Program PWSCF v.5.4.0 starts on 12Feb2017 at 2:41: 5 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 & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 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: ./H3C5I2N.save/ file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group 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 104 58 17 3352 1402 220 Max 106 59 18 3354 1427 222 Sum 3763 2117 615 120713 50975 7943 bravais-lattice index = 14 lattice parameter (alat) = 17.3110 a.u. unit-cell volume = 1209.8421 (a.u.)^3 number of atoms/cell = 11 number of atomic types = 4 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 17.311045 celldm(2)= 0.988156 celldm(3)= 0.502275 celldm(4)= 0.230427 celldm(5)= 0.274578 celldm(6)= 0.872419 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.862086 0.482970 0.000000 ) a(3) = ( 0.137914 -0.009372 0.482879 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.784968 -0.320252 ) b(2) = ( 0.000000 2.070521 0.040188 ) b(3) = ( 0.000000 0.000000 2.070911 ) 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 I read from file: /users/gautes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 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 1247 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 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. # 4 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 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) I 7.00 126.90450 I( 1.00) C 4.00 12.01070 C( 1.00) N 5.00 14.00670 N( 1.00) No symmetry 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 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E Cartesian axes number of k points= 365 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027397 k( 2) = ( 0.0106383 -0.0189890 0.0186240), wk = 0.0027397 k( 3) = ( 0.0212766 -0.0379781 0.0372481), wk = 0.0027397 k( 4) = ( 0.0319149 -0.0569671 0.0558721), wk = 0.0027397 k( 5) = ( 0.0425532 -0.0759561 0.0744961), wk = 0.0027397 k( 6) = ( 0.0531915 -0.0949451 0.0931202), wk = 0.0027397 k( 7) = ( 0.0638298 -0.1139341 0.1117442), wk = 0.0027397 k( 8) = ( 0.0744681 -0.1329232 0.1303682), wk = 0.0027397 k( 9) = ( 0.0851064 -0.1519122 0.1489923), wk = 0.0027397 k( 10) = ( 0.0957447 -0.1709012 0.1676163), wk = 0.0027397 k( 11) = ( 0.1063830 -0.1898902 0.1862403), wk = 0.0027397 k( 12) = ( 0.1170213 -0.2088793 0.2048644), wk = 0.0027397 k( 13) = ( 0.1276596 -0.2278683 0.2234884), wk = 0.0027397 k( 14) = ( 0.1382979 -0.2468573 0.2421124), wk = 0.0027397 k( 15) = ( 0.1489362 -0.2658463 0.2607364), wk = 0.0027397 k( 16) = ( 0.1595745 -0.2848354 0.2793605), wk = 0.0027397 k( 17) = ( 0.1702128 -0.3038244 0.2979845), wk = 0.0027397 k( 18) = ( 0.1808511 -0.3228134 0.3166085), wk = 0.0027397 k( 19) = ( 0.1914894 -0.3418024 0.3352326), wk = 0.0027397 k( 20) = ( 0.2021277 -0.3607915 0.3538566), wk = 0.0027397 k( 21) = ( 0.2127660 -0.3797805 0.3724806), wk = 0.0027397 k( 22) = ( 0.2234043 -0.3987695 0.3911047), wk = 0.0027397 k( 23) = ( 0.2340425 -0.4177585 0.4097287), wk = 0.0027397 k( 24) = ( 0.2446809 -0.4367475 0.4283527), wk = 0.0027397 k( 25) = ( 0.2553191 -0.4557366 0.4469768), wk = 0.0027397 k( 26) = ( 0.2659574 -0.4747256 0.4656008), wk = 0.0027397 k( 27) = ( 0.2765957 -0.4937146 0.4842248), wk = 0.0027397 k( 28) = ( 0.2872340 -0.5127036 0.5028489), wk = 0.0027397 k( 29) = ( 0.2978723 -0.5316927 0.5214729), wk = 0.0027397 k( 30) = ( 0.3085106 -0.5506817 0.5400969), wk = 0.0027397 k( 31) = ( 0.3191489 -0.5696707 0.5587210), wk = 0.0027397 k( 32) = ( 0.3297872 -0.5886597 0.5773450), wk = 0.0027397 k( 33) = ( 0.3404255 -0.6076488 0.5959690), wk = 0.0027397 k( 34) = ( 0.3510638 -0.6266378 0.6145931), wk = 0.0027397 k( 35) = ( 0.3617021 -0.6456268 0.6332171), wk = 0.0027397 k( 36) = ( 0.3723404 -0.6646158 0.6518411), wk = 0.0027397 k( 37) = ( 0.3829787 -0.6836049 0.6704651), wk = 0.0027397 k( 38) = ( 0.3936170 -0.7025939 0.6890892), wk = 0.0027397 k( 39) = ( 0.4042553 -0.7215829 0.7077132), wk = 0.0027397 k( 40) = ( 0.4148936 -0.7405719 0.7263373), wk = 0.0027397 k( 41) = ( 0.4255319 -0.7595609 0.7449613), wk = 0.0027397 k( 42) = ( 0.4361702 -0.7785500 0.7635853), wk = 0.0027397 k( 43) = ( 0.4468085 -0.7975390 0.7822093), wk = 0.0027397 k( 44) = ( 0.4574468 -0.8165280 0.8008334), wk = 0.0027397 k( 45) = ( 0.4680851 -0.8355171 0.8194574), wk = 0.0027397 k( 46) = ( 0.4787234 -0.8545061 0.8380814), wk = 0.0027397 k( 47) = ( 0.4893617 -0.8734951 0.8567055), wk = 0.0027397 k( 48) = ( 0.5000000 -0.8924841 0.8753295), wk = 0.0027397 k( 49) = ( 0.5000000 -0.8924841 0.8753295), wk = 0.0027397 k( 50) = ( 0.5263158 -0.8849696 0.8679594), wk = 0.0027397 k( 51) = ( 0.5526316 -0.8774550 0.8605893), wk = 0.0027397 k( 52) = ( 0.5789474 -0.8699405 0.8532192), wk = 0.0027397 k( 53) = ( 0.6052632 -0.8624259 0.8458491), wk = 0.0027397 k( 54) = ( 0.6315789 -0.8549114 0.8384789), wk = 0.0027397 k( 55) = ( 0.6578947 -0.8473968 0.8311088), wk = 0.0027397 k( 56) = ( 0.6842105 -0.8398823 0.8237387), wk = 0.0027397 k( 57) = ( 0.7105263 -0.8323677 0.8163686), wk = 0.0027397 k( 58) = ( 0.7368421 -0.8248532 0.8089985), wk = 0.0027397 k( 59) = ( 0.7631579 -0.8173386 0.8016284), wk = 0.0027397 k( 60) = ( 0.7894737 -0.8098241 0.7942583), wk = 0.0027397 k( 61) = ( 0.8157895 -0.8023095 0.7868882), wk = 0.0027397 k( 62) = ( 0.8421053 -0.7947950 0.7795180), wk = 0.0027397 k( 63) = ( 0.8684211 -0.7872804 0.7721479), wk = 0.0027397 k( 64) = ( 0.8947368 -0.7797659 0.7647778), wk = 0.0027397 k( 65) = ( 0.9210526 -0.7722513 0.7574077), wk = 0.0027397 k( 66) = ( 0.9473684 -0.7647368 0.7500376), wk = 0.0027397 k( 67) = ( 0.9736842 -0.7572222 0.7426675), wk = 0.0027397 k( 68) = ( 1.0000000 -0.7497076 0.7352974), wk = 0.0027397 k( 69) = ( 1.0000000 -0.7497076 0.7352974), wk = 0.0027397 k( 70) = ( 0.9893617 -0.7307186 0.7166733), wk = 0.0027397 k( 71) = ( 0.9787234 -0.7117296 0.6980493), wk = 0.0027397 k( 72) = ( 0.9680851 -0.6927406 0.6794253), wk = 0.0027397 k( 73) = ( 0.9574468 -0.6737516 0.6608012), wk = 0.0027397 k( 74) = ( 0.9468085 -0.6547625 0.6421772), wk = 0.0027397 k( 75) = ( 0.9361702 -0.6357735 0.6235532), wk = 0.0027397 k( 76) = ( 0.9255319 -0.6167845 0.6049291), wk = 0.0027397 k( 77) = ( 0.9148936 -0.5977955 0.5863051), wk = 0.0027397 k( 78) = ( 0.9042553 -0.5788064 0.5676811), wk = 0.0027397 k( 79) = ( 0.8936170 -0.5598174 0.5490570), wk = 0.0027397 k( 80) = ( 0.8829787 -0.5408284 0.5304330), wk = 0.0027397 k( 81) = ( 0.8723404 -0.5218394 0.5118090), wk = 0.0027397 k( 82) = ( 0.8617021 -0.5028503 0.4931850), wk = 0.0027397 k( 83) = ( 0.8510638 -0.4838613 0.4745609), wk = 0.0027397 k( 84) = ( 0.8404255 -0.4648723 0.4559369), wk = 0.0027397 k( 85) = ( 0.8297872 -0.4458833 0.4373128), wk = 0.0027397 k( 86) = ( 0.8191489 -0.4268942 0.4186888), wk = 0.0027397 k( 87) = ( 0.8085106 -0.4079052 0.4000648), wk = 0.0027397 k( 88) = ( 0.7978723 -0.3889162 0.3814408), wk = 0.0027397 k( 89) = ( 0.7872340 -0.3699272 0.3628167), wk = 0.0027397 k( 90) = ( 0.7765957 -0.3509381 0.3441927), wk = 0.0027397 k( 91) = ( 0.7659575 -0.3319491 0.3255687), wk = 0.0027397 k( 92) = ( 0.7553192 -0.3129601 0.3069446), wk = 0.0027397 k( 93) = ( 0.7446808 -0.2939711 0.2883206), wk = 0.0027397 k( 94) = ( 0.7340425 -0.2749820 0.2696966), wk = 0.0027397 k( 95) = ( 0.7234043 -0.2559930 0.2510725), wk = 0.0027397 k( 96) = ( 0.7127660 -0.2370040 0.2324485), wk = 0.0027397 k( 97) = ( 0.7021277 -0.2180150 0.2138245), wk = 0.0027397 k( 98) = ( 0.6914894 -0.1990260 0.1952004), wk = 0.0027397 k( 99) = ( 0.6808511 -0.1800369 0.1765764), wk = 0.0027397 k( 100) = ( 0.6702128 -0.1610479 0.1579524), wk = 0.0027397 k( 101) = ( 0.6595745 -0.1420589 0.1393283), wk = 0.0027397 k( 102) = ( 0.6489362 -0.1230699 0.1207043), wk = 0.0027397 k( 103) = ( 0.6382979 -0.1040808 0.1020803), wk = 0.0027397 k( 104) = ( 0.6276596 -0.0850918 0.0834562), wk = 0.0027397 k( 105) = ( 0.6170213 -0.0661028 0.0648322), wk = 0.0027397 k( 106) = ( 0.6063830 -0.0471138 0.0462082), wk = 0.0027397 k( 107) = ( 0.5957447 -0.0281247 0.0275841), wk = 0.0027397 k( 108) = ( 0.5851064 -0.0091357 0.0089601), wk = 0.0027397 k( 109) = ( 0.5744681 0.0098533 -0.0096639), wk = 0.0027397 k( 110) = ( 0.5638298 0.0288423 -0.0282879), wk = 0.0027397 k( 111) = ( 0.5531915 0.0478314 -0.0469120), wk = 0.0027397 k( 112) = ( 0.5425532 0.0668204 -0.0655360), wk = 0.0027397 k( 113) = ( 0.5319149 0.0858094 -0.0841600), wk = 0.0027397 k( 114) = ( 0.5212766 0.1047984 -0.1027841), wk = 0.0027397 k( 115) = ( 0.5106383 0.1237874 -0.1214081), wk = 0.0027397 k( 116) = ( 0.5000000 0.1427765 -0.1400321), wk = 0.0027397 k( 117) = ( 0.5000000 0.1427765 -0.1400321), wk = 0.0027397 k( 118) = ( 0.4736842 0.1352619 -0.1326620), wk = 0.0027397 k( 119) = ( 0.4473684 0.1277474 -0.1252919), wk = 0.0027397 k( 120) = ( 0.4210526 0.1202328 -0.1179218), wk = 0.0027397 k( 121) = ( 0.3947368 0.1127183 -0.1105517), wk = 0.0027397 k( 122) = ( 0.3684211 0.1052037 -0.1031816), wk = 0.0027397 k( 123) = ( 0.3421053 0.0976892 -0.0958115), wk = 0.0027397 k( 124) = ( 0.3157895 0.0901746 -0.0884414), wk = 0.0027397 k( 125) = ( 0.2894737 0.0826601 -0.0810712), wk = 0.0027397 k( 126) = ( 0.2631579 0.0751455 -0.0737011), wk = 0.0027397 k( 127) = ( 0.2368421 0.0676310 -0.0663310), wk = 0.0027397 k( 128) = ( 0.2105263 0.0601164 -0.0589609), wk = 0.0027397 k( 129) = ( 0.1842105 0.0526019 -0.0515908), wk = 0.0027397 k( 130) = ( 0.1578947 0.0450873 -0.0442207), wk = 0.0027397 k( 131) = ( 0.1315790 0.0375728 -0.0368506), wk = 0.0027397 k( 132) = ( 0.1052632 0.0300582 -0.0294805), wk = 0.0027397 k( 133) = ( 0.0789474 0.0225437 -0.0221103), wk = 0.0027397 k( 134) = ( 0.0526316 0.0150291 -0.0147402), wk = 0.0027397 k( 135) = ( 0.0263158 0.0075146 -0.0073701), wk = 0.0027397 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027397 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027397 k( 138) = ( 0.0000000 0.0203111 0.0207091), wk = 0.0027397 k( 139) = ( 0.0000000 0.0406221 0.0414182), wk = 0.0027397 k( 140) = ( 0.0000000 0.0609332 0.0621273), wk = 0.0027397 k( 141) = ( 0.0000000 0.0812442 0.0828364), wk = 0.0027397 k( 142) = ( 0.0000000 0.1015553 0.1035456), wk = 0.0027397 k( 143) = ( 0.0000000 0.1218663 0.1242547), wk = 0.0027397 k( 144) = ( 0.0000000 0.1421774 0.1449638), wk = 0.0027397 k( 145) = ( 0.0000000 0.1624885 0.1656729), wk = 0.0027397 k( 146) = ( 0.0000000 0.1827995 0.1863820), wk = 0.0027397 k( 147) = ( 0.0000000 0.2031106 0.2070911), wk = 0.0027397 k( 148) = ( 0.0000000 0.2234216 0.2278002), wk = 0.0027397 k( 149) = ( 0.0000000 0.2437327 0.2485093), wk = 0.0027397 k( 150) = ( 0.0000000 0.2640438 0.2692185), wk = 0.0027397 k( 151) = ( 0.0000000 0.2843548 0.2899276), wk = 0.0027397 k( 152) = ( 0.0000000 0.3046659 0.3106367), wk = 0.0027397 k( 153) = ( 0.0000000 0.3249769 0.3313458), wk = 0.0027397 k( 154) = ( 0.0000000 0.3452880 0.3520549), wk = 0.0027397 k( 155) = ( 0.0000000 0.3655990 0.3727640), wk = 0.0027397 k( 156) = ( 0.0000000 0.3859101 0.3934731), wk = 0.0027397 k( 157) = ( 0.0000000 0.4062212 0.4141822), wk = 0.0027397 k( 158) = ( 0.0000000 0.4265322 0.4348913), wk = 0.0027397 k( 159) = ( 0.0000000 0.4468433 0.4556005), wk = 0.0027397 k( 160) = ( 0.0000000 0.4671543 0.4763096), wk = 0.0027397 k( 161) = ( 0.0000000 0.4874654 0.4970187), wk = 0.0027397 k( 162) = ( 0.0000000 0.5077764 0.5177278), wk = 0.0027397 k( 163) = ( 0.0000000 0.5280875 0.5384369), wk = 0.0027397 k( 164) = ( 0.0000000 0.5483986 0.5591460), wk = 0.0027397 k( 165) = ( 0.0000000 0.5687096 0.5798551), wk = 0.0027397 k( 166) = ( 0.0000000 0.5890207 0.6005642), wk = 0.0027397 k( 167) = ( 0.0000000 0.6093317 0.6212734), wk = 0.0027397 k( 168) = ( 0.0000000 0.6296428 0.6419825), wk = 0.0027397 k( 169) = ( 0.0000000 0.6499538 0.6626916), wk = 0.0027397 k( 170) = ( 0.0000000 0.6702649 0.6834007), wk = 0.0027397 k( 171) = ( 0.0000000 0.6905760 0.7041098), wk = 0.0027397 k( 172) = ( 0.0000000 0.7108870 0.7248189), wk = 0.0027397 k( 173) = ( 0.0000000 0.7311981 0.7455280), wk = 0.0027397 k( 174) = ( 0.0000000 0.7515091 0.7662371), wk = 0.0027397 k( 175) = ( 0.0000000 0.7718202 0.7869462), wk = 0.0027397 k( 176) = ( 0.0000000 0.7921313 0.8076554), wk = 0.0027397 k( 177) = ( 0.0000000 0.8124423 0.8283645), wk = 0.0027397 k( 178) = ( 0.0000000 0.8327534 0.8490736), wk = 0.0027397 k( 179) = ( 0.0000000 0.8530644 0.8697827), wk = 0.0027397 k( 180) = ( 0.0000000 0.8733755 0.8904918), wk = 0.0027397 k( 181) = ( 0.0000000 0.8936865 0.9112009), wk = 0.0027397 k( 182) = ( 0.0000000 0.9139976 0.9319100), wk = 0.0027397 k( 183) = ( 0.0000000 0.9343087 0.9526191), wk = 0.0027397 k( 184) = ( 0.0000000 0.9546197 0.9733283), wk = 0.0027397 k( 185) = ( 0.0000000 0.9749308 0.9940374), wk = 0.0027397 k( 186) = ( 0.0000000 0.9952418 1.0147465), wk = 0.0027397 k( 187) = ( 0.0000000 1.0155529 1.0354556), wk = 0.0027397 k( 188) = ( 0.0000000 1.0155529 1.0354556), wk = 0.0027397 k( 189) = ( 0.0079365 0.9877594 1.0354556), wk = 0.0027397 k( 190) = ( 0.0158730 0.9599659 1.0354556), wk = 0.0027397 k( 191) = ( 0.0238095 0.9321725 1.0354556), wk = 0.0027397 k( 192) = ( 0.0317460 0.9043790 1.0354556), wk = 0.0027397 k( 193) = ( 0.0396825 0.8765855 1.0354556), wk = 0.0027397 k( 194) = ( 0.0476191 0.8487921 1.0354556), wk = 0.0027397 k( 195) = ( 0.0555556 0.8209986 1.0354556), wk = 0.0027397 k( 196) = ( 0.0634921 0.7932051 1.0354556), wk = 0.0027397 k( 197) = ( 0.0714286 0.7654116 1.0354556), wk = 0.0027397 k( 198) = ( 0.0793651 0.7376182 1.0354556), wk = 0.0027397 k( 199) = ( 0.0873016 0.7098247 1.0354556), wk = 0.0027397 k( 200) = ( 0.0952381 0.6820312 1.0354556), wk = 0.0027397 k( 201) = ( 0.1031746 0.6542378 1.0354556), wk = 0.0027397 k( 202) = ( 0.1111111 0.6264443 1.0354556), wk = 0.0027397 k( 203) = ( 0.1190476 0.5986508 1.0354556), wk = 0.0027397 k( 204) = ( 0.1269841 0.5708573 1.0354556), wk = 0.0027397 k( 205) = ( 0.1349206 0.5430639 1.0354556), wk = 0.0027397 k( 206) = ( 0.1428571 0.5152704 1.0354556), wk = 0.0027397 k( 207) = ( 0.1507937 0.4874769 1.0354556), wk = 0.0027397 k( 208) = ( 0.1587302 0.4596834 1.0354556), wk = 0.0027397 k( 209) = ( 0.1666667 0.4318900 1.0354556), wk = 0.0027397 k( 210) = ( 0.1746032 0.4040965 1.0354556), wk = 0.0027397 k( 211) = ( 0.1825397 0.3763030 1.0354556), wk = 0.0027397 k( 212) = ( 0.1904762 0.3485095 1.0354556), wk = 0.0027397 k( 213) = ( 0.1984127 0.3207161 1.0354556), wk = 0.0027397 k( 214) = ( 0.2063492 0.2929226 1.0354556), wk = 0.0027397 k( 215) = ( 0.2142857 0.2651292 1.0354556), wk = 0.0027397 k( 216) = ( 0.2222222 0.2373357 1.0354556), wk = 0.0027397 k( 217) = ( 0.2301587 0.2095422 1.0354556), wk = 0.0027397 k( 218) = ( 0.2380952 0.1817487 1.0354556), wk = 0.0027397 k( 219) = ( 0.2460317 0.1539552 1.0354556), wk = 0.0027397 k( 220) = ( 0.2539683 0.1261618 1.0354556), wk = 0.0027397 k( 221) = ( 0.2619048 0.0983683 1.0354556), wk = 0.0027397 k( 222) = ( 0.2698413 0.0705748 1.0354556), wk = 0.0027397 k( 223) = ( 0.2777778 0.0427814 1.0354556), wk = 0.0027397 k( 224) = ( 0.2857143 0.0149879 1.0354556), wk = 0.0027397 k( 225) = ( 0.2936508 -0.0128056 1.0354556), wk = 0.0027397 k( 226) = ( 0.3015873 -0.0405991 1.0354556), wk = 0.0027397 k( 227) = ( 0.3095238 -0.0683925 1.0354556), wk = 0.0027397 k( 228) = ( 0.3174603 -0.0961860 1.0354556), wk = 0.0027397 k( 229) = ( 0.3253968 -0.1239795 1.0354556), wk = 0.0027397 k( 230) = ( 0.3333333 -0.1517729 1.0354556), wk = 0.0027397 k( 231) = ( 0.3412698 -0.1795664 1.0354556), wk = 0.0027397 k( 232) = ( 0.3492063 -0.2073599 1.0354556), wk = 0.0027397 k( 233) = ( 0.3571429 -0.2351534 1.0354556), wk = 0.0027397 k( 234) = ( 0.3650794 -0.2629468 1.0354556), wk = 0.0027397 k( 235) = ( 0.3730159 -0.2907403 1.0354556), wk = 0.0027397 k( 236) = ( 0.3809524 -0.3185338 1.0354556), wk = 0.0027397 k( 237) = ( 0.3888889 -0.3463273 1.0354556), wk = 0.0027397 k( 238) = ( 0.3968254 -0.3741207 1.0354556), wk = 0.0027397 k( 239) = ( 0.4047619 -0.4019142 1.0354556), wk = 0.0027397 k( 240) = ( 0.4126984 -0.4297077 1.0354556), wk = 0.0027397 k( 241) = ( 0.4206349 -0.4575011 1.0354556), wk = 0.0027397 k( 242) = ( 0.4285714 -0.4852946 1.0354556), wk = 0.0027397 k( 243) = ( 0.4365079 -0.5130881 1.0354556), wk = 0.0027397 k( 244) = ( 0.4444444 -0.5408815 1.0354556), wk = 0.0027397 k( 245) = ( 0.4523810 -0.5686750 1.0354556), wk = 0.0027397 k( 246) = ( 0.4603175 -0.5964685 1.0354556), wk = 0.0027397 k( 247) = ( 0.4682540 -0.6242620 1.0354556), wk = 0.0027397 k( 248) = ( 0.4761905 -0.6520554 1.0354556), wk = 0.0027397 k( 249) = ( 0.4841270 -0.6798489 1.0354556), wk = 0.0027397 k( 250) = ( 0.4920635 -0.7076424 1.0354556), wk = 0.0027397 k( 251) = ( 0.5000000 -0.7354359 1.0354556), wk = 0.0027397 k( 252) = ( 0.5000000 -0.7354359 1.0354556), wk = 0.0027397 k( 253) = ( 0.5000000 -0.7550669 1.0154398), wk = 0.0027397 k( 254) = ( 0.5000000 -0.7746979 0.9954241), wk = 0.0027397 k( 255) = ( 0.5000000 -0.7943290 0.9754083), wk = 0.0027397 k( 256) = ( 0.5000000 -0.8139600 0.9553925), wk = 0.0027397 k( 257) = ( 0.5000000 -0.8335910 0.9353768), wk = 0.0027397 k( 258) = ( 0.5000000 -0.8532221 0.9153610), wk = 0.0027397 k( 259) = ( 0.5000000 -0.8728531 0.8953453), wk = 0.0027397 k( 260) = ( 0.5000000 -0.8924841 0.8753295), wk = 0.0027397 k( 261) = ( 1.0000000 -0.7497076 0.7352974), wk = 0.0027397 k( 262) = ( 1.0000000 -0.7299999 0.7553913), wk = 0.0027397 k( 263) = ( 0.0000000 1.0155529 1.0354556), wk = 0.0027397 k( 264) = ( 0.0250000 1.0158247 1.0214524), wk = 0.0027397 k( 265) = ( 0.0500000 1.0160965 1.0074492), wk = 0.0027397 k( 266) = ( 0.0750000 1.0163683 0.9934460), wk = 0.0027397 k( 267) = ( 0.1000000 1.0166401 0.9794427), wk = 0.0027397 k( 268) = ( 0.1250000 1.0169119 0.9654395), wk = 0.0027397 k( 269) = ( 0.1500000 1.0171837 0.9514363), wk = 0.0027397 k( 270) = ( 0.1750000 1.0174555 0.9374331), wk = 0.0027397 k( 271) = ( 0.2000000 1.0177273 0.9234299), wk = 0.0027397 k( 272) = ( 0.2250000 1.0179991 0.9094267), wk = 0.0027397 k( 273) = ( 0.2500000 1.0182709 0.8954234), wk = 0.0027397 k( 274) = ( 0.2750000 1.0185426 0.8814202), wk = 0.0027397 k( 275) = ( 0.3000000 1.0188144 0.8674170), wk = 0.0027397 k( 276) = ( 0.3250000 1.0190862 0.8534138), wk = 0.0027397 k( 277) = ( 0.3500000 1.0193580 0.8394106), wk = 0.0027397 k( 278) = ( 0.3750000 1.0196298 0.8254074), wk = 0.0027397 k( 279) = ( 0.4000000 1.0199016 0.8114042), wk = 0.0027397 k( 280) = ( 0.4250000 1.0201734 0.7974009), wk = 0.0027397 k( 281) = ( 0.4500000 1.0204452 0.7833977), wk = 0.0027397 k( 282) = ( 0.4750000 1.0207170 0.7693945), wk = 0.0027397 k( 283) = ( 0.5000000 1.0209888 0.7553913), wk = 0.0027397 k( 284) = ( 0.5000000 1.0209888 0.7553913), wk = 0.0027397 k( 285) = ( 0.5000000 1.0010294 0.7350408), wk = 0.0027397 k( 286) = ( 0.5000000 0.9810701 0.7146902), wk = 0.0027397 k( 287) = ( 0.5000000 0.9611107 0.6943397), wk = 0.0027397 k( 288) = ( 0.5000000 0.9411513 0.6739892), wk = 0.0027397 k( 289) = ( 0.5000000 0.9211920 0.6536386), wk = 0.0027397 k( 290) = ( 0.5000000 0.9012326 0.6332881), wk = 0.0027397 k( 291) = ( 0.5000000 0.8812732 0.6129376), wk = 0.0027397 k( 292) = ( 0.5000000 0.8613138 0.5925870), wk = 0.0027397 k( 293) = ( 0.5000000 0.8413545 0.5722365), wk = 0.0027397 k( 294) = ( 0.5000000 0.8213951 0.5518860), wk = 0.0027397 k( 295) = ( 0.5000000 0.8014357 0.5315354), wk = 0.0027397 k( 296) = ( 0.5000000 0.7814764 0.5111849), wk = 0.0027397 k( 297) = ( 0.5000000 0.7615170 0.4908344), wk = 0.0027397 k( 298) = ( 0.5000000 0.7415576 0.4704839), wk = 0.0027397 k( 299) = ( 0.5000000 0.7215982 0.4501333), wk = 0.0027397 k( 300) = ( 0.5000000 0.7016389 0.4297828), wk = 0.0027397 k( 301) = ( 0.5000000 0.6816795 0.4094322), wk = 0.0027397 k( 302) = ( 0.5000000 0.6617201 0.3890817), wk = 0.0027397 k( 303) = ( 0.5000000 0.6417608 0.3687312), wk = 0.0027397 k( 304) = ( 0.5000000 0.6218014 0.3483807), wk = 0.0027397 k( 305) = ( 0.5000000 0.6018420 0.3280301), wk = 0.0027397 k( 306) = ( 0.5000000 0.5818826 0.3076796), wk = 0.0027397 k( 307) = ( 0.5000000 0.5619233 0.2873290), wk = 0.0027397 k( 308) = ( 0.5000000 0.5419639 0.2669785), wk = 0.0027397 k( 309) = ( 0.5000000 0.5220045 0.2466280), wk = 0.0027397 k( 310) = ( 0.5000000 0.5020452 0.2262774), wk = 0.0027397 k( 311) = ( 0.5000000 0.4820858 0.2059269), wk = 0.0027397 k( 312) = ( 0.5000000 0.4621264 0.1855764), wk = 0.0027397 k( 313) = ( 0.5000000 0.4421670 0.1652259), wk = 0.0027397 k( 314) = ( 0.5000000 0.4222077 0.1448753), wk = 0.0027397 k( 315) = ( 0.5000000 0.4022483 0.1245248), wk = 0.0027397 k( 316) = ( 0.5000000 0.3822889 0.1041742), wk = 0.0027397 k( 317) = ( 0.5000000 0.3623296 0.0838237), wk = 0.0027397 k( 318) = ( 0.5000000 0.3423702 0.0634732), wk = 0.0027397 k( 319) = ( 0.5000000 0.3224108 0.0431227), wk = 0.0027397 k( 320) = ( 0.5000000 0.3024514 0.0227721), wk = 0.0027397 k( 321) = ( 0.5000000 0.2824921 0.0024216), wk = 0.0027397 k( 322) = ( 0.5000000 0.2625327 -0.0179289), wk = 0.0027397 k( 323) = ( 0.5000000 0.2425733 -0.0382795), wk = 0.0027397 k( 324) = ( 0.5000000 0.2226139 -0.0586300), wk = 0.0027397 k( 325) = ( 0.5000000 0.2026546 -0.0789805), wk = 0.0027397 k( 326) = ( 0.5000000 0.1826952 -0.0993311), wk = 0.0027397 k( 327) = ( 0.5000000 0.1627358 -0.1196816), wk = 0.0027397 k( 328) = ( 0.5000000 0.1427765 -0.1400321), wk = 0.0027397 k( 329) = ( 0.5000000 0.1427765 0.8954234), wk = 0.0027397 k( 330) = ( 0.4861111 0.1388105 0.8705506), wk = 0.0027397 k( 331) = ( 0.4722222 0.1348444 0.8456777), wk = 0.0027397 k( 332) = ( 0.4583333 0.1308784 0.8208048), wk = 0.0027397 k( 333) = ( 0.4444444 0.1269124 0.7959319), wk = 0.0027397 k( 334) = ( 0.4305556 0.1229464 0.7710591), wk = 0.0027397 k( 335) = ( 0.4166667 0.1189804 0.7461862), wk = 0.0027397 k( 336) = ( 0.4027778 0.1150144 0.7213133), wk = 0.0027397 k( 337) = ( 0.3888889 0.1110484 0.6964405), wk = 0.0027397 k( 338) = ( 0.3750000 0.1070824 0.6715676), wk = 0.0027397 k( 339) = ( 0.3611111 0.1031163 0.6466947), wk = 0.0027397 k( 340) = ( 0.3472222 0.0991503 0.6218218), wk = 0.0027397 k( 341) = ( 0.3333333 0.0951843 0.5969490), wk = 0.0027397 k( 342) = ( 0.3194444 0.0912183 0.5720761), wk = 0.0027397 k( 343) = ( 0.3055556 0.0872523 0.5472032), wk = 0.0027397 k( 344) = ( 0.2916667 0.0832863 0.5223303), wk = 0.0027397 k( 345) = ( 0.2777778 0.0793203 0.4974575), wk = 0.0027397 k( 346) = ( 0.2638889 0.0753543 0.4725846), wk = 0.0027397 k( 347) = ( 0.2500000 0.0713882 0.4477117), wk = 0.0027397 k( 348) = ( 0.2361111 0.0674222 0.4228388), wk = 0.0027397 k( 349) = ( 0.2222222 0.0634562 0.3979660), wk = 0.0027397 k( 350) = ( 0.2083333 0.0594902 0.3730931), wk = 0.0027397 k( 351) = ( 0.1944444 0.0555242 0.3482202), wk = 0.0027397 k( 352) = ( 0.1805556 0.0515582 0.3233474), wk = 0.0027397 k( 353) = ( 0.1666667 0.0475922 0.2984745), wk = 0.0027397 k( 354) = ( 0.1527778 0.0436261 0.2736016), wk = 0.0027397 k( 355) = ( 0.1388889 0.0396601 0.2487287), wk = 0.0027397 k( 356) = ( 0.1250000 0.0356941 0.2238559), wk = 0.0027397 k( 357) = ( 0.1111111 0.0317281 0.1989830), wk = 0.0027397 k( 358) = ( 0.0972222 0.0277621 0.1741101), wk = 0.0027397 k( 359) = ( 0.0833333 0.0237961 0.1492372), wk = 0.0027397 k( 360) = ( 0.0694444 0.0198301 0.1243644), wk = 0.0027397 k( 361) = ( 0.0555556 0.0158641 0.0994915), wk = 0.0027397 k( 362) = ( 0.0416667 0.0118980 0.0746186), wk = 0.0027397 k( 363) = ( 0.0277778 0.0079320 0.0497458), wk = 0.0027397 k( 364) = ( 0.0138889 0.0039660 0.0248729), wk = 0.0027397 k( 365) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027397 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027397 k( 2) = ( 0.0106383 0.0000000 0.0106383), wk = 0.0027397 k( 3) = ( 0.0212766 0.0000000 0.0212766), wk = 0.0027397 k( 4) = ( 0.0319149 0.0000000 0.0319149), wk = 0.0027397 k( 5) = ( 0.0425532 0.0000000 0.0425532), wk = 0.0027397 k( 6) = ( 0.0531915 0.0000000 0.0531915), wk = 0.0027397 k( 7) = ( 0.0638298 0.0000000 0.0638298), wk = 0.0027397 k( 8) = ( 0.0744681 0.0000000 0.0744681), wk = 0.0027397 k( 9) = ( 0.0851064 0.0000000 0.0851064), wk = 0.0027397 k( 10) = ( 0.0957447 0.0000000 0.0957447), wk = 0.0027397 k( 11) = ( 0.1063830 0.0000000 0.1063830), wk = 0.0027397 k( 12) = ( 0.1170213 0.0000000 0.1170213), wk = 0.0027397 k( 13) = ( 0.1276596 0.0000000 0.1276596), wk = 0.0027397 k( 14) = ( 0.1382979 0.0000000 0.1382979), wk = 0.0027397 k( 15) = ( 0.1489362 0.0000000 0.1489362), wk = 0.0027397 k( 16) = ( 0.1595745 0.0000000 0.1595745), wk = 0.0027397 k( 17) = ( 0.1702128 -0.0000000 0.1702128), wk = 0.0027397 k( 18) = ( 0.1808511 0.0000000 0.1808511), wk = 0.0027397 k( 19) = ( 0.1914894 0.0000000 0.1914894), wk = 0.0027397 k( 20) = ( 0.2021277 0.0000000 0.2021277), wk = 0.0027397 k( 21) = ( 0.2127660 0.0000000 0.2127660), wk = 0.0027397 k( 22) = ( 0.2234043 0.0000000 0.2234043), wk = 0.0027397 k( 23) = ( 0.2340425 0.0000000 0.2340425), wk = 0.0027397 k( 24) = ( 0.2446809 0.0000000 0.2446809), wk = 0.0027397 k( 25) = ( 0.2553191 -0.0000000 0.2553191), wk = 0.0027397 k( 26) = ( 0.2659574 0.0000000 0.2659574), wk = 0.0027397 k( 27) = ( 0.2765957 0.0000000 0.2765957), wk = 0.0027397 k( 28) = ( 0.2872340 0.0000000 0.2872340), wk = 0.0027397 k( 29) = ( 0.2978723 0.0000000 0.2978723), wk = 0.0027397 k( 30) = ( 0.3085106 0.0000000 0.3085106), wk = 0.0027397 k( 31) = ( 0.3191489 0.0000000 0.3191489), wk = 0.0027397 k( 32) = ( 0.3297872 0.0000000 0.3297872), wk = 0.0027397 k( 33) = ( 0.3404255 0.0000000 0.3404255), wk = 0.0027397 k( 34) = ( 0.3510638 0.0000000 0.3510638), wk = 0.0027397 k( 35) = ( 0.3617021 0.0000000 0.3617021), wk = 0.0027397 k( 36) = ( 0.3723404 0.0000000 0.3723404), wk = 0.0027397 k( 37) = ( 0.3829787 0.0000000 0.3829787), wk = 0.0027397 k( 38) = ( 0.3936170 -0.0000000 0.3936170), wk = 0.0027397 k( 39) = ( 0.4042553 0.0000000 0.4042553), wk = 0.0027397 k( 40) = ( 0.4148936 0.0000000 0.4148936), wk = 0.0027397 k( 41) = ( 0.4255319 0.0000000 0.4255319), wk = 0.0027397 k( 42) = ( 0.4361702 0.0000000 0.4361702), wk = 0.0027397 k( 43) = ( 0.4468085 0.0000000 0.4468085), wk = 0.0027397 k( 44) = ( 0.4574468 0.0000000 0.4574468), wk = 0.0027397 k( 45) = ( 0.4680851 0.0000000 0.4680851), wk = 0.0027397 k( 46) = ( 0.4787234 0.0000000 0.4787234), wk = 0.0027397 k( 47) = ( 0.4893617 0.0000000 0.4893617), wk = 0.0027397 k( 48) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027397 k( 49) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027397 k( 50) = ( 0.5263158 0.0263158 0.5000000), wk = 0.0027397 k( 51) = ( 0.5526316 0.0526316 0.5000000), wk = 0.0027397 k( 52) = ( 0.5789474 0.0789474 0.5000000), wk = 0.0027397 k( 53) = ( 0.6052632 0.1052632 0.5000000), wk = 0.0027397 k( 54) = ( 0.6315789 0.1315790 0.5000000), wk = 0.0027397 k( 55) = ( 0.6578947 0.1578947 0.5000000), wk = 0.0027397 k( 56) = ( 0.6842105 0.1842105 0.5000000), wk = 0.0027397 k( 57) = ( 0.7105263 0.2105263 0.5000000), wk = 0.0027397 k( 58) = ( 0.7368421 0.2368421 0.5000000), wk = 0.0027397 k( 59) = ( 0.7631579 0.2631579 0.5000000), wk = 0.0027397 k( 60) = ( 0.7894737 0.2894737 0.5000000), wk = 0.0027397 k( 61) = ( 0.8157895 0.3157895 0.5000000), wk = 0.0027397 k( 62) = ( 0.8421053 0.3421053 0.5000000), wk = 0.0027397 k( 63) = ( 0.8684211 0.3684211 0.5000000), wk = 0.0027397 k( 64) = ( 0.8947368 0.3947368 0.5000000), wk = 0.0027397 k( 65) = ( 0.9210526 0.4210526 0.5000000), wk = 0.0027397 k( 66) = ( 0.9473684 0.4473684 0.5000000), wk = 0.0027397 k( 67) = ( 0.9736842 0.4736842 0.5000000), wk = 0.0027397 k( 68) = ( 1.0000000 0.5000000 0.5000000), wk = 0.0027397 k( 69) = ( 1.0000000 0.5000000 0.5000000), wk = 0.0027397 k( 70) = ( 0.9893617 0.5000000 0.4893617), wk = 0.0027397 k( 71) = ( 0.9787234 0.5000000 0.4787234), wk = 0.0027397 k( 72) = ( 0.9680851 0.5000000 0.4680851), wk = 0.0027397 k( 73) = ( 0.9574468 0.5000000 0.4574468), wk = 0.0027397 k( 74) = ( 0.9468085 0.5000000 0.4468085), wk = 0.0027397 k( 75) = ( 0.9361702 0.5000000 0.4361702), wk = 0.0027397 k( 76) = ( 0.9255319 0.5000000 0.4255319), wk = 0.0027397 k( 77) = ( 0.9148936 0.5000000 0.4148936), wk = 0.0027397 k( 78) = ( 0.9042553 0.5000000 0.4042553), wk = 0.0027397 k( 79) = ( 0.8936170 0.5000000 0.3936170), wk = 0.0027397 k( 80) = ( 0.8829787 0.5000000 0.3829787), wk = 0.0027397 k( 81) = ( 0.8723404 0.5000000 0.3723404), wk = 0.0027397 k( 82) = ( 0.8617021 0.5000000 0.3617021), wk = 0.0027397 k( 83) = ( 0.8510638 0.5000000 0.3510638), wk = 0.0027397 k( 84) = ( 0.8404255 0.5000000 0.3404255), wk = 0.0027397 k( 85) = ( 0.8297872 0.5000000 0.3297872), wk = 0.0027397 k( 86) = ( 0.8191489 0.5000000 0.3191489), wk = 0.0027397 k( 87) = ( 0.8085106 0.5000000 0.3085106), wk = 0.0027397 k( 88) = ( 0.7978723 0.5000000 0.2978723), wk = 0.0027397 k( 89) = ( 0.7872340 0.5000000 0.2872340), wk = 0.0027397 k( 90) = ( 0.7765957 0.5000000 0.2765957), wk = 0.0027397 k( 91) = ( 0.7659575 0.5000000 0.2659574), wk = 0.0027397 k( 92) = ( 0.7553192 0.5000000 0.2553191), wk = 0.0027397 k( 93) = ( 0.7446808 0.5000000 0.2446809), wk = 0.0027397 k( 94) = ( 0.7340425 0.5000000 0.2340425), wk = 0.0027397 k( 95) = ( 0.7234043 0.5000000 0.2234043), wk = 0.0027397 k( 96) = ( 0.7127660 0.5000000 0.2127660), wk = 0.0027397 k( 97) = ( 0.7021277 0.5000000 0.2021277), wk = 0.0027397 k( 98) = ( 0.6914894 0.5000000 0.1914894), wk = 0.0027397 k( 99) = ( 0.6808511 0.5000000 0.1808511), wk = 0.0027397 k( 100) = ( 0.6702128 0.5000000 0.1702128), wk = 0.0027397 k( 101) = ( 0.6595745 0.5000000 0.1595745), wk = 0.0027397 k( 102) = ( 0.6489362 0.5000000 0.1489362), wk = 0.0027397 k( 103) = ( 0.6382979 0.5000000 0.1382979), wk = 0.0027397 k( 104) = ( 0.6276596 0.5000000 0.1276596), wk = 0.0027397 k( 105) = ( 0.6170213 0.5000000 0.1170213), wk = 0.0027397 k( 106) = ( 0.6063830 0.5000000 0.1063830), wk = 0.0027397 k( 107) = ( 0.5957447 0.5000000 0.0957447), wk = 0.0027397 k( 108) = ( 0.5851064 0.5000000 0.0851064), wk = 0.0027397 k( 109) = ( 0.5744681 0.5000000 0.0744681), wk = 0.0027397 k( 110) = ( 0.5638298 0.5000000 0.0638298), wk = 0.0027397 k( 111) = ( 0.5531915 0.5000000 0.0531915), wk = 0.0027397 k( 112) = ( 0.5425532 0.5000000 0.0425532), wk = 0.0027397 k( 113) = ( 0.5319149 0.5000000 0.0319149), wk = 0.0027397 k( 114) = ( 0.5212766 0.5000000 0.0212766), wk = 0.0027397 k( 115) = ( 0.5106383 0.5000000 0.0106383), wk = 0.0027397 k( 116) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027397 k( 117) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027397 k( 118) = ( 0.4736842 0.4736842 -0.0000000), wk = 0.0027397 k( 119) = ( 0.4473684 0.4473684 0.0000000), wk = 0.0027397 k( 120) = ( 0.4210526 0.4210526 0.0000000), wk = 0.0027397 k( 121) = ( 0.3947368 0.3947368 0.0000000), wk = 0.0027397 k( 122) = ( 0.3684211 0.3684211 0.0000000), wk = 0.0027397 k( 123) = ( 0.3421053 0.3421053 0.0000000), wk = 0.0027397 k( 124) = ( 0.3157895 0.3157895 0.0000000), wk = 0.0027397 k( 125) = ( 0.2894737 0.2894737 0.0000000), wk = 0.0027397 k( 126) = ( 0.2631579 0.2631579 0.0000000), wk = 0.0027397 k( 127) = ( 0.2368421 0.2368421 -0.0000000), wk = 0.0027397 k( 128) = ( 0.2105263 0.2105263 0.0000000), wk = 0.0027397 k( 129) = ( 0.1842105 0.1842105 0.0000000), wk = 0.0027397 k( 130) = ( 0.1578947 0.1578947 0.0000000), wk = 0.0027397 k( 131) = ( 0.1315790 0.1315790 0.0000000), wk = 0.0027397 k( 132) = ( 0.1052632 0.1052632 0.0000000), wk = 0.0027397 k( 133) = ( 0.0789474 0.0789474 0.0000000), wk = 0.0027397 k( 134) = ( 0.0526316 0.0526316 0.0000000), wk = 0.0027397 k( 135) = ( 0.0263158 0.0263158 0.0000000), wk = 0.0027397 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027397 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027397 k( 138) = ( 0.0000000 0.0098096 0.0098096), wk = 0.0027397 k( 139) = ( 0.0000000 0.0196193 0.0196193), wk = 0.0027397 k( 140) = ( 0.0000000 0.0294289 0.0294289), wk = 0.0027397 k( 141) = ( 0.0000000 0.0392385 0.0392385), wk = 0.0027397 k( 142) = ( 0.0000000 0.0490482 0.0490482), wk = 0.0027397 k( 143) = ( 0.0000000 0.0588578 0.0588578), wk = 0.0027397 k( 144) = ( 0.0000000 0.0686674 0.0686675), wk = 0.0027397 k( 145) = ( 0.0000000 0.0784771 0.0784771), wk = 0.0027397 k( 146) = ( 0.0000000 0.0882867 0.0882867), wk = 0.0027397 k( 147) = ( 0.0000000 0.0980963 0.0980963), wk = 0.0027397 k( 148) = ( 0.0000000 0.1079060 0.1079060), wk = 0.0027397 k( 149) = ( 0.0000000 0.1177156 0.1177156), wk = 0.0027397 k( 150) = ( 0.0000000 0.1275253 0.1275253), wk = 0.0027397 k( 151) = ( 0.0000000 0.1373349 0.1373349), wk = 0.0027397 k( 152) = ( 0.0000000 0.1471445 0.1471445), wk = 0.0027397 k( 153) = ( 0.0000000 0.1569542 0.1569542), wk = 0.0027397 k( 154) = ( 0.0000000 0.1667638 0.1667638), wk = 0.0027397 k( 155) = ( 0.0000000 0.1765734 0.1765734), wk = 0.0027397 k( 156) = ( 0.0000000 0.1863831 0.1863831), wk = 0.0027397 k( 157) = ( 0.0000000 0.1961927 0.1961927), wk = 0.0027397 k( 158) = ( 0.0000000 0.2060023 0.2060023), wk = 0.0027397 k( 159) = ( 0.0000000 0.2158120 0.2158120), wk = 0.0027397 k( 160) = ( 0.0000000 0.2256216 0.2256216), wk = 0.0027397 k( 161) = ( 0.0000000 0.2354312 0.2354313), wk = 0.0027397 k( 162) = ( 0.0000000 0.2452409 0.2452409), wk = 0.0027397 k( 163) = ( 0.0000000 0.2550505 0.2550505), wk = 0.0027397 k( 164) = ( 0.0000000 0.2648602 0.2648601), wk = 0.0027397 k( 165) = ( 0.0000000 0.2746698 0.2746698), wk = 0.0027397 k( 166) = ( 0.0000000 0.2844794 0.2844794), wk = 0.0027397 k( 167) = ( 0.0000000 0.2942891 0.2942891), wk = 0.0027397 k( 168) = ( 0.0000000 0.3040987 0.3040987), wk = 0.0027397 k( 169) = ( 0.0000000 0.3139083 0.3139083), wk = 0.0027397 k( 170) = ( 0.0000000 0.3237180 0.3237180), wk = 0.0027397 k( 171) = ( 0.0000000 0.3335276 0.3335276), wk = 0.0027397 k( 172) = ( 0.0000000 0.3433372 0.3433372), wk = 0.0027397 k( 173) = ( 0.0000000 0.3531469 0.3531469), wk = 0.0027397 k( 174) = ( 0.0000000 0.3629565 0.3629565), wk = 0.0027397 k( 175) = ( 0.0000000 0.3727661 0.3727661), wk = 0.0027397 k( 176) = ( 0.0000000 0.3825758 0.3825758), wk = 0.0027397 k( 177) = ( 0.0000000 0.3923854 0.3923854), wk = 0.0027397 k( 178) = ( 0.0000000 0.4021950 0.4021950), wk = 0.0027397 k( 179) = ( 0.0000000 0.4120047 0.4120047), wk = 0.0027397 k( 180) = ( 0.0000000 0.4218143 0.4218143), wk = 0.0027397 k( 181) = ( 0.0000000 0.4316239 0.4316239), wk = 0.0027397 k( 182) = ( 0.0000000 0.4414336 0.4414336), wk = 0.0027397 k( 183) = ( 0.0000000 0.4512432 0.4512432), wk = 0.0027397 k( 184) = ( 0.0000000 0.4610529 0.4610529), wk = 0.0027397 k( 185) = ( 0.0000000 0.4708625 0.4708625), wk = 0.0027397 k( 186) = ( 0.0000000 0.4806721 0.4806721), wk = 0.0027397 k( 187) = ( 0.0000000 0.4904818 0.4904818), wk = 0.0027397 k( 188) = ( 0.0000000 0.4904818 0.4904818), wk = 0.0027397 k( 189) = ( 0.0079365 0.4839003 0.4918368), wk = 0.0027397 k( 190) = ( 0.0158730 0.4773188 0.4931919), wk = 0.0027397 k( 191) = ( 0.0238095 0.4707374 0.4945469), wk = 0.0027397 k( 192) = ( 0.0317460 0.4641559 0.4959019), wk = 0.0027397 k( 193) = ( 0.0396825 0.4575745 0.4972570), wk = 0.0027397 k( 194) = ( 0.0476191 0.4509930 0.4986120), wk = 0.0027397 k( 195) = ( 0.0555556 0.4444115 0.4999671), wk = 0.0027397 k( 196) = ( 0.0634921 0.4378301 0.5013221), wk = 0.0027397 k( 197) = ( 0.0714286 0.4312486 0.5026772), wk = 0.0027397 k( 198) = ( 0.0793651 0.4246671 0.5040322), wk = 0.0027397 k( 199) = ( 0.0873016 0.4180857 0.5053873), wk = 0.0027397 k( 200) = ( 0.0952381 0.4115042 0.5067423), wk = 0.0027397 k( 201) = ( 0.1031746 0.4049227 0.5080974), wk = 0.0027397 k( 202) = ( 0.1111111 0.3983413 0.5094524), wk = 0.0027397 k( 203) = ( 0.1190476 0.3917598 0.5108075), wk = 0.0027397 k( 204) = ( 0.1269841 0.3851784 0.5121625), wk = 0.0027397 k( 205) = ( 0.1349206 0.3785969 0.5135175), wk = 0.0027397 k( 206) = ( 0.1428571 0.3720154 0.5148726), wk = 0.0027397 k( 207) = ( 0.1507937 0.3654340 0.5162276), wk = 0.0027397 k( 208) = ( 0.1587302 0.3588525 0.5175827), wk = 0.0027397 k( 209) = ( 0.1666667 0.3522710 0.5189377), wk = 0.0027397 k( 210) = ( 0.1746032 0.3456896 0.5202928), wk = 0.0027397 k( 211) = ( 0.1825397 0.3391081 0.5216478), wk = 0.0027397 k( 212) = ( 0.1904762 0.3325267 0.5230029), wk = 0.0027397 k( 213) = ( 0.1984127 0.3259452 0.5243579), wk = 0.0027397 k( 214) = ( 0.2063492 0.3193637 0.5257129), wk = 0.0027397 k( 215) = ( 0.2142857 0.3127823 0.5270680), wk = 0.0027397 k( 216) = ( 0.2222222 0.3062008 0.5284230), wk = 0.0027397 k( 217) = ( 0.2301587 0.2996194 0.5297781), wk = 0.0027397 k( 218) = ( 0.2380952 0.2930379 0.5311331), wk = 0.0027397 k( 219) = ( 0.2460317 0.2864564 0.5324882), wk = 0.0027397 k( 220) = ( 0.2539683 0.2798750 0.5338432), wk = 0.0027397 k( 221) = ( 0.2619048 0.2732935 0.5351983), wk = 0.0027397 k( 222) = ( 0.2698413 0.2667120 0.5365533), wk = 0.0027397 k( 223) = ( 0.2777778 0.2601306 0.5379084), wk = 0.0027397 k( 224) = ( 0.2857143 0.2535491 0.5392634), wk = 0.0027397 k( 225) = ( 0.2936508 0.2469677 0.5406184), wk = 0.0027397 k( 226) = ( 0.3015873 0.2403862 0.5419735), wk = 0.0027397 k( 227) = ( 0.3095238 0.2338047 0.5433285), wk = 0.0027397 k( 228) = ( 0.3174603 0.2272233 0.5446836), wk = 0.0027397 k( 229) = ( 0.3253968 0.2206418 0.5460386), wk = 0.0027397 k( 230) = ( 0.3333333 0.2140603 0.5473937), wk = 0.0027397 k( 231) = ( 0.3412698 0.2074789 0.5487487), wk = 0.0027397 k( 232) = ( 0.3492063 0.2008974 0.5501038), wk = 0.0027397 k( 233) = ( 0.3571429 0.1943159 0.5514588), wk = 0.0027397 k( 234) = ( 0.3650794 0.1877345 0.5528139), wk = 0.0027397 k( 235) = ( 0.3730159 0.1811530 0.5541689), wk = 0.0027397 k( 236) = ( 0.3809524 0.1745716 0.5555239), wk = 0.0027397 k( 237) = ( 0.3888889 0.1679901 0.5568790), wk = 0.0027397 k( 238) = ( 0.3968254 0.1614086 0.5582340), wk = 0.0027397 k( 239) = ( 0.4047619 0.1548272 0.5595891), wk = 0.0027397 k( 240) = ( 0.4126984 0.1482457 0.5609441), wk = 0.0027397 k( 241) = ( 0.4206349 0.1416642 0.5622992), wk = 0.0027397 k( 242) = ( 0.4285714 0.1350828 0.5636542), wk = 0.0027397 k( 243) = ( 0.4365079 0.1285013 0.5650093), wk = 0.0027397 k( 244) = ( 0.4444444 0.1219199 0.5663643), wk = 0.0027397 k( 245) = ( 0.4523810 0.1153384 0.5677194), wk = 0.0027397 k( 246) = ( 0.4603175 0.1087569 0.5690744), wk = 0.0027397 k( 247) = ( 0.4682540 0.1021755 0.5704295), wk = 0.0027397 k( 248) = ( 0.4761905 0.0955940 0.5717845), wk = 0.0027397 k( 249) = ( 0.4841270 0.0890126 0.5731395), wk = 0.0027397 k( 250) = ( 0.4920635 0.0824311 0.5744946), wk = 0.0027397 k( 251) = ( 0.5000000 0.0758496 0.5758496), wk = 0.0027397 k( 252) = ( 0.5000000 0.0758496 0.5758496), wk = 0.0027397 k( 253) = ( 0.5000000 0.0663684 0.5663684), wk = 0.0027397 k( 254) = ( 0.5000000 0.0568872 0.5568872), wk = 0.0027397 k( 255) = ( 0.5000000 0.0474060 0.5474060), wk = 0.0027397 k( 256) = ( 0.5000000 0.0379248 0.5379248), wk = 0.0027397 k( 257) = ( 0.5000000 0.0284436 0.5284436), wk = 0.0027397 k( 258) = ( 0.5000000 0.0189624 0.5189624), wk = 0.0027397 k( 259) = ( 0.5000000 0.0094812 0.5094812), wk = 0.0027397 k( 260) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027397 k( 261) = ( 1.0000000 0.5000000 0.5000000), wk = 0.0027397 k( 262) = ( 1.0000000 0.5095182 0.5095182), wk = 0.0027397 k( 263) = ( 0.0000000 0.4904818 0.4904818), wk = 0.0027397 k( 264) = ( 0.0250000 0.5121652 0.4871652), wk = 0.0027397 k( 265) = ( 0.0500000 0.5338486 0.4838486), wk = 0.0027397 k( 266) = ( 0.0750000 0.5555321 0.4805321), wk = 0.0027397 k( 267) = ( 0.1000000 0.5772155 0.4772155), wk = 0.0027397 k( 268) = ( 0.1250000 0.5988989 0.4738989), wk = 0.0027397 k( 269) = ( 0.1500000 0.6205823 0.4705823), wk = 0.0027397 k( 270) = ( 0.1750000 0.6422658 0.4672658), wk = 0.0027397 k( 271) = ( 0.2000000 0.6639492 0.4639492), wk = 0.0027397 k( 272) = ( 0.2250000 0.6856326 0.4606326), wk = 0.0027397 k( 273) = ( 0.2500000 0.7073161 0.4573161), wk = 0.0027397 k( 274) = ( 0.2750000 0.7289995 0.4539995), wk = 0.0027397 k( 275) = ( 0.3000000 0.7506829 0.4506829), wk = 0.0027397 k( 276) = ( 0.3250000 0.7723664 0.4473664), wk = 0.0027397 k( 277) = ( 0.3500000 0.7940498 0.4440498), wk = 0.0027397 k( 278) = ( 0.3750000 0.8157332 0.4407332), wk = 0.0027397 k( 279) = ( 0.4000000 0.8374166 0.4374167), wk = 0.0027397 k( 280) = ( 0.4250000 0.8591001 0.4341001), wk = 0.0027397 k( 281) = ( 0.4500000 0.8807835 0.4307835), wk = 0.0027397 k( 282) = ( 0.4750000 0.9024669 0.4274669), wk = 0.0027397 k( 283) = ( 0.5000000 0.9241504 0.4241504), wk = 0.0027397 k( 284) = ( 0.5000000 0.9241504 0.4241504), wk = 0.0027397 k( 285) = ( 0.5000000 0.9145106 0.4145106), wk = 0.0027397 k( 286) = ( 0.5000000 0.9048708 0.4048708), wk = 0.0027397 k( 287) = ( 0.5000000 0.8952310 0.3952310), wk = 0.0027397 k( 288) = ( 0.5000000 0.8855913 0.3855912), wk = 0.0027397 k( 289) = ( 0.5000000 0.8759515 0.3759515), wk = 0.0027397 k( 290) = ( 0.5000000 0.8663117 0.3663117), wk = 0.0027397 k( 291) = ( 0.5000000 0.8566719 0.3566719), wk = 0.0027397 k( 292) = ( 0.5000000 0.8470321 0.3470321), wk = 0.0027397 k( 293) = ( 0.5000000 0.8373923 0.3373923), wk = 0.0027397 k( 294) = ( 0.5000000 0.8277526 0.3277526), wk = 0.0027397 k( 295) = ( 0.5000000 0.8181128 0.3181128), wk = 0.0027397 k( 296) = ( 0.5000000 0.8084730 0.3084730), wk = 0.0027397 k( 297) = ( 0.5000000 0.7988332 0.2988332), wk = 0.0027397 k( 298) = ( 0.5000000 0.7891934 0.2891934), wk = 0.0027397 k( 299) = ( 0.5000000 0.7795536 0.2795536), wk = 0.0027397 k( 300) = ( 0.5000000 0.7699139 0.2699139), wk = 0.0027397 k( 301) = ( 0.5000000 0.7602741 0.2602741), wk = 0.0027397 k( 302) = ( 0.5000000 0.7506343 0.2506343), wk = 0.0027397 k( 303) = ( 0.5000000 0.7409945 0.2409945), wk = 0.0027397 k( 304) = ( 0.5000000 0.7313548 0.2313547), wk = 0.0027397 k( 305) = ( 0.5000000 0.7217150 0.2217150), wk = 0.0027397 k( 306) = ( 0.5000000 0.7120752 0.2120752), wk = 0.0027397 k( 307) = ( 0.5000000 0.7024354 0.2024354), wk = 0.0027397 k( 308) = ( 0.5000000 0.6927956 0.1927956), wk = 0.0027397 k( 309) = ( 0.5000000 0.6831558 0.1831558), wk = 0.0027397 k( 310) = ( 0.5000000 0.6735161 0.1735161), wk = 0.0027397 k( 311) = ( 0.5000000 0.6638763 0.1638763), wk = 0.0027397 k( 312) = ( 0.5000000 0.6542365 0.1542365), wk = 0.0027397 k( 313) = ( 0.5000000 0.6445967 0.1445967), wk = 0.0027397 k( 314) = ( 0.5000000 0.6349569 0.1349569), wk = 0.0027397 k( 315) = ( 0.5000000 0.6253172 0.1253172), wk = 0.0027397 k( 316) = ( 0.5000000 0.6156774 0.1156774), wk = 0.0027397 k( 317) = ( 0.5000000 0.6060376 0.1060376), wk = 0.0027397 k( 318) = ( 0.5000000 0.5963978 0.0963978), wk = 0.0027397 k( 319) = ( 0.5000000 0.5867580 0.0867580), wk = 0.0027397 k( 320) = ( 0.5000000 0.5771183 0.0771182), wk = 0.0027397 k( 321) = ( 0.5000000 0.5674785 0.0674785), wk = 0.0027397 k( 322) = ( 0.5000000 0.5578387 0.0578387), wk = 0.0027397 k( 323) = ( 0.5000000 0.5481989 0.0481989), wk = 0.0027397 k( 324) = ( 0.5000000 0.5385591 0.0385591), wk = 0.0027397 k( 325) = ( 0.5000000 0.5289193 0.0289193), wk = 0.0027397 k( 326) = ( 0.5000000 0.5192796 0.0192796), wk = 0.0027397 k( 327) = ( 0.5000000 0.5096398 0.0096398), wk = 0.0027397 k( 328) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027397 k( 329) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027397 k( 330) = ( 0.4861111 0.4861111 0.4861111), wk = 0.0027397 k( 331) = ( 0.4722222 0.4722222 0.4722222), wk = 0.0027397 k( 332) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0027397 k( 333) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0027397 k( 334) = ( 0.4305556 0.4305556 0.4305556), wk = 0.0027397 k( 335) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0027397 k( 336) = ( 0.4027778 0.4027778 0.4027778), wk = 0.0027397 k( 337) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0027397 k( 338) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0027397 k( 339) = ( 0.3611111 0.3611111 0.3611111), wk = 0.0027397 k( 340) = ( 0.3472222 0.3472222 0.3472222), wk = 0.0027397 k( 341) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0027397 k( 342) = ( 0.3194444 0.3194444 0.3194444), wk = 0.0027397 k( 343) = ( 0.3055556 0.3055556 0.3055556), wk = 0.0027397 k( 344) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0027397 k( 345) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0027397 k( 346) = ( 0.2638889 0.2638889 0.2638889), wk = 0.0027397 k( 347) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027397 k( 348) = ( 0.2361111 0.2361111 0.2361111), wk = 0.0027397 k( 349) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0027397 k( 350) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0027397 k( 351) = ( 0.1944444 0.1944444 0.1944444), wk = 0.0027397 k( 352) = ( 0.1805556 0.1805556 0.1805556), wk = 0.0027397 k( 353) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0027397 k( 354) = ( 0.1527778 0.1527778 0.1527778), wk = 0.0027397 k( 355) = ( 0.1388889 0.1388889 0.1388889), wk = 0.0027397 k( 356) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0027397 k( 357) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0027397 k( 358) = ( 0.0972222 0.0972222 0.0972222), wk = 0.0027397 k( 359) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0027397 k( 360) = ( 0.0694444 0.0694444 0.0694444), wk = 0.0027397 k( 361) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0027397 k( 362) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0027397 k( 363) = ( 0.0277778 0.0277778 0.0277778), wk = 0.0027397 k( 364) = ( 0.0138889 0.0138889 0.0138889), wk = 0.0027397 k( 365) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027397 Dense grid: 120713 G-vectors FFT dimensions: ( 100, 100, 54) Smooth grid: 50975 G-vectors FFT dimensions: ( 75, 75, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.28 Mb ( 368, 50) NL pseudopotentials 0.44 Mb ( 184, 158) Each V/rho on FFT grid 0.31 Mb ( 20000) Each G-vector array 0.03 Mb ( 3353) G-vector shells 0.02 Mb ( 3011) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.12 Mb ( 368, 200) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.24 Mb ( 158, 2, 50) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./H3C5I2N.save/charge-density.dat Starting wfc are 70 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.6 secs Computing kpt #: 2 total cpu time spent up to now is 4.5 secs Computing kpt #: 3 total cpu time spent up to now is 5.2 secs Computing kpt #: 4 total cpu time spent up to now is 6.0 secs Computing kpt #: 5 total cpu time spent up to now is 6.8 secs Computing kpt #: 6 total cpu time spent up to now is 7.6 secs Computing kpt #: 7 total cpu time spent up to now is 8.4 secs Computing kpt #: 8 total cpu time spent up to now is 9.2 secs Computing kpt #: 9 total cpu time spent up to now is 10.0 secs Computing kpt #: 10 total cpu time spent up to now is 10.8 secs Computing kpt #: 11 total cpu time spent up to now is 11.5 secs Computing kpt #: 12 total cpu time spent up to now is 12.3 secs Computing kpt #: 13 total cpu time spent up to now is 13.0 secs Computing kpt #: 14 total cpu time spent up to now is 13.8 secs Computing kpt #: 15 total cpu time spent up to now is 14.8 secs Computing kpt #: 16 total cpu time spent up to now is 15.5 secs Computing kpt #: 17 total cpu time spent up to now is 16.3 secs Computing kpt #: 18 total cpu time spent up to now is 17.0 secs Computing kpt #: 19 total cpu time spent up to now is 17.8 secs Computing kpt #: 20 total cpu time spent up to now is 18.6 secs Computing kpt #: 21 total cpu time spent up to now is 19.3 secs Computing kpt #: 22 total cpu time spent up to now is 20.0 secs Computing kpt #: 23 total cpu time spent up to now is 20.8 secs Computing kpt #: 24 total cpu time spent up to now is 21.6 secs Computing kpt #: 25 total cpu time spent up to now is 22.3 secs Computing kpt #: 26 total cpu time spent up to now is 23.0 secs Computing kpt #: 27 total cpu time spent up to now is 23.8 secs Computing kpt #: 28 total cpu time spent up to now is 24.6 secs Computing kpt #: 29 total cpu time spent up to now is 25.3 secs Computing kpt #: 30 total cpu time spent up to now is 26.1 secs Computing kpt #: 31 total cpu time spent up to now is 26.8 secs Computing kpt #: 32 total cpu time spent up to now is 27.6 secs Computing kpt #: 33 total cpu time spent up to now is 28.3 secs Computing kpt #: 34 total cpu time spent up to now is 29.1 secs Computing kpt #: 35 total cpu time spent up to now is 29.8 secs Computing kpt #: 36 total cpu time spent up to now is 30.6 secs Computing kpt #: 37 total cpu time spent up to now is 31.4 secs Computing kpt #: 38 total cpu time spent up to now is 32.1 secs Computing kpt #: 39 total cpu time spent up to now is 32.8 secs Computing kpt #: 40 total cpu time spent up to now is 33.6 secs Computing kpt #: 41 total cpu time spent up to now is 34.4 secs Computing kpt #: 42 total cpu time spent up to now is 35.1 secs Computing kpt #: 43 total cpu time spent up to now is 35.9 secs Computing kpt #: 44 total cpu time spent up to now is 36.6 secs Computing kpt #: 45 total cpu time spent up to now is 37.5 secs Computing kpt #: 46 total cpu time spent up to now is 38.3 secs Computing kpt #: 47 total cpu time spent up to now is 39.0 secs Computing kpt #: 48 total cpu time spent up to now is 39.7 secs Computing kpt #: 49 total cpu time spent up to now is 40.5 secs Computing kpt #: 50 total cpu time spent up to now is 41.2 secs Computing kpt #: 51 total cpu time spent up to now is 41.9 secs Computing kpt #: 52 total cpu time spent up to now is 42.6 secs Computing kpt #: 53 total cpu time spent up to now is 43.4 secs Computing kpt #: 54 total cpu time spent up to now is 44.1 secs Computing kpt #: 55 total cpu time spent up to now is 44.9 secs Computing kpt #: 56 total cpu time spent up to now is 45.7 secs Computing kpt #: 57 total cpu time spent up to now is 46.4 secs Computing kpt #: 58 total cpu time spent up to now is 47.2 secs Computing kpt #: 59 total cpu time spent up to now is 47.9 secs Computing kpt #: 60 total cpu time spent up to now is 48.7 secs Computing kpt #: 61 total cpu time spent up to now is 49.4 secs Computing kpt #: 62 total cpu time spent up to now is 50.2 secs Computing kpt #: 63 total cpu time spent up to now is 50.9 secs Computing kpt #: 64 total cpu time spent up to now is 51.7 secs Computing kpt #: 65 total cpu time spent up to now is 52.4 secs Computing kpt #: 66 total cpu time spent up to now is 53.1 secs Computing kpt #: 67 total cpu time spent up to now is 53.9 secs Computing kpt #: 68 total cpu time spent up to now is 54.6 secs Computing kpt #: 69 total cpu time spent up to now is 55.3 secs Computing kpt #: 70 total cpu time spent up to now is 56.1 secs Computing kpt #: 71 total cpu time spent up to now is 56.8 secs Computing kpt #: 72 total cpu time spent up to now is 57.6 secs Computing kpt #: 73 total cpu time spent up to now is 58.3 secs Computing kpt #: 74 total cpu time spent up to now is 59.0 secs Computing kpt #: 75 total cpu time spent up to now is 59.8 secs Computing kpt #: 76 total cpu time spent up to now is 60.6 secs Computing kpt #: 77 total cpu time spent up to now is 61.4 secs Computing kpt #: 78 total cpu time spent up to now is 62.2 secs Computing kpt #: 79 total cpu time spent up to now is 63.0 secs Computing kpt #: 80 total cpu time spent up to now is 63.7 secs Computing kpt #: 81 total cpu time spent up to now is 64.5 secs Computing kpt #: 82 total cpu time spent up to now is 65.2 secs Computing kpt #: 83 total cpu time spent up to now is 66.0 secs Computing kpt #: 84 total cpu time spent up to now is 66.9 secs Computing kpt #: 85 total cpu time spent up to now is 67.7 secs Computing kpt #: 86 total cpu time spent up to now is 68.4 secs Computing kpt #: 87 total cpu time spent up to now is 69.2 secs Computing kpt #: 88 total cpu time spent up to now is 70.0 secs Computing kpt #: 89 total cpu time spent up to now is 70.7 secs Computing kpt #: 90 total cpu time spent up to now is 71.5 secs Computing kpt #: 91 total cpu time spent up to now is 72.3 secs Computing kpt #: 92 total cpu time spent up to now is 73.1 secs Computing kpt #: 93 total cpu time spent up to now is 73.8 secs Computing kpt #: 94 total cpu time spent up to now is 74.5 secs Computing kpt #: 95 total cpu time spent up to now is 75.3 secs Computing kpt #: 96 total cpu time spent up to now is 76.0 secs Computing kpt #: 97 total cpu time spent up to now is 76.8 secs Computing kpt #: 98 total cpu time spent up to now is 77.5 secs Computing kpt #: 99 total cpu time spent up to now is 78.2 secs Computing kpt #: 100 total cpu time spent up to now is 79.0 secs Computing kpt #: 101 total cpu time spent up to now is 79.8 secs Computing kpt #: 102 total cpu time spent up to now is 80.6 secs Computing kpt #: 103 total cpu time spent up to now is 81.3 secs Computing kpt #: 104 total cpu time spent up to now is 82.1 secs Computing kpt #: 105 total cpu time spent up to now is 82.8 secs Computing kpt #: 106 total cpu time spent up to now is 83.6 secs Computing kpt #: 107 total cpu time spent up to now is 84.4 secs Computing kpt #: 108 total cpu time spent up to now is 85.2 secs Computing kpt #: 109 total cpu time spent up to now is 85.9 secs Computing kpt #: 110 total cpu time spent up to now is 86.7 secs Computing kpt #: 111 total cpu time spent up to now is 87.4 secs Computing kpt #: 112 total cpu time spent up to now is 88.2 secs Computing kpt #: 113 total cpu time spent up to now is 89.0 secs Computing kpt #: 114 total cpu time spent up to now is 89.7 secs Computing kpt #: 115 total cpu time spent up to now is 90.5 secs Computing kpt #: 116 total cpu time spent up to now is 91.3 secs Computing kpt #: 117 total cpu time spent up to now is 92.0 secs Computing kpt #: 118 total cpu time spent up to now is 92.8 secs Computing kpt #: 119 total cpu time spent up to now is 93.6 secs Computing kpt #: 120 total cpu time spent up to now is 94.4 secs Computing kpt #: 121 total cpu time spent up to now is 95.1 secs Computing kpt #: 122 total cpu time spent up to now is 95.9 secs Computing kpt #: 123 total cpu time spent up to now is 96.7 secs Computing kpt #: 124 total cpu time spent up to now is 97.5 secs Computing kpt #: 125 total cpu time spent up to now is 98.3 secs Computing kpt #: 126 total cpu time spent up to now is 99.1 secs Computing kpt #: 127 total cpu time spent up to now is 99.9 secs Computing kpt #: 128 total cpu time spent up to now is 100.6 secs Computing kpt #: 129 total cpu time spent up to now is 101.4 secs Computing kpt #: 130 total cpu time spent up to now is 102.2 secs Computing kpt #: 131 total cpu time spent up to now is 102.9 secs Computing kpt #: 132 total cpu time spent up to now is 103.6 secs Computing kpt #: 133 total cpu time spent up to now is 104.4 secs Computing kpt #: 134 total cpu time spent up to now is 105.2 secs Computing kpt #: 135 total cpu time spent up to now is 105.9 secs Computing kpt #: 136 total cpu time spent up to now is 106.7 secs Computing kpt #: 137 total cpu time spent up to now is 107.5 secs Computing kpt #: 138 total cpu time spent up to now is 108.3 secs Computing kpt #: 139 total cpu time spent up to now is 109.1 secs Computing kpt #: 140 total cpu time spent up to now is 109.8 secs Computing kpt #: 141 total cpu time spent up to now is 110.6 secs Computing kpt #: 142 total cpu time spent up to now is 111.3 secs Computing kpt #: 143 total cpu time spent up to now is 112.0 secs Computing kpt #: 144 total cpu time spent up to now is 112.8 secs Computing kpt #: 145 total cpu time spent up to now is 113.6 secs Computing kpt #: 146 total cpu time spent up to now is 114.3 secs Computing kpt #: 147 total cpu time spent up to now is 115.1 secs Computing kpt #: 148 total cpu time spent up to now is 115.9 secs Computing kpt #: 149 total cpu time spent up to now is 116.7 secs Computing kpt #: 150 total cpu time spent up to now is 117.4 secs Computing kpt #: 151 total cpu time spent up to now is 118.2 secs Computing kpt #: 152 total cpu time spent up to now is 118.9 secs Computing kpt #: 153 total cpu time spent up to now is 119.7 secs Computing kpt #: 154 total cpu time spent up to now is 120.5 secs Computing kpt #: 155 total cpu time spent up to now is 121.3 secs Computing kpt #: 156 total cpu time spent up to now is 122.1 secs Computing kpt #: 157 total cpu time spent up to now is 122.8 secs Computing kpt #: 158 total cpu time spent up to now is 123.5 secs Computing kpt #: 159 total cpu time spent up to now is 124.3 secs Computing kpt #: 160 total cpu time spent up to now is 125.1 secs Computing kpt #: 161 total cpu time spent up to now is 125.8 secs Computing kpt #: 162 total cpu time spent up to now is 126.6 secs Computing kpt #: 163 total cpu time spent up to now is 127.3 secs Computing kpt #: 164 total cpu time spent up to now is 128.1 secs Computing kpt #: 165 total cpu time spent up to now is 128.9 secs Computing kpt #: 166 total cpu time spent up to now is 129.7 secs Computing kpt #: 167 total cpu time spent up to now is 130.4 secs Computing kpt #: 168 total cpu time spent up to now is 131.2 secs Computing kpt #: 169 total cpu time spent up to now is 131.9 secs Computing kpt #: 170 total cpu time spent up to now is 132.7 secs Computing kpt #: 171 total cpu time spent up to now is 133.4 secs Computing kpt #: 172 total cpu time spent up to now is 134.2 secs Computing kpt #: 173 total cpu time spent up to now is 134.9 secs Computing kpt #: 174 total cpu time spent up to now is 135.7 secs Computing kpt #: 175 total cpu time spent up to now is 136.4 secs Computing kpt #: 176 total cpu time spent up to now is 137.2 secs Computing kpt #: 177 total cpu time spent up to now is 137.9 secs Computing kpt #: 178 total cpu time spent up to now is 138.7 secs Computing kpt #: 179 total cpu time spent up to now is 139.4 secs Computing kpt #: 180 total cpu time spent up to now is 140.1 secs Computing kpt #: 181 total cpu time spent up to now is 140.8 secs Computing kpt #: 182 total cpu time spent up to now is 141.6 secs Computing kpt #: 183 total cpu time spent up to now is 142.3 secs Computing kpt #: 184 total cpu time spent up to now is 143.1 secs Computing kpt #: 185 total cpu time spent up to now is 143.8 secs Computing kpt #: 186 total cpu time spent up to now is 144.6 secs Computing kpt #: 187 total cpu time spent up to now is 145.3 secs Computing kpt #: 188 total cpu time spent up to now is 146.1 secs Computing kpt #: 189 total cpu time spent up to now is 146.8 secs Computing kpt #: 190 total cpu time spent up to now is 147.6 secs Computing kpt #: 191 total cpu time spent up to now is 148.3 secs Computing kpt #: 192 total cpu time spent up to now is 149.1 secs Computing kpt #: 193 total cpu time spent up to now is 149.8 secs Computing kpt #: 194 total cpu time spent up to now is 150.6 secs Computing kpt #: 195 total cpu time spent up to now is 151.3 secs Computing kpt #: 196 total cpu time spent up to now is 152.1 secs Computing kpt #: 197 total cpu time spent up to now is 152.9 secs Computing kpt #: 198 total cpu time spent up to now is 153.7 secs Computing kpt #: 199 total cpu time spent up to now is 154.4 secs Computing kpt #: 200 total cpu time spent up to now is 155.2 secs Computing kpt #: 201 total cpu time spent up to now is 155.9 secs Computing kpt #: 202 total cpu time spent up to now is 156.7 secs Computing kpt #: 203 total cpu time spent up to now is 157.5 secs Computing kpt #: 204 total cpu time spent up to now is 158.3 secs Computing kpt #: 205 total cpu time spent up to now is 159.1 secs Computing kpt #: 206 total cpu time spent up to now is 159.8 secs Computing kpt #: 207 total cpu time spent up to now is 160.5 secs Computing kpt #: 208 total cpu time spent up to now is 161.3 secs Computing kpt #: 209 total cpu time spent up to now is 162.1 secs Computing kpt #: 210 total cpu time spent up to now is 162.9 secs Computing kpt #: 211 total cpu time spent up to now is 163.7 secs Computing kpt #: 212 total cpu time spent up to now is 164.4 secs Computing kpt #: 213 total cpu time spent up to now is 165.2 secs Computing kpt #: 214 total cpu time spent up to now is 165.9 secs Computing kpt #: 215 total cpu time spent up to now is 166.7 secs Computing kpt #: 216 total cpu time spent up to now is 167.4 secs Computing kpt #: 217 total cpu time spent up to now is 168.2 secs Computing kpt #: 218 total cpu time spent up to now is 169.0 secs Computing kpt #: 219 total cpu time spent up to now is 169.7 secs Computing kpt #: 220 total cpu time spent up to now is 170.5 secs Computing kpt #: 221 total cpu time spent up to now is 171.3 secs Computing kpt #: 222 total cpu time spent up to now is 172.1 secs Computing kpt #: 223 total cpu time spent up to now is 172.8 secs Computing kpt #: 224 total cpu time spent up to now is 173.6 secs Computing kpt #: 225 total cpu time spent up to now is 174.3 secs Computing kpt #: 226 total cpu time spent up to now is 175.1 secs Computing kpt #: 227 total cpu time spent up to now is 175.8 secs Computing kpt #: 228 total cpu time spent up to now is 176.6 secs Computing kpt #: 229 total cpu time spent up to now is 177.4 secs Computing kpt #: 230 total cpu time spent up to now is 178.1 secs Computing kpt #: 231 total cpu time spent up to now is 178.9 secs Computing kpt #: 232 total cpu time spent up to now is 179.7 secs Computing kpt #: 233 total cpu time spent up to now is 180.5 secs Computing kpt #: 234 total cpu time spent up to now is 181.5 secs Computing kpt #: 235 total cpu time spent up to now is 182.5 secs Computing kpt #: 236 total cpu time spent up to now is 183.2 secs Computing kpt #: 237 total cpu time spent up to now is 183.9 secs Computing kpt #: 238 total cpu time spent up to now is 184.7 secs Computing kpt #: 239 total cpu time spent up to now is 185.5 secs Computing kpt #: 240 total cpu time spent up to now is 186.3 secs Computing kpt #: 241 total cpu time spent up to now is 187.0 secs Computing kpt #: 242 total cpu time spent up to now is 187.8 secs Computing kpt #: 243 total cpu time spent up to now is 188.5 secs Computing kpt #: 244 total cpu time spent up to now is 189.3 secs Computing kpt #: 245 total cpu time spent up to now is 190.0 secs Computing kpt #: 246 total cpu time spent up to now is 190.8 secs Computing kpt #: 247 total cpu time spent up to now is 191.5 secs Computing kpt #: 248 total cpu time spent up to now is 192.3 secs Computing kpt #: 249 total cpu time spent up to now is 193.0 secs Computing kpt #: 250 total cpu time spent up to now is 193.7 secs Computing kpt #: 251 total cpu time spent up to now is 194.5 secs Computing kpt #: 252 total cpu time spent up to now is 195.2 secs Computing kpt #: 253 total cpu time spent up to now is 196.0 secs Computing kpt #: 254 total cpu time spent up to now is 196.7 secs Computing kpt #: 255 total cpu time spent up to now is 197.5 secs Computing kpt #: 256 total cpu time spent up to now is 198.2 secs Computing kpt #: 257 total cpu time spent up to now is 199.0 secs Computing kpt #: 258 total cpu time spent up to now is 199.7 secs Computing kpt #: 259 total cpu time spent up to now is 200.5 secs Computing kpt #: 260 total cpu time spent up to now is 201.2 secs Computing kpt #: 261 total cpu time spent up to now is 202.0 secs Computing kpt #: 262 total cpu time spent up to now is 202.7 secs Computing kpt #: 263 total cpu time spent up to now is 203.4 secs Computing kpt #: 264 total cpu time spent up to now is 204.2 secs Computing kpt #: 265 total cpu time spent up to now is 204.9 secs Computing kpt #: 266 total cpu time spent up to now is 205.6 secs Computing kpt #: 267 total cpu time spent up to now is 206.4 secs Computing kpt #: 268 total cpu time spent up to now is 207.1 secs Computing kpt #: 269 total cpu time spent up to now is 207.9 secs Computing kpt #: 270 total cpu time spent up to now is 208.7 secs Computing kpt #: 271 total cpu time spent up to now is 209.5 secs Computing kpt #: 272 total cpu time spent up to now is 210.3 secs Computing kpt #: 273 total cpu time spent up to now is 211.0 secs Computing kpt #: 274 total cpu time spent up to now is 211.8 secs Computing kpt #: 275 total cpu time spent up to now is 212.6 secs Computing kpt #: 276 total cpu time spent up to now is 213.3 secs Computing kpt #: 277 total cpu time spent up to now is 214.1 secs Computing kpt #: 278 total cpu time spent up to now is 214.9 secs Computing kpt #: 279 total cpu time spent up to now is 215.7 secs Computing kpt #: 280 total cpu time spent up to now is 216.4 secs Computing kpt #: 281 total cpu time spent up to now is 217.2 secs Computing kpt #: 282 total cpu time spent up to now is 217.9 secs Computing kpt #: 283 total cpu time spent up to now is 218.7 secs Computing kpt #: 284 total cpu time spent up to now is 219.4 secs Computing kpt #: 285 total cpu time spent up to now is 220.2 secs Computing kpt #: 286 total cpu time spent up to now is 220.9 secs Computing kpt #: 287 total cpu time spent up to now is 221.7 secs Computing kpt #: 288 total cpu time spent up to now is 222.5 secs Computing kpt #: 289 total cpu time spent up to now is 223.2 secs Computing kpt #: 290 total cpu time spent up to now is 223.9 secs Computing kpt #: 291 total cpu time spent up to now is 224.7 secs Computing kpt #: 292 total cpu time spent up to now is 225.5 secs Computing kpt #: 293 total cpu time spent up to now is 226.2 secs Computing kpt #: 294 total cpu time spent up to now is 227.0 secs Computing kpt #: 295 total cpu time spent up to now is 227.7 secs Computing kpt #: 296 total cpu time spent up to now is 228.5 secs Computing kpt #: 297 total cpu time spent up to now is 229.3 secs Computing kpt #: 298 total cpu time spent up to now is 230.0 secs Computing kpt #: 299 total cpu time spent up to now is 230.7 secs Computing kpt #: 300 total cpu time spent up to now is 231.5 secs Computing kpt #: 301 total cpu time spent up to now is 232.3 secs Computing kpt #: 302 total cpu time spent up to now is 233.0 secs Computing kpt #: 303 total cpu time spent up to now is 233.8 secs Computing kpt #: 304 total cpu time spent up to now is 234.5 secs Computing kpt #: 305 total cpu time spent up to now is 235.3 secs Computing kpt #: 306 total cpu time spent up to now is 236.1 secs Computing kpt #: 307 total cpu time spent up to now is 236.9 secs Computing kpt #: 308 total cpu time spent up to now is 237.7 secs Computing kpt #: 309 total cpu time spent up to now is 238.5 secs Computing kpt #: 310 total cpu time spent up to now is 239.3 secs Computing kpt #: 311 total cpu time spent up to now is 240.1 secs Computing kpt #: 312 total cpu time spent up to now is 240.8 secs Computing kpt #: 313 total cpu time spent up to now is 241.6 secs Computing kpt #: 314 total cpu time spent up to now is 242.4 secs Computing kpt #: 315 total cpu time spent up to now is 243.2 secs Computing kpt #: 316 total cpu time spent up to now is 244.0 secs Computing kpt #: 317 total cpu time spent up to now is 244.7 secs Computing kpt #: 318 total cpu time spent up to now is 245.6 secs Computing kpt #: 319 total cpu time spent up to now is 246.4 secs Computing kpt #: 320 total cpu time spent up to now is 247.1 secs Computing kpt #: 321 total cpu time spent up to now is 247.9 secs Computing kpt #: 322 total cpu time spent up to now is 248.7 secs Computing kpt #: 323 total cpu time spent up to now is 249.5 secs Computing kpt #: 324 total cpu time spent up to now is 250.2 secs Computing kpt #: 325 total cpu time spent up to now is 250.9 secs Computing kpt #: 326 total cpu time spent up to now is 251.7 secs Computing kpt #: 327 total cpu time spent up to now is 252.5 secs Computing kpt #: 328 total cpu time spent up to now is 253.3 secs Computing kpt #: 329 total cpu time spent up to now is 254.1 secs Computing kpt #: 330 total cpu time spent up to now is 254.9 secs Computing kpt #: 331 total cpu time spent up to now is 255.7 secs Computing kpt #: 332 total cpu time spent up to now is 256.5 secs Computing kpt #: 333 total cpu time spent up to now is 257.3 secs Computing kpt #: 334 total cpu time spent up to now is 258.0 secs Computing kpt #: 335 total cpu time spent up to now is 258.7 secs Computing kpt #: 336 total cpu time spent up to now is 259.5 secs Computing kpt #: 337 total cpu time spent up to now is 260.3 secs Computing kpt #: 338 total cpu time spent up to now is 261.1 secs Computing kpt #: 339 total cpu time spent up to now is 261.9 secs Computing kpt #: 340 total cpu time spent up to now is 262.6 secs Computing kpt #: 341 total cpu time spent up to now is 263.4 secs Computing kpt #: 342 total cpu time spent up to now is 264.2 secs Computing kpt #: 343 total cpu time spent up to now is 265.0 secs Computing kpt #: 344 total cpu time spent up to now is 265.7 secs Computing kpt #: 345 total cpu time spent up to now is 266.5 secs Computing kpt #: 346 total cpu time spent up to now is 267.3 secs Computing kpt #: 347 total cpu time spent up to now is 268.0 secs Computing kpt #: 348 total cpu time spent up to now is 268.8 secs Computing kpt #: 349 total cpu time spent up to now is 269.5 secs Computing kpt #: 350 total cpu time spent up to now is 270.3 secs Computing kpt #: 351 total cpu time spent up to now is 271.1 secs Computing kpt #: 352 total cpu time spent up to now is 271.8 secs Computing kpt #: 353 total cpu time spent up to now is 272.6 secs Computing kpt #: 354 total cpu time spent up to now is 273.4 secs Computing kpt #: 355 total cpu time spent up to now is 274.2 secs Computing kpt #: 356 total cpu time spent up to now is 275.0 secs Computing kpt #: 357 total cpu time spent up to now is 275.8 secs Computing kpt #: 358 total cpu time spent up to now is 276.6 secs Computing kpt #: 359 total cpu time spent up to now is 277.4 secs Computing kpt #: 360 total cpu time spent up to now is 278.1 secs Computing kpt #: 361 total cpu time spent up to now is 278.9 secs Computing kpt #: 362 total cpu time spent up to now is 279.7 secs Computing kpt #: 363 total cpu time spent up to now is 280.5 secs Computing kpt #: 364 total cpu time spent up to now is 281.2 secs Computing kpt #: 365 total cpu time spent up to now is 282.0 secs ethr = 2.38E-08, avg # of iterations = 12.4 total cpu time spent up to now is 282.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6367 PWs) bands (ev): -17.1639 -17.1639 -13.1551 -13.1551 -12.5901 -12.5901 -10.5872 -10.5872 -9.8783 -9.8783 -8.4709 -8.4709 -8.2198 -8.2198 -6.1132 -6.1132 -5.1343 -5.1343 -4.0971 -4.0971 -3.3977 -3.3977 -2.9618 -2.9618 -2.4233 -2.4233 -1.0891 -1.0891 -0.7228 -0.7228 -0.0223 -0.0223 0.4994 0.4994 0.8866 0.8866 0.9934 0.9934 1.3711 1.3711 1.7390 1.7390 5.1542 5.1542 5.3112 5.3112 5.7214 5.7214 5.9105 5.9105 k = 0.0106-0.0190 0.0186 ( 6387 PWs) bands (ev): -17.1638 -17.1638 -13.1552 -13.1552 -12.5900 -12.5900 -10.5870 -10.5869 -9.8785 -9.8785 -8.4710 -8.4710 -8.2198 -8.2198 -6.1134 -6.1133 -5.1344 -5.1343 -4.0975 -4.0966 -3.3982 -3.3975 -2.9628 -2.9624 -2.4233 -2.4231 -1.0893 -1.0892 -0.7227 -0.7213 -0.0297 -0.0175 0.4941 0.5046 0.8827 0.8897 0.9933 0.9943 1.3710 1.3718 1.7318 1.7435 5.1534 5.1546 5.3079 5.3134 5.7197 5.7234 5.9064 5.9175 k = 0.0213-0.0380 0.0372 ( 6397 PWs) bands (ev): -17.1637 -17.1637 -13.1554 -13.1554 -12.5896 -12.5895 -10.5863 -10.5862 -9.8792 -9.8792 -8.4712 -8.4712 -8.2197 -8.2196 -6.1137 -6.1136 -5.1346 -5.1343 -4.0979 -4.0960 -3.3990 -3.3976 -2.9654 -2.9645 -2.4232 -2.4228 -1.0900 -1.0898 -0.7210 -0.7181 -0.0396 -0.0154 0.4889 0.5097 0.8777 0.8920 0.9940 0.9958 1.3716 1.3731 1.7218 1.7453 5.1522 5.1547 5.3036 5.3143 5.7182 5.7257 5.9052 5.9271 k = 0.0319-0.0570 0.0559 ( 6393 PWs) bands (ev): -17.1633 -17.1633 -13.1558 -13.1558 -12.5888 -12.5887 -10.5852 -10.5850 -9.8804 -9.8803 -8.4715 -8.4715 -8.2195 -8.2194 -6.1142 -6.1140 -5.1348 -5.1344 -4.0980 -4.0953 -3.4001 -3.3980 -2.9695 -2.9682 -2.4228 -2.4222 -1.0911 -1.0908 -0.7176 -0.7133 -0.0518 -0.0160 0.4837 0.5147 0.8715 0.8937 0.9956 0.9977 1.3728 1.3750 1.7090 1.7444 5.1508 5.1545 5.2986 5.3141 5.7170 5.7283 5.9070 5.9390 k = 0.0426-0.0760 0.0745 ( 6393 PWs) bands (ev): -17.1629 -17.1629 -13.1564 -13.1563 -12.5877 -12.5876 -10.5837 -10.5834 -9.8819 -9.8819 -8.4720 -8.4720 -8.2192 -8.2192 -6.1149 -6.1146 -5.1351 -5.1346 -4.0981 -4.0945 -3.4015 -3.3988 -2.9751 -2.9734 -2.4223 -2.4215 -1.0926 -1.0923 -0.7126 -0.7069 -0.0663 -0.0195 0.4787 0.5196 0.8640 0.8949 0.9979 1.0000 1.3749 1.3775 1.6935 1.7409 5.1491 5.1540 5.2932 5.3128 5.7161 5.7312 5.9117 5.9528 k = 0.0532-0.0949 0.0931 ( 6397 PWs) bands (ev): -17.1623 -17.1623 -13.1571 -13.1570 -12.5864 -12.5862 -10.5817 -10.5814 -9.8840 -9.8839 -8.4727 -8.4726 -8.2189 -8.2188 -6.1158 -6.1154 -5.1354 -5.1348 -4.0981 -4.0936 -3.4032 -3.3998 -2.9823 -2.9801 -2.4217 -2.4207 -1.0945 -1.0941 -0.7060 -0.6988 -0.0829 -0.0257 0.4738 0.5242 0.8552 0.8957 1.0010 1.0024 1.3778 1.3805 1.6754 1.7350 5.1472 5.1533 5.2876 5.3107 5.7153 5.7343 5.9190 5.9681 k = 0.0638-0.1139 0.1117 ( 6390 PWs) bands (ev): -17.1616 -17.1616 -13.1579 -13.1579 -12.5847 -12.5845 -10.5793 -10.5789 -9.8864 -9.8863 -8.4734 -8.4733 -8.2185 -8.2184 -6.1168 -6.1164 -5.1358 -5.1351 -4.0979 -4.0926 -3.4052 -3.4011 -2.9910 -2.9884 -2.4208 -2.4196 -1.0968 -1.0964 -0.6977 -0.6891 -0.1014 -0.0347 0.4692 0.5287 0.8451 0.8961 1.0046 1.0048 1.3816 1.3841 1.6546 1.7269 5.1451 5.1526 5.2822 5.3079 5.7148 5.7376 5.9287 5.9845 k = 0.0745-0.1329 0.1304 ( 6394 PWs) bands (ev): -17.1608 -17.1608 -13.1589 -13.1588 -12.5827 -12.5825 -10.5764 -10.5760 -9.8893 -9.8892 -8.4743 -8.4742 -8.2180 -8.2179 -6.1180 -6.1175 -5.1363 -5.1354 -4.0976 -4.0915 -3.4074 -3.4027 -3.0012 -2.9983 -2.4198 -2.4184 -1.0995 -1.0990 -0.6878 -0.6778 -0.1217 -0.0465 0.4647 0.5331 0.8335 0.8961 1.0071 1.0085 1.3864 1.3882 1.6314 1.7166 5.1430 5.1518 5.2773 5.3049 5.7144 5.7411 5.9402 6.0017 k = 0.0851-0.1519 0.1490 ( 6390 PWs) bands (ev): -17.1599 -17.1599 -13.1600 -13.1599 -12.5805 -12.5802 -10.5731 -10.5726 -9.8925 -9.8924 -8.4752 -8.4752 -8.2174 -8.2173 -6.1194 -6.1188 -5.1368 -5.1358 -4.0972 -4.0902 -3.4098 -3.4045 -3.0130 -3.0096 -2.4186 -2.4170 -1.1025 -1.1021 -0.6763 -0.6647 -0.1437 -0.0608 0.4605 0.5373 0.8204 0.8956 1.0092 1.0126 1.3922 1.3930 1.6059 1.7044 5.1410 5.1511 5.2732 5.3019 5.7143 5.7447 5.9531 6.0192 k = 0.0957-0.1709 0.1676 ( 6394 PWs) bands (ev): -17.1589 -17.1589 -13.1612 -13.1612 -12.5780 -12.5777 -10.5694 -10.5689 -9.8962 -9.8960 -8.4763 -8.4762 -8.2168 -8.2167 -6.1209 -6.1202 -5.1374 -5.1362 -4.0966 -4.0888 -3.4125 -3.4066 -3.0263 -3.0225 -2.4172 -2.4154 -1.1060 -1.1056 -0.6631 -0.6501 -0.1671 -0.0776 0.4565 0.5413 0.8060 0.8947 1.0109 1.0164 1.3985 1.3992 1.5782 1.6904 5.1391 5.1505 5.2700 5.2994 5.7145 5.7484 5.9670 6.0366 k = 0.1064-0.1899 0.1862 ( 6392 PWs) bands (ev): -17.1578 -17.1577 -13.1626 -13.1625 -12.5752 -12.5749 -10.5654 -10.5648 -9.9002 -9.9000 -8.4775 -8.4774 -8.2161 -8.2160 -6.1225 -6.1218 -5.1379 -5.1367 -4.0958 -4.0873 -3.4153 -3.4088 -3.0410 -3.0369 -2.4156 -2.4136 -1.1098 -1.1094 -0.6483 -0.6338 -0.1919 -0.0967 0.4526 0.5451 0.7901 0.8931 1.0121 1.0198 1.4047 1.4074 1.5486 1.6750 5.1374 5.1502 5.2681 5.2974 5.7150 5.7522 5.9813 6.0536 k = 0.1170-0.2089 0.2049 ( 6400 PWs) bands (ev): -17.1565 -17.1565 -13.1641 -13.1640 -12.5722 -12.5718 -10.5609 -10.5603 -9.9046 -9.9044 -8.4788 -8.4787 -8.2154 -8.2152 -6.1243 -6.1235 -5.1386 -5.1372 -4.0949 -4.0857 -3.4184 -3.4113 -3.0572 -3.0527 -2.4138 -2.4116 -1.1139 -1.1136 -0.6319 -0.6159 -0.2178 -0.1179 0.4488 0.5488 0.7727 0.8909 1.0127 1.0225 1.4116 1.4168 1.5172 1.6584 5.1359 5.1502 5.2675 5.2964 5.7157 5.7560 5.9957 6.0697 k = 0.1277-0.2279 0.2235 ( 6400 PWs) bands (ev): -17.1552 -17.1552 -13.1657 -13.1656 -12.5689 -12.5685 -10.5561 -10.5554 -9.9093 -9.9091 -8.4802 -8.4801 -8.2145 -8.2144 -6.1262 -6.1254 -5.1393 -5.1378 -4.0938 -4.0839 -3.4215 -3.4139 -3.0748 -3.0699 -2.4118 -2.4095 -1.1184 -1.1181 -0.6140 -0.5965 -0.2447 -0.1411 0.4449 0.5523 0.7540 0.8880 1.0124 1.0242 1.4191 1.4274 1.4844 1.6410 5.1348 5.1506 5.2685 5.2966 5.7168 5.7599 6.0097 6.0848 k = 0.1383-0.2469 0.2421 ( 6404 PWs) bands (ev): -17.1538 -17.1538 -13.1673 -13.1673 -12.5654 -12.5650 -10.5510 -10.5502 -9.9143 -9.9141 -8.4816 -8.4815 -8.2137 -8.2135 -6.1282 -6.1273 -5.1399 -5.1384 -4.0925 -4.0819 -3.4248 -3.4167 -3.0937 -3.0885 -2.4096 -2.4071 -1.1232 -1.1229 -0.5946 -0.5754 -0.2724 -0.1660 0.4409 0.5556 0.7338 0.8844 1.0113 1.0247 1.4271 1.4374 1.4523 1.6232 5.1342 5.1515 5.2711 5.2981 5.7182 5.7639 6.0230 6.0986 k = 0.1489-0.2658 0.2607 ( 6394 PWs) bands (ev): -17.1523 -17.1522 -13.1691 -13.1691 -12.5617 -12.5613 -10.5455 -10.5447 -9.9196 -9.9194 -8.4831 -8.4830 -8.2127 -8.2125 -6.1303 -6.1293 -5.1407 -5.1390 -4.0910 -4.0798 -3.4282 -3.4196 -3.1139 -3.1085 -2.4072 -2.4046 -1.1283 -1.1281 -0.5738 -0.5529 -0.3006 -0.1924 0.4367 0.5588 0.7124 0.8800 1.0090 1.0238 1.4135 1.4352 1.4546 1.6059 5.1340 5.1528 5.2755 5.3012 5.7200 5.7679 6.0352 6.1107 k = 0.1596-0.2848 0.2794 ( 6412 PWs) bands (ev): -17.1507 -17.1507 -13.1710 -13.1709 -12.5579 -12.5574 -10.5398 -10.5389 -9.9252 -9.9249 -8.4847 -8.4845 -8.2117 -8.2116 -6.1325 -6.1314 -5.1414 -5.1397 -4.0893 -4.0776 -3.4316 -3.4226 -3.1354 -3.1297 -2.4047 -2.4018 -1.1337 -1.1335 -0.5519 -0.5289 -0.3292 -0.2201 0.4320 0.5616 0.6897 0.8750 1.0054 1.0212 1.3781 1.4424 1.4692 1.5899 5.1343 5.1547 5.2817 5.3059 5.7220 5.7719 6.0460 6.1211 k = 0.1702-0.3038 0.2980 ( 6410 PWs) bands (ev): -17.1491 -17.1490 -13.1729 -13.1729 -12.5538 -12.5533 -10.5337 -10.5328 -9.9309 -9.9307 -8.4863 -8.4862 -8.2107 -8.2105 -6.1347 -6.1336 -5.1421 -5.1403 -4.0874 -4.0752 -3.4351 -3.4257 -3.1581 -3.1521 -2.4019 -2.3989 -1.1394 -1.1391 -0.5293 -0.5035 -0.3575 -0.2490 0.4269 0.5641 0.6660 0.8693 1.0003 1.0169 1.3422 1.4472 1.4854 1.5772 5.1351 5.1571 5.2897 5.3124 5.7243 5.7759 6.0552 6.1294 k = 0.1809-0.3228 0.3166 ( 6404 PWs) bands (ev): -17.1474 -17.1473 -13.1749 -13.1749 -12.5496 -12.5491 -10.5275 -10.5265 -9.9369 -9.9367 -8.4879 -8.4878 -8.2096 -8.2094 -6.1370 -6.1358 -5.1429 -5.1410 -4.0852 -4.0726 -3.4386 -3.4288 -3.1818 -3.1756 -2.3989 -2.3957 -1.1452 -1.1450 -0.5069 -0.4769 -0.3846 -0.2788 0.4212 0.5658 0.6416 0.8630 0.9935 1.0109 1.3064 1.4476 1.5030 1.5700 5.1365 5.1601 5.2996 5.3207 5.7269 5.7800 6.0628 6.1358 k = 0.1915-0.3418 0.3352 ( 6400 PWs) bands (ev): -17.1456 -17.1456 -13.1770 -13.1769 -12.5452 -12.5447 -10.5210 -10.5200 -9.9431 -9.9428 -8.4896 -8.4894 -8.2084 -8.2082 -6.1393 -6.1381 -5.1436 -5.1417 -4.0829 -4.0698 -3.4421 -3.4320 -3.2065 -3.2001 -2.3957 -2.3924 -1.1513 -1.1511 -0.4880 -0.4490 -0.4071 -0.3093 0.4148 0.5660 0.6174 0.8562 0.9846 1.0031 1.2714 1.4417 1.5219 1.5700 5.1384 5.1637 5.3114 5.3308 5.7298 5.7840 6.0684 6.1400 k = 0.2021-0.3608 0.3539 ( 6408 PWs) bands (ev): -17.1438 -17.1438 -13.1791 -13.1790 -12.5408 -12.5403 -10.5143 -10.5133 -9.9494 -9.9491 -8.4913 -8.4911 -8.2073 -8.2071 -6.1417 -6.1404 -5.1444 -5.1424 -4.0803 -4.0669 -3.4456 -3.4352 -3.2321 -3.2255 -2.3923 -2.3889 -1.1576 -1.1574 -0.4834 -0.4201 -0.4143 -0.3403 0.4075 0.5613 0.5968 0.8490 0.9732 0.9936 1.2378 1.4298 1.5419 1.5772 5.1408 5.1677 5.3251 5.3427 5.7328 5.7879 6.0721 6.1420 k = 0.2128-0.3798 0.3725 ( 6408 PWs) bands (ev): -17.1420 -17.1419 -13.1812 -13.1812 -12.5362 -12.5357 -10.5074 -10.5064 -9.9558 -9.9555 -8.4930 -8.4928 -8.2061 -8.2059 -6.1440 -6.1428 -5.1451 -5.1431 -4.0775 -4.0638 -3.4491 -3.4383 -3.2585 -3.2517 -2.3888 -2.3852 -1.1641 -1.1638 -0.4998 -0.3993 -0.3916 -0.3702 0.3991 0.5450 0.5867 0.8414 0.9589 0.9825 1.2063 1.4137 1.5628 1.5899 5.1438 5.1723 5.3405 5.3564 5.7359 5.7917 6.0739 6.1420 k = 0.2234-0.3988 0.3911 ( 6408 PWs) bands (ev): -17.1401 -17.1401 -13.1834 -13.1833 -12.5315 -12.5310 -10.5004 -10.4993 -9.9623 -9.9620 -8.4947 -8.4945 -8.2048 -8.2046 -6.1464 -6.1451 -5.1458 -5.1437 -4.0745 -4.0606 -3.4525 -3.4415 -3.2854 -3.2786 -2.3851 -2.3814 -1.1707 -1.1703 -0.5252 -0.4052 -0.3743 -0.3574 0.3897 0.5196 0.5845 0.8337 0.9415 0.9699 1.1776 1.3950 1.5847 1.6062 5.1473 5.1773 5.3576 5.3719 5.7392 5.7953 6.0738 6.1399 k = 0.2340-0.4178 0.4097 ( 6412 PWs) bands (ev): -17.1382 -17.1382 -13.1856 -13.1855 -12.5268 -12.5263 -10.4932 -10.4922 -9.9689 -9.9686 -8.4963 -8.4961 -8.2036 -8.2034 -6.1487 -6.1474 -5.1466 -5.1444 -4.0713 -4.0572 -3.4558 -3.4446 -3.3129 -3.3060 -2.3812 -2.3774 -1.1774 -1.1770 -0.5531 -0.4367 -0.3457 -0.3260 0.3791 0.4911 0.5845 0.8259 0.9207 0.9559 1.1520 1.3751 1.6072 1.6250 5.1512 5.1828 5.3764 5.3889 5.7424 5.7987 6.0720 6.1360 k = 0.2447-0.4367 0.4284 ( 6398 PWs) bands (ev): -17.1363 -17.1363 -13.1878 -13.1877 -12.5221 -12.5215 -10.4860 -10.4850 -9.9755 -9.9752 -8.4980 -8.4978 -8.2023 -8.2021 -6.1510 -6.1497 -5.1472 -5.1451 -4.0679 -4.0537 -3.4591 -3.4476 -3.3407 -3.3338 -2.3772 -2.3733 -1.1841 -1.1837 -0.5817 -0.4686 -0.3154 -0.2935 0.3672 0.4612 0.5849 0.8181 0.8967 0.9409 1.1299 1.3545 1.6304 1.6455 5.1556 5.1886 5.3967 5.4075 5.7455 5.8017 6.0684 6.1302 k = 0.2553-0.4557 0.4470 ( 6392 PWs) bands (ev): -17.1345 -17.1344 -13.1900 -13.1899 -12.5173 -12.5168 -10.4788 -10.4777 -9.9821 -9.9818 -8.4996 -8.4994 -8.2010 -8.2008 -6.1532 -6.1519 -5.1479 -5.1457 -4.0643 -4.0501 -3.4624 -3.4507 -3.3686 -3.3618 -2.3730 -2.3691 -1.1910 -1.1904 -0.6102 -0.5004 -0.2840 -0.2604 0.3539 0.4306 0.5852 0.8103 0.8699 0.9249 1.1110 1.3338 1.6540 1.6672 5.1605 5.1948 5.4184 5.4275 5.7484 5.8042 6.0633 6.1229 k = 0.2660-0.4747 0.4656 ( 6396 PWs) bands (ev): -17.1326 -17.1325 -13.1921 -13.1921 -12.5125 -12.5120 -10.4715 -10.4704 -9.9887 -9.9884 -8.5012 -8.5010 -8.1996 -8.1995 -6.1554 -6.1541 -5.1485 -5.1463 -4.0605 -4.0463 -3.4659 -3.4539 -3.3963 -3.3898 -2.3688 -2.3648 -1.1978 -1.1972 -0.6384 -0.5319 -0.2520 -0.2269 0.3393 0.3997 0.5852 0.8027 0.8410 0.9082 1.0950 1.3133 1.6779 1.6896 5.1658 5.2014 5.4413 5.4487 5.7510 5.8062 6.0569 6.1142 k = 0.2766-0.4937 0.4842 ( 6380 PWs) bands (ev): -17.1307 -17.1307 -13.1943 -13.1942 -12.5078 -12.5072 -10.4642 -10.4632 -9.9952 -9.9949 -8.5027 -8.5025 -8.1983 -8.1981 -6.1575 -6.1562 -5.1491 -5.1469 -4.0566 -4.0425 -3.4700 -3.4576 -3.4233 -3.4172 -2.3644 -2.3604 -1.2047 -1.2040 -0.6661 -0.5631 -0.2197 -0.1931 0.3232 0.3686 0.5847 0.7951 0.8110 0.8910 1.0815 1.2931 1.7019 1.7125 5.1715 5.2082 5.4652 5.4709 5.7532 5.8075 6.0494 6.1043 k = 0.2872-0.5127 0.5028 ( 6384 PWs) bands (ev): -17.1289 -17.1288 -13.1964 -13.1963 -12.5031 -12.5025 -10.4570 -10.4560 -10.0016 -10.0013 -8.5042 -8.5040 -8.1970 -8.1968 -6.1596 -6.1583 -5.1497 -5.1475 -4.0525 -4.0385 -3.4767 -3.4639 -3.4473 -3.4417 -2.3600 -2.3559 -1.2116 -1.2107 -0.6931 -0.5938 -0.1873 -0.1592 0.3058 0.3377 0.5836 0.7787 0.7894 0.8737 1.0699 1.2735 1.7259 1.7356 5.1776 5.2153 5.4900 5.4939 5.7549 5.8081 6.0411 6.0935 k = 0.2979-0.5317 0.5215 ( 6384 PWs) bands (ev): -17.1270 -17.1270 -13.1985 -13.1984 -12.4985 -12.4979 -10.4499 -10.4489 -10.0079 -10.0076 -8.5056 -8.5054 -8.1957 -8.1955 -6.1616 -6.1603 -5.1502 -5.1480 -4.0483 -4.0346 -3.4920 -3.4811 -3.4623 -3.4550 -2.3556 -2.3515 -1.2183 -1.2174 -0.7194 -0.6238 -0.1549 -0.1254 0.2872 0.3071 0.5818 0.7484 0.7820 0.8565 1.0600 1.2545 1.7498 1.7588 5.1840 5.2226 5.5154 5.5174 5.7561 5.8079 6.0322 6.0821 k = 0.3085-0.5507 0.5401 ( 6384 PWs) bands (ev): -17.1253 -17.1252 -13.2005 -13.2004 -12.4939 -12.4934 -10.4429 -10.4419 -10.0141 -10.0138 -8.5070 -8.5068 -8.1944 -8.1943 -6.1635 -6.1621 -5.1507 -5.1486 -4.0440 -4.0306 -3.5155 -3.5063 -3.4685 -3.4597 -2.3511 -2.3470 -1.2250 -1.2240 -0.7447 -0.6532 -0.1230 -0.0918 0.2673 0.2772 0.5792 0.7181 0.7754 0.8396 1.0515 1.2362 1.7734 1.7817 5.1908 5.2301 5.5410 5.5411 5.7567 5.8067 6.0229 6.0702 k = 0.3191-0.5697 0.5587 ( 6370 PWs) bands (ev): -17.1235 -17.1235 -13.2024 -13.2024 -12.4895 -12.4890 -10.4361 -10.4350 -10.0201 -10.0198 -8.5082 -8.5081 -8.1932 -8.1930 -6.1652 -6.1639 -5.1511 -5.1490 -4.0397 -4.0266 -3.5411 -3.5327 -3.4718 -3.4626 -2.3466 -2.3425 -1.2316 -1.2304 -0.7689 -0.6816 -0.0918 -0.0587 0.2466 0.2484 0.5757 0.6888 0.7692 0.8233 1.0441 1.2186 1.7965 1.8044 5.1980 5.2379 5.5645 5.5668 5.7568 5.8046 6.0136 6.0582 k = 0.3298-0.5887 0.5773 ( 6368 PWs) bands (ev): -17.1218 -17.1218 -13.2043 -13.2042 -12.4852 -12.4847 -10.4294 -10.4284 -10.0259 -10.0256 -8.5095 -8.5093 -8.1920 -8.1918 -6.1669 -6.1656 -5.1515 -5.1495 -4.0353 -4.0226 -3.5668 -3.5588 -3.4742 -3.4649 -2.3422 -2.3381 -1.2381 -1.2368 -0.7921 -0.7092 -0.0618 -0.0263 0.2209 0.2251 0.5712 0.6606 0.7631 0.8078 1.0377 1.2017 1.8192 1.8265 5.2055 5.2458 5.5872 5.5923 5.7564 5.8016 6.0047 6.0464 k = 0.3404-0.6076 0.5960 ( 6372 PWs) bands (ev): -17.1202 -17.1202 -13.2061 -13.2061 -12.4811 -12.4806 -10.4229 -10.4220 -10.0315 -10.0312 -8.5106 -8.5105 -8.1908 -8.1906 -6.1684 -6.1672 -5.1519 -5.1499 -4.0309 -4.0187 -3.5919 -3.5843 -3.4761 -3.4670 -2.3378 -2.3338 -1.2444 -1.2430 -0.8141 -0.7358 -0.0335 0.0050 0.1955 0.2032 0.5657 0.6340 0.7573 0.7934 1.0322 1.1857 1.8411 1.8481 5.2133 5.2538 5.6087 5.6171 5.7557 5.7977 5.9964 6.0351 k = 0.3511-0.6266 0.6146 ( 6366 PWs) bands (ev): -17.1187 -17.1187 -13.2079 -13.2078 -12.4771 -12.4766 -10.4167 -10.4158 -10.0368 -10.0366 -8.5117 -8.5115 -8.1896 -8.1895 -6.1699 -6.1687 -5.1522 -5.1503 -4.0265 -4.0149 -3.6162 -3.6089 -3.4776 -3.4688 -2.3335 -2.3296 -1.2505 -1.2490 -0.8349 -0.7612 -0.0081 0.0348 0.1733 0.1817 0.5592 0.6091 0.7517 0.7801 1.0275 1.1705 1.8623 1.8688 5.2214 5.2620 5.6283 5.6407 5.7550 5.7929 5.9891 6.0246 k = 0.3617-0.6456 0.6332 ( 6360 PWs) bands (ev): -17.1172 -17.1172 -13.2095 -13.2094 -12.4733 -12.4728 -10.4108 -10.4099 -10.0419 -10.0417 -8.5127 -8.5126 -8.1885 -8.1884 -6.1712 -6.1701 -5.1525 -5.1507 -4.0222 -4.0112 -3.6395 -3.6325 -3.4789 -3.4704 -2.3293 -2.3255 -1.2564 -1.2548 -0.8543 -0.7854 0.0124 0.0618 0.1563 0.1617 0.5518 0.5859 0.7463 0.7680 1.0237 1.1560 1.8826 1.8887 5.2298 5.2701 5.6452 5.6626 5.7546 5.7875 5.9831 6.0153 k = 0.3723-0.6646 0.6518 ( 6352 PWs) bands (ev): -17.1158 -17.1158 -13.2110 -13.2110 -12.4697 -12.4693 -10.4051 -10.4043 -10.0466 -10.0465 -8.5136 -8.5135 -8.1875 -8.1873 -6.1724 -6.1713 -5.1527 -5.1510 -4.0180 -4.0077 -3.6615 -3.6549 -3.4800 -3.4719 -2.3252 -2.3216 -1.2620 -1.2603 -0.8723 -0.8084 0.0250 0.0821 0.1472 0.1476 0.5436 0.5646 0.7409 0.7572 1.0206 1.1424 1.9018 1.9075 5.2385 5.2783 5.6585 5.6821 5.7550 5.7818 5.9790 6.0074 k = 0.3830-0.6836 0.6705 ( 6360 PWs) bands (ev): -17.1145 -17.1145 -13.2125 -13.2124 -12.4663 -12.4659 -10.3998 -10.3990 -10.0511 -10.0510 -8.5145 -8.5143 -8.1865 -8.1864 -6.1735 -6.1725 -5.1529 -5.1513 -4.0139 -4.0044 -3.6823 -3.6760 -3.4809 -3.4733 -2.3214 -2.3179 -1.2673 -1.2656 -0.8888 -0.8300 0.0269 0.0857 0.1485 0.1498 0.5348 0.5451 0.7358 0.7477 1.0182 1.1295 1.9200 1.9253 5.2473 5.2864 5.6677 5.6983 5.7566 5.7761 5.9769 6.0015 k = 0.3936-0.7026 0.6891 ( 6366 PWs) bands (ev): -17.1133 -17.1133 -13.2138 -13.2138 -12.4632 -12.4628 -10.3949 -10.3942 -10.0553 -10.0551 -8.5153 -8.5151 -8.1856 -8.1854 -6.1745 -6.1735 -5.1531 -5.1516 -4.0100 -4.0012 -3.7016 -3.6958 -3.4817 -3.4745 -2.3177 -2.3144 -1.2723 -1.2705 -0.9039 -0.8501 0.0200 0.0731 0.1612 0.1650 0.5255 0.5276 0.7307 0.7392 1.0166 1.1174 1.9369 1.9418 5.2563 5.2943 5.6728 5.7101 5.7592 5.7716 5.9771 5.9977 k = 0.4043-0.7216 0.7077 ( 6362 PWs) bands (ev): -17.1122 -17.1122 -13.2150 -13.2150 -12.4603 -12.4600 -10.3903 -10.3897 -10.0591 -10.0590 -8.5160 -8.5158 -8.1847 -8.1846 -6.1753 -6.1745 -5.1532 -5.1519 -4.0063 -3.9983 -3.7194 -3.7140 -3.4822 -3.4757 -2.3142 -2.3112 -1.2769 -1.2752 -0.9173 -0.8688 0.0084 0.0554 0.1774 0.1858 0.5120 0.5162 0.7259 0.7318 1.0156 1.1061 1.9525 1.9570 5.2654 5.3019 5.6743 5.7163 5.7623 5.7691 5.9795 5.9963 k = 0.4149-0.7406 0.7263 ( 6356 PWs) bands (ev): -17.1112 -17.1112 -13.2161 -13.2161 -12.4577 -12.4574 -10.3862 -10.3856 -10.0626 -10.0624 -8.5166 -8.5165 -8.1839 -8.1838 -6.1761 -6.1753 -5.1533 -5.1521 -4.0028 -3.9957 -3.7356 -3.7306 -3.4826 -3.4767 -2.3110 -2.3082 -1.2811 -1.2795 -0.9292 -0.8860 -0.0045 0.0371 0.1954 0.2064 0.4983 0.5069 0.7213 0.7253 1.0154 1.0955 1.9668 1.9708 5.2745 5.3091 5.6733 5.7165 5.7651 5.7691 5.9839 5.9971 k = 0.4255-0.7596 0.7450 ( 6354 PWs) bands (ev): -17.1103 -17.1103 -13.2171 -13.2171 -12.4553 -12.4551 -10.3825 -10.3819 -10.0656 -10.0655 -8.5171 -8.5170 -8.1832 -8.1832 -6.1768 -6.1761 -5.1534 -5.1524 -3.9997 -3.9934 -3.7500 -3.7455 -3.4829 -3.4776 -2.3081 -2.3055 -1.2849 -1.2834 -0.9394 -0.9015 -0.0171 0.0194 0.2132 0.2256 0.4865 0.4979 0.7169 0.7196 1.0157 1.0856 1.9796 1.9832 5.2835 5.3157 5.6710 5.7124 5.7672 5.7705 5.9898 5.9998 k = 0.4362-0.7785 0.7636 ( 6358 PWs) bands (ev): -17.1095 -17.1095 -13.2180 -13.2180 -12.4533 -12.4530 -10.3792 -10.3787 -10.0683 -10.0682 -8.5176 -8.5175 -8.1826 -8.1826 -6.1773 -6.1767 -5.1535 -5.1525 -3.9968 -3.9914 -3.7626 -3.7586 -3.4830 -3.4784 -2.3054 -2.3032 -1.2883 -1.2868 -0.9480 -0.9155 -0.0286 0.0031 0.2301 0.2427 0.4767 0.4893 0.7128 0.7147 1.0167 1.0765 1.9909 1.9940 5.2923 5.3215 5.6680 5.7058 5.7685 5.7719 5.9966 6.0040 k = 0.4468-0.7975 0.7822 ( 6362 PWs) bands (ev): -17.1088 -17.1088 -13.2187 -13.2187 -12.4515 -12.4513 -10.3764 -10.3760 -10.0706 -10.0705 -8.5180 -8.5179 -8.1821 -8.1820 -6.1778 -6.1772 -5.1535 -5.1527 -3.9942 -3.9898 -3.7733 -3.7699 -3.4831 -3.4792 -2.3031 -2.3013 -1.2911 -1.2899 -0.9549 -0.9277 -0.0383 -0.0117 0.2453 0.2573 0.4687 0.4815 0.7092 0.7105 1.0184 1.0680 2.0006 2.0031 5.3006 5.3263 5.6651 5.6981 5.7691 5.7725 6.0037 6.0089 k = 0.4574-0.8165 0.8008 ( 6358 PWs) bands (ev): -17.1083 -17.1083 -13.2193 -13.2193 -12.4501 -12.4499 -10.3741 -10.3738 -10.0725 -10.0724 -8.5183 -8.5182 -8.1817 -8.1816 -6.1781 -6.1777 -5.1535 -5.1529 -3.9920 -3.9885 -3.7821 -3.7793 -3.4830 -3.4799 -2.3012 -2.2997 -1.2935 -1.2924 -0.9600 -0.9383 -0.0460 -0.0245 0.2585 0.2693 0.4627 0.4745 0.7061 0.7070 1.0206 1.0603 2.0086 2.0107 5.3084 5.3299 5.6629 5.6903 5.7693 5.7725 6.0103 6.0140 k = 0.4681-0.8355 0.8195 ( 6366 PWs) bands (ev): -17.1079 -17.1078 -13.2198 -13.2198 -12.4489 -12.4488 -10.3723 -10.3720 -10.0740 -10.0739 -8.5185 -8.5185 -8.1813 -8.1813 -6.1784 -6.1781 -5.1535 -5.1530 -3.9902 -3.9875 -3.7889 -3.7867 -3.4829 -3.4805 -2.2996 -2.2985 -1.2953 -1.2945 -0.9634 -0.9471 -0.0516 -0.0353 0.2695 0.2783 0.4586 0.4684 0.7036 0.7042 1.0234 1.0531 2.0150 2.0165 5.3155 5.3323 5.6616 5.6828 5.7692 5.7720 6.0161 6.0185 k = 0.4787-0.8545 0.8381 ( 6358 PWs) bands (ev): -17.1075 -17.1075 -13.2201 -13.2201 -12.4481 -12.4480 -10.3709 -10.3708 -10.0751 -10.0750 -8.5187 -8.5187 -8.1811 -8.1810 -6.1785 -6.1783 -5.1535 -5.1532 -3.9887 -3.9870 -3.7936 -3.7922 -3.4827 -3.4811 -2.2984 -2.2976 -1.2966 -1.2960 -0.9651 -0.9542 -0.0548 -0.0439 0.2781 0.2843 0.4564 0.4633 0.7018 0.7021 1.0269 1.0466 2.0196 2.0207 5.3216 5.3331 5.6616 5.6761 5.7693 5.7712 6.0206 6.0220 k = 0.4894-0.8735 0.8567 ( 6358 PWs) bands (ev): -17.1074 -17.1073 -13.2203 -13.2203 -12.4476 -12.4476 -10.3701 -10.3700 -10.0757 -10.0757 -8.5188 -8.5188 -8.1809 -8.1809 -6.1786 -6.1785 -5.1534 -5.1533 -3.9877 -3.9868 -3.7964 -3.7956 -3.4824 -3.4816 -2.2976 -2.2972 -1.2973 -1.2970 -0.9650 -0.9596 -0.0557 -0.0502 0.2840 0.2872 0.4558 0.4595 0.7007 0.7008 1.0309 1.0408 2.0225 2.0231 5.3266 5.3325 5.6630 5.6704 5.7694 5.7705 6.0235 6.0242 k = 0.5000-0.8925 0.8753 ( 6358 PWs) bands (ev): -17.1073 -17.1073 -13.2204 -13.2204 -12.4474 -12.4474 -10.3698 -10.3698 -10.0759 -10.0759 -8.5188 -8.5188 -8.1809 -8.1809 -6.1786 -6.1786 -5.1534 -5.1534 -3.9870 -3.9870 -3.7970 -3.7970 -3.4820 -3.4820 -2.2972 -2.2972 -1.2974 -1.2974 -0.9632 -0.9632 -0.0541 -0.0541 0.2871 0.2871 0.4569 0.4569 0.7003 0.7003 1.0355 1.0355 2.0237 2.0237 5.3303 5.3303 5.6660 5.6660 5.7698 5.7698 6.0247 6.0247 k = 0.5000-0.8925 0.8753 ( 6358 PWs) bands (ev): -17.1073 -17.1073 -13.2204 -13.2204 -12.4474 -12.4474 -10.3698 -10.3698 -10.0759 -10.0759 -8.5188 -8.5188 -8.1809 -8.1809 -6.1786 -6.1786 -5.1534 -5.1534 -3.9870 -3.9870 -3.7970 -3.7970 -3.4820 -3.4820 -2.2972 -2.2972 -1.2974 -1.2974 -0.9632 -0.9632 -0.0541 -0.0541 0.2871 0.2871 0.4569 0.4569 0.7003 0.7003 1.0355 1.0355 2.0237 2.0237 5.3303 5.3303 5.6660 5.6660 5.7698 5.7698 6.0247 6.0247 k = 0.5263-0.8850 0.8680 ( 6356 PWs) bands (ev): -17.1073 -17.1073 -13.2204 -13.2204 -12.4475 -12.4475 -10.3694 -10.3694 -10.0758 -10.0758 -8.5189 -8.5189 -8.1814 -8.1814 -6.1790 -6.1789 -5.1534 -5.1532 -3.9872 -3.9854 -3.7970 -3.7969 -3.4813 -3.4811 -2.2969 -2.2969 -1.3024 -1.2943 -0.9693 -0.9614 -0.0620 -0.0398 0.2865 0.2876 0.4482 0.4657 0.6804 0.7200 1.0274 1.0448 2.0194 2.0222 5.3308 5.3313 5.6155 5.6893 5.7476 5.8200 6.0241 6.0242 k = 0.5526-0.8775 0.8606 ( 6358 PWs) bands (ev): -17.1073 -17.1073 -13.2204 -13.2204 -12.4478 -12.4478 -10.3682 -10.3682 -10.0757 -10.0757 -8.5191 -8.5190 -8.1832 -8.1831 -6.1800 -6.1800 -5.1534 -5.1530 -3.9859 -3.9823 -3.7967 -3.7965 -3.4790 -3.4786 -2.2961 -2.2961 -1.3090 -1.2933 -0.9797 -0.9642 -0.0638 -0.0190 0.2858 0.2882 0.4409 0.4729 0.6615 0.7386 1.0204 1.0550 2.0093 2.0149 5.3327 5.3339 5.5635 5.6486 5.7902 5.8727 6.0226 6.0228 k = 0.5789-0.8699 0.8532 ( 6364 PWs) bands (ev): -17.1073 -17.1073 -13.2204 -13.2204 -12.4483 -12.4483 -10.3662 -10.3661 -10.0755 -10.0754 -8.5194 -8.5193 -8.1860 -8.1860 -6.1818 -6.1817 -5.1534 -5.1528 -3.9831 -3.9778 -3.7962 -3.7960 -3.4753 -3.4746 -2.2947 -2.2947 -1.3172 -1.2942 -0.9936 -0.9710 -0.0607 0.0082 0.2852 0.2886 0.4361 0.4766 0.6454 0.7555 1.0147 1.0660 1.9935 2.0020 5.3359 5.3380 5.5126 5.5977 5.8438 5.9252 6.0201 6.0205 k = 0.6053-0.8624 0.8458 ( 6364 PWs) bands (ev): -17.1073 -17.1073 -13.2204 -13.2204 -12.4490 -12.4489 -10.3635 -10.3634 -10.0752 -10.0751 -8.5198 -8.5197 -8.1898 -8.1898 -6.1842 -6.1840 -5.1533 -5.1526 -3.9789 -3.9721 -3.7956 -3.7953 -3.4702 -3.4692 -2.2929 -2.2928 -1.3268 -1.2972 -1.0105 -0.9816 -0.0538 0.0409 0.2846 0.2891 0.4350 0.4745 0.6343 0.7705 1.0105 1.0777 1.9721 1.9836 5.3398 5.3435 5.4638 5.5462 5.8984 5.9763 6.0168 6.0181 k = 0.6316-0.8549 0.8385 ( 6368 PWs) bands (ev): -17.1073 -17.1073 -13.2204 -13.2204 -12.4498 -12.4497 -10.3601 -10.3599 -10.0748 -10.0747 -8.5203 -8.5201 -8.1945 -8.1945 -6.1871 -6.1869 -5.1532 -5.1523 -3.9733 -3.9651 -3.7947 -3.7944 -3.4639 -3.4627 -2.2906 -2.2903 -1.3373 -1.3021 -1.0295 -0.9950 -0.0448 0.0784 0.2843 0.2897 0.4387 0.4650 0.6298 0.7832 1.0078 1.0899 1.9454 1.9601 5.3428 5.3502 5.4190 5.4956 5.9522 6.0078 6.0135 6.0334 k = 0.6579-0.8474 0.8311 ( 6372 PWs) bands (ev): -17.1073 -17.1073 -13.2204 -13.2204 -12.4508 -12.4507 -10.3561 -10.3559 -10.0744 -10.0743 -8.5208 -8.5207 -8.2001 -8.2000 -6.1905 -6.1903 -5.1530 -5.1520 -3.9666 -3.9572 -3.7937 -3.7934 -3.4565 -3.4551 -2.2879 -2.2874 -1.3487 -1.3089 -1.0498 -1.0108 -0.0351 0.1197 0.2841 0.2904 0.4479 0.4486 0.6317 0.7937 1.0065 1.1026 1.9136 1.9317 5.3372 5.3579 5.3862 5.4466 5.9951 6.0052 6.0194 6.0807 k = 0.6842-0.8399 0.8237 ( 6364 PWs) bands (ev): -17.1072 -17.1072 -13.2204 -13.2204 -12.4518 -12.4517 -10.3516 -10.3514 -10.0740 -10.0738 -8.5215 -8.5213 -8.2062 -8.2062 -6.1943 -6.1941 -5.1527 -5.1516 -3.9587 -3.9485 -3.7926 -3.7922 -3.4485 -3.4468 -2.2848 -2.2841 -1.3605 -1.3173 -1.0708 -1.0282 -0.0259 0.1632 0.2842 0.2913 0.4276 0.4633 0.6385 0.8022 1.0065 1.1157 1.8770 1.8988 5.3098 5.3651 5.3787 5.4007 5.9973 5.9996 6.0641 6.1286 k = 0.7105-0.8324 0.8164 ( 6366 PWs) bands (ev): -17.1072 -17.1072 -13.2204 -13.2204 -12.4529 -12.4528 -10.3468 -10.3465 -10.0735 -10.0734 -8.5221 -8.5219 -8.2129 -8.2128 -6.1983 -6.1981 -5.1524 -5.1513 -3.9500 -3.9392 -3.7914 -3.7910 -3.4398 -3.4380 -2.2815 -2.2804 -1.3724 -1.3270 -1.0918 -1.0466 -0.0180 0.2066 0.2846 0.2930 0.4051 0.4850 0.6485 0.8090 1.0074 1.1291 1.8360 1.8619 5.2731 5.3488 5.3812 5.3839 5.9917 5.9931 6.1144 6.1747 k = 0.7368-0.8249 0.8090 ( 6354 PWs) bands (ev): -17.1072 -17.1072 -13.2204 -13.2204 -12.4541 -12.4540 -10.3417 -10.3414 -10.0731 -10.0729 -8.5228 -8.5226 -8.2198 -8.2198 -6.2025 -6.2023 -5.1521 -5.1509 -3.9407 -3.9295 -3.7902 -3.7897 -3.4309 -3.4290 -2.2779 -2.2765 -1.3842 -1.3379 -1.1122 -1.0655 -0.0115 0.2443 0.2850 0.2959 0.3865 0.5123 0.6606 0.8148 1.0089 1.1428 1.7910 1.8214 5.2367 5.3077 5.3894 5.3924 5.9850 5.9862 6.1633 6.2185 k = 0.7632-0.8173 0.8016 ( 6354 PWs) bands (ev): -17.1072 -17.1072 -13.2204 -13.2204 -12.4553 -12.4552 -10.3364 -10.3362 -10.0726 -10.0724 -8.5235 -8.5233 -8.2269 -8.2268 -6.2068 -6.2066 -5.1518 -5.1506 -3.9309 -3.9198 -3.7888 -3.7883 -3.4220 -3.4199 -2.2742 -2.2724 -1.3955 -1.3494 -1.1314 -1.0845 -0.0063 0.2660 0.2854 0.2972 0.3854 0.5440 0.6743 0.8206 1.0106 1.1567 1.7424 1.7779 5.2026 5.2677 5.3996 5.4019 5.9779 5.9789 6.2098 6.2596 k = 0.7895-0.8098 0.7943 ( 6366 PWs) bands (ev): -17.1072 -17.1072 -13.2204 -13.2204 -12.4565 -12.4564 -10.3312 -10.3310 -10.0722 -10.0720 -8.5241 -8.5239 -8.2338 -8.2338 -6.2110 -6.2108 -5.1514 -5.1503 -3.9211 -3.9102 -3.7875 -3.7870 -3.4133 -3.4112 -2.2704 -2.2683 -1.4060 -1.3613 -1.1492 -1.1033 -0.0016 0.2676 0.2858 0.2902 0.4122 0.5779 0.6894 0.8279 1.0120 1.1709 1.6908 1.7320 5.1717 5.2304 5.4100 5.4119 5.9705 5.9715 6.2533 6.2976 k = 0.8158-0.8023 0.7869 ( 6360 PWs) bands (ev): -17.1072 -17.1072 -13.2204 -13.2204 -12.4576 -12.4575 -10.3262 -10.3260 -10.0718 -10.0717 -8.5247 -8.5246 -8.2405 -8.2405 -6.2150 -6.2148 -5.1511 -5.1500 -3.9113 -3.9011 -3.7862 -3.7857 -3.4050 -3.4029 -2.2667 -2.2644 -1.4154 -1.3733 -1.1651 -1.1214 0.0031 0.2502 0.2862 0.2868 0.4533 0.6112 0.7061 0.8385 1.0129 1.1853 1.6367 1.6845 5.1443 5.1964 5.4201 5.4217 5.9633 5.9642 6.2933 6.3321 k = 0.8421-0.7948 0.7795 ( 6358 PWs) bands (ev): -17.1071 -17.1071 -13.2204 -13.2204 -12.4586 -12.4585 -10.3215 -10.3213 -10.0715 -10.0714 -8.5253 -8.5251 -8.2467 -8.2467 -6.2187 -6.2186 -5.1507 -5.1498 -3.9020 -3.8926 -3.7850 -3.7845 -3.3973 -3.3954 -2.2631 -2.2607 -1.4234 -1.3850 -1.1788 -1.1386 0.0085 0.2248 0.2865 0.2866 0.4972 0.6403 0.7249 0.8546 1.0135 1.1998 1.5808 1.6362 5.1206 5.1658 5.4298 5.4310 5.9564 5.9571 6.3295 6.3626 k = 0.8684-0.7873 0.7721 ( 6360 PWs) bands (ev): -17.1071 -17.1071 -13.2204 -13.2204 -12.4595 -12.4595 -10.3172 -10.3170 -10.0712 -10.0711 -8.5258 -8.5256 -8.2523 -8.2523 -6.2221 -6.2219 -5.1504 -5.1496 -3.8934 -3.8852 -3.7839 -3.7834 -3.3905 -3.3887 -2.2597 -2.2573 -1.4299 -1.3961 -1.1901 -1.1545 0.0151 0.1977 0.2867 0.2867 0.5389 0.6619 0.7466 0.8770 1.0147 1.2143 1.5243 1.5878 5.1009 5.1389 5.4386 5.4396 5.9500 5.9507 6.3613 6.3888 k = 0.8947-0.7798 0.7648 ( 6368 PWs) bands (ev): -17.1071 -17.1071 -13.2204 -13.2204 -12.4603 -12.4603 -10.3135 -10.3134 -10.0710 -10.0709 -8.5262 -8.5261 -8.2571 -8.2571 -6.2249 -6.2248 -5.1501 -5.1494 -3.8858 -3.8789 -3.7829 -3.7825 -3.3847 -3.3831 -2.2567 -2.2545 -1.4345 -1.4064 -1.1988 -1.1689 0.0235 0.1710 0.2869 0.2869 0.5759 0.6748 0.7716 0.9017 1.0202 1.2278 1.4689 1.5405 5.0852 5.1159 5.4463 5.4471 5.9444 5.9450 6.3883 6.4103 k = 0.9211-0.7723 0.7574 ( 6378 PWs) bands (ev): -17.1071 -17.1071 -13.2204 -13.2204 -12.4610 -12.4609 -10.3105 -10.3104 -10.0709 -10.0708 -8.5266 -8.5265 -8.2610 -8.2610 -6.2273 -6.2272 -5.1498 -5.1493 -3.8794 -3.8741 -3.7820 -3.7817 -3.3799 -3.3787 -2.2542 -2.2523 -1.4374 -1.4155 -1.2047 -1.1814 0.0340 0.1454 0.2870 0.2870 0.6066 0.6799 0.7997 0.9185 1.0378 1.2375 1.4187 1.4954 5.0738 5.0970 5.4527 5.4532 5.9398 5.9403 6.4104 6.4268 k = 0.9474-0.7647 0.7500 ( 6376 PWs) bands (ev): -17.1071 -17.1071 -13.2204 -13.2204 -12.4614 -12.4614 -10.3083 -10.3082 -10.0708 -10.0707 -8.5268 -8.5268 -8.2639 -8.2639 -6.2290 -6.2289 -5.1496 -5.1492 -3.8744 -3.8708 -3.7814 -3.7811 -3.3764 -3.3756 -2.2522 -2.2508 -1.4383 -1.4234 -1.2077 -1.1918 0.0467 0.1213 0.2871 0.2871 0.6310 0.6791 0.8297 0.9194 1.0723 1.2351 1.3832 1.4540 5.0668 5.0823 5.4574 5.4577 5.9364 5.9367 6.4271 6.4380 k = 0.9737-0.7572 0.7427 ( 6372 PWs) bands (ev): -17.1071 -17.1071 -13.2204 -13.2204 -12.4617 -12.4617 -10.3069 -10.3069 -10.0707 -10.0706 -8.5270 -8.5269 -8.2656 -8.2656 -6.2300 -6.2299 -5.1494 -5.1492 -3.8709 -3.8691 -3.7809 -3.7808 -3.3741 -3.3737 -2.2508 -2.2501 -1.4373 -1.4297 -1.2079 -1.1998 0.0618 0.0993 0.2872 0.2872 0.6498 0.6735 0.8592 0.9069 1.1181 1.2100 1.3744 1.4177 5.0640 5.0718 5.4603 5.4605 5.9343 5.9345 6.4383 6.4437 k = 1.0000-0.7497 0.7353 ( 6376 PWs) bands (ev): -17.1071 -17.1071 -13.2204 -13.2204 -12.4618 -12.4618 -10.3064 -10.3064 -10.0706 -10.0706 -8.5270 -8.5270 -8.2662 -8.2662 -6.2303 -6.2303 -5.1493 -5.1493 -3.8692 -3.8692 -3.7807 -3.7807 -3.3732 -3.3732 -2.2500 -2.2500 -1.4344 -1.4344 -1.2052 -1.2052 0.0794 0.0794 0.2872 0.2872 0.6637 0.6637 0.8858 0.8858 1.1669 1.1669 1.3894 1.3894 5.0657 5.0657 5.4614 5.4614 5.9337 5.9337 6.4438 6.4438 k = 1.0000-0.7497 0.7353 ( 6376 PWs) bands (ev): -17.1071 -17.1071 -13.2204 -13.2204 -12.4618 -12.4618 -10.3064 -10.3064 -10.0706 -10.0706 -8.5270 -8.5270 -8.2662 -8.2662 -6.2303 -6.2303 -5.1493 -5.1493 -3.8692 -3.8692 -3.7807 -3.7807 -3.3732 -3.3732 -2.2500 -2.2500 -1.4344 -1.4344 -1.2052 -1.2052 0.0794 0.0794 0.2872 0.2872 0.6637 0.6637 0.8858 0.8858 1.1669 1.1669 1.3894 1.3894 5.0657 5.0657 5.4614 5.4614 5.9337 5.9337 6.4438 6.4438 k = 0.9894-0.7307 0.7167 ( 6368 PWs) bands (ev): -17.1072 -17.1072 -13.2203 -13.2203 -12.4620 -12.4620 -10.3065 -10.3065 -10.0705 -10.0705 -8.5269 -8.5269 -8.2665 -8.2664 -6.2303 -6.2302 -5.1494 -5.1492 -3.8699 -3.8684 -3.7809 -3.7786 -3.3735 -3.3730 -2.2502 -2.2499 -1.4435 -1.4256 -1.2115 -1.1962 0.0786 0.0803 0.2862 0.2864 0.6582 0.6684 0.8763 0.8953 1.1644 1.1715 1.3700 1.4102 5.0651 5.0675 5.4597 5.4611 5.9317 5.9319 6.4427 6.4460 k = 0.9787-0.7117 0.6980 ( 6376 PWs) bands (ev): -17.1074 -17.1074 -13.2201 -13.2201 -12.4626 -12.4625 -10.3068 -10.3068 -10.0702 -10.0702 -8.5267 -8.5267 -8.2671 -8.2670 -6.2303 -6.2300 -5.1495 -5.1491 -3.8705 -3.8677 -3.7788 -3.7744 -3.3737 -3.3727 -2.2503 -2.2497 -1.4527 -1.4177 -1.2147 -1.1849 0.0781 0.0811 0.2836 0.2836 0.6520 0.6721 0.8667 0.9047 1.1641 1.1778 1.3524 1.4322 5.0655 5.0704 5.4562 5.4590 5.9261 5.9264 6.4425 6.4491 k = 0.9681-0.6927 0.6794 ( 6370 PWs) bands (ev): -17.1077 -17.1077 -13.2198 -13.2198 -12.4635 -12.4634 -10.3073 -10.3072 -10.0696 -10.0696 -8.5263 -8.5263 -8.2681 -8.2680 -6.2301 -6.2296 -5.1496 -5.1490 -3.8709 -3.8670 -3.7747 -3.7683 -3.3738 -3.3724 -2.2504 -2.2496 -1.4617 -1.4111 -1.2142 -1.1714 0.0778 0.0818 0.2789 0.2796 0.6451 0.6750 0.8573 0.9141 1.1660 1.1855 1.3371 1.4553 5.0671 5.0743 5.4510 5.4551 5.9170 5.9174 6.4433 6.4530 k = 0.9574-0.6738 0.6608 ( 6374 PWs) bands (ev): -17.1081 -17.1081 -13.2193 -13.2193 -12.4648 -12.4646 -10.3079 -10.3078 -10.0689 -10.0689 -8.5258 -8.5257 -8.2695 -8.2694 -6.2298 -6.2292 -5.1497 -5.1489 -3.8711 -3.8665 -3.7684 -3.7604 -3.3739 -3.3721 -2.2505 -2.2494 -1.4703 -1.4063 -1.2097 -1.1560 0.0777 0.0820 0.2723 0.2746 0.6379 0.6771 0.8480 0.9235 1.1700 1.1938 1.3245 1.4792 5.0696 5.0794 5.4440 5.4493 5.9045 5.9049 6.4449 6.4577 k = 0.9468-0.6548 0.6422 ( 6370 PWs) bands (ev): -17.1086 -17.1086 -13.2187 -13.2187 -12.4664 -12.4662 -10.3087 -10.3086 -10.0679 -10.0679 -8.5251 -8.5251 -8.2714 -8.2712 -6.2294 -6.2286 -5.1498 -5.1488 -3.8711 -3.8659 -3.7600 -3.7507 -3.3740 -3.3717 -2.2505 -2.2492 -1.4786 -1.4035 -1.2008 -1.1388 0.0776 0.0812 0.2638 0.2690 0.6304 0.6784 0.8391 0.9328 1.1760 1.2015 1.3157 1.5037 5.0732 5.0854 5.4355 5.4419 5.8889 5.8893 6.4472 6.4630 k = 0.9362-0.6358 0.6236 ( 6358 PWs) bands (ev): -17.1093 -17.1093 -13.2180 -13.2179 -12.4684 -12.4681 -10.3097 -10.3096 -10.0667 -10.0667 -8.5243 -8.5242 -8.2735 -8.2733 -6.2289 -6.2280 -5.1499 -5.1487 -3.8709 -3.8654 -3.7496 -3.7393 -3.3740 -3.3712 -2.2505 -2.2490 -1.4865 -1.4030 -1.1875 -1.1197 0.0775 0.0791 0.2537 0.2632 0.6228 0.6791 0.8307 0.9422 1.1836 1.2074 1.3118 1.5288 5.0777 5.0925 5.4256 5.4330 5.8704 5.8707 6.4499 6.4687 k = 0.9255-0.6168 0.6049 ( 6368 PWs) bands (ev): -17.1101 -17.1101 -13.2171 -13.2171 -12.4707 -12.4704 -10.3109 -10.3107 -10.0653 -10.0653 -8.5234 -8.5232 -8.2761 -8.2758 -6.2282 -6.2272 -5.1499 -5.1486 -3.8704 -3.8650 -3.7373 -3.7262 -3.3739 -3.3708 -2.2505 -2.2488 -1.4940 -1.4044 -1.1701 -1.0990 0.0751 0.0769 0.2423 0.2580 0.6153 0.6795 0.8228 0.9515 1.1928 1.2105 1.3134 1.5541 5.0831 5.1005 5.4144 5.4226 5.8494 5.8495 6.4531 6.4747 k = 0.9149-0.5978 0.5863 ( 6364 PWs) bands (ev): -17.1110 -17.1110 -13.2161 -13.2161 -12.4733 -12.4730 -10.3122 -10.3120 -10.0637 -10.0637 -8.5223 -8.5221 -8.2790 -8.2787 -6.2274 -6.2263 -5.1500 -5.1484 -3.8697 -3.8644 -3.7232 -3.7115 -3.3738 -3.3703 -2.2505 -2.2486 -1.5011 -1.4074 -1.1490 -1.0765 0.0685 0.0754 0.2302 0.2540 0.6079 0.6797 0.8157 0.9607 1.2032 1.2106 1.3205 1.5796 5.0892 5.1093 5.4022 5.4110 5.8260 5.8262 6.4565 6.4808 k = 0.9043-0.5788 0.5677 ( 6372 PWs) bands (ev): -17.1120 -17.1120 -13.2150 -13.2150 -12.4763 -12.4759 -10.3137 -10.3135 -10.0619 -10.0619 -8.5210 -8.5209 -8.2822 -8.2818 -6.2266 -6.2253 -5.1500 -5.1483 -3.8689 -3.8639 -3.7073 -3.6952 -3.3736 -3.3698 -2.2504 -2.2483 -1.5078 -1.4117 -1.1245 -1.0524 0.0589 0.0722 0.2183 0.2516 0.6009 0.6798 0.8094 0.9698 1.2087 1.2147 1.3319 1.6051 5.0960 5.1189 5.3892 5.3983 5.8005 5.8009 6.4599 6.4870 k = 0.8936-0.5598 0.5491 ( 6376 PWs) bands (ev): -17.1131 -17.1131 -13.2138 -13.2137 -12.4796 -12.4791 -10.3153 -10.3151 -10.0599 -10.0599 -8.5196 -8.5195 -8.2857 -8.2853 -6.2255 -6.2242 -5.1500 -5.1482 -3.8678 -3.8632 -3.6899 -3.6774 -3.3734 -3.3693 -2.2503 -2.2481 -1.5143 -1.4170 -1.0972 -1.0267 0.0460 0.0664 0.2076 0.2513 0.5944 0.6801 0.8040 0.9787 1.2060 1.2270 1.3461 1.6304 5.1034 5.1292 5.3756 5.3847 5.7732 5.7740 6.4634 6.4930 k = 0.8830-0.5408 0.5304 ( 6364 PWs) bands (ev): -17.1143 -17.1143 -13.2124 -13.2124 -12.4831 -12.4826 -10.3171 -10.3169 -10.0578 -10.0578 -8.5181 -8.5179 -8.2894 -8.2890 -6.2243 -6.2228 -5.1500 -5.1480 -3.8666 -3.8625 -3.6709 -3.6582 -3.3731 -3.3687 -2.2502 -2.2478 -1.5205 -1.4230 -1.0672 -0.9994 0.0298 0.0569 0.1993 0.2532 0.5883 0.6808 0.7996 0.9874 1.2033 1.2399 1.3620 1.6553 5.1111 5.1399 5.3616 5.3705 5.7446 5.7457 6.4668 6.4989 k = 0.8723-0.5218 0.5118 ( 6364 PWs) bands (ev): -17.1156 -17.1156 -13.2109 -13.2109 -12.4869 -12.4863 -10.3190 -10.3188 -10.0556 -10.0555 -8.5164 -8.5162 -8.2934 -8.2930 -6.2229 -6.2214 -5.1499 -5.1478 -3.8653 -3.8616 -3.6505 -3.6377 -3.3727 -3.3680 -2.2501 -2.2476 -1.5265 -1.4295 -1.0349 -0.9706 0.0106 0.0431 0.1942 0.2570 0.5828 0.6819 0.7961 0.9958 1.2013 1.2534 1.3788 1.6798 5.1190 5.1511 5.3476 5.3559 5.7149 5.7163 6.4700 6.5045 k = 0.8617-0.5029 0.4932 ( 6358 PWs) bands (ev): -17.1170 -17.1170 -13.2094 -13.2093 -12.4909 -12.4903 -10.3210 -10.3208 -10.0531 -10.0531 -8.5146 -8.5144 -8.2976 -8.2972 -6.2214 -6.2198 -5.1498 -5.1476 -3.8639 -3.8607 -3.6288 -3.6159 -3.3722 -3.3674 -2.2499 -2.2473 -1.5322 -1.4364 -1.0007 -0.9404 -0.0114 0.0249 0.1925 0.2625 0.5778 0.6836 0.7937 1.0038 1.2002 1.2672 1.3959 1.7036 5.1268 5.1624 5.3337 5.3410 5.6844 5.6862 6.4730 6.5098 k = 0.8511-0.4839 0.4746 ( 6368 PWs) bands (ev): -17.1184 -17.1184 -13.2077 -13.2077 -12.4952 -12.4946 -10.3232 -10.3229 -10.0506 -10.0506 -8.5127 -8.5125 -8.3021 -8.3016 -6.2198 -6.2181 -5.1497 -5.1474 -3.8623 -3.8596 -3.6060 -3.5930 -3.3717 -3.3667 -2.2497 -2.2470 -1.5378 -1.4435 -0.9646 -0.9088 -0.0358 0.0028 0.1939 0.2695 0.5736 0.6860 0.7922 1.0117 1.2002 1.2811 1.4129 1.7266 5.1343 5.1737 5.3204 5.3262 5.6534 5.6555 6.4758 6.5149 k = 0.8404-0.4649 0.4559 ( 6364 PWs) bands (ev): -17.1200 -17.1200 -13.2060 -13.2059 -12.4997 -12.4990 -10.3254 -10.3251 -10.0479 -10.0479 -8.5106 -8.5104 -8.3066 -8.3061 -6.2179 -6.2162 -5.1495 -5.1471 -3.8606 -3.8585 -3.5821 -3.5691 -3.3710 -3.3659 -2.2494 -2.2467 -1.5432 -1.4508 -0.9269 -0.8759 -0.0621 -0.0224 0.1979 0.2776 0.5701 0.6891 0.7917 1.0192 1.2013 1.2952 1.4295 1.7486 5.1412 5.1847 5.3080 5.3119 5.6223 5.6247 6.4783 6.5195 k = 0.8298-0.4459 0.4373 ( 6368 PWs) bands (ev): -17.1216 -17.1216 -13.2041 -13.2041 -12.5043 -12.5037 -10.3277 -10.3275 -10.0451 -10.0451 -8.5085 -8.5082 -8.3113 -8.3108 -6.2159 -6.2141 -5.1493 -5.1469 -3.8589 -3.8572 -3.5573 -3.5443 -3.3703 -3.3651 -2.2491 -2.2464 -1.5485 -1.4582 -0.8878 -0.8419 -0.0901 -0.0501 0.2037 0.2866 0.5672 0.6932 0.7922 1.0264 1.2035 1.3091 1.4455 1.7695 5.1471 5.1948 5.2969 5.2984 5.5913 5.5939 6.4805 6.5239 k = 0.8191-0.4269 0.4187 ( 6372 PWs) bands (ev): -17.1233 -17.1232 -13.2022 -13.2022 -12.5092 -12.5085 -10.3302 -10.3299 -10.0423 -10.0423 -8.5062 -8.5060 -8.3162 -8.3156 -6.2137 -6.2119 -5.1491 -5.1466 -3.8571 -3.8558 -3.5317 -3.5187 -3.3695 -3.3643 -2.2488 -2.2461 -1.5536 -1.4655 -0.8475 -0.8069 -0.1194 -0.0797 0.2111 0.2962 0.5652 0.6981 0.7936 1.0335 1.2067 1.3229 1.4606 1.7891 5.1515 5.2033 5.2866 5.2874 5.5607 5.5636 6.4824 6.5279 k = 0.8085-0.4079 0.4001 ( 6376 PWs) bands (ev): -17.1250 -17.1250 -13.2003 -13.2002 -12.5141 -12.5134 -10.3327 -10.3324 -10.0393 -10.0393 -8.5038 -8.5036 -8.3211 -8.3205 -6.2114 -6.2095 -5.1488 -5.1462 -3.8552 -3.8544 -3.5055 -3.4925 -3.3686 -3.3634 -2.2484 -2.2457 -1.5585 -1.4729 -0.8061 -0.7711 -0.1497 -0.1106 0.2197 0.3063 0.5639 0.7039 0.7958 1.0403 1.2108 1.3365 1.4746 1.8074 5.1541 5.2089 5.2778 5.2800 5.5309 5.5339 6.4841 6.5316 k = 0.7979-0.3889 0.3814 ( 6354 PWs) bands (ev): -17.1267 -17.1267 -13.1982 -13.1981 -12.5192 -12.5185 -10.3352 -10.3349 -10.0363 -10.0363 -8.5013 -8.5011 -8.3260 -8.3254 -6.2089 -6.2069 -5.1484 -5.1458 -3.8532 -3.8528 -3.4787 -3.4658 -3.3675 -3.3625 -2.2479 -2.2453 -1.5632 -1.4801 -0.7640 -0.7345 -0.1807 -0.1426 0.2292 0.3166 0.5634 0.7107 0.7989 1.0469 1.2159 1.3497 1.4875 1.8241 5.1546 5.2101 5.2733 5.2749 5.5021 5.5052 6.4856 6.5349 k = 0.7872-0.3699 0.3628 ( 6346 PWs) bands (ev): -17.1286 -17.1285 -13.1961 -13.1960 -12.5244 -12.5237 -10.3378 -10.3375 -10.0333 -10.0333 -8.4988 -8.4985 -8.3309 -8.3303 -6.2062 -6.2043 -5.1481 -5.1454 -3.8512 -3.8512 -3.4518 -3.4387 -3.3662 -3.3614 -2.2475 -2.2449 -1.5678 -1.4873 -0.7212 -0.6973 -0.2121 -0.1752 0.2394 0.3271 0.5637 0.7185 0.8028 1.0533 1.2217 1.3625 1.4991 1.8392 5.1532 5.2063 5.2718 5.2737 5.4747 5.4779 6.4868 6.5379 k = 0.7766-0.3509 0.3442 ( 6356 PWs) bands (ev): -17.1304 -17.1304 -13.1940 -13.1939 -12.5297 -12.5290 -10.3405 -10.3401 -10.0302 -10.0302 -8.4961 -8.4959 -8.3359 -8.3353 -6.2034 -6.2014 -5.1476 -5.1450 -3.8496 -3.8492 -3.4249 -3.4115 -3.3644 -3.3602 -2.2469 -2.2444 -1.5722 -1.4943 -0.6779 -0.6597 -0.2438 -0.2082 0.2502 0.3375 0.5647 0.7272 0.8075 1.0594 1.2284 1.3749 1.5094 1.8526 5.1499 5.1989 5.2706 5.2774 5.4488 5.4521 6.4878 6.5406 k = 0.7660-0.3319 0.3256 ( 6360 PWs) bands (ev): -17.1323 -17.1322 -13.1918 -13.1917 -12.5351 -12.5343 -10.3431 -10.3428 -10.0271 -10.0271 -8.4934 -8.4932 -8.3408 -8.3402 -6.2004 -6.1985 -5.1472 -5.1446 -3.8478 -3.8471 -3.3991 -3.3849 -3.3615 -3.3582 -2.2464 -2.2439 -1.5763 -1.5011 -0.6344 -0.6219 -0.2755 -0.2413 0.2613 0.3478 0.5666 0.7368 0.8129 1.0653 1.2357 1.3866 1.5182 1.8641 5.1454 5.1899 5.2705 5.2824 5.4249 5.4284 6.4886 6.5430 k = 0.7553-0.3130 0.3069 ( 6362 PWs) bands (ev): -17.1341 -17.1341 -13.1896 -13.1895 -12.5404 -12.5397 -10.3458 -10.3455 -10.0240 -10.0240 -8.4907 -8.4904 -8.3457 -8.3451 -6.1973 -6.1954 -5.1467 -5.1441 -3.8460 -3.8450 -3.3784 -3.3647 -3.3534 -3.3500 -2.2458 -2.2434 -1.5802 -1.5078 -0.5909 -0.5841 -0.3068 -0.2744 0.2727 0.3579 0.5693 0.7474 0.8191 1.0707 1.2438 1.3978 1.5256 1.8738 5.1402 5.1803 5.2709 5.2872 5.4032 5.4071 6.4893 6.5452 k = 0.7447-0.2940 0.2883 ( 6370 PWs) bands (ev): -17.1360 -17.1360 -13.1874 -13.1873 -12.5458 -12.5451 -10.3485 -10.3482 -10.0210 -10.0209 -8.4879 -8.4876 -8.3505 -8.3499 -6.1942 -6.1922 -5.1462 -5.1436 -3.8442 -3.8430 -3.3693 -3.3600 -3.3337 -3.3263 -2.2451 -2.2428 -1.5839 -1.5142 -0.5475 -0.5468 -0.3374 -0.3071 0.2843 0.3676 0.5729 0.7587 0.8258 1.0757 1.2525 1.4084 1.5315 1.8816 5.1346 5.1708 5.2712 5.2909 5.3841 5.3887 6.4898 6.5471 k = 0.7340-0.2750 0.2697 ( 6360 PWs) bands (ev): -17.1379 -17.1379 -13.1852 -13.1851 -12.5511 -12.5504 -10.3511 -10.3508 -10.0179 -10.0179 -8.4850 -8.4848 -8.3552 -8.3546 -6.1909 -6.1890 -5.1456 -5.1430 -3.8423 -3.8409 -3.3660 -3.3584 -3.3085 -3.2998 -2.2444 -2.2422 -1.5873 -1.5204 -0.5106 -0.5045 -0.3664 -0.3393 0.2958 0.3769 0.5772 0.7708 0.8332 1.0802 1.2618 1.4182 1.5360 1.8874 5.1291 5.1617 5.2709 5.2925 5.3678 5.3740 6.4901 6.5487 k = 0.7234-0.2560 0.2511 ( 6372 PWs) bands (ev): -17.1398 -17.1397 -13.1830 -13.1829 -12.5565 -12.5557 -10.3538 -10.3535 -10.0149 -10.0149 -8.4822 -8.4819 -8.3598 -8.3592 -6.1875 -6.1857 -5.1450 -5.1425 -3.8405 -3.8388 -3.3641 -3.3572 -3.2823 -3.2732 -2.2436 -2.2415 -1.5905 -1.5263 -0.4781 -0.4624 -0.3914 -0.3706 0.3073 0.3857 0.5825 0.7835 0.8412 1.0842 1.2716 1.4273 1.5392 1.8913 5.1238 5.1532 5.2695 5.2914 5.3547 5.3636 6.4904 6.5501 k = 0.7128-0.2370 0.2324 ( 6376 PWs) bands (ev): -17.1416 -17.1416 -13.1808 -13.1807 -12.5617 -12.5610 -10.3564 -10.3561 -10.0119 -10.0119 -8.4793 -8.4791 -8.3643 -8.3636 -6.1841 -6.1823 -5.1444 -5.1419 -3.8386 -3.8368 -3.3625 -3.3561 -3.2562 -3.2471 -2.2428 -2.2408 -1.5934 -1.5320 -0.4612 -0.4247 -0.4005 -0.3972 0.3185 0.3939 0.5885 0.7967 0.8498 1.0875 1.2819 1.4356 1.5411 1.8932 5.1190 5.1453 5.2671 5.2877 5.3448 5.3574 6.4905 6.5512 k = 0.7021-0.2180 0.2138 ( 6374 PWs) bands (ev): -17.1434 -17.1434 -13.1786 -13.1785 -12.5669 -12.5662 -10.3590 -10.3587 -10.0090 -10.0090 -8.4765 -8.4762 -8.3686 -8.3679 -6.1806 -6.1788 -5.1437 -5.1414 -3.8367 -3.8348 -3.3612 -3.3552 -3.2305 -3.2215 -2.2419 -2.2401 -1.5960 -1.5374 -0.4736 -0.4354 -0.3799 -0.3755 0.3295 0.4016 0.5955 0.8102 0.8588 1.0903 1.2925 1.4431 1.5420 1.8932 5.1147 5.1382 5.2635 5.2821 5.3381 5.3546 6.4905 6.5521 k = 0.6915-0.1990 0.1952 ( 6378 PWs) bands (ev): -17.1452 -17.1452 -13.1765 -13.1764 -12.5719 -12.5712 -10.3615 -10.3612 -10.0062 -10.0062 -8.4737 -8.4734 -8.3727 -8.3721 -6.1771 -6.1754 -5.1431 -5.1408 -3.8348 -3.8328 -3.3600 -3.3542 -3.2055 -3.1967 -2.2410 -2.2393 -1.5983 -1.5425 -0.4969 -0.4635 -0.3480 -0.3365 0.3400 0.4087 0.6034 0.8239 0.8683 1.0924 1.3034 1.4497 1.5420 1.8914 5.1109 5.1319 5.2593 5.2759 5.3341 5.3541 6.4904 6.5527 k = 0.6809-0.1800 0.1766 ( 6382 PWs) bands (ev): -17.1470 -17.1470 -13.1744 -13.1743 -12.5768 -12.5762 -10.3639 -10.3636 -10.0035 -10.0035 -8.4709 -8.4707 -8.3767 -8.3761 -6.1736 -6.1720 -5.1424 -5.1402 -3.8329 -3.8309 -3.3588 -3.3534 -3.1813 -3.1728 -2.2401 -2.2385 -1.6003 -1.5473 -0.5217 -0.4912 -0.3143 -0.2978 0.3500 0.4152 0.6122 0.8376 0.8782 1.0940 1.3142 1.4554 1.5413 1.8878 5.1077 5.1262 5.2549 5.2700 5.3325 5.3549 6.4903 6.5531 k = 0.6702-0.1610 0.1580 ( 6370 PWs) bands (ev): -17.1487 -17.1487 -13.1723 -13.1723 -12.5816 -12.5809 -10.3663 -10.3660 -10.0009 -10.0009 -8.4682 -8.4680 -8.3804 -8.3799 -6.1701 -6.1686 -5.1418 -5.1396 -3.8311 -3.8290 -3.3577 -3.3525 -3.1579 -3.1498 -2.2392 -2.2376 -1.6021 -1.5519 -0.5462 -0.5179 -0.2806 -0.2603 0.3594 0.4210 0.6218 0.8509 0.8885 1.0950 1.3247 1.4601 1.5403 1.8825 5.1050 5.1212 5.2506 5.2650 5.3329 5.3566 6.4900 6.5531 k = 0.6596-0.1421 0.1393 ( 6374 PWs) bands (ev): -17.1503 -17.1503 -13.1704 -13.1703 -12.5861 -12.5855 -10.3685 -10.3683 -9.9984 -9.9984 -8.4656 -8.4653 -8.3840 -8.3834 -6.1667 -6.1652 -5.1411 -5.1391 -3.8293 -3.8272 -3.3566 -3.3518 -3.1357 -3.1279 -2.2382 -2.2368 -1.6035 -1.5563 -0.5698 -0.5433 -0.2476 -0.2243 0.3683 0.4262 0.6324 0.8638 0.8991 1.0956 1.3348 1.4639 1.5394 1.8756 5.1028 5.1169 5.2468 5.2610 5.3350 5.3591 6.4897 6.5528 k = 0.6489-0.1231 0.1207 ( 6366 PWs) bands (ev): -17.1519 -17.1519 -13.1685 -13.1684 -12.5905 -12.5900 -10.3707 -10.3705 -9.9960 -9.9960 -8.4630 -8.4628 -8.3874 -8.3868 -6.1634 -6.1619 -5.1404 -5.1385 -3.8276 -3.8255 -3.3555 -3.3510 -3.1145 -3.1071 -2.2372 -2.2359 -1.6046 -1.5603 -0.5921 -0.5674 -0.2156 -0.1899 0.3764 0.4308 0.6439 0.8759 0.9100 1.0959 1.3440 1.4667 1.5389 1.8672 5.1010 5.1133 5.2434 5.2579 5.3388 5.3622 6.4893 6.5521 k = 0.6383-0.1041 0.1021 ( 6360 PWs) bands (ev): -17.1534 -17.1533 -13.1666 -13.1666 -12.5947 -12.5941 -10.3728 -10.3725 -9.9937 -9.9937 -8.4605 -8.4603 -8.3905 -8.3900 -6.1601 -6.1588 -5.1398 -5.1380 -3.8259 -3.8238 -3.3545 -3.3503 -3.0945 -3.0876 -2.2362 -2.2350 -1.6055 -1.5641 -0.6131 -0.5901 -0.1848 -0.1574 0.3839 0.4347 0.6562 0.8868 0.9211 1.0959 1.3522 1.4684 1.5392 1.8575 5.0997 5.1102 5.2404 5.2556 5.3443 5.3662 6.4889 6.5511 k = 0.6277-0.0851 0.0835 ( 6362 PWs) bands (ev): -17.1548 -17.1548 -13.1649 -13.1649 -12.5986 -12.5981 -10.3747 -10.3745 -9.9916 -9.9916 -8.4582 -8.4580 -8.3934 -8.3930 -6.1570 -6.1558 -5.1391 -5.1375 -3.8243 -3.8223 -3.3536 -3.3497 -3.0758 -3.0693 -2.2352 -2.2342 -1.6061 -1.5677 -0.6326 -0.6113 -0.1554 -0.1268 0.3908 0.4380 0.6694 0.8963 0.9324 1.0958 1.3591 1.4691 1.5408 1.8465 5.0988 5.1077 5.2376 5.2538 5.3515 5.3713 6.4884 6.5495 k = 0.6170-0.0661 0.0648 ( 6374 PWs) bands (ev): -17.1561 -17.1561 -13.1633 -13.1633 -12.6023 -12.6018 -10.3765 -10.3763 -9.9896 -9.9896 -8.4560 -8.4558 -8.3961 -8.3957 -6.1540 -6.1529 -5.1385 -5.1370 -3.8228 -3.8209 -3.3527 -3.3491 -3.0585 -3.0524 -2.2343 -2.2333 -1.6065 -1.5711 -0.6506 -0.6310 -0.1275 -0.0984 0.3970 0.4407 0.6832 0.9041 0.9438 1.0957 1.3646 1.4687 1.5441 1.8345 5.0982 5.1057 5.2352 5.2522 5.3601 5.3774 6.4879 6.5476 k = 0.6064-0.0471 0.0462 ( 6378 PWs) bands (ev): -17.1573 -17.1573 -13.1618 -13.1618 -12.6057 -12.6053 -10.3782 -10.3780 -9.9878 -9.9878 -8.4539 -8.4538 -8.3986 -8.3982 -6.1512 -6.1502 -5.1379 -5.1365 -3.8214 -3.8196 -3.3519 -3.3486 -3.0425 -3.0369 -2.2334 -2.2325 -1.6066 -1.5742 -0.6670 -0.6490 -0.1012 -0.0722 0.4027 0.4429 0.6977 0.9098 0.9553 1.0956 1.3688 1.4673 1.5491 1.8216 5.0979 5.1041 5.2329 5.2506 5.3700 5.3847 6.4874 6.5451 k = 0.5957-0.0281 0.0276 ( 6378 PWs) bands (ev): -17.1585 -17.1584 -13.1604 -13.1604 -12.6088 -12.6084 -10.3797 -10.3796 -9.9861 -9.9861 -8.4520 -8.4519 -8.4008 -8.4005 -6.1486 -6.1476 -5.1374 -5.1361 -3.8200 -3.8183 -3.3511 -3.3481 -3.0279 -3.0228 -2.2325 -2.2317 -1.6064 -1.5772 -0.6818 -0.6655 -0.0768 -0.0484 0.4078 0.4444 0.7127 0.9133 0.9669 1.0954 1.3719 1.4648 1.5560 1.8078 5.0978 5.1029 5.2309 5.2489 5.3809 5.3930 6.4870 6.5420 k = 0.5851-0.0091 0.0090 ( 6380 PWs) bands (ev): -17.1595 -17.1595 -13.1592 -13.1591 -12.6117 -12.6113 -10.3811 -10.3810 -9.9846 -9.9846 -8.4503 -8.4501 -8.4029 -8.4025 -6.1462 -6.1453 -5.1369 -5.1357 -3.8188 -3.8173 -3.3504 -3.3477 -3.0148 -3.0102 -2.2316 -2.2310 -1.6061 -1.5800 -0.6949 -0.6804 -0.0542 -0.0271 0.4124 0.4455 0.7281 0.9145 0.9784 1.0950 1.3743 1.4614 1.5645 1.7935 5.0980 5.1021 5.2291 5.2468 5.3926 5.4022 6.4868 6.5385 k = 0.5745 0.0099-0.0097 ( 6370 PWs) bands (ev): -17.1604 -17.1604 -13.1581 -13.1580 -12.6142 -12.6139 -10.3824 -10.3822 -9.9832 -9.9832 -8.4487 -8.4486 -8.4046 -8.4043 -6.1440 -6.1432 -5.1364 -5.1354 -3.8177 -3.8163 -3.3497 -3.3474 -3.0031 -2.9991 -2.2309 -2.2303 -1.6055 -1.5826 -0.7064 -0.6936 -0.0337 -0.0084 0.4167 0.4460 0.7439 0.9132 0.9899 1.0942 1.3765 1.4570 1.5746 1.7786 5.0983 5.1016 5.2275 5.2445 5.4044 5.4118 6.4868 6.5344 k = 0.5638 0.0288-0.0283 ( 6366 PWs) bands (ev): -17.1612 -17.1612 -13.1571 -13.1570 -12.6164 -12.6161 -10.3835 -10.3833 -9.9820 -9.9820 -8.4473 -8.4472 -8.4061 -8.4059 -6.1421 -6.1414 -5.1359 -5.1351 -3.8167 -3.8154 -3.3491 -3.3471 -2.9929 -2.9895 -2.2301 -2.2297 -1.6048 -1.5851 -0.7162 -0.7052 -0.0152 0.0076 0.4206 0.4461 0.7598 0.9097 1.0012 1.0928 1.3789 1.4517 1.5859 1.7633 5.0988 5.1014 5.2263 5.2420 5.4160 5.4215 6.4871 6.5300 k = 0.5532 0.0478-0.0469 ( 6356 PWs) bands (ev): -17.1619 -17.1619 -13.1562 -13.1562 -12.6183 -12.6180 -10.3844 -10.3843 -9.9810 -9.9810 -8.4461 -8.4460 -8.4074 -8.4072 -6.1404 -6.1398 -5.1356 -5.1348 -3.8158 -3.8148 -3.3486 -3.3469 -2.9843 -2.9814 -2.2295 -2.2291 -1.6039 -1.5874 -0.7244 -0.7151 0.0009 0.0209 0.4241 0.4457 0.7758 0.9041 1.0124 1.0905 1.3819 1.4457 1.5982 1.7478 5.0993 5.1013 5.2254 5.2393 5.4269 5.4308 6.4879 6.5251 k = 0.5426 0.0668-0.0655 ( 6366 PWs) bands (ev): -17.1625 -17.1624 -13.1555 -13.1555 -12.6198 -12.6196 -10.3852 -10.3851 -9.9802 -9.9802 -8.4452 -8.4451 -8.4085 -8.4083 -6.1390 -6.1386 -5.1352 -5.1346 -3.8151 -3.8142 -3.3481 -3.3467 -2.9771 -2.9748 -2.2290 -2.2287 -1.6028 -1.5896 -0.7309 -0.7235 0.0148 0.0313 0.4275 0.4449 0.7917 0.8966 1.0233 1.0871 1.3857 1.4390 1.6114 1.7321 5.0999 5.1014 5.2248 5.2366 5.4366 5.4393 6.4892 6.5201 k = 0.5319 0.0858-0.0842 ( 6362 PWs) bands (ev): -17.1629 -17.1629 -13.1550 -13.1550 -12.6210 -12.6209 -10.3857 -10.3857 -9.9796 -9.9796 -8.4444 -8.4443 -8.4093 -8.4091 -6.1379 -6.1376 -5.1350 -5.1345 -3.8145 -3.8138 -3.3477 -3.3467 -2.9715 -2.9698 -2.2286 -2.2284 -1.6016 -1.5916 -0.7357 -0.7301 0.0262 0.0390 0.4305 0.4438 0.8074 0.8873 1.0338 1.0826 1.3904 1.4319 1.6252 1.7163 5.1004 5.1015 5.2248 5.2339 5.4447 5.4464 6.4911 6.5149 k = 0.5213 0.1048-0.1028 ( 6366 PWs) bands (ev): -17.1632 -17.1632 -13.1546 -13.1546 -12.6219 -12.6218 -10.3862 -10.3861 -9.9791 -9.9791 -8.4438 -8.4438 -8.4098 -8.4097 -6.1371 -6.1369 -5.1347 -5.1344 -3.8140 -3.8136 -3.3473 -3.3467 -2.9674 -2.9662 -2.2283 -2.2281 -1.6002 -1.5936 -0.7389 -0.7352 0.0351 0.0438 0.4334 0.4423 0.8227 0.8765 1.0439 1.0769 1.3961 1.4245 1.6396 1.7006 5.1009 5.1015 5.2252 5.2314 5.4508 5.4518 6.4936 6.5099 k = 0.5106 0.1238-0.1214 ( 6378 PWs) bands (ev): -17.1634 -17.1634 -13.1543 -13.1543 -12.6224 -12.6223 -10.3864 -10.3864 -9.9789 -9.9789 -8.4435 -8.4435 -8.4102 -8.4101 -6.1366 -6.1365 -5.1346 -5.1344 -3.8137 -3.8135 -3.3471 -3.3467 -2.9648 -2.9642 -2.2281 -2.2280 -1.5987 -1.5954 -0.7404 -0.7386 0.0413 0.0457 0.4360 0.4404 0.8374 0.8645 1.0534 1.0700 1.4025 1.4169 1.6544 1.6850 5.1012 5.1015 5.2261 5.2293 5.4546 5.4551 6.4968 6.5050 k = 0.5000 0.1428-0.1400 ( 6386 PWs) bands (ev): -17.1635 -17.1635 -13.1543 -13.1543 -12.6225 -12.6225 -10.3865 -10.3865 -9.9788 -9.9788 -8.4434 -8.4434 -8.4103 -8.4103 -6.1364 -6.1364 -5.1345 -5.1345 -3.8135 -3.8135 -3.3469 -3.3469 -2.9638 -2.9638 -2.2280 -2.2280 -1.5971 -1.5971 -0.7403 -0.7403 0.0449 0.0449 0.4383 0.4383 0.8514 0.8514 1.0621 1.0621 1.4095 1.4095 1.6696 1.6696 5.1014 5.1014 5.2275 5.2275 5.4561 5.4561 6.5007 6.5007 k = 0.5000 0.1428-0.1400 ( 6386 PWs) bands (ev): -17.1635 -17.1635 -13.1543 -13.1543 -12.6225 -12.6225 -10.3865 -10.3865 -9.9788 -9.9788 -8.4434 -8.4434 -8.4103 -8.4103 -6.1364 -6.1364 -5.1345 -5.1345 -3.8135 -3.8135 -3.3469 -3.3469 -2.9638 -2.9638 -2.2280 -2.2280 -1.5971 -1.5971 -0.7403 -0.7403 0.0449 0.0449 0.4383 0.4383 0.8514 0.8514 1.0621 1.0621 1.4095 1.4095 1.6696 1.6696 5.1014 5.1014 5.2275 5.2275 5.4561 5.4561 6.5007 6.5007 k = 0.4737 0.1353-0.1327 ( 6378 PWs) bands (ev): -17.1635 -17.1635 -13.1543 -13.1543 -12.6224 -12.6223 -10.3884 -10.3882 -9.9777 -9.9776 -8.4455 -8.4439 -8.4086 -8.4072 -6.1362 -6.1362 -5.1346 -5.1343 -3.8173 -3.8137 -3.3476 -3.3468 -2.9638 -2.9637 -2.2320 -2.2293 -1.5999 -1.5846 -0.7404 -0.7400 0.0435 0.0451 0.4274 0.4508 0.8501 0.8524 1.0584 1.0653 1.4052 1.4134 1.6677 1.6724 5.1017 5.1017 5.2252 5.2330 5.4554 5.4558 6.4958 6.4997 k = 0.4474 0.1277-0.1253 ( 6376 PWs) bands (ev): -17.1635 -17.1635 -13.1543 -13.1543 -12.6217 -12.6216 -10.3937 -10.3934 -9.9745 -9.9744 -8.4490 -8.4466 -8.4026 -8.4004 -6.1357 -6.1357 -5.1347 -5.1342 -3.8249 -3.8180 -3.3488 -3.3473 -2.9638 -2.9637 -2.2409 -2.2359 -1.5930 -1.5630 -0.7404 -0.7394 0.0409 0.0442 0.4182 0.4646 0.8485 0.8531 1.0540 1.0679 1.4004 1.4167 1.6668 1.6760 5.1025 5.1026 5.2262 5.2417 5.4537 5.4547 6.4851 6.4931 k = 0.4211 0.1202-0.1179 ( 6380 PWs) bands (ev): -17.1635 -17.1635 -13.1543 -13.1543 -12.6207 -12.6206 -10.4021 -10.4017 -9.9695 -9.9693 -8.4529 -8.4501 -8.3937 -8.3913 -6.1349 -6.1349 -5.1349 -5.1341 -3.8363 -3.8263 -3.3507 -3.3485 -2.9637 -2.9636 -2.2535 -2.2472 -1.5771 -1.5339 -0.7400 -0.7386 0.0371 0.0423 0.4109 0.4793 0.8467 0.8535 1.0492 1.0698 1.3955 1.4192 1.6670 1.6802 5.1037 5.1039 5.2306 5.2533 5.4512 5.4528 6.4688 6.4810 k = 0.3947 0.1127-0.1106 ( 6392 PWs) bands (ev): -17.1635 -17.1635 -13.1544 -13.1544 -12.6193 -12.6191 -10.4133 -10.4127 -9.9629 -9.9628 -8.4566 -8.4536 -8.3830 -8.3805 -6.1339 -6.1339 -5.1350 -5.1340 -3.8509 -3.8382 -3.3530 -3.3504 -2.9636 -2.9635 -2.2687 -2.2618 -1.5535 -1.4987 -0.7395 -0.7377 0.0323 0.0394 0.4055 0.4947 0.8449 0.8538 1.0438 1.0711 1.3904 1.4208 1.6683 1.6850 5.1055 5.1058 5.2380 5.2676 5.4479 5.4506 6.4470 6.4637 k = 0.3684 0.1052-0.1032 ( 6392 PWs) bands (ev): -17.1635 -17.1635 -13.1544 -13.1544 -12.6176 -12.6174 -10.4266 -10.4259 -9.9554 -9.9551 -8.4597 -8.4568 -8.3708 -8.3684 -6.1326 -6.1325 -5.1351 -5.1340 -3.8683 -3.8534 -3.3559 -3.3528 -2.9635 -2.9634 -2.2853 -2.2786 -1.5239 -1.4592 -0.7388 -0.7365 0.0266 0.0359 0.4018 0.5102 0.8431 0.8539 1.0379 1.0717 1.3855 1.4215 1.6708 1.6903 5.1078 5.1081 5.2483 5.2839 5.4442 5.4486 6.4202 6.4416 k = 0.3421 0.0977-0.0958 ( 6387 PWs) bands (ev): -17.1636 -17.1636 -13.1545 -13.1545 -12.6155 -12.6153 -10.4414 -10.4407 -9.9471 -9.9468 -8.4624 -8.4595 -8.3575 -8.3553 -6.1311 -6.1310 -5.1352 -5.1339 -3.8881 -3.8714 -3.3591 -3.3558 -2.9634 -2.9633 -2.3025 -2.2965 -1.4897 -1.4169 -0.7379 -0.7353 0.0204 0.0317 0.4000 0.5252 0.8416 0.8540 1.0315 1.0716 1.3808 1.4212 1.6743 1.6958 5.1106 5.1109 5.2612 5.3012 5.4404 5.4478 6.3888 6.4152 k = 0.3158 0.0902-0.0884 ( 6387 PWs) bands (ev): -17.1636 -17.1636 -13.1545 -13.1545 -12.6132 -12.6129 -10.4573 -10.4565 -9.9385 -9.9383 -8.4646 -8.4619 -8.3434 -8.3414 -6.1294 -6.1293 -5.1353 -5.1338 -3.9096 -3.8918 -3.3627 -3.3593 -2.9633 -2.9631 -2.3194 -2.3144 -1.4524 -1.3733 -0.7368 -0.7339 0.0137 0.0271 0.3998 0.5391 0.8409 0.8541 1.0247 1.0707 1.3764 1.4200 1.6787 1.7014 5.1137 5.1141 5.2760 5.3180 5.4372 5.4496 6.3532 6.3849 k = 0.2895 0.0827-0.0811 ( 6395 PWs) bands (ev): -17.1636 -17.1636 -13.1546 -13.1546 -12.6107 -12.6104 -10.4737 -10.4729 -9.9300 -9.9297 -8.4663 -8.4638 -8.3288 -8.3270 -6.1275 -6.1275 -5.1354 -5.1338 -3.9324 -3.9139 -3.3666 -3.3632 -2.9631 -2.9630 -2.3356 -2.3317 -1.4132 -1.3296 -0.7356 -0.7324 0.0070 0.0222 0.4012 0.5513 0.8412 0.8544 1.0176 1.0690 1.3724 1.4179 1.6839 1.7071 5.1173 5.1176 5.2917 5.3320 5.4356 5.4564 6.3140 6.3513 k = 0.2632 0.0751-0.0737 ( 6399 PWs) bands (ev): -17.1637 -17.1637 -13.1547 -13.1547 -12.6081 -12.6078 -10.4902 -10.4893 -9.9217 -9.9214 -8.4677 -8.4654 -8.3140 -8.3124 -6.1257 -6.1256 -5.1355 -5.1338 -3.9556 -3.9371 -3.3707 -3.3673 -2.9630 -2.9628 -2.3507 -2.3479 -1.3732 -1.2870 -0.7343 -0.7309 0.0004 0.0171 0.4040 0.5611 0.8429 0.8550 1.0102 1.0665 1.3689 1.4151 1.6897 1.7126 5.1211 5.1215 5.3066 5.3411 5.4374 5.4702 6.2718 6.3148 k = 0.2368 0.0676-0.0663 ( 6399 PWs) bands (ev): -17.1637 -17.1637 -13.1547 -13.1547 -12.6054 -12.6051 -10.5063 -10.5054 -9.9139 -9.9136 -8.4688 -8.4667 -8.2993 -8.2979 -6.1237 -6.1237 -5.1355 -5.1338 -3.9788 -3.9607 -3.3748 -3.3717 -2.9628 -2.9627 -2.3645 -2.3627 -1.3333 -1.2465 -0.7329 -0.7294 -0.0058 0.0120 0.4082 0.5679 0.8464 0.8560 1.0027 1.0631 1.3660 1.4115 1.6960 1.7180 5.1252 5.1256 5.3187 5.3445 5.4446 5.4917 6.2271 6.2760 k = 0.2105 0.0601-0.0590 ( 6387 PWs) bands (ev): -17.1637 -17.1637 -13.1548 -13.1548 -12.6027 -12.6025 -10.5216 -10.5208 -9.9067 -9.9064 -8.4696 -8.4677 -8.2850 -8.2838 -6.1218 -6.1218 -5.1354 -5.1337 -4.0012 -3.9840 -3.3789 -3.3760 -2.9627 -2.9625 -2.3769 -2.3759 -1.2942 -1.2091 -0.7314 -0.7280 -0.0112 0.0070 0.4137 0.5712 0.8518 0.8575 0.9952 1.0588 1.3638 1.4075 1.7023 1.7230 5.1296 5.1299 5.3260 5.3435 5.4590 5.5195 6.1806 6.2354 k = 0.1842 0.0526-0.0516 ( 6391 PWs) bands (ev): -17.1638 -17.1638 -13.1549 -13.1549 -12.6002 -12.5999 -10.5359 -10.5351 -9.9002 -9.8999 -8.4702 -8.4685 -8.2714 -8.2704 -6.1201 -6.1200 -5.1354 -5.1337 -4.0225 -4.0065 -3.3829 -3.3803 -2.9625 -2.9624 -2.3878 -2.3874 -1.2568 -1.1755 -0.7300 -0.7267 -0.0159 0.0022 0.4205 0.5709 0.8588 0.8595 0.9881 1.0535 1.3622 1.4030 1.7087 1.7276 5.1339 5.1342 5.3286 5.3397 5.4810 5.5518 6.1329 6.1933 k = 0.1579 0.0451-0.0442 ( 6395 PWs) bands (ev): -17.1638 -17.1638 -13.1549 -13.1549 -12.5978 -12.5976 -10.5488 -10.5482 -9.8945 -9.8942 -8.4706 -8.4691 -8.2588 -8.2580 -6.1184 -6.1183 -5.1353 -5.1338 -4.0419 -4.0275 -3.3866 -3.3843 -2.9624 -2.9622 -2.3973 -2.3973 -1.2217 -1.1464 -0.7286 -0.7255 -0.0197 -0.0024 0.4286 0.5671 0.8621 0.8671 0.9817 1.0472 1.3613 1.3983 1.7149 1.7316 5.1383 5.1385 5.3275 5.3345 5.5091 5.5871 6.0848 6.1502 k = 0.1316 0.0376-0.0369 ( 6407 PWs) bands (ev): -17.1638 -17.1638 -13.1550 -13.1550 -12.5956 -12.5954 -10.5602 -10.5596 -9.8896 -9.8893 -8.4708 -8.4697 -8.2476 -8.2469 -6.1169 -6.1169 -5.1352 -5.1338 -4.0590 -4.0466 -3.3899 -3.3880 -2.9622 -2.9621 -2.4055 -2.4052 -1.1895 -1.1225 -0.7272 -0.7244 -0.0224 -0.0067 0.4379 0.5603 0.8654 0.8756 0.9766 1.0400 1.3612 1.3934 1.7207 1.7349 5.1424 5.1426 5.3244 5.3288 5.5417 5.6240 6.0369 6.1066 k = 0.1053 0.0301-0.0295 ( 6405 PWs) bands (ev): -17.1639 -17.1639 -13.1550 -13.1550 -12.5938 -12.5936 -10.5697 -10.5692 -9.8856 -9.8854 -8.4710 -8.4700 -8.2380 -8.2375 -6.1157 -6.1156 -5.1350 -5.1339 -4.0733 -4.0631 -3.3927 -3.3912 -2.9621 -2.9620 -2.4121 -2.4117 -1.1607 -1.1041 -0.7260 -0.7236 -0.0241 -0.0107 0.4483 0.5509 0.8691 0.8831 0.9738 1.0318 1.3618 1.3885 1.7259 1.7375 5.1462 5.1464 5.3206 5.3233 5.5776 5.6612 5.9907 6.0630 k = 0.0789 0.0225-0.0221 ( 6397 PWs) bands (ev): -17.1639 -17.1639 -13.1551 -13.1551 -12.5922 -12.5921 -10.5773 -10.5769 -9.8824 -9.8822 -8.4711 -8.4703 -8.2302 -8.2299 -6.1147 -6.1146 -5.1348 -5.1339 -4.0845 -4.0767 -3.3950 -3.3938 -2.9620 -2.9619 -2.4171 -2.4167 -1.1358 -1.0915 -0.7249 -0.7230 -0.0249 -0.0143 0.4599 0.5395 0.8734 0.8883 0.9740 1.0228 1.3631 1.3837 1.7304 1.7392 5.1495 5.1496 5.3168 5.3185 5.6154 5.6962 5.9482 6.0198 k = 0.0526 0.0150-0.0147 ( 6397 PWs) bands (ev): -17.1639 -17.1639 -13.1551 -13.1551 -12.5911 -12.5910 -10.5828 -10.5825 -9.8801 -9.8800 -8.4711 -8.4706 -8.2245 -8.2243 -6.1139 -6.1139 -5.1347 -5.1340 -4.0924 -4.0871 -3.3966 -3.3958 -2.9619 -2.9619 -2.4206 -2.4203 -1.1153 -1.0849 -0.7240 -0.7226 -0.0248 -0.0174 0.4724 0.5268 0.8780 0.8904 0.9777 1.0132 1.3652 1.3791 1.7342 1.7401 5.1520 5.1521 5.3137 5.3147 5.6540 5.7242 5.9143 5.9782 k = 0.0263 0.0075-0.0074 ( 6383 PWs) bands (ev): -17.1639 -17.1639 -13.1551 -13.1551 -12.5904 -12.5904 -10.5861 -10.5860 -9.8788 -9.8787 -8.4710 -8.4708 -8.2210 -8.2209 -6.1134 -6.1134 -5.1345 -5.1342 -4.0966 -4.0939 -3.3975 -3.3971 -2.9619 -2.9619 -2.4227 -2.4225 -1.0996 -1.0841 -0.7232 -0.7226 -0.0239 -0.0201 0.4857 0.5133 0.8825 0.8895 0.9846 1.0032 1.3678 1.3749 1.7371 1.7400 5.1536 5.1536 5.3117 5.3122 5.6909 5.7351 5.8993 5.9402 k = 0.0000 0.0000 0.0000 ( 6367 PWs) bands (ev): -17.1639 -17.1639 -13.1551 -13.1551 -12.5901 -12.5901 -10.5872 -10.5872 -9.8783 -9.8783 -8.4709 -8.4709 -8.2198 -8.2198 -6.1132 -6.1132 -5.1343 -5.1343 -4.0971 -4.0971 -3.3977 -3.3977 -2.9618 -2.9618 -2.4233 -2.4233 -1.0891 -1.0891 -0.7228 -0.7228 -0.0223 -0.0223 0.4994 0.4994 0.8866 0.8866 0.9934 0.9934 1.3711 1.3711 1.7390 1.7390 5.1542 5.1542 5.3112 5.3112 5.7214 5.7214 5.9105 5.9105 k = 0.0000 0.0000 0.0000 ( 6367 PWs) bands (ev): -17.1639 -17.1639 -13.1551 -13.1551 -12.5901 -12.5901 -10.5872 -10.5872 -9.8783 -9.8783 -8.4709 -8.4709 -8.2198 -8.2198 -6.1132 -6.1132 -5.1343 -5.1343 -4.0971 -4.0971 -3.3977 -3.3977 -2.9618 -2.9618 -2.4233 -2.4233 -1.0891 -1.0891 -0.7228 -0.7228 -0.0223 -0.0223 0.4994 0.4994 0.8866 0.8866 0.9934 0.9934 1.3711 1.3711 1.7390 1.7390 5.1542 5.1542 5.3112 5.3112 5.7214 5.7214 5.9105 5.9105 k = 0.0000 0.0203 0.0207 ( 6371 PWs) bands (ev): -17.1638 -17.1638 -13.1553 -13.1553 -12.5899 -12.5899 -10.5870 -10.5870 -9.8788 -9.8788 -8.4703 -8.4703 -8.2196 -8.2196 -6.1134 -6.1134 -5.1340 -5.1340 -4.0965 -4.0965 -3.3981 -3.3981 -2.9628 -2.9628 -2.4253 -2.4253 -1.0891 -1.0891 -0.7218 -0.7218 -0.0241 -0.0241 0.5001 0.5001 0.8868 0.8868 0.9936 0.9936 1.3713 1.3713 1.7384 1.7384 5.1552 5.1552 5.3115 5.3115 5.7207 5.7207 5.9111 5.9111 k = 0.0000 0.0406 0.0414 ( 6407 PWs) bands (ev): -17.1636 -17.1636 -13.1561 -13.1561 -12.5894 -12.5894 -10.5863 -10.5863 -9.8805 -9.8805 -8.4687 -8.4687 -8.2189 -8.2189 -6.1138 -6.1138 -5.1331 -5.1331 -4.0948 -4.0948 -3.3993 -3.3993 -2.9658 -2.9658 -2.4315 -2.4315 -1.0891 -1.0891 -0.7190 -0.7190 -0.0294 -0.0294 0.5022 0.5022 0.8873 0.8873 0.9941 0.9942 1.3718 1.3718 1.7366 1.7366 5.1584 5.1584 5.3125 5.3125 5.7188 5.7188 5.9129 5.9129 k = 0.0000 0.0609 0.0621 ( 6407 PWs) bands (ev): -17.1632 -17.1632 -13.1573 -13.1573 -12.5884 -12.5884 -10.5853 -10.5853 -9.8832 -9.8832 -8.4659 -8.4659 -8.2179 -8.2179 -6.1145 -6.1145 -5.1316 -5.1316 -4.0919 -4.0919 -3.4012 -3.4012 -2.9708 -2.9708 -2.4415 -2.4415 -1.0891 -1.0891 -0.7143 -0.7143 -0.0381 -0.0381 0.5057 0.5057 0.8881 0.8881 0.9950 0.9950 1.3726 1.3726 1.7337 1.7337 5.1636 5.1636 5.3142 5.3142 5.7156 5.7156 5.9160 5.9160 k = 0.0000 0.0812 0.0828 ( 6399 PWs) bands (ev): -17.1626 -17.1626 -13.1590 -13.1590 -12.5870 -12.5870 -10.5837 -10.5837 -9.8870 -9.8870 -8.4621 -8.4621 -8.2164 -8.2164 -6.1154 -6.1154 -5.1296 -5.1296 -4.0879 -4.0879 -3.4038 -3.4038 -2.9777 -2.9777 -2.4552 -2.4552 -1.0892 -1.0892 -0.7077 -0.7077 -0.0502 -0.0502 0.5104 0.5104 0.8891 0.8892 0.9961 0.9962 1.3737 1.3737 1.7295 1.7295 5.1709 5.1709 5.3166 5.3166 5.7114 5.7114 5.9203 5.9203 k = 0.0000 0.1016 0.1035 ( 6395 PWs) bands (ev): -17.1619 -17.1619 -13.1611 -13.1611 -12.5853 -12.5853 -10.5818 -10.5818 -9.8917 -9.8917 -8.4573 -8.4573 -8.2145 -8.2145 -6.1165 -6.1165 -5.1270 -5.1270 -4.0828 -4.0828 -3.4072 -3.4072 -2.9864 -2.9864 -2.4724 -2.4724 -1.0893 -1.0893 -0.6993 -0.6993 -0.0655 -0.0655 0.5161 0.5161 0.8905 0.8905 0.9975 0.9975 1.3751 1.3751 1.7242 1.7242 5.1802 5.1802 5.3196 5.3196 5.7063 5.7063 5.9259 5.9259 k = 0.0000 0.1219 0.1243 ( 6383 PWs) bands (ev): -17.1610 -17.1610 -13.1636 -13.1636 -12.5832 -12.5832 -10.5795 -10.5795 -9.8974 -9.8974 -8.4516 -8.4516 -8.2123 -8.2123 -6.1178 -6.1178 -5.1240 -5.1240 -4.0768 -4.0768 -3.4111 -3.4111 -2.9970 -2.9970 -2.4927 -2.4927 -1.0896 -1.0896 -0.6892 -0.6892 -0.0838 -0.0838 0.5226 0.5226 0.8919 0.8920 0.9988 0.9989 1.3768 1.3768 1.7177 1.7177 5.1912 5.1912 5.3233 5.3233 5.7005 5.7005 5.9326 5.9326 k = 0.0000 0.1422 0.1450 ( 6383 PWs) bands (ev): -17.1600 -17.1600 -13.1665 -13.1665 -12.5808 -12.5808 -10.5767 -10.5767 -9.9039 -9.9039 -8.4451 -8.4451 -8.2099 -8.2099 -6.1192 -6.1192 -5.1204 -5.1204 -4.0699 -4.0699 -3.4156 -3.4156 -3.0093 -3.0093 -2.5156 -2.5156 -1.0901 -1.0901 -0.6773 -0.6773 -0.1049 -0.1049 0.5297 0.5297 0.8935 0.8936 1.0002 1.0003 1.3787 1.3787 1.7100 1.7100 5.2040 5.2040 5.3277 5.3277 5.6942 5.6942 5.9405 5.9405 k = 0.0000 0.1625 0.1657 ( 6389 PWs) bands (ev): -17.1589 -17.1589 -13.1697 -13.1697 -12.5780 -12.5780 -10.5735 -10.5735 -9.9112 -9.9112 -8.4380 -8.4380 -8.2072 -8.2072 -6.1208 -6.1208 -5.1166 -5.1166 -4.0622 -4.0622 -3.4206 -3.4206 -3.0232 -3.0232 -2.5408 -2.5408 -1.0907 -1.0907 -0.6638 -0.6638 -0.1285 -0.1285 0.5369 0.5370 0.8952 0.8953 1.0016 1.0017 1.3809 1.3809 1.7012 1.7012 5.2184 5.2184 5.3328 5.3328 5.6877 5.6877 5.9495 5.9495 k = 0.0000 0.1828 0.1864 ( 6373 PWs) bands (ev): -17.1576 -17.1576 -13.1733 -13.1733 -12.5749 -12.5749 -10.5698 -10.5698 -9.9193 -9.9193 -8.4302 -8.4302 -8.2043 -8.2043 -6.1225 -6.1225 -5.1123 -5.1123 -4.0538 -4.0538 -3.4260 -3.4260 -3.0386 -3.0386 -2.5677 -2.5677 -1.0917 -1.0917 -0.6487 -0.6487 -0.1544 -0.1544 0.5441 0.5442 0.8968 0.8969 1.0029 1.0030 1.3832 1.3832 1.6913 1.6913 5.2342 5.2342 5.3385 5.3385 5.6812 5.6812 5.9595 5.9595 k = 0.0000 0.2031 0.2071 ( 6369 PWs) bands (ev): -17.1563 -17.1563 -13.1771 -13.1771 -12.5716 -12.5716 -10.5658 -10.5658 -9.9279 -9.9279 -8.4221 -8.4221 -8.2013 -8.2013 -6.1242 -6.1242 -5.1078 -5.1078 -4.0449 -4.0449 -3.4317 -3.4317 -3.0556 -3.0556 -2.5958 -2.5958 -1.0930 -1.0929 -0.6320 -0.6320 -0.1824 -0.1824 0.5508 0.5509 0.8983 0.8984 1.0042 1.0043 1.3856 1.3856 1.6804 1.6804 5.2512 5.2512 5.3449 5.3449 5.6748 5.6748 5.9703 5.9703 k = 0.0000 0.2234 0.2278 ( 6385 PWs) bands (ev): -17.1548 -17.1548 -13.1811 -13.1811 -12.5680 -12.5680 -10.5613 -10.5613 -9.9370 -9.9370 -8.4136 -8.4136 -8.1983 -8.1983 -6.1260 -6.1260 -5.1032 -5.1032 -4.0356 -4.0356 -3.4376 -3.4376 -3.0738 -3.0738 -2.6246 -2.6246 -1.0946 -1.0946 -0.6139 -0.6139 -0.2123 -0.2123 0.5567 0.5567 0.8995 0.8996 1.0057 1.0058 1.3883 1.3883 1.6685 1.6685 5.2693 5.2693 5.3520 5.3520 5.6687 5.6687 5.9818 5.9818 k = 0.0000 0.2437 0.2485 ( 6383 PWs) bands (ev): -17.1532 -17.1532 -13.1853 -13.1853 -12.5641 -12.5641 -10.5564 -10.5564 -9.9465 -9.9465 -8.4050 -8.4050 -8.1953 -8.1953 -6.1278 -6.1278 -5.0984 -5.0984 -4.0260 -4.0260 -3.4436 -3.4436 -3.0932 -3.0932 -2.6536 -2.6535 -1.0968 -1.0968 -0.5944 -0.5944 -0.2437 -0.2437 0.5612 0.5613 0.9002 0.9004 1.0074 1.0075 1.3910 1.3910 1.6556 1.6556 5.2882 5.2882 5.3599 5.3599 5.6630 5.6630 5.9939 5.9939 k = 0.0000 0.2640 0.2692 ( 6395 PWs) bands (ev): -17.1515 -17.1515 -13.1897 -13.1897 -12.5601 -12.5601 -10.5512 -10.5512 -9.9564 -9.9564 -8.3964 -8.3964 -8.1923 -8.1923 -6.1296 -6.1296 -5.0935 -5.0935 -4.0162 -4.0162 -3.4496 -3.4496 -3.1138 -3.1138 -2.6821 -2.6821 -1.0994 -1.0994 -0.5737 -0.5737 -0.2765 -0.2765 0.5642 0.5643 0.9003 0.9005 1.0097 1.0098 1.3938 1.3938 1.6419 1.6419 5.3077 5.3077 5.3684 5.3684 5.6577 5.6577 6.0066 6.0066 k = 0.0000 0.2844 0.2899 ( 6399 PWs) bands (ev): -17.1498 -17.1498 -13.1941 -13.1941 -12.5559 -12.5559 -10.5455 -10.5455 -9.9664 -9.9664 -8.3880 -8.3880 -8.1895 -8.1895 -6.1314 -6.1314 -5.0888 -5.0888 -4.0064 -4.0064 -3.4555 -3.4555 -3.1353 -3.1353 -2.7096 -2.7096 -1.1026 -1.1026 -0.5517 -0.5517 -0.3104 -0.3104 0.5652 0.5653 0.8995 0.8997 1.0126 1.0128 1.3966 1.3966 1.6274 1.6274 5.3276 5.3277 5.3776 5.3776 5.6527 5.6527 6.0197 6.0197 k = 0.0000 0.3047 0.3106 ( 6403 PWs) bands (ev): -17.1480 -17.1480 -13.1985 -13.1985 -12.5515 -12.5515 -10.5395 -10.5395 -9.9766 -9.9766 -8.3798 -8.3798 -8.1869 -8.1869 -6.1333 -6.1333 -5.0841 -5.0841 -3.9967 -3.9967 -3.4612 -3.4612 -3.1577 -3.1577 -2.7358 -2.7357 -1.1064 -1.1064 -0.5286 -0.5286 -0.3452 -0.3452 0.5639 0.5640 0.8978 0.8980 1.0164 1.0166 1.3994 1.3994 1.6122 1.6122 5.3477 5.3478 5.3876 5.3876 5.6480 5.6480 6.0331 6.0331 k = 0.0000 0.3250 0.3313 ( 6393 PWs) bands (ev): -17.1461 -17.1461 -13.2029 -13.2029 -12.5470 -12.5470 -10.5331 -10.5331 -9.9867 -9.9867 -8.3720 -8.3720 -8.1844 -8.1844 -6.1351 -6.1351 -5.0796 -5.0796 -3.9873 -3.9873 -3.4666 -3.4666 -3.1808 -3.1808 -2.7599 -2.7599 -1.1108 -1.1108 -0.5046 -0.5046 -0.3807 -0.3807 0.5601 0.5602 0.8952 0.8955 1.0211 1.0213 1.4022 1.4022 1.5965 1.5965 5.3678 5.3678 5.3983 5.3984 5.6434 5.6434 6.0467 6.0467 k = 0.0000 0.3453 0.3521 ( 6389 PWs) bands (ev): -17.1442 -17.1442 -13.2072 -13.2072 -12.5424 -12.5424 -10.5264 -10.5264 -9.9967 -9.9967 -8.3648 -8.3648 -8.1823 -8.1823 -6.1370 -6.1370 -5.0755 -5.0755 -3.9782 -3.9782 -3.4717 -3.4717 -3.2046 -3.2046 -2.7817 -2.7817 -1.1159 -1.1159 -0.4800 -0.4800 -0.4163 -0.4163 0.5536 0.5537 0.8918 0.8921 1.0266 1.0268 1.4048 1.4048 1.5804 1.5804 5.3875 5.3875 5.4099 5.4099 5.6388 5.6388 6.0606 6.0606 k = 0.0000 0.3656 0.3728 ( 6389 PWs) bands (ev): -17.1423 -17.1423 -13.2114 -13.2114 -12.5377 -12.5377 -10.5194 -10.5194 -10.0066 -10.0066 -8.3583 -8.3583 -8.1805 -8.1805 -6.1391 -6.1391 -5.0716 -5.0716 -3.9696 -3.9696 -3.4763 -3.4763 -3.2289 -3.2289 -2.8008 -2.8008 -1.1217 -1.1216 -0.4620 -0.4619 -0.4449 -0.4448 0.5443 0.5444 0.8878 0.8881 1.0327 1.0328 1.4073 1.4073 1.5640 1.5640 5.4065 5.4065 5.4223 5.4223 5.6341 5.6341 6.0747 6.0747 k = 0.0000 0.3859 0.3935 ( 6383 PWs) bands (ev): -17.1403 -17.1403 -13.2154 -13.2154 -12.5330 -12.5330 -10.5121 -10.5121 -10.0162 -10.0162 -8.3525 -8.3525 -8.1790 -8.1790 -6.1412 -6.1412 -5.0682 -5.0682 -3.9614 -3.9614 -3.4803 -3.4803 -3.2535 -3.2535 -2.8168 -2.8168 -1.1281 -1.1281 -0.4919 -0.4919 -0.4248 -0.4248 0.5323 0.5324 0.8834 0.8837 1.0390 1.0392 1.4096 1.4097 1.5473 1.5474 5.4244 5.4245 5.4357 5.4357 5.6290 5.6290 6.0889 6.0889 k = 0.0000 0.4062 0.4142 ( 6383 PWs) bands (ev): -17.1384 -17.1384 -13.2193 -13.2193 -12.5284 -12.5284 -10.5045 -10.5045 -10.0254 -10.0254 -8.3477 -8.3477 -8.1780 -8.1780 -6.1436 -6.1436 -5.0653 -5.0653 -3.9538 -3.9538 -3.4838 -3.4838 -3.2785 -3.2785 -2.8294 -2.8294 -1.1353 -1.1353 -0.5283 -0.5283 -0.3978 -0.3978 0.5176 0.5177 0.8788 0.8790 1.0453 1.0455 1.4117 1.4117 1.5307 1.5307 5.4409 5.4410 5.4503 5.4504 5.6234 5.6234 6.1033 6.1033 k = 0.0000 0.4265 0.4349 ( 6391 PWs) bands (ev): -17.1364 -17.1364 -13.2229 -13.2229 -12.5237 -12.5237 -10.4966 -10.4966 -10.0342 -10.0342 -8.3438 -8.3438 -8.1773 -8.1773 -6.1461 -6.1461 -5.0629 -5.0629 -3.9467 -3.9467 -3.4866 -3.4865 -3.3036 -3.3036 -2.8384 -2.8384 -1.1432 -1.1432 -0.5649 -0.5649 -0.3697 -0.3697 0.5004 0.5005 0.8740 0.8743 1.0513 1.0515 1.4135 1.4135 1.5141 1.5141 5.4561 5.4561 5.4658 5.4658 5.6172 5.6172 6.1177 6.1177 k = 0.0000 0.4468 0.4556 ( 6387 PWs) bands (ev): -17.1345 -17.1345 -13.2262 -13.2262 -12.5191 -12.5191 -10.4886 -10.4886 -10.0426 -10.0426 -8.3410 -8.3410 -8.1772 -8.1772 -6.1489 -6.1489 -5.0610 -5.0610 -3.9401 -3.9401 -3.4886 -3.4886 -3.3288 -3.3288 -2.8438 -2.8438 -1.1517 -1.1517 -0.6013 -0.6013 -0.3411 -0.3411 0.4810 0.4811 0.8694 0.8696 1.0567 1.0569 1.4149 1.4149 1.4977 1.4977 5.4702 5.4702 5.4813 5.4814 5.6103 5.6103 6.1323 6.1324 k = 0.0000 0.4672 0.4763 ( 6383 PWs) bands (ev): -17.1326 -17.1326 -13.2292 -13.2292 -12.5146 -12.5146 -10.4803 -10.4803 -10.0503 -10.0503 -8.3392 -8.3392 -8.1774 -8.1774 -6.1520 -6.1520 -5.0598 -5.0598 -3.9339 -3.9339 -3.4900 -3.4900 -3.3540 -3.3540 -2.8455 -2.8455 -1.1610 -1.1610 -0.6375 -0.6375 -0.3120 -0.3120 0.4597 0.4598 0.8648 0.8651 1.0612 1.0613 1.4159 1.4159 1.4815 1.4816 5.4832 5.4833 5.4967 5.4967 5.6029 5.6029 6.1471 6.1471 k = 0.0000 0.4875 0.4970 ( 6391 PWs) bands (ev): -17.1308 -17.1308 -13.2319 -13.2319 -12.5103 -12.5103 -10.4720 -10.4720 -10.0575 -10.0575 -8.3386 -8.3386 -8.1781 -8.1781 -6.1554 -6.1554 -5.0592 -5.0592 -3.9281 -3.9281 -3.4906 -3.4906 -3.3790 -3.3790 -2.8434 -2.8434 -1.1709 -1.1709 -0.6732 -0.6732 -0.2825 -0.2825 0.4368 0.4369 0.8603 0.8606 1.0646 1.0647 1.4164 1.4164 1.4658 1.4658 5.4945 5.4946 5.5118 5.5118 5.5952 5.5953 6.1619 6.1619 k = 0.0000 0.5078 0.5177 ( 6375 PWs) bands (ev): -17.1289 -17.1289 -13.2343 -13.2343 -12.5060 -12.5060 -10.4634 -10.4634 -10.0640 -10.0640 -8.3391 -8.3391 -8.1793 -8.1793 -6.1590 -6.1590 -5.0593 -5.0593 -3.9226 -3.9226 -3.4906 -3.4906 -3.4036 -3.4036 -2.8378 -2.8378 -1.1814 -1.1814 -0.7084 -0.7084 -0.2527 -0.2527 0.4128 0.4129 0.8559 0.8562 1.0667 1.0668 1.4162 1.4162 1.4506 1.4507 5.5030 5.5030 5.5265 5.5265 5.5885 5.5885 6.1768 6.1768 k = 0.0000 0.5281 0.5384 ( 6381 PWs) bands (ev): -17.1272 -17.1272 -13.2363 -13.2363 -12.5019 -12.5019 -10.4548 -10.4548 -10.0699 -10.0699 -8.3408 -8.3408 -8.1809 -8.1809 -6.1630 -6.1630 -5.0600 -5.0600 -3.9173 -3.9173 -3.4900 -3.4900 -3.4278 -3.4278 -2.8286 -2.8286 -1.1925 -1.1925 -0.7429 -0.7429 -0.2228 -0.2228 0.3879 0.3880 0.8516 0.8518 1.0674 1.0676 1.4147 1.4148 1.4366 1.4367 5.5072 5.5073 5.5397 5.5397 5.5848 5.5848 6.1918 6.1918 k = 0.0000 0.5484 0.5591 ( 6359 PWs) bands (ev): -17.1255 -17.1255 -13.2380 -13.2380 -12.4980 -12.4980 -10.4461 -10.4461 -10.0751 -10.0751 -8.3437 -8.3437 -8.1830 -8.1830 -6.1672 -6.1672 -5.0613 -5.0613 -3.9122 -3.9122 -3.4893 -3.4893 -3.4509 -3.4509 -2.8160 -2.8160 -1.2041 -1.2040 -0.7766 -0.7766 -0.1928 -0.1928 0.3626 0.3627 0.8473 0.8475 1.0668 1.0669 1.4096 1.4098 1.4259 1.4261 5.5058 5.5058 5.5491 5.5491 5.5879 5.5880 6.2069 6.2069 k = 0.0000 0.5687 0.5799 ( 6349 PWs) bands (ev): -17.1238 -17.1238 -13.2393 -13.2393 -12.4943 -12.4943 -10.4374 -10.4374 -10.0795 -10.0795 -8.3477 -8.3477 -8.1855 -8.1855 -6.1717 -6.1717 -5.0632 -5.0632 -3.9072 -3.9072 -3.4915 -3.4915 -3.4700 -3.4699 -2.8003 -2.8003 -1.2161 -1.2161 -0.8094 -0.8094 -0.1628 -0.1628 0.3372 0.3373 0.8428 0.8431 1.0646 1.0648 1.3989 1.3990 1.4209 1.4210 5.4980 5.4980 5.5540 5.5541 5.5991 5.5991 6.2219 6.2219 k = 0.0000 0.5890 0.6006 ( 6351 PWs) bands (ev): -17.1223 -17.1223 -13.2402 -13.2402 -12.4908 -12.4908 -10.4287 -10.4287 -10.0833 -10.0833 -8.3528 -8.3528 -8.1884 -8.1884 -6.1763 -6.1763 -5.0658 -5.0658 -3.9024 -3.9024 -3.5055 -3.5055 -3.4760 -3.4760 -2.7817 -2.7817 -1.2286 -1.2286 -0.8413 -0.8413 -0.1330 -0.1330 0.3122 0.3122 0.8383 0.8385 1.0611 1.0612 1.3853 1.3854 1.4186 1.4186 5.4849 5.4849 5.5566 5.5566 5.6149 5.6149 6.2370 6.2370 k = 0.0000 0.6093 0.6213 ( 6355 PWs) bands (ev): -17.1208 -17.1208 -13.2408 -13.2408 -12.4875 -12.4875 -10.4201 -10.4201 -10.0864 -10.0864 -8.3590 -8.3590 -8.1917 -8.1917 -6.1811 -6.1811 -5.0689 -5.0689 -3.8976 -3.8976 -3.5261 -3.5261 -3.4741 -3.4741 -2.7603 -2.7603 -1.2414 -1.2413 -0.8722 -0.8722 -0.1035 -0.1035 0.2877 0.2878 0.8335 0.8337 1.0563 1.0564 1.3709 1.3710 1.4167 1.4167 5.4681 5.4681 5.5580 5.5580 5.6330 5.6330 6.2519 6.2520 k = 0.0000 0.6296 0.6420 ( 6353 PWs) bands (ev): -17.1194 -17.1194 -13.2410 -13.2410 -12.4845 -12.4845 -10.4115 -10.4115 -10.0888 -10.0888 -8.3662 -8.3662 -8.1954 -8.1954 -6.1859 -6.1859 -5.0725 -5.0725 -3.8930 -3.8930 -3.5475 -3.5475 -3.4702 -3.4702 -2.7365 -2.7365 -1.2544 -1.2544 -0.9019 -0.9019 -0.0744 -0.0744 0.2641 0.2642 0.8284 0.8287 1.0502 1.0503 1.3563 1.3563 1.4149 1.4149 5.4486 5.4486 5.5582 5.5582 5.6522 5.6522 6.2668 6.2668 k = 0.0000 0.6500 0.6627 ( 6355 PWs) bands (ev): -17.1180 -17.1180 -13.2410 -13.2410 -12.4816 -12.4816 -10.4030 -10.4030 -10.0905 -10.0905 -8.3742 -8.3742 -8.1993 -8.1993 -6.1908 -6.1908 -5.0766 -5.0766 -3.8886 -3.8886 -3.5686 -3.5686 -3.4654 -3.4654 -2.7104 -2.7104 -1.2676 -1.2676 -0.9305 -0.9305 -0.0458 -0.0458 0.2417 0.2418 0.8230 0.8232 1.0429 1.0430 1.3414 1.3415 1.4131 1.4131 5.4270 5.4270 5.5572 5.5572 5.6719 5.6719 6.2814 6.2814 k = 0.0000 0.6703 0.6834 ( 6346 PWs) bands (ev): -17.1168 -17.1168 -13.2406 -13.2406 -12.4790 -12.4790 -10.3946 -10.3946 -10.0916 -10.0916 -8.3830 -8.3830 -8.2036 -8.2036 -6.1955 -6.1955 -5.0810 -5.0810 -3.8844 -3.8844 -3.5890 -3.5890 -3.4599 -3.4599 -2.6825 -2.6825 -1.2809 -1.2809 -0.9579 -0.9579 -0.0179 -0.0179 0.2208 0.2209 0.8172 0.8174 1.0347 1.0348 1.3265 1.3265 1.4111 1.4112 5.4039 5.4039 5.5551 5.5551 5.6920 5.6920 6.2958 6.2958 k = 0.0000 0.6906 0.7041 ( 6346 PWs) bands (ev): -17.1156 -17.1156 -13.2399 -13.2399 -12.4766 -12.4766 -10.3865 -10.3865 -10.0921 -10.0921 -8.3926 -8.3926 -8.2080 -8.2080 -6.2000 -6.2000 -5.0858 -5.0858 -3.8805 -3.8805 -3.6087 -3.6087 -3.4540 -3.4540 -2.6529 -2.6529 -1.2942 -1.2942 -0.9840 -0.9840 0.0090 0.0090 0.2017 0.2018 0.8108 0.8110 1.0255 1.0256 1.3116 1.3116 1.4092 1.4092 5.3795 5.3795 5.5517 5.5518 5.7123 5.7123 6.3099 6.3099 k = 0.0000 0.7109 0.7248 ( 6346 PWs) bands (ev): -17.1146 -17.1146 -13.2390 -13.2390 -12.4745 -12.4745 -10.3785 -10.3785 -10.0921 -10.0921 -8.4027 -8.4027 -8.2127 -8.2127 -6.2043 -6.2043 -5.0908 -5.0908 -3.8770 -3.8770 -3.6275 -3.6275 -3.4477 -3.4477 -2.6220 -2.6220 -1.3074 -1.3074 -1.0088 -1.0088 0.0347 0.0347 0.1847 0.1847 0.8039 0.8041 1.0155 1.0156 1.2967 1.2967 1.4072 1.4072 5.3542 5.3542 5.5474 5.5474 5.7325 5.7325 6.3236 6.3236 k = 0.0000 0.7312 0.7455 ( 6354 PWs) bands (ev): -17.1136 -17.1136 -13.2379 -13.2379 -12.4726 -12.4726 -10.3708 -10.3708 -10.0916 -10.0916 -8.4133 -8.4133 -8.2175 -8.2175 -6.2083 -6.2083 -5.0960 -5.0960 -3.8740 -3.8740 -3.6455 -3.6455 -3.4412 -3.4412 -2.5901 -2.5901 -1.3204 -1.3204 -1.0323 -1.0323 0.0586 0.0586 0.1703 0.1703 0.7964 0.7966 1.0049 1.0050 1.2821 1.2821 1.4053 1.4053 5.3283 5.3283 5.5421 5.5421 5.7525 5.7525 6.3368 6.3368 k = 0.0000 0.7515 0.7662 ( 6366 PWs) bands (ev): -17.1127 -17.1127 -13.2366 -13.2366 -12.4708 -12.4708 -10.3633 -10.3633 -10.0907 -10.0907 -8.4241 -8.4241 -8.2223 -8.2223 -6.2120 -6.2120 -5.1013 -5.1013 -3.8714 -3.8713 -3.6624 -3.6624 -3.4345 -3.4345 -2.5575 -2.5575 -1.3331 -1.3331 -1.0543 -1.0543 0.0794 0.0794 0.1598 0.1598 0.7882 0.7884 0.9938 0.9939 1.2678 1.2678 1.4034 1.4034 5.3021 5.3021 5.5360 5.5360 5.7722 5.7722 6.3495 6.3495 k = 0.0000 0.7718 0.7869 ( 6362 PWs) bands (ev): -17.1118 -17.1118 -13.2352 -13.2352 -12.4693 -12.4693 -10.3562 -10.3562 -10.0894 -10.0894 -8.4352 -8.4352 -8.2271 -8.2271 -6.2154 -6.2154 -5.1066 -5.1066 -3.8692 -3.8692 -3.6784 -3.6784 -3.4278 -3.4278 -2.5246 -2.5246 -1.3455 -1.3455 -1.0749 -1.0749 0.0943 0.0943 0.1558 0.1558 0.7793 0.7795 0.9823 0.9824 1.2541 1.2541 1.4016 1.4016 5.2759 5.2759 5.5293 5.5293 5.7914 5.7914 6.3616 6.3616 k = 0.0000 0.7921 0.8077 ( 6364 PWs) bands (ev): -17.1111 -17.1111 -13.2336 -13.2336 -12.4679 -12.4679 -10.3494 -10.3494 -10.0879 -10.0879 -8.4462 -8.4462 -8.2320 -8.2320 -6.2183 -6.2183 -5.1119 -5.1119 -3.8676 -3.8676 -3.6933 -3.6933 -3.4211 -3.4211 -2.4919 -2.4919 -1.3574 -1.3574 -1.0940 -1.0940 0.1001 0.1001 0.1616 0.1616 0.7697 0.7698 0.9706 0.9707 1.2412 1.2412 1.3999 1.3999 5.2500 5.2500 5.5221 5.5221 5.8100 5.8100 6.3730 6.3730 k = 0.0000 0.8124 0.8284 ( 6360 PWs) bands (ev): -17.1104 -17.1104 -13.2320 -13.2320 -12.4668 -12.4668 -10.3430 -10.3430 -10.0861 -10.0861 -8.4570 -8.4570 -8.2367 -8.2367 -6.2209 -6.2209 -5.1171 -5.1171 -3.8664 -3.8664 -3.7071 -3.7071 -3.4146 -3.4146 -2.4596 -2.4596 -1.3687 -1.3687 -1.1117 -1.1117 0.0987 0.0987 0.1750 0.1750 0.7594 0.7595 0.9590 0.9591 1.2291 1.2291 1.3982 1.3983 5.2246 5.2246 5.5147 5.5147 5.8278 5.8278 6.3838 6.3838 k = 0.0000 0.8328 0.8491 ( 6366 PWs) bands (ev): -17.1098 -17.1098 -13.2304 -13.2304 -12.4658 -12.4658 -10.3370 -10.3370 -10.0842 -10.0842 -8.4676 -8.4676 -8.2412 -8.2412 -6.2230 -6.2230 -5.1221 -5.1221 -3.8658 -3.8658 -3.7198 -3.7198 -3.4082 -3.4082 -2.4282 -2.4282 -1.3794 -1.3793 -1.1279 -1.1279 0.0947 0.0947 0.1912 0.1912 0.7484 0.7486 0.9476 0.9477 1.2180 1.2180 1.3967 1.3967 5.2002 5.2002 5.5072 5.5072 5.8447 5.8447 6.3938 6.3938 k = 0.0000 0.8531 0.8698 ( 6368 PWs) bands (ev): -17.1092 -17.1092 -13.2288 -13.2288 -12.4649 -12.4649 -10.3314 -10.3314 -10.0822 -10.0822 -8.4777 -8.4777 -8.2455 -8.2455 -6.2248 -6.2248 -5.1268 -5.1268 -3.8655 -3.8655 -3.7313 -3.7313 -3.4022 -3.4022 -2.3981 -2.3981 -1.3893 -1.3893 -1.1426 -1.1426 0.0904 0.0904 0.2077 0.2077 0.7370 0.7371 0.9367 0.9368 1.2079 1.2079 1.3954 1.3954 5.1770 5.1770 5.4998 5.4998 5.8604 5.8604 6.4030 6.4030 k = 0.0000 0.8734 0.8905 ( 6364 PWs) bands (ev): -17.1088 -17.1088 -13.2273 -13.2273 -12.4642 -12.4642 -10.3264 -10.3264 -10.0802 -10.0802 -8.4872 -8.4872 -8.2495 -8.2495 -6.2263 -6.2263 -5.1312 -5.1312 -3.8656 -3.8656 -3.7417 -3.7417 -3.3966 -3.3966 -2.3698 -2.3698 -1.3984 -1.3984 -1.1557 -1.1557 0.0867 0.0868 0.2234 0.2234 0.7253 0.7254 0.9266 0.9267 1.1990 1.1990 1.3941 1.3941 5.1554 5.1554 5.4927 5.4927 5.8750 5.8750 6.4114 6.4114 k = 0.0000 0.8937 0.9112 ( 6368 PWs) bands (ev): -17.1084 -17.1084 -13.2258 -13.2258 -12.4636 -12.4636 -10.3218 -10.3218 -10.0782 -10.0782 -8.4960 -8.4960 -8.2532 -8.2532 -6.2275 -6.2275 -5.1352 -5.1352 -3.8659 -3.8659 -3.7508 -3.7508 -3.3914 -3.3914 -2.3436 -2.3436 -1.4066 -1.4066 -1.1673 -1.1673 0.0839 0.0839 0.2378 0.2378 0.7135 0.7136 0.9173 0.9174 1.1912 1.1912 1.3930 1.3930 5.1355 5.1355 5.4860 5.4860 5.8882 5.8882 6.4189 6.4189 k = 0.0000 0.9140 0.9319 ( 6366 PWs) bands (ev): -17.1080 -17.1080 -13.2245 -13.2245 -12.4631 -12.4631 -10.3178 -10.3178 -10.0764 -10.0764 -8.5038 -8.5038 -8.2565 -8.2565 -6.2284 -6.2284 -5.1388 -5.1388 -3.8664 -3.8664 -3.7588 -3.7588 -3.3868 -3.3868 -2.3200 -2.3200 -1.4138 -1.4138 -1.1774 -1.1774 0.0819 0.0819 0.2506 0.2506 0.7022 0.7023 0.9091 0.9091 1.1846 1.1846 1.3920 1.3921 5.1177 5.1177 5.4799 5.4799 5.8999 5.8999 6.4254 6.4254 k = 0.0000 0.9343 0.9526 ( 6356 PWs) bands (ev): -17.1077 -17.1077 -13.2233 -13.2233 -12.4626 -12.4626 -10.3144 -10.3144 -10.0747 -10.0747 -8.5107 -8.5107 -8.2594 -8.2594 -6.2291 -6.2291 -5.1420 -5.1420 -3.8671 -3.8670 -3.7655 -3.7655 -3.3828 -3.3827 -2.2993 -2.2993 -1.4200 -1.4200 -1.1859 -1.1859 0.0806 0.0806 0.2616 0.2616 0.6916 0.6916 0.9020 0.9021 1.1791 1.1791 1.3912 1.3912 5.1022 5.1022 5.4744 5.4744 5.9101 5.9101 6.4310 6.4310 k = 0.0000 0.9546 0.9733 ( 6360 PWs) bands (ev): -17.1075 -17.1075 -13.2222 -13.2222 -12.4623 -12.4623 -10.3115 -10.3115 -10.0733 -10.0733 -8.5165 -8.5165 -8.2618 -8.2618 -6.2296 -6.2296 -5.1446 -5.1446 -3.8677 -3.8677 -3.7710 -3.7710 -3.3794 -3.3794 -2.2819 -2.2819 -1.4252 -1.4252 -1.1929 -1.1929 0.0798 0.0799 0.2708 0.2708 0.6822 0.6822 0.8962 0.8962 1.1746 1.1746 1.3906 1.3906 5.0893 5.0893 5.4698 5.4698 5.9185 5.9185 6.4356 6.4356 k = 0.0000 0.9749 0.9940 ( 6372 PWs) bands (ev): -17.1073 -17.1073 -13.2214 -13.2214 -12.4621 -12.4621 -10.3093 -10.3093 -10.0722 -10.0722 -8.5211 -8.5211 -8.2638 -8.2638 -6.2299 -6.2299 -5.1467 -5.1467 -3.8683 -3.8683 -3.7753 -3.7753 -3.3767 -3.3767 -2.2681 -2.2681 -1.4292 -1.4292 -1.1983 -1.1983 0.0795 0.0795 0.2780 0.2780 0.6743 0.6744 0.8916 0.8916 1.1712 1.1712 1.3900 1.3900 5.0790 5.0790 5.4662 5.4662 5.9251 5.9251 6.4392 6.4392 k = 0.0000 0.9952 1.0147 ( 6364 PWs) bands (ev): -17.1072 -17.1072 -13.2209 -13.2209 -12.4619 -12.4619 -10.3077 -10.3077 -10.0713 -10.0713 -8.5244 -8.5244 -8.2651 -8.2651 -6.2301 -6.2301 -5.1481 -5.1481 -3.8688 -3.8688 -3.7784 -3.7784 -3.3748 -3.3748 -2.2580 -2.2580 -1.4321 -1.4321 -1.2022 -1.2022 0.0794 0.0794 0.2831 0.2831 0.6685 0.6685 0.8883 0.8884 1.1688 1.1688 1.3897 1.3897 5.0716 5.0716 5.4635 5.4635 5.9299 5.9299 6.4418 6.4418 k = 0.0000 1.0156 1.0355 ( 6372 PWs) bands (ev): -17.1071 -17.1071 -13.2205 -13.2205 -12.4618 -12.4618 -10.3067 -10.3067 -10.0708 -10.0708 -8.5264 -8.5264 -8.2660 -8.2660 -6.2303 -6.2303 -5.1490 -5.1490 -3.8691 -3.8691 -3.7802 -3.7802 -3.3736 -3.3736 -2.2520 -2.2520 -1.4338 -1.4338 -1.2045 -1.2045 0.0794 0.0794 0.2862 0.2862 0.6649 0.6649 0.8864 0.8864 1.1673 1.1673 1.3894 1.3894 5.0672 5.0672 5.4619 5.4619 5.9328 5.9328 6.4433 6.4433 k = 0.0000 1.0156 1.0355 ( 6372 PWs) bands (ev): -17.1071 -17.1071 -13.2205 -13.2205 -12.4618 -12.4618 -10.3067 -10.3067 -10.0708 -10.0708 -8.5264 -8.5264 -8.2660 -8.2660 -6.2303 -6.2303 -5.1490 -5.1490 -3.8691 -3.8691 -3.7802 -3.7802 -3.3736 -3.3736 -2.2520 -2.2520 -1.4338 -1.4338 -1.2045 -1.2045 0.0794 0.0794 0.2862 0.2862 0.6649 0.6649 0.8864 0.8864 1.1673 1.1673 1.3894 1.3894 5.0672 5.0672 5.4619 5.4619 5.9328 5.9328 6.4433 6.4433 k = 0.0079 0.9878 1.0355 ( 6370 PWs) bands (ev): -17.1072 -17.1072 -13.2207 -13.2207 -12.4620 -12.4620 -10.3074 -10.3073 -10.0710 -10.0710 -8.5251 -8.5251 -8.2656 -8.2656 -6.2302 -6.2301 -5.1486 -5.1484 -3.8694 -3.8683 -3.7794 -3.7777 -3.3745 -3.3741 -2.2557 -2.2555 -1.4396 -1.4262 -1.2081 -1.1966 0.0788 0.0800 0.2838 0.2839 0.6630 0.6707 0.8805 0.8946 1.1662 1.1713 1.3750 1.4050 5.0692 5.0710 5.4618 5.4629 5.9300 5.9301 6.4415 6.4439 k = 0.0159 0.9600 1.0355 ( 6372 PWs) bands (ev): -17.1074 -17.1074 -13.2209 -13.2209 -12.4624 -12.4623 -10.3084 -10.3083 -10.0713 -10.0713 -8.5232 -8.5232 -8.2652 -8.2651 -6.2301 -6.2299 -5.1478 -5.1475 -3.8696 -3.8676 -3.7768 -3.7735 -3.3757 -3.3750 -2.2612 -2.2608 -1.4448 -1.4185 -1.2092 -1.1868 0.0784 0.0807 0.2796 0.2796 0.6616 0.6771 0.8751 0.9034 1.1669 1.1766 1.3616 1.4212 5.0732 5.0768 5.4612 5.4633 5.9243 5.9245 6.4397 6.4446 k = 0.0238 0.9322 1.0355 ( 6378 PWs) bands (ev): -17.1076 -17.1076 -13.2211 -13.2211 -12.4631 -12.4629 -10.3098 -10.3097 -10.0716 -10.0716 -8.5207 -8.5206 -8.2648 -8.2647 -6.2298 -6.2295 -5.1469 -5.1464 -3.8697 -3.8668 -3.7725 -3.7678 -3.3772 -3.3762 -2.2685 -2.2679 -1.4495 -1.4110 -1.2078 -1.1751 0.0780 0.0812 0.2732 0.2737 0.6608 0.6844 0.8704 0.9128 1.1694 1.1830 1.3494 1.4381 5.0792 5.0844 5.4600 5.4633 5.9158 5.9161 6.4380 6.4452 k = 0.0317 0.9044 1.0355 ( 6372 PWs) bands (ev): -17.1080 -17.1080 -13.2214 -13.2214 -12.4639 -12.4637 -10.3115 -10.3115 -10.0720 -10.0720 -8.5174 -8.5174 -8.2643 -8.2642 -6.2295 -6.2290 -5.1456 -5.1450 -3.8695 -3.8660 -3.7664 -3.7605 -3.3790 -3.3777 -2.2774 -2.2766 -1.4534 -1.4038 -1.2036 -1.1616 0.0778 0.0814 0.2648 0.2663 0.6604 0.6924 0.8664 0.9226 1.1739 1.1901 1.3387 1.4555 5.0869 5.0938 5.4585 5.4628 5.9047 5.9051 6.4362 6.4459 k = 0.0397 0.8766 1.0355 ( 6368 PWs) bands (ev): -17.1084 -17.1084 -13.2217 -13.2217 -12.4649 -12.4648 -10.3137 -10.3136 -10.0723 -10.0723 -8.5136 -8.5135 -8.2639 -8.2637 -6.2290 -6.2285 -5.1441 -5.1434 -3.8693 -3.8653 -3.7586 -3.7516 -3.3811 -3.3795 -2.2880 -2.2870 -1.4566 -1.3973 -1.1963 -1.1463 0.0776 0.0811 0.2544 0.2576 0.6605 0.7012 0.8632 0.9329 1.1802 1.1974 1.3298 1.4734 5.0963 5.1049 5.4565 5.4621 5.8911 5.8915 6.4345 6.4465 k = 0.0476 0.8488 1.0355 ( 6364 PWs) bands (ev): -17.1089 -17.1089 -13.2220 -13.2220 -12.4662 -12.4660 -10.3161 -10.3160 -10.0727 -10.0727 -8.5091 -8.5091 -8.2634 -8.2632 -6.2285 -6.2278 -5.1423 -5.1415 -3.8690 -3.8646 -3.7491 -3.7413 -3.3836 -3.3817 -2.3001 -2.2989 -1.4591 -1.3915 -1.1860 -1.1295 0.0773 0.0801 0.2421 0.2480 0.6609 0.7110 0.8610 0.9435 1.1883 1.2045 1.3230 1.4915 5.1074 5.1174 5.4543 5.4611 5.8753 5.8757 6.4326 6.4469 k = 0.0556 0.8210 1.0355 ( 6368 PWs) bands (ev): -17.1095 -17.1095 -13.2224 -13.2223 -12.4677 -12.4674 -10.3189 -10.3188 -10.0732 -10.0732 -8.5041 -8.5040 -8.2628 -8.2627 -6.2278 -6.2271 -5.1403 -5.1393 -3.8685 -3.8641 -3.7380 -3.7296 -3.3863 -3.3842 -2.3136 -2.3123 -1.4609 -1.3864 -1.1727 -1.1110 0.0769 0.0779 0.2282 0.2377 0.6616 0.7218 0.8599 0.9545 1.1980 1.2108 1.3189 1.5098 5.1198 5.1312 5.4520 5.4601 5.8575 5.8578 6.4306 6.4471 k = 0.0635 0.7932 1.0355 ( 6369 PWs) bands (ev): -17.1102 -17.1101 -13.2227 -13.2227 -12.4693 -12.4690 -10.3220 -10.3219 -10.0736 -10.0736 -8.4986 -8.4985 -8.2623 -8.2621 -6.2270 -6.2262 -5.1381 -5.1370 -3.8681 -3.8635 -3.7254 -3.7165 -3.3893 -3.3870 -2.3284 -2.3270 -1.4620 -1.3821 -1.1565 -1.0911 0.0741 0.0760 0.2129 0.2274 0.6623 0.7336 0.8602 0.9656 1.2093 1.2156 1.3179 1.5282 5.1333 5.1459 5.4497 5.4592 5.8380 5.8382 6.4284 6.4470 k = 0.0714 0.7654 1.0355 ( 6375 PWs) bands (ev): -17.1109 -17.1109 -13.2231 -13.2231 -12.4711 -12.4707 -10.3253 -10.3252 -10.0741 -10.0741 -8.4925 -8.4924 -8.2617 -8.2614 -6.2260 -6.2252 -5.1357 -5.1345 -3.8676 -3.8631 -3.7113 -3.7022 -3.3925 -3.3901 -2.3445 -2.3428 -1.4623 -1.3785 -1.1375 -1.0697 0.0682 0.0742 0.1968 0.2176 0.6630 0.7465 0.8618 0.9768 1.2188 1.2221 1.3201 1.5466 5.1479 5.1615 5.4476 5.4587 5.8170 5.8171 6.4258 6.4466 k = 0.0794 0.7376 1.0355 ( 6378 PWs) bands (ev): -17.1117 -17.1116 -13.2236 -13.2235 -12.4730 -12.4726 -10.3289 -10.3288 -10.0747 -10.0747 -8.4861 -8.4859 -8.2610 -8.2608 -6.2249 -6.2241 -5.1330 -5.1317 -3.8671 -3.8628 -3.6960 -3.6866 -3.3961 -3.3935 -2.3615 -2.3598 -1.4621 -1.3754 -1.1161 -1.0469 0.0595 0.0710 0.1805 0.2089 0.6636 0.7606 0.8651 0.9880 1.2203 1.2361 1.3254 1.5648 5.1630 5.1773 5.4461 5.4589 5.7947 5.7948 6.4229 6.4458 k = 0.0873 0.7098 1.0355 ( 6372 PWs) bands (ev): -17.1125 -17.1125 -13.2240 -13.2240 -12.4750 -12.4746 -10.3327 -10.3326 -10.0753 -10.0753 -8.4792 -8.4790 -8.2603 -8.2601 -6.2237 -6.2228 -5.1302 -5.1288 -3.8667 -3.8625 -3.6795 -3.6700 -3.3998 -3.3971 -2.3795 -2.3776 -1.4612 -1.3727 -1.0926 -1.0229 0.0479 0.0653 0.1652 0.2018 0.6639 0.7757 0.8699 0.9989 1.2207 1.2513 1.3331 1.5826 5.1783 5.1931 5.4453 5.4601 5.7715 5.7717 6.4196 6.4446 k = 0.0952 0.6820 1.0355 ( 6377 PWs) bands (ev): -17.1133 -17.1133 -13.2245 -13.2244 -12.4771 -12.4768 -10.3367 -10.3365 -10.0759 -10.0759 -8.4719 -8.4718 -8.2596 -8.2593 -6.2224 -6.2214 -5.1272 -5.1258 -3.8664 -3.8623 -3.6619 -3.6524 -3.4038 -3.4011 -2.3982 -2.3962 -1.4598 -1.3703 -1.0671 -0.9976 0.0331 0.0559 0.1524 0.1965 0.6639 0.7919 0.8764 1.0095 1.2207 1.2674 1.3425 1.6001 5.1935 5.2083 5.4457 5.4628 5.7477 5.7480 6.4159 6.4430 k = 0.1032 0.6542 1.0355 ( 6373 PWs) bands (ev): -17.1143 -17.1142 -13.2249 -13.2249 -12.4794 -12.4790 -10.3408 -10.3407 -10.0766 -10.0766 -8.4644 -8.4642 -8.2588 -8.2585 -6.2208 -6.2198 -5.1241 -5.1226 -3.8662 -3.8622 -3.6434 -3.6339 -3.4080 -3.4053 -2.4175 -2.4154 -1.4579 -1.3680 -1.0400 -0.9712 0.0152 0.0419 0.1431 0.1930 0.6635 0.8089 0.8844 1.0197 1.2207 1.2844 1.3529 1.6169 5.2080 5.2225 5.4477 5.4674 5.7236 5.7241 6.4117 6.4409 k = 0.1111 0.6264 1.0355 ( 6371 PWs) bands (ev): -17.1152 -17.1152 -13.2254 -13.2254 -12.4816 -12.4812 -10.3450 -10.3449 -10.0773 -10.0773 -8.4566 -8.4564 -8.2580 -8.2577 -6.2192 -6.2182 -5.1209 -5.1192 -3.8661 -3.8623 -3.6242 -3.6147 -3.4123 -3.4097 -2.4373 -2.4351 -1.4556 -1.3658 -1.0115 -0.9439 -0.0052 0.0232 0.1375 0.1913 0.6629 0.8266 0.8938 1.0293 1.2213 1.3021 1.3638 1.6330 5.2213 5.2350 5.4516 5.4743 5.6996 5.7003 6.4070 6.4382 k = 0.1190 0.5987 1.0355 ( 6363 PWs) bands (ev): -17.1161 -17.1161 -13.2259 -13.2259 -12.4839 -12.4835 -10.3494 -10.3493 -10.0781 -10.0781 -8.4486 -8.4484 -8.2571 -8.2567 -6.2174 -6.2163 -5.1175 -5.1158 -3.8662 -3.8625 -3.6043 -3.5949 -3.4168 -3.4143 -2.4574 -2.4551 -1.4528 -1.3636 -0.9819 -0.9156 -0.0278 0.0009 0.1349 0.1909 0.6621 0.8449 0.9044 1.0382 1.2226 1.3204 1.3749 1.6483 5.2330 5.2454 5.4580 5.4839 5.6760 5.6768 6.4019 6.4350 k = 0.1270 0.5709 1.0355 ( 6365 PWs) bands (ev): -17.1171 -17.1171 -13.2265 -13.2264 -12.4863 -12.4858 -10.3538 -10.3537 -10.0789 -10.0789 -8.4405 -8.4402 -8.2561 -8.2558 -6.2155 -6.2144 -5.1140 -5.1123 -3.8664 -3.8628 -3.5840 -3.5748 -3.4214 -3.4191 -2.4776 -2.4753 -1.4497 -1.3614 -0.9515 -0.8867 -0.0521 -0.0241 0.1346 0.1916 0.6613 0.8635 0.9159 1.0464 1.2250 1.3390 1.3857 1.6625 5.2426 5.2536 5.4669 5.4961 5.6531 5.6540 6.3961 6.4313 k = 0.1349 0.5431 1.0355 ( 6365 PWs) bands (ev): -17.1181 -17.1181 -13.2270 -13.2270 -12.4886 -12.4882 -10.3582 -10.3581 -10.0798 -10.0798 -8.4323 -8.4320 -8.2550 -8.2547 -6.2134 -6.2123 -5.1105 -5.1088 -3.8668 -3.8632 -3.5635 -3.5544 -3.4261 -3.4240 -2.4979 -2.4954 -1.4462 -1.3591 -0.9205 -0.8573 -0.0777 -0.0508 0.1358 0.1934 0.6605 0.8820 0.9280 1.0538 1.2285 1.3580 1.3960 1.6756 5.2499 5.2594 5.4785 5.5109 5.6312 5.6324 6.3899 6.4271 k = 0.1429 0.5153 1.0355 ( 6366 PWs) bands (ev): -17.1190 -17.1190 -13.2276 -13.2275 -12.4909 -12.4905 -10.3626 -10.3625 -10.0807 -10.0807 -8.4240 -8.4238 -8.2539 -8.2536 -6.2112 -6.2102 -5.1069 -5.1052 -3.8673 -3.8639 -3.5431 -3.5341 -3.4308 -3.4290 -2.5179 -2.5154 -1.4424 -1.3567 -0.8892 -0.8276 -0.1041 -0.0786 0.1381 0.1959 0.6599 0.9004 0.9406 1.0605 1.2332 1.3770 1.4058 1.6875 5.2552 5.2632 5.4925 5.5276 5.6108 5.6124 6.3830 6.4222 k = 0.1508 0.4875 1.0355 ( 6365 PWs) bands (ev): -17.1200 -17.1200 -13.2281 -13.2281 -12.4932 -12.4927 -10.3670 -10.3669 -10.0816 -10.0816 -8.4158 -8.4156 -8.2528 -8.2524 -6.2089 -6.2078 -5.1033 -5.1016 -3.8681 -3.8646 -3.5229 -3.5140 -3.4355 -3.4340 -2.5377 -2.5351 -1.4384 -1.3543 -0.8579 -0.7977 -0.1310 -0.1069 0.1414 0.1992 0.6596 0.9182 0.9532 1.0664 1.2389 1.3960 1.4147 1.6979 5.2586 5.2652 5.5083 5.5445 5.5924 5.5957 6.3756 6.4167 k = 0.1587 0.4597 1.0355 ( 6363 PWs) bands (ev): -17.1209 -17.1209 -13.2287 -13.2286 -12.4953 -12.4949 -10.3713 -10.3713 -10.0826 -10.0826 -8.4077 -8.4075 -8.2515 -8.2512 -6.2064 -6.2054 -5.0998 -5.0980 -3.8690 -3.8655 -3.5034 -3.4945 -3.4397 -3.4388 -2.5570 -2.5544 -1.4342 -1.3517 -0.8269 -0.7679 -0.1580 -0.1355 0.1454 0.2030 0.6598 0.9351 0.9658 1.0718 1.2457 1.4147 1.4228 1.7069 5.2605 5.2657 5.5243 5.5545 5.5772 5.5892 6.3675 6.4106 k = 0.1667 0.4319 1.0355 ( 6357 PWs) bands (ev): -17.1218 -17.1218 -13.2293 -13.2292 -12.4974 -12.4970 -10.3755 -10.3755 -10.0836 -10.0836 -8.3997 -8.3995 -8.2502 -8.2499 -6.2039 -6.2030 -5.0962 -5.0945 -3.8701 -3.8666 -3.4854 -3.4763 -3.4430 -3.4428 -2.5758 -2.5731 -1.4297 -1.3490 -0.7964 -0.7384 -0.1848 -0.1638 0.1501 0.2074 0.6606 0.9509 0.9779 1.0764 1.2534 1.4300 1.4330 1.7143 5.2613 5.2652 5.5356 5.5481 5.5701 5.6020 6.3588 6.4039 k = 0.1746 0.4041 1.0355 ( 6363 PWs) bands (ev): -17.1227 -17.1227 -13.2298 -13.2298 -12.4994 -12.4990 -10.3796 -10.3796 -10.0847 -10.0847 -8.3920 -8.3917 -8.2488 -8.2485 -6.2014 -6.2004 -5.0927 -5.0910 -3.8713 -3.8678 -3.4716 -3.4629 -3.4429 -3.4428 -2.5938 -2.5911 -1.4252 -1.3462 -0.7668 -0.7095 -0.2110 -0.1915 0.1554 0.2124 0.6620 0.9653 0.9896 1.0805 1.2617 1.4362 1.4506 1.7202 5.2613 5.2640 5.5333 5.5364 5.5794 5.6227 6.3494 6.3964 k = 0.1825 0.3763 1.0355 ( 6365 PWs) bands (ev): -17.1235 -17.1235 -13.2304 -13.2304 -12.5013 -12.5009 -10.3836 -10.3835 -10.0858 -10.0858 -8.3845 -8.3842 -8.2474 -8.2471 -6.1987 -6.1978 -5.0893 -5.0877 -3.8727 -3.8691 -3.4667 -3.4611 -3.4346 -3.4323 -2.6111 -2.6084 -1.4204 -1.3433 -0.7383 -0.6813 -0.2364 -0.2184 0.1611 0.2178 0.6642 0.9782 1.0005 1.0841 1.2707 1.4416 1.4674 1.7244 5.2610 5.2625 5.5250 5.5252 5.5976 5.6454 6.3394 6.3881 k = 0.1905 0.3485 1.0355 ( 6369 PWs) bands (ev): -17.1242 -17.1242 -13.2310 -13.2309 -12.5030 -12.5026 -10.3874 -10.3873 -10.0869 -10.0869 -8.3773 -8.3770 -8.2459 -8.2456 -6.1961 -6.1952 -5.0860 -5.0844 -3.8742 -3.8705 -3.4684 -3.4648 -3.4209 -3.4173 -2.6275 -2.6247 -1.4156 -1.3403 -0.7113 -0.6542 -0.2607 -0.2441 0.1673 0.2236 0.6671 0.9893 1.0106 1.0870 1.2798 1.4463 1.4830 1.7271 5.2606 5.2608 5.5156 5.5168 5.6180 5.6687 6.3286 6.3791 k = 0.1984 0.3207 1.0355 ( 6375 PWs) bands (ev): -17.1250 -17.1249 -13.2315 -13.2315 -12.5046 -12.5042 -10.3910 -10.3909 -10.0880 -10.0880 -8.3705 -8.3702 -8.2443 -8.2440 -6.1934 -6.1926 -5.0828 -5.0813 -3.8758 -3.8720 -3.4721 -3.4696 -3.4063 -3.4025 -2.6430 -2.6401 -1.4107 -1.3373 -0.6860 -0.6284 -0.2835 -0.2684 0.1739 0.2298 0.6709 0.9985 1.0197 1.0895 1.2891 1.4503 1.4973 1.7283 5.2592 5.2603 5.5080 5.5104 5.6389 5.6919 6.3170 6.3692 k = 0.2063 0.2929 1.0355 ( 6377 PWs) bands (ev): -17.1256 -17.1256 -13.2321 -13.2321 -12.5060 -12.5056 -10.3943 -10.3942 -10.0892 -10.0892 -8.3641 -8.3638 -8.2427 -8.2424 -6.1908 -6.1900 -5.0798 -5.0783 -3.8775 -3.8735 -3.4764 -3.4746 -3.3925 -3.3889 -2.6574 -2.6546 -1.4056 -1.3342 -0.6627 -0.6041 -0.3045 -0.2910 0.1808 0.2363 0.6755 1.0055 1.0278 1.0913 1.2980 1.4540 1.5099 1.7281 5.2580 5.2604 5.5025 5.5061 5.6597 5.7147 6.3046 6.3584 k = 0.2143 0.2651 1.0355 ( 6369 PWs) bands (ev): -17.1262 -17.1262 -13.2326 -13.2326 -12.5072 -12.5068 -10.3975 -10.3973 -10.0904 -10.0903 -8.3581 -8.3578 -8.2410 -8.2407 -6.1881 -6.1874 -5.0769 -5.0755 -3.8791 -3.8750 -3.4809 -3.4797 -3.3799 -3.3766 -2.6708 -2.6679 -1.4006 -1.3310 -0.6415 -0.5817 -0.3236 -0.3115 0.1880 0.2431 0.6808 1.0102 1.0348 1.0927 1.3063 1.4575 1.5207 1.7267 5.2571 5.2610 5.4991 5.5039 5.6800 5.7368 6.2914 6.3467 k = 0.2222 0.2373 1.0355 ( 6371 PWs) bands (ev): -17.1267 -17.1267 -13.2332 -13.2332 -12.5082 -12.5078 -10.4004 -10.4002 -10.0915 -10.0915 -8.3526 -8.3523 -8.2393 -8.2390 -6.1856 -6.1849 -5.0743 -5.0730 -3.8808 -3.8766 -3.4854 -3.4847 -3.3690 -3.3661 -2.6832 -2.6803 -1.3955 -1.3278 -0.6228 -0.5612 -0.3404 -0.3298 0.1954 0.2501 0.6868 1.0124 1.0407 1.0937 1.3137 1.4614 1.5294 1.7243 5.2569 5.2623 5.4978 5.5039 5.6995 5.7580 6.2773 6.3339 k = 0.2302 0.2095 1.0355 ( 6370 PWs) bands (ev): -17.1271 -17.1271 -13.2337 -13.2337 -12.5089 -12.5087 -10.4030 -10.4028 -10.0927 -10.0926 -8.3476 -8.3473 -8.2374 -8.2372 -6.1832 -6.1825 -5.0718 -5.0706 -3.8825 -3.8781 -3.4899 -3.4895 -3.3597 -3.3574 -2.6945 -2.6916 -1.3904 -1.3245 -0.6066 -0.5429 -0.3548 -0.3457 0.2029 0.2573 0.6933 1.0120 1.0455 1.0942 1.3197 1.4659 1.5357 1.7212 5.2573 5.2644 5.4986 5.5060 5.7181 5.7781 6.2624 6.3202 k = 0.2381 0.1817 1.0355 ( 6370 PWs) bands (ev): -17.1274 -17.1274 -13.2342 -13.2342 -12.5095 -12.5093 -10.4053 -10.4051 -10.0939 -10.0938 -8.3432 -8.3429 -8.2356 -8.2353 -6.1808 -6.1802 -5.0696 -5.0685 -3.8841 -3.8796 -3.4943 -3.4942 -3.3524 -3.3505 -2.7048 -2.7018 -1.3852 -1.3213 -0.5931 -0.5270 -0.3665 -0.3590 0.2104 0.2644 0.7001 1.0088 1.0491 1.0942 1.3240 1.4715 1.5395 1.7177 5.2585 5.2673 5.5012 5.5100 5.7356 5.7969 6.2467 6.3054 k = 0.2460 0.1540 1.0355 ( 6368 PWs) bands (ev): -17.1277 -17.1277 -13.2347 -13.2347 -12.5099 -12.5096 -10.4074 -10.4071 -10.0950 -10.0949 -8.3394 -8.3391 -8.2337 -8.2334 -6.1787 -6.1781 -5.0677 -5.0667 -3.8857 -3.8810 -3.4988 -3.4983 -3.3469 -3.3455 -2.7141 -2.7111 -1.3801 -1.3180 -0.5823 -0.5136 -0.3755 -0.3694 0.2178 0.2716 0.7069 1.0030 1.0516 1.0935 1.3264 1.4787 1.5406 1.7142 5.2605 5.2711 5.5056 5.5159 5.7518 5.8143 6.2302 6.2896 k = 0.2540 0.1262 1.0355 ( 6371 PWs) bands (ev): -17.1279 -17.1278 -13.2351 -13.2351 -12.5100 -12.5098 -10.4092 -10.4089 -10.0961 -10.0960 -8.3362 -8.3359 -8.2318 -8.2315 -6.1767 -6.1762 -5.0660 -5.0652 -3.8871 -3.8823 -3.5031 -3.5022 -3.3434 -3.3425 -2.7223 -2.7193 -1.3751 -1.3148 -0.5743 -0.5028 -0.3817 -0.3770 0.2251 0.2786 0.7135 0.9947 1.0530 1.0919 1.3265 1.4878 1.5388 1.7111 5.2632 5.2758 5.5116 5.5233 5.7667 5.8301 6.2130 6.2729 k = 0.2619 0.0984 1.0355 ( 6378 PWs) bands (ev): -17.1279 -17.1279 -13.2356 -13.2356 -12.5099 -12.5097 -10.4106 -10.4103 -10.0972 -10.0971 -8.3337 -8.3334 -8.2298 -8.2296 -6.1749 -6.1744 -5.0647 -5.0639 -3.8885 -3.8835 -3.5071 -3.5059 -3.3418 -3.3415 -2.7296 -2.7266 -1.3700 -1.3116 -0.5691 -0.4945 -0.3850 -0.3815 0.2320 0.2853 0.7196 0.9841 1.0532 1.0892 1.3243 1.4990 1.5343 1.7088 5.2668 5.2812 5.5190 5.5321 5.7801 5.8442 6.1951 6.2553 k = 0.2698 0.0706 1.0355 ( 6386 PWs) bands (ev): -17.1279 -17.1279 -13.2360 -13.2360 -12.5096 -12.5094 -10.4118 -10.4114 -10.0983 -10.0982 -8.3318 -8.3315 -8.2278 -8.2276 -6.1733 -6.1728 -5.0636 -5.0629 -3.8898 -3.8846 -3.5109 -3.5093 -3.3424 -3.3422 -2.7359 -2.7328 -1.3651 -1.3084 -0.5667 -0.4886 -0.3855 -0.3830 0.2385 0.2916 0.7249 0.9715 1.0523 1.0852 1.3198 1.5123 1.5269 1.7075 5.2711 5.2875 5.5277 5.5422 5.7920 5.8567 6.1767 6.2370 k = 0.2778 0.0428 1.0355 ( 6390 PWs) bands (ev): -17.1278 -17.1278 -13.2363 -13.2363 -12.5090 -12.5089 -10.4126 -10.4123 -10.0993 -10.0992 -8.3305 -8.3303 -8.2258 -8.2256 -6.1719 -6.1715 -5.0628 -5.0623 -3.8909 -3.8856 -3.5145 -3.5125 -3.3452 -3.3445 -2.7412 -2.7381 -1.3602 -1.3053 -0.5668 -0.4853 -0.3834 -0.3814 0.2445 0.2974 0.7290 0.9572 1.0502 1.0798 1.3132 1.5170 1.5278 1.7075 5.2761 5.2945 5.5375 5.5532 5.8022 5.8672 6.1578 6.2179 k = 0.2857 0.0150 1.0355 ( 6384 PWs) bands (ev): -17.1276 -17.1276 -13.2367 -13.2367 -12.5082 -12.5081 -10.4132 -10.4128 -10.1003 -10.1002 -8.3299 -8.3297 -8.2237 -8.2235 -6.1707 -6.1703 -5.0624 -5.0619 -3.8919 -3.8865 -3.5177 -3.5154 -3.3499 -3.3487 -2.7455 -2.7423 -1.3554 -1.3023 -0.5695 -0.4844 -0.3785 -0.3768 0.2498 0.3026 0.7318 0.9413 1.0470 1.0727 1.3047 1.5046 1.5453 1.7091 5.2817 5.3020 5.5482 5.5650 5.8109 5.8760 6.1388 6.1985 k = 0.2937-0.0128 1.0355 ( 6378 PWs) bands (ev): -17.1274 -17.1274 -13.2370 -13.2370 -12.5072 -12.5071 -10.4134 -10.4130 -10.1012 -10.1011 -8.3300 -8.3298 -8.2217 -8.2215 -6.1698 -6.1694 -5.0623 -5.0619 -3.8929 -3.8873 -3.5206 -3.5180 -3.3564 -3.3548 -2.7486 -2.7454 -1.3506 -1.2994 -0.5745 -0.4861 -0.3709 -0.3693 0.2543 0.3070 0.7332 0.9243 1.0424 1.0641 1.2945 1.4902 1.5646 1.7124 5.2877 5.3100 5.5597 5.5775 5.8179 5.8828 6.1196 6.1787 k = 0.3016-0.0406 1.0355 ( 6366 PWs) bands (ev): -17.1270 -17.1270 -13.2372 -13.2372 -12.5060 -12.5059 -10.4134 -10.4129 -10.1021 -10.1019 -8.3307 -8.3305 -8.2196 -8.2194 -6.1690 -6.1687 -5.0624 -5.0622 -3.8937 -3.8880 -3.5232 -3.5203 -3.3647 -3.3626 -2.7506 -2.7474 -1.3461 -1.2967 -0.5817 -0.4904 -0.3605 -0.3589 0.2578 0.3105 0.7329 0.9062 1.0366 1.0540 1.2828 1.4739 1.5854 1.7176 5.2942 5.3182 5.5719 5.5904 5.8233 5.8878 6.1006 6.1587 k = 0.3095-0.0684 1.0355 ( 6372 PWs) bands (ev): -17.1266 -17.1266 -13.2374 -13.2374 -12.5045 -12.5045 -10.4130 -10.4126 -10.1028 -10.1027 -8.3322 -8.3319 -8.2175 -8.2174 -6.1685 -6.1683 -5.0630 -5.0629 -3.8945 -3.8887 -3.5255 -3.5223 -3.3746 -3.3722 -2.7513 -2.7481 -1.3416 -1.2941 -0.5909 -0.4973 -0.3474 -0.3459 0.2603 0.3128 0.7311 0.8874 1.0294 1.0424 1.2700 1.4560 1.6075 1.7246 5.3008 5.3266 5.5847 5.6036 5.8270 5.8909 6.0818 6.1389 k = 0.3175-0.0962 1.0355 ( 6380 PWs) bands (ev): -17.1261 -17.1260 -13.2376 -13.2376 -12.5029 -12.5029 -10.4124 -10.4120 -10.1036 -10.1034 -8.3342 -8.3340 -8.2155 -8.2153 -6.1682 -6.1680 -5.0638 -5.0638 -3.8953 -3.8894 -3.5275 -3.5241 -3.3862 -3.3834 -2.7507 -2.7475 -1.3373 -1.2916 -0.6019 -0.5067 -0.3319 -0.3305 0.2615 0.3139 0.7277 0.8681 1.0209 1.0296 1.2563 1.4369 1.6306 1.7335 5.3075 5.3350 5.5979 5.6170 5.8293 5.8921 6.0634 6.1193 k = 0.3254-0.1240 1.0355 ( 6368 PWs) bands (ev): -17.1255 -17.1255 -13.2377 -13.2377 -12.5011 -12.5011 -10.4116 -10.4111 -10.1042 -10.1041 -8.3369 -8.3367 -8.2134 -8.2133 -6.1681 -6.1680 -5.0650 -5.0650 -3.8961 -3.8901 -3.5292 -3.5255 -3.3993 -3.3962 -2.7486 -2.7454 -1.3332 -1.2894 -0.6145 -0.5184 -0.3139 -0.3128 0.2614 0.3137 0.7229 0.8483 1.0110 1.0158 1.2421 1.4167 1.6543 1.7442 5.3143 5.3433 5.6115 5.6305 5.8301 5.8916 6.0456 6.1001 k = 0.3333-0.1518 1.0355 ( 6370 PWs) bands (ev): -17.1248 -17.1248 -13.2378 -13.2378 -12.4991 -12.4991 -10.4105 -10.4100 -10.1048 -10.1046 -8.3402 -8.3400 -8.2114 -8.2112 -6.1682 -6.1681 -5.0666 -5.0664 -3.8969 -3.8909 -3.5305 -3.5267 -3.4138 -3.4103 -2.7450 -2.7418 -1.3292 -1.2873 -0.6285 -0.5323 -0.2940 -0.2930 0.2598 0.3119 0.7169 0.8283 1.0000 1.0011 1.2274 1.3958 1.6786 1.7565 5.3209 5.3513 5.6255 5.6440 5.8295 5.8893 6.0285 6.0815 k = 0.3413-0.1796 1.0355 ( 6368 PWs) bands (ev): -17.1241 -17.1241 -13.2378 -13.2378 -12.4970 -12.4969 -10.4091 -10.4086 -10.1052 -10.1051 -8.3441 -8.3440 -8.2093 -8.2092 -6.1685 -6.1684 -5.0684 -5.0682 -3.8978 -3.8918 -3.5316 -3.5276 -3.4295 -3.4258 -2.7398 -2.7367 -1.3254 -1.2855 -0.6437 -0.5480 -0.2722 -0.2716 0.2567 0.3086 0.7097 0.8082 0.9858 0.9878 1.2127 1.3744 1.7030 1.7702 5.3272 5.3589 5.6397 5.6573 5.8277 5.8855 6.0122 6.0637 k = 0.3492-0.2074 1.0355 ( 6361 PWs) bands (ev): -17.1233 -17.1233 -13.2378 -13.2378 -12.4947 -12.4946 -10.4076 -10.4071 -10.1056 -10.1055 -8.3486 -8.3484 -8.2073 -8.2072 -6.1689 -6.1689 -5.0706 -5.0702 -3.8988 -3.8928 -3.5325 -3.5284 -3.4462 -3.4423 -2.7331 -2.7299 -1.3218 -1.2839 -0.6599 -0.5655 -0.2490 -0.2486 0.2521 0.3037 0.7017 0.7879 0.9703 0.9748 1.1981 1.3527 1.7273 1.7851 5.3333 5.3661 5.6541 5.6704 5.8248 5.8800 5.9969 6.0467 k = 0.3571-0.2352 1.0355 ( 6362 PWs) bands (ev): -17.1225 -17.1225 -13.2377 -13.2377 -12.4923 -12.4922 -10.4059 -10.4054 -10.1059 -10.1058 -8.3535 -8.3534 -8.2054 -8.2053 -6.1695 -6.1695 -5.0729 -5.0725 -3.8999 -3.8939 -3.5333 -3.5290 -3.4637 -3.4596 -2.7247 -2.7216 -1.3184 -1.2825 -0.6769 -0.5844 -0.2246 -0.2245 0.2459 0.2971 0.6928 0.7676 0.9547 0.9610 1.1837 1.3310 1.7514 1.8008 5.3389 5.3726 5.6686 5.6830 5.8212 5.8732 5.9826 6.0308 k = 0.3651-0.2629 1.0355 ( 6362 PWs) bands (ev): -17.1217 -17.1217 -13.2376 -13.2375 -12.4898 -12.4897 -10.4040 -10.4035 -10.1061 -10.1059 -8.3590 -8.3589 -8.2034 -8.2033 -6.1702 -6.1701 -5.0756 -5.0751 -3.9012 -3.8953 -3.5341 -3.5299 -3.4816 -3.4773 -2.7147 -2.7117 -1.3153 -1.2815 -0.6945 -0.6045 -0.1995 -0.1993 0.2383 0.2890 0.6833 0.7473 0.9395 0.9468 1.1698 1.3095 1.7750 1.8172 5.3442 5.3786 5.6832 5.6950 5.8170 5.8651 5.9694 6.0159 k = 0.3730-0.2907 1.0355 ( 6352 PWs) bands (ev): -17.1208 -17.1208 -13.2374 -13.2373 -12.4872 -12.4871 -10.4020 -10.4014 -10.1061 -10.1060 -8.3649 -8.3648 -8.2015 -8.2015 -6.1710 -6.1709 -5.0784 -5.0778 -3.9027 -3.8969 -3.5358 -3.5316 -3.4991 -3.4946 -2.7031 -2.7002 -1.3123 -1.2807 -0.7124 -0.6256 -0.1739 -0.1735 0.2295 0.2795 0.6732 0.7271 0.9247 0.9323 1.1564 1.2883 1.7980 1.8338 5.3489 5.3839 5.6978 5.7059 5.8127 5.8558 5.9574 6.0021 k = 0.3810-0.3185 1.0355 ( 6354 PWs) bands (ev): -17.1199 -17.1199 -13.2371 -13.2371 -12.4846 -12.4844 -10.3998 -10.3993 -10.1061 -10.1059 -8.3712 -8.3711 -8.1997 -8.1996 -6.1718 -6.1717 -5.0814 -5.0808 -3.9044 -3.8987 -3.5405 -3.5365 -3.5136 -3.5089 -2.6901 -2.6872 -1.3096 -1.2802 -0.7305 -0.6474 -0.1482 -0.1475 0.2196 0.2687 0.6626 0.7069 0.9104 0.9178 1.1436 1.2676 1.8201 1.8506 5.3533 5.3885 5.7122 5.7152 5.8088 5.8456 5.9468 5.9896 k = 0.3889-0.3463 1.0355 ( 6358 PWs) bands (ev): -17.1189 -17.1189 -13.2368 -13.2368 -12.4819 -12.4818 -10.3976 -10.3971 -10.1059 -10.1058 -8.3779 -8.3778 -8.1979 -8.1979 -6.1727 -6.1725 -5.0847 -5.0840 -3.9064 -3.9008 -3.5523 -3.5482 -3.5211 -3.5164 -2.6756 -2.6729 -1.3071 -1.2800 -0.7486 -0.6697 -0.1227 -0.1218 0.2090 0.2569 0.6516 0.6870 0.8969 0.9033 1.1316 1.2475 1.8414 1.8672 5.3571 5.3924 5.7222 5.7262 5.8060 5.8346 5.9377 5.9783 k = 0.3968-0.3741 1.0355 ( 6358 PWs) bands (ev): -17.1180 -17.1180 -13.2364 -13.2364 -12.4792 -12.4790 -10.3953 -10.3948 -10.1056 -10.1055 -8.3849 -8.3848 -8.1962 -8.1962 -6.1736 -6.1734 -5.0880 -5.0874 -3.9086 -3.9032 -3.5693 -3.5652 -3.5231 -3.5186 -2.6599 -2.6573 -1.3048 -1.2800 -0.7665 -0.6923 -0.0978 -0.0966 0.1980 0.2446 0.6401 0.6673 0.8840 0.8892 1.1205 1.2281 1.8616 1.8834 5.3605 5.3955 5.7262 5.7395 5.8050 5.8231 5.9302 5.9686 k = 0.4048-0.4019 1.0355 ( 6356 PWs) bands (ev): -17.1171 -17.1171 -13.2360 -13.2360 -12.4765 -12.4763 -10.3930 -10.3925 -10.1052 -10.1051 -8.3922 -8.3921 -8.1945 -8.1945 -6.1745 -6.1743 -5.0915 -5.0909 -3.9110 -3.9059 -3.5880 -3.5839 -3.5230 -3.5187 -2.6430 -2.6405 -1.3028 -1.2804 -0.7841 -0.7150 -0.0742 -0.0726 0.1874 0.2321 0.6282 0.6481 0.8717 0.8756 1.1102 1.2096 1.8807 1.8990 5.3634 5.3980 5.7268 5.7516 5.8056 5.8115 5.9249 5.9604 k = 0.4127-0.4297 1.0355 ( 6371 PWs) bands (ev): -17.1161 -17.1161 -13.2355 -13.2355 -12.4738 -12.4736 -10.3906 -10.3902 -10.1047 -10.1045 -8.3997 -8.3996 -8.1930 -8.1930 -6.1754 -6.1752 -5.0952 -5.0945 -3.9138 -3.9089 -3.6070 -3.6031 -3.5221 -3.5179 -2.6251 -2.6228 -1.3010 -1.2810 -0.8012 -0.7375 -0.0524 -0.0503 0.1777 0.2201 0.6160 0.6294 0.8599 0.8624 1.1009 1.1919 1.8986 1.9139 5.3659 5.3997 5.7245 5.7616 5.8006 5.8074 5.9219 5.9540 k = 0.4206-0.4575 1.0355 ( 6373 PWs) bands (ev): -17.1152 -17.1152 -13.2350 -13.2350 -12.4712 -12.4710 -10.3883 -10.3879 -10.1040 -10.1039 -8.4073 -8.4072 -8.1915 -8.1915 -6.1762 -6.1760 -5.0989 -5.0982 -3.9167 -3.9122 -3.6258 -3.6220 -3.5206 -3.5167 -2.6063 -2.6041 -1.2995 -1.2818 -0.8176 -0.7596 -0.0333 -0.0304 0.1699 0.2092 0.6036 0.6115 0.8485 0.8497 1.0925 1.1751 1.9153 1.9280 5.3680 5.4006 5.7200 5.7669 5.7926 5.8092 5.9215 5.9496 k = 0.4286-0.4853 1.0355 ( 6381 PWs) bands (ev): -17.1144 -17.1143 -13.2344 -13.2344 -12.4686 -12.4685 -10.3861 -10.3857 -10.1032 -10.1031 -8.4151 -8.4150 -8.1901 -8.1901 -6.1770 -6.1768 -5.1026 -5.1020 -3.9200 -3.9157 -3.6441 -3.6405 -3.5189 -3.5152 -2.5868 -2.5848 -1.2982 -1.2829 -0.8333 -0.7811 -0.0179 -0.0137 0.1650 0.2005 0.5910 0.5945 0.8375 0.8376 1.0852 1.1592 1.9307 1.9412 5.3696 5.4007 5.7142 5.7633 5.7917 5.8102 5.9240 5.9474 k = 0.4365-0.5131 1.0355 ( 6372 PWs) bands (ev): -17.1135 -17.1135 -13.2337 -13.2337 -12.4661 -12.4660 -10.3839 -10.3835 -10.1022 -10.1021 -8.4229 -8.4228 -8.1888 -8.1888 -6.1777 -6.1774 -5.1064 -5.1058 -3.9234 -3.9196 -3.6616 -3.6582 -3.5169 -3.5134 -2.5668 -2.5650 -1.2971 -1.2841 -0.8481 -0.8019 -0.0070 -0.0011 0.1639 0.1947 0.5784 0.5784 0.8260 0.8267 1.0788 1.1443 1.9447 1.9534 5.3709 5.4000 5.7080 5.7537 5.7947 5.8098 5.9289 5.9477 k = 0.4444-0.5409 1.0355 ( 6369 PWs) bands (ev): -17.1127 -17.1127 -13.2330 -13.2330 -12.4638 -12.4637 -10.3818 -10.3815 -10.1011 -10.1010 -8.4307 -8.4306 -8.1876 -8.1876 -6.1783 -6.1781 -5.1102 -5.1096 -3.9271 -3.9236 -3.6783 -3.6751 -3.5147 -3.5116 -2.5464 -2.5448 -1.2962 -1.2855 -0.8618 -0.8218 -0.0011 0.0067 0.1671 0.1927 0.5634 0.5660 0.8150 0.8161 1.0733 1.1304 1.9575 1.9644 5.3717 5.3985 5.7017 5.7425 5.7973 5.8081 5.9358 5.9502 k = 0.4524-0.5687 1.0355 ( 6373 PWs) bands (ev): -17.1119 -17.1119 -13.2323 -13.2322 -12.4616 -12.4615 -10.3799 -10.3796 -10.0999 -10.0998 -8.4384 -8.4384 -8.1865 -8.1865 -6.1789 -6.1786 -5.1139 -5.1134 -3.9309 -3.9279 -3.6938 -3.6910 -3.5124 -3.5096 -2.5259 -2.5244 -1.2955 -1.2869 -0.8745 -0.8406 0.0004 0.0096 0.1742 0.1946 0.5496 0.5538 0.8043 0.8057 1.0688 1.1174 1.9688 1.9744 5.3721 5.3961 5.6957 5.7313 5.7984 5.8055 5.9441 5.9546 k = 0.4603-0.5965 1.0355 ( 6368 PWs) bands (ev): -17.1112 -17.1112 -13.2315 -13.2314 -12.4595 -12.4594 -10.3781 -10.3779 -10.0985 -10.0984 -8.4460 -8.4460 -8.1855 -8.1855 -6.1793 -6.1791 -5.1176 -5.1172 -3.9350 -3.9324 -3.7082 -3.7058 -3.5099 -3.5076 -2.5053 -2.5040 -1.2950 -1.2884 -0.8860 -0.8582 -0.0015 0.0084 0.1841 0.1998 0.5370 0.5420 0.7942 0.7956 1.0651 1.1054 1.9789 1.9832 5.3720 5.3928 5.6905 5.7205 5.7980 5.8023 5.9530 5.9604 k = 0.4683-0.6243 1.0355 ( 6379 PWs) bands (ev): -17.1106 -17.1106 -13.2306 -13.2306 -12.4577 -12.4576 -10.3765 -10.3763 -10.0970 -10.0969 -8.4535 -8.4535 -8.1846 -8.1846 -6.1797 -6.1795 -5.1212 -5.1209 -3.9392 -3.9371 -3.7213 -3.7193 -3.5074 -3.5055 -2.4849 -2.4839 -1.2947 -1.2898 -0.8963 -0.8744 -0.0054 0.0040 0.1956 0.2072 0.5257 0.5308 0.7844 0.7857 1.0622 1.0942 1.9876 1.9907 5.3714 5.3886 5.6861 5.7103 5.7965 5.7988 5.9621 5.9672 k = 0.4762-0.6521 1.0355 ( 6374 PWs) bands (ev): -17.1100 -17.1100 -13.2297 -13.2297 -12.4560 -12.4559 -10.3752 -10.3750 -10.0953 -10.0953 -8.4608 -8.4608 -8.1838 -8.1838 -6.1799 -6.1798 -5.1248 -5.1245 -3.9435 -3.9419 -3.7329 -3.7314 -3.5049 -3.5034 -2.4648 -2.4641 -1.2944 -1.2912 -0.9053 -0.8893 -0.0103 -0.0022 0.2075 0.2157 0.5158 0.5203 0.7751 0.7761 1.0601 1.0839 1.9949 1.9971 5.3704 5.3836 5.6828 5.7010 5.7941 5.7952 5.9709 5.9742 k = 0.4841-0.6798 1.0355 ( 6370 PWs) bands (ev): -17.1096 -17.1095 -13.2288 -13.2288 -12.4545 -12.4545 -10.3740 -10.3739 -10.0935 -10.0935 -8.4678 -8.4678 -8.1832 -8.1832 -6.1801 -6.1800 -5.1282 -5.1280 -3.9479 -3.9468 -3.7431 -3.7421 -3.5023 -3.5013 -2.4453 -2.4448 -1.2943 -1.2924 -0.9130 -0.9026 -0.0152 -0.0093 0.2192 0.2244 0.5072 0.5106 0.7663 0.7670 1.0587 1.0744 2.0010 2.0023 5.3688 5.3777 5.6805 5.6927 5.7914 5.7916 5.9791 5.9810 k = 0.4921-0.7076 1.0355 ( 6368 PWs) bands (ev): -17.1091 -17.1091 -13.2278 -13.2278 -12.4533 -12.4532 -10.3732 -10.3731 -10.0916 -10.0916 -8.4745 -8.4744 -8.1826 -8.1826 -6.1801 -6.1801 -5.1314 -5.1313 -3.9523 -3.9518 -3.7518 -3.7513 -3.4997 -3.4992 -2.4265 -2.4263 -1.2942 -1.2933 -0.9194 -0.9143 -0.0195 -0.0164 0.2298 0.2323 0.4999 0.5019 0.7580 0.7583 1.0579 1.0658 2.0057 2.0063 5.3666 5.3711 5.6794 5.6855 5.7884 5.7884 5.9865 5.9873 k = 0.5000-0.7354 1.0355 ( 6378 PWs) bands (ev): -17.1088 -17.1088 -13.2269 -13.2269 -12.4523 -12.4523 -10.3726 -10.3726 -10.0895 -10.0895 -8.4808 -8.4808 -8.1822 -8.1822 -6.1801 -6.1801 -5.1345 -5.1345 -3.9568 -3.9568 -3.7589 -3.7589 -3.4972 -3.4972 -2.4086 -2.4086 -1.2941 -1.2941 -0.9244 -0.9244 -0.0230 -0.0229 0.2391 0.2391 0.4941 0.4941 0.7503 0.7503 1.0578 1.0578 2.0092 2.0092 5.3638 5.3638 5.6794 5.6794 5.7854 5.7854 5.9928 5.9928 k = 0.5000-0.7354 1.0355 ( 6378 PWs) bands (ev): -17.1088 -17.1088 -13.2269 -13.2269 -12.4523 -12.4523 -10.3726 -10.3726 -10.0895 -10.0895 -8.4808 -8.4808 -8.1822 -8.1822 -6.1801 -6.1801 -5.1345 -5.1345 -3.9568 -3.9568 -3.7589 -3.7589 -3.4972 -3.4972 -2.4086 -2.4086 -1.2941 -1.2941 -0.9244 -0.9244 -0.0230 -0.0229 0.2391 0.2391 0.4941 0.4941 0.7503 0.7503 1.0578 1.0578 2.0092 2.0092 5.3638 5.3638 5.6794 5.6794 5.7854 5.7854 5.9928 5.9928 k = 0.5000-0.7551 1.0154 ( 6370 PWs) bands (ev): -17.1085 -17.1085 -13.2255 -13.2255 -12.4511 -12.4511 -10.3720 -10.3720 -10.0866 -10.0866 -8.4892 -8.4892 -8.1817 -8.1817 -6.1799 -6.1799 -5.1386 -5.1386 -3.9633 -3.9633 -3.7677 -3.7677 -3.4940 -3.4940 -2.3847 -2.3846 -1.2945 -1.2945 -0.9335 -0.9335 -0.0294 -0.0293 0.2493 0.2493 0.4856 0.4856 0.7398 0.7398 1.0528 1.0528 2.0125 2.0125 5.3564 5.3564 5.6761 5.6761 5.7816 5.7816 6.0000 6.0000 k = 0.5000-0.7747 0.9954 ( 6366 PWs) bands (ev): -17.1081 -17.1081 -13.2242 -13.2242 -12.4501 -12.4501 -10.3714 -10.3714 -10.0839 -10.0839 -8.4967 -8.4967 -8.1814 -8.1814 -6.1797 -6.1797 -5.1424 -5.1424 -3.9693 -3.9693 -3.7755 -3.7755 -3.4910 -3.4910 -2.3629 -2.3628 -1.2950 -1.2950 -0.9414 -0.9414 -0.0354 -0.0354 0.2587 0.2587 0.4782 0.4782 0.7301 0.7301 1.0484 1.0484 2.0155 2.0155 5.3498 5.3498 5.6733 5.6733 5.7783 5.7783 6.0064 6.0064 k = 0.5000-0.7943 0.9754 ( 6370 PWs) bands (ev): -17.1079 -17.1079 -13.2231 -13.2231 -12.4492 -12.4492 -10.3710 -10.3710 -10.0816 -10.0816 -8.5033 -8.5033 -8.1812 -8.1812 -6.1795 -6.1795 -5.1456 -5.1456 -3.9745 -3.9745 -3.7820 -3.7820 -3.4884 -3.4884 -2.3436 -2.3436 -1.2956 -1.2956 -0.9481 -0.9481 -0.0408 -0.0408 0.2670 0.2670 0.4718 0.4718 0.7215 0.7215 1.0446 1.0446 2.0180 2.0180 5.3440 5.3440 5.6710 5.6710 5.7756 5.7757 6.0119 6.0119 k = 0.5000-0.8140 0.9554 ( 6354 PWs) bands (ev): -17.1077 -17.1077 -13.2222 -13.2222 -12.4486 -12.4486 -10.3706 -10.3706 -10.0796 -10.0796 -8.5088 -8.5088 -8.1810 -8.1810 -6.1792 -6.1792 -5.1484 -5.1484 -3.9789 -3.9789 -3.7874 -3.7874 -3.4862 -3.4862 -2.3274 -2.3274 -1.2962 -1.2962 -0.9535 -0.9535 -0.0455 -0.0454 0.2740 0.2740 0.4665 0.4665 0.7141 0.7141 1.0414 1.0414 2.0200 2.0200 5.3392 5.3392 5.6691 5.6692 5.7735 5.7735 6.0165 6.0165 k = 0.5000-0.8336 0.9354 ( 6348 PWs) bands (ev): -17.1075 -17.1075 -13.2214 -13.2214 -12.4480 -12.4480 -10.3702 -10.3702 -10.0780 -10.0780 -8.5131 -8.5131 -8.1809 -8.1809 -6.1789 -6.1789 -5.1505 -5.1505 -3.9824 -3.9824 -3.7916 -3.7916 -3.4844 -3.4844 -2.3144 -2.3144 -1.2967 -1.2967 -0.9577 -0.9577 -0.0492 -0.0492 0.2797 0.2797 0.4624 0.4624 0.7082 0.7082 1.0389 1.0389 2.0216 2.0216 5.3353 5.3353 5.6677 5.6678 5.7719 5.7719 6.0201 6.0201 k = 0.5000-0.8532 0.9154 ( 6360 PWs) bands (ev): -17.1074 -17.1074 -13.2209 -13.2209 -12.4477 -12.4477 -10.3700 -10.3700 -10.0768 -10.0768 -8.5163 -8.5163 -8.1809 -8.1809 -6.1788 -6.1788 -5.1521 -5.1521 -3.9850 -3.9850 -3.7946 -3.7946 -3.4831 -3.4831 -2.3049 -2.3049 -1.2971 -1.2971 -0.9608 -0.9608 -0.0519 -0.0519 0.2838 0.2838 0.4594 0.4594 0.7039 0.7039 1.0370 1.0370 2.0228 2.0228 5.3325 5.3325 5.6668 5.6668 5.7707 5.7707 6.0226 6.0226 k = 0.5000-0.8729 0.8953 ( 6364 PWs) bands (ev): -17.1073 -17.1073 -13.2205 -13.2205 -12.4475 -12.4475 -10.3699 -10.3699 -10.0761 -10.0761 -8.5182 -8.5182 -8.1809 -8.1809 -6.1786 -6.1786 -5.1530 -5.1530 -3.9865 -3.9865 -3.7964 -3.7964 -3.4823 -3.4823 -2.2991 -2.2991 -1.2973 -1.2973 -0.9626 -0.9626 -0.0536 -0.0536 0.2862 0.2862 0.4575 0.4575 0.7012 0.7012 1.0359 1.0359 2.0234 2.0234 5.3308 5.3308 5.6662 5.6662 5.7701 5.7701 6.0242 6.0242 k = 0.5000-0.8925 0.8753 ( 6358 PWs) bands (ev): -17.1073 -17.1073 -13.2204 -13.2204 -12.4474 -12.4474 -10.3698 -10.3698 -10.0759 -10.0759 -8.5188 -8.5188 -8.1809 -8.1809 -6.1786 -6.1786 -5.1534 -5.1534 -3.9870 -3.9870 -3.7970 -3.7970 -3.4820 -3.4820 -2.2972 -2.2972 -1.2974 -1.2974 -0.9632 -0.9632 -0.0541 -0.0541 0.2871 0.2871 0.4569 0.4569 0.7003 0.7003 1.0355 1.0355 2.0237 2.0237 5.3303 5.3303 5.6660 5.6660 5.7698 5.7698 6.0247 6.0247 k = 1.0000-0.7497 0.7353 ( 6376 PWs) bands (ev): -17.1071 -17.1071 -13.2204 -13.2204 -12.4618 -12.4618 -10.3064 -10.3064 -10.0706 -10.0706 -8.5270 -8.5270 -8.2662 -8.2662 -6.2303 -6.2303 -5.1493 -5.1493 -3.8692 -3.8692 -3.7807 -3.7807 -3.3732 -3.3732 -2.2500 -2.2500 -1.4344 -1.4344 -1.2052 -1.2052 0.0794 0.0794 0.2872 0.2872 0.6637 0.6637 0.8858 0.8858 1.1669 1.1669 1.3894 1.3894 5.0657 5.0657 5.4614 5.4614 5.9337 5.9337 6.4438 6.4438 k = 1.0000-0.7300 0.7554 ( 6372 PWs) bands (ev): -17.1071 -17.1071 -13.2205 -13.2205 -12.4618 -12.4618 -10.3067 -10.3067 -10.0708 -10.0708 -8.5264 -8.5264 -8.2660 -8.2660 -6.2303 -6.2303 -5.1490 -5.1490 -3.8691 -3.8691 -3.7802 -3.7802 -3.3736 -3.3736 -2.2520 -2.2520 -1.4338 -1.4338 -1.2045 -1.2045 0.0794 0.0794 0.2862 0.2862 0.6649 0.6649 0.8864 0.8864 1.1673 1.1673 1.3894 1.3894 5.0672 5.0672 5.4619 5.4619 5.9328 5.9328 6.4433 6.4433 k = 0.0000 1.0156 1.0355 ( 6372 PWs) bands (ev): -17.1071 -17.1071 -13.2205 -13.2205 -12.4618 -12.4618 -10.3067 -10.3067 -10.0708 -10.0708 -8.5264 -8.5264 -8.2660 -8.2660 -6.2303 -6.2303 -5.1490 -5.1490 -3.8691 -3.8691 -3.7802 -3.7802 -3.3736 -3.3736 -2.2520 -2.2520 -1.4338 -1.4338 -1.2045 -1.2045 0.0794 0.0794 0.2862 0.2862 0.6649 0.6649 0.8864 0.8864 1.1673 1.1673 1.3894 1.3894 5.0672 5.0672 5.4619 5.4619 5.9328 5.9328 6.4433 6.4433 k = 0.0250 1.0158 1.0215 ( 6370 PWs) bands (ev): -17.1071 -17.1071 -13.2206 -13.2206 -12.4618 -12.4618 -10.3074 -10.3074 -10.0710 -10.0709 -8.5258 -8.5258 -8.2652 -8.2652 -6.2299 -6.2299 -5.1489 -5.1487 -3.8706 -3.8689 -3.7799 -3.7797 -3.3747 -3.3743 -2.2542 -2.2536 -1.4362 -1.4290 -1.2065 -1.1988 0.0628 0.0981 0.2854 0.2854 0.6526 0.6752 0.8620 0.9070 1.1214 1.2089 1.3748 1.4162 5.0666 5.0740 5.4614 5.4615 5.9326 5.9327 6.4378 6.4430 k = 0.0500 1.0161 1.0074 ( 6369 PWs) bands (ev): -17.1072 -17.1072 -13.2207 -13.2207 -12.4616 -12.4615 -10.3090 -10.3089 -10.0712 -10.0712 -8.5250 -8.5249 -8.2634 -8.2634 -6.2290 -6.2289 -5.1488 -5.1484 -3.8737 -3.8702 -3.7796 -3.7794 -3.3772 -3.3764 -2.2576 -2.2563 -1.4367 -1.4226 -1.2057 -1.1906 0.0484 0.1187 0.2843 0.2843 0.6362 0.6820 0.8354 0.9200 1.0782 1.2345 1.3814 1.4503 5.0704 5.0850 5.4592 5.4596 5.9335 5.9338 6.4270 6.4374 k = 0.0750 1.0164 0.9934 ( 6371 PWs) bands (ev): -17.1072 -17.1072 -13.2209 -13.2209 -12.4612 -12.4611 -10.3113 -10.3112 -10.0716 -10.0715 -8.5240 -8.5239 -8.2605 -8.2605 -6.2274 -6.2273 -5.1486 -5.1481 -3.8780 -3.8730 -3.7795 -3.7792 -3.3808 -3.3797 -2.2619 -2.2602 -1.4353 -1.4147 -1.2022 -1.1802 0.0364 0.1410 0.2829 0.2829 0.6146 0.6847 0.8089 0.9217 1.0443 1.2389 1.4129 1.4893 5.0784 5.1002 5.4556 5.4561 5.9355 5.9359 6.4112 6.4267 k = 0.1000 1.0166 0.9794 ( 6370 PWs) bands (ev): -17.1073 -17.1073 -13.2210 -13.2210 -12.4607 -12.4606 -10.3144 -10.3143 -10.0720 -10.0719 -8.5227 -8.5226 -8.2566 -8.2566 -6.2253 -6.2251 -5.1484 -5.1477 -3.8836 -3.8772 -3.7793 -3.7789 -3.3856 -3.3842 -2.2672 -2.2651 -1.4322 -1.4057 -1.1959 -1.1676 0.0268 0.1647 0.2813 0.2813 0.5873 0.6820 0.7845 0.9096 1.0252 1.2310 1.4592 1.5317 5.0906 5.1194 5.4506 5.4513 5.9385 5.9390 6.3904 6.4111 k = 0.1250 1.0169 0.9654 ( 6361 PWs) bands (ev): -17.1073 -17.1073 -13.2212 -13.2212 -12.4600 -12.4600 -10.3182 -10.3181 -10.0725 -10.0724 -8.5212 -8.5210 -8.2519 -8.2519 -6.2226 -6.2225 -5.1481 -5.1473 -3.8903 -3.8826 -3.7792 -3.7788 -3.3915 -3.3898 -2.2733 -2.2710 -1.4273 -1.3955 -1.1870 -1.1532 0.0192 0.1892 0.2793 0.2794 0.5542 0.6722 0.7636 0.8894 1.0183 1.2187 1.5113 1.5763 5.1069 5.1425 5.4445 5.4454 5.9422 5.9428 6.3649 6.3909 k = 0.1500 1.0172 0.9514 ( 6356 PWs) bands (ev): -17.1074 -17.1074 -13.2215 -13.2215 -12.4593 -12.4592 -10.3225 -10.3223 -10.0731 -10.0730 -8.5194 -8.5193 -8.2465 -8.2465 -6.2195 -6.2193 -5.1479 -5.1469 -3.8977 -3.8889 -3.7790 -3.7785 -3.3983 -3.3964 -2.2802 -2.2778 -1.4208 -1.3847 -1.1755 -1.1373 0.0136 0.2139 0.2771 0.2775 0.5165 0.6544 0.7462 0.8704 1.0166 1.2053 1.5650 1.6220 5.1271 5.1691 5.4373 5.4385 5.9467 5.9473 6.3351 6.3662 k = 0.1750 1.0175 0.9374 ( 6355 PWs) bands (ev): -17.1074 -17.1074 -13.2217 -13.2217 -12.4585 -12.4584 -10.3272 -10.3270 -10.0739 -10.0737 -8.5175 -8.5173 -8.2405 -8.2405 -6.2161 -6.2159 -5.1475 -5.1465 -3.9056 -3.8961 -3.7788 -3.7783 -3.4060 -3.4039 -2.2877 -2.2854 -1.4129 -1.3732 -1.1616 -1.1200 0.0096 0.2368 0.2746 0.2766 0.4763 0.6293 0.7319 0.8568 1.0162 1.1918 1.6183 1.6679 5.1509 5.1992 5.4295 5.4309 5.9516 5.9523 6.3012 6.3375 k = 0.2000 1.0177 0.9234 ( 6359 PWs) bands (ev): -17.1075 -17.1075 -13.2220 -13.2220 -12.4576 -12.4575 -10.3322 -10.3320 -10.0747 -10.0746 -8.5154 -8.5152 -8.2341 -8.2341 -6.2123 -6.2122 -5.1471 -5.1460 -3.9139 -3.9038 -3.7785 -3.7780 -3.4143 -3.4121 -2.2958 -2.2938 -1.4038 -1.3616 -1.1455 -1.1018 0.0068 0.2513 0.2719 0.2811 0.4367 0.5994 0.7199 0.8487 1.0157 1.1787 1.6701 1.7131 5.1782 5.2325 5.4212 5.4229 5.9569 5.9576 6.2636 6.3051 k = 0.2250 1.0180 0.9094 ( 6365 PWs) bands (ev): -17.1076 -17.1076 -13.2223 -13.2223 -12.4567 -12.4566 -10.3373 -10.3371 -10.0757 -10.0755 -8.5131 -8.5129 -8.2275 -8.2275 -6.2084 -6.2082 -5.1466 -5.1454 -3.9221 -3.9118 -3.7781 -3.7776 -3.4231 -3.4209 -2.3045 -2.3026 -1.3937 -1.3500 -1.1275 -1.0827 0.0045 0.2507 0.2689 0.2932 0.4034 0.5682 0.7097 0.8442 1.0150 1.1659 1.7198 1.7569 5.2087 5.2685 5.4128 5.4149 5.9623 5.9630 6.2229 6.2695 k = 0.2500 1.0183 0.8954 ( 6357 PWs) bands (ev): -17.1077 -17.1077 -13.2226 -13.2226 -12.4558 -12.4557 -10.3425 -10.3422 -10.0768 -10.0766 -8.5106 -8.5104 -8.2208 -8.2208 -6.2045 -6.2043 -5.1460 -5.1448 -3.9301 -3.9198 -3.7775 -3.7770 -3.4322 -3.4300 -2.3135 -2.3119 -1.3829 -1.3387 -1.1078 -1.0631 0.0021 0.2394 0.2658 0.2983 0.3874 0.5384 0.7010 0.8415 1.0140 1.1535 1.7667 1.7987 5.2419 5.3070 5.4047 5.4072 5.9676 5.9684 6.1795 6.2310 k = 0.2750 1.0185 0.8814 ( 6356 PWs) bands (ev): -17.1078 -17.1078 -13.2230 -13.2230 -12.4549 -12.4548 -10.3475 -10.3473 -10.0780 -10.0778 -8.5079 -8.5078 -8.2143 -8.2142 -6.2005 -6.2003 -5.1453 -5.1442 -3.9375 -3.9275 -3.7768 -3.7763 -3.4414 -3.4393 -2.3228 -2.3216 -1.3717 -1.3281 -1.0868 -1.0433 -0.0010 0.2176 0.2626 0.2909 0.3943 0.5120 0.6935 0.8391 1.0133 1.1415 1.8104 1.8379 5.2773 5.3469 5.3976 5.4004 5.9728 5.9735 6.1340 6.1901 k = 0.3000 1.0188 0.8674 ( 6357 PWs) bands (ev): -17.1079 -17.1079 -13.2233 -13.2233 -12.4541 -12.4540 -10.3522 -10.3520 -10.0792 -10.0791 -8.5052 -8.5050 -8.2080 -8.2080 -6.1967 -6.1965 -5.1445 -5.1434 -3.9442 -3.9348 -3.7759 -3.7754 -3.4505 -3.4486 -2.3324 -2.3315 -1.3604 -1.3184 -1.0649 -1.0236 -0.0053 0.1864 0.2594 0.2816 0.4127 0.4905 0.6874 0.8359 1.0131 1.1300 1.8506 1.8740 5.3136 5.3788 5.3957 5.4010 5.9773 5.9782 6.0870 6.1474 k = 0.3250 1.0191 0.8534 ( 6353 PWs) bands (ev): -17.1080 -17.1080 -13.2237 -13.2237 -12.4533 -12.4532 -10.3566 -10.3565 -10.0805 -10.0804 -8.5023 -8.5022 -8.2021 -8.2021 -6.1931 -6.1929 -5.1436 -5.1426 -3.9500 -3.9413 -3.7747 -3.7742 -3.4594 -3.4576 -2.3421 -2.3415 -1.3492 -1.3100 -1.0426 -1.0043 -0.0109 0.1508 0.2565 0.2742 0.4339 0.4747 0.6832 0.8313 1.0139 1.1190 1.8867 1.9065 5.3461 5.3785 5.3977 5.4389 5.9806 5.9821 6.0396 6.1033 k = 0.3500 1.0194 0.8394 ( 6353 PWs) bands (ev): -17.1081 -17.1081 -13.2241 -13.2241 -12.4527 -12.4526 -10.3606 -10.3605 -10.0819 -10.0817 -8.4993 -8.4992 -8.1969 -8.1969 -6.1898 -6.1896 -5.1426 -5.1417 -3.9546 -3.9469 -3.7733 -3.7729 -3.4678 -3.4661 -2.3519 -2.3515 -1.3384 -1.3029 -1.0205 -0.9859 -0.0175 0.1147 0.2538 0.2683 0.4541 0.4649 0.6813 0.8247 1.0161 1.1085 1.9187 1.9351 5.3617 5.3733 5.4192 5.4838 5.9752 5.9847 5.9996 6.0587 k = 0.3750 1.0196 0.8254 ( 6361 PWs) bands (ev): -17.1082 -17.1082 -13.2245 -13.2245 -12.4522 -12.4522 -10.3641 -10.3640 -10.0832 -10.0831 -8.4963 -8.4962 -8.1923 -8.1923 -6.1869 -6.1868 -5.1415 -5.1407 -3.9581 -3.9514 -3.7717 -3.7713 -3.4754 -3.4740 -2.3617 -2.3615 -1.3282 -1.2973 -0.9990 -0.9690 -0.0244 0.0805 0.2513 0.2631 0.4607 0.4715 0.6827 0.8160 1.0197 1.0985 1.9460 1.9594 5.3633 5.3686 5.4574 5.5300 5.9353 5.9827 5.9931 6.0174 k = 0.4000 1.0199 0.8114 ( 6357 PWs) bands (ev): -17.1083 -17.1083 -13.2250 -13.2250 -12.4519 -12.4518 -10.3670 -10.3669 -10.0846 -10.0845 -8.4932 -8.4932 -8.1885 -8.1885 -6.1845 -6.1843 -5.1403 -5.1396 -3.9602 -3.9548 -3.7697 -3.7694 -3.4822 -3.4810 -2.3715 -2.3714 -1.3190 -1.2934 -0.9788 -0.9540 -0.0305 0.0497 0.2489 0.2583 0.4616 0.4846 0.6882 0.8052 1.0248 1.0891 1.9687 1.9791 5.3620 5.3650 5.5009 5.5766 5.8875 5.9563 5.9943 5.9992 k = 0.4250 1.0202 0.7974 ( 6367 PWs) bands (ev): -17.1084 -17.1084 -13.2254 -13.2254 -12.4517 -12.4517 -10.3693 -10.3692 -10.0859 -10.0859 -8.4901 -8.4901 -8.1856 -8.1856 -6.1825 -6.1825 -5.1390 -5.1385 -3.9612 -3.9571 -3.7675 -3.7672 -3.4879 -3.4869 -2.3811 -2.3811 -1.3108 -1.2912 -0.9607 -0.9416 -0.0345 0.0234 0.2465 0.2535 0.4666 0.4928 0.6983 0.7926 1.0313 1.0803 1.9864 1.9940 5.3608 5.3627 5.5463 5.6228 5.8403 5.9129 5.9953 5.9972 k = 0.4500 1.0204 0.7834 ( 6372 PWs) bands (ev): -17.1086 -17.1086 -13.2259 -13.2259 -12.4517 -12.4517 -10.3710 -10.3709 -10.0872 -10.0872 -8.4870 -8.4870 -8.1836 -8.1836 -6.1812 -6.1811 -5.1375 -5.1372 -3.9608 -3.9581 -3.7649 -3.7648 -3.4923 -3.4917 -2.3906 -2.3905 -1.3038 -1.2906 -0.9452 -0.9323 -0.0352 0.0022 0.2440 0.2488 0.4746 0.4965 0.7126 0.7788 1.0391 1.0722 1.9991 2.0041 5.3606 5.3616 5.5924 5.6663 5.7964 5.8678 5.9955 5.9965 k = 0.4750 1.0207 0.7694 ( 6374 PWs) bands (ev): -17.1087 -17.1087 -13.2264 -13.2264 -12.4519 -12.4519 -10.3721 -10.3721 -10.0884 -10.0884 -8.4839 -8.4839 -8.1824 -8.1824 -6.1803 -6.1803 -5.1360 -5.1359 -3.9593 -3.9580 -3.7621 -3.7620 -3.4955 -3.4951 -2.3997 -2.3997 -1.2982 -1.2916 -0.9329 -0.9265 -0.0315 -0.0133 0.2416 0.2440 0.4843 0.4964 0.7303 0.7643 1.0480 1.0647 2.0067 2.0091 5.3615 5.3620 5.6380 5.6956 5.7676 5.8240 5.9946 5.9951 k = 0.5000 1.0210 0.7554 ( 6378 PWs) bands (ev): -17.1088 -17.1088 -13.2269 -13.2269 -12.4523 -12.4523 -10.3726 -10.3726 -10.0895 -10.0895 -8.4808 -8.4808 -8.1822 -8.1822 -6.1801 -6.1801 -5.1345 -5.1345 -3.9568 -3.9568 -3.7589 -3.7589 -3.4972 -3.4972 -2.4086 -2.4086 -1.2941 -1.2941 -0.9244 -0.9244 -0.0230 -0.0229 0.2391 0.2391 0.4941 0.4941 0.7503 0.7503 1.0578 1.0578 2.0092 2.0092 5.3638 5.3638 5.6794 5.6794 5.7854 5.7854 5.9928 5.9928 k = 0.5000 1.0210 0.7554 ( 6378 PWs) bands (ev): -17.1088 -17.1088 -13.2269 -13.2269 -12.4523 -12.4523 -10.3726 -10.3726 -10.0895 -10.0895 -8.4808 -8.4808 -8.1822 -8.1822 -6.1801 -6.1801 -5.1345 -5.1345 -3.9568 -3.9568 -3.7589 -3.7589 -3.4972 -3.4972 -2.4086 -2.4086 -1.2941 -1.2941 -0.9244 -0.9244 -0.0230 -0.0229 0.2391 0.2391 0.4941 0.4941 0.7503 0.7503 1.0578 1.0578 2.0092 2.0092 5.3638 5.3638 5.6794 5.6794 5.7854 5.7854 5.9928 5.9928 k = 0.5000 1.0010 0.7350 ( 6370 PWs) bands (ev): -17.1093 -17.1093 -13.2284 -13.2284 -12.4536 -12.4536 -10.3732 -10.3732 -10.0927 -10.0927 -8.4714 -8.4714 -8.1828 -8.1828 -6.1801 -6.1801 -5.1298 -5.1298 -3.9496 -3.9496 -3.7487 -3.7487 -3.5005 -3.5005 -2.4347 -2.4347 -1.2938 -1.2938 -0.9138 -0.9138 -0.0164 -0.0164 0.2283 0.2283 0.5037 0.5037 0.7616 0.7616 1.0635 1.0635 2.0052 2.0052 5.3719 5.3719 5.6832 5.6833 5.7899 5.7899 5.9846 5.9846 k = 0.5000 0.9811 0.7147 ( 6366 PWs) bands (ev): -17.1098 -17.1098 -13.2299 -13.2299 -12.4552 -12.4552 -10.3739 -10.3739 -10.0960 -10.0960 -8.4614 -8.4614 -8.1837 -8.1837 -6.1800 -6.1800 -5.1249 -5.1249 -3.9421 -3.9421 -3.7374 -3.7374 -3.5040 -3.5040 -2.4622 -2.4621 -1.2939 -1.2939 -0.9020 -0.9020 -0.0104 -0.0104 0.2175 0.2175 0.5142 0.5142 0.7730 0.7730 1.0699 1.0699 2.0009 2.0009 5.3805 5.3805 5.6876 5.6876 5.7950 5.7950 5.9756 5.9756 k = 0.5000 0.9611 0.6943 ( 6374 PWs) bands (ev): -17.1103 -17.1103 -13.2315 -13.2315 -12.4570 -12.4570 -10.3747 -10.3747 -10.0994 -10.0994 -8.4508 -8.4508 -8.1847 -8.1847 -6.1797 -6.1797 -5.1197 -5.1197 -3.9343 -3.9343 -3.7250 -3.7250 -3.5075 -3.5075 -2.4904 -2.4904 -1.2943 -1.2943 -0.8888 -0.8888 -0.0054 -0.0054 0.2074 0.2074 0.5256 0.5256 0.7843 0.7844 1.0770 1.0770 1.9960 1.9960 5.3894 5.3894 5.6924 5.6924 5.8007 5.8008 5.9659 5.9659 k = 0.5000 0.9412 0.6740 ( 6388 PWs) bands (ev): -17.1110 -17.1110 -13.2331 -13.2331 -12.4591 -12.4591 -10.3755 -10.3755 -10.1028 -10.1028 -8.4399 -8.4399 -8.1861 -8.1861 -6.1792 -6.1792 -5.1143 -5.1143 -3.9265 -3.9265 -3.7115 -3.7115 -3.5109 -3.5109 -2.5188 -2.5188 -1.2952 -1.2952 -0.8744 -0.8744 -0.0025 -0.0024 0.1990 0.1990 0.5379 0.5379 0.7952 0.7953 1.0849 1.0850 1.9908 1.9908 5.3985 5.3985 5.6975 5.6976 5.8071 5.8072 5.9557 5.9557 k = 0.5000 0.9212 0.6536 ( 6398 PWs) bands (ev): -17.1117 -17.1117 -13.2346 -13.2346 -12.4613 -12.4613 -10.3762 -10.3762 -10.1061 -10.1061 -8.4287 -8.4287 -8.1877 -8.1877 -6.1785 -6.1785 -5.1089 -5.1089 -3.9187 -3.9187 -3.6970 -3.6970 -3.5140 -3.5140 -2.5471 -2.5471 -1.2966 -1.2966 -0.8587 -0.8587 -0.0024 -0.0024 0.1930 0.1930 0.5510 0.5510 0.8053 0.8054 1.0938 1.0938 1.9851 1.9851 5.4077 5.4077 5.7029 5.7030 5.8141 5.8142 5.9450 5.9450 k = 0.5000 0.9012 0.6333 ( 6386 PWs) bands (ev): -17.1124 -17.1124 -13.2360 -13.2360 -12.4638 -12.4638 -10.3770 -10.3770 -10.1092 -10.1092 -8.4173 -8.4173 -8.1897 -8.1897 -6.1775 -6.1775 -5.1034 -5.1034 -3.9111 -3.9111 -3.6814 -3.6814 -3.5169 -3.5169 -2.5746 -2.5746 -1.2986 -1.2986 -0.8417 -0.8417 -0.0061 -0.0061 0.1905 0.1905 0.5648 0.5648 0.8144 0.8145 1.1037 1.1037 1.9789 1.9789 5.4167 5.4167 5.7084 5.7084 5.8217 5.8217 5.9340 5.9340 k = 0.5000 0.8813 0.6129 ( 6378 PWs) bands (ev): -17.1133 -17.1133 -13.2373 -13.2373 -12.4665 -12.4665 -10.3778 -10.3778 -10.1121 -10.1121 -8.4060 -8.4060 -8.1920 -8.1920 -6.1764 -6.1764 -5.0980 -5.0980 -3.9038 -3.9038 -3.6648 -3.6648 -3.5194 -3.5193 -2.6009 -2.6009 -1.3012 -1.3012 -0.8234 -0.8234 -0.0141 -0.0141 0.1919 0.1919 0.5792 0.5793 0.8222 0.8223 1.1146 1.1146 1.9723 1.9723 5.4254 5.4254 5.7137 5.7138 5.8297 5.8297 5.9229 5.9229 k = 0.5000 0.8613 0.5926 ( 6388 PWs) bands (ev): -17.1142 -17.1142 -13.2385 -13.2385 -12.4695 -12.4695 -10.3786 -10.3786 -10.1148 -10.1148 -8.3949 -8.3949 -8.1947 -8.1947 -6.1750 -6.1750 -5.0927 -5.0927 -3.8969 -3.8969 -3.6474 -3.6474 -3.5213 -3.5213 -2.6256 -2.6256 -1.3045 -1.3045 -0.8039 -0.8039 -0.0263 -0.0263 0.1971 0.1971 0.5942 0.5942 0.8286 0.8287 1.1266 1.1266 1.9653 1.9653 5.4337 5.4337 5.7186 5.7187 5.8379 5.8379 5.9123 5.9123 k = 0.5000 0.8414 0.5722 ( 6380 PWs) bands (ev): -17.1152 -17.1152 -13.2394 -13.2394 -12.4728 -12.4728 -10.3794 -10.3794 -10.1170 -10.1170 -8.3841 -8.3841 -8.1978 -8.1978 -6.1735 -6.1735 -5.0877 -5.0877 -3.8905 -3.8905 -3.6291 -3.6291 -3.5227 -3.5227 -2.6483 -2.6483 -1.3085 -1.3085 -0.7832 -0.7832 -0.0422 -0.0422 0.2056 0.2056 0.6095 0.6096 0.8338 0.8339 1.1396 1.1397 1.9579 1.9579 5.4412 5.4412 5.7228 5.7229 5.8456 5.8456 5.9028 5.9029 k = 0.5000 0.8214 0.5519 ( 6382 PWs) bands (ev): -17.1163 -17.1163 -13.2402 -13.2402 -12.4763 -12.4763 -10.3802 -10.3802 -10.1189 -10.1189 -8.3737 -8.3737 -8.2013 -8.2013 -6.1718 -6.1718 -5.0829 -5.0829 -3.8847 -3.8847 -3.6100 -3.6100 -3.5234 -3.5234 -2.6687 -2.6687 -1.3132 -1.3132 -0.7614 -0.7614 -0.0611 -0.0611 0.2167 0.2167 0.6252 0.6252 0.8378 0.8379 1.1535 1.1535 1.9500 1.9500 5.4480 5.4480 5.7259 5.7260 5.8509 5.8510 5.8967 5.8967 k = 0.5000 0.8014 0.5315 ( 6382 PWs) bands (ev): -17.1175 -17.1175 -13.2406 -13.2406 -12.4800 -12.4800 -10.3810 -10.3810 -10.1203 -10.1203 -8.3639 -8.3639 -8.2053 -8.2053 -6.1700 -6.1700 -5.0786 -5.0786 -3.8794 -3.8794 -3.5903 -3.5903 -3.5233 -3.5233 -2.6864 -2.6864 -1.3187 -1.3187 -0.7385 -0.7385 -0.0825 -0.0825 0.2298 0.2298 0.6409 0.6409 0.8409 0.8410 1.1681 1.1681 1.9418 1.9418 5.4537 5.4537 5.7276 5.7276 5.8510 5.8511 5.8969 5.8969 k = 0.5000 0.7815 0.5112 ( 6366 PWs) bands (ev): -17.1188 -17.1188 -13.2408 -13.2408 -12.4840 -12.4840 -10.3818 -10.3818 -10.1212 -10.1212 -8.3548 -8.3548 -8.2096 -8.2096 -6.1681 -6.1681 -5.0746 -5.0746 -3.8747 -3.8747 -3.5704 -3.5704 -3.5219 -3.5219 -2.7013 -2.7013 -1.3249 -1.3249 -0.7144 -0.7144 -0.1057 -0.1057 0.2441 0.2442 0.6565 0.6565 0.8435 0.8437 1.1831 1.1831 1.9332 1.9332 5.4584 5.4584 5.7274 5.7274 5.8456 5.8456 5.9041 5.9041 k = 0.5000 0.7615 0.4908 ( 6360 PWs) bands (ev): -17.1201 -17.1201 -13.2407 -13.2407 -12.4883 -12.4883 -10.3825 -10.3825 -10.1215 -10.1215 -8.3465 -8.3465 -8.2145 -8.2145 -6.1662 -6.1662 -5.0711 -5.0711 -3.8704 -3.8704 -3.5511 -3.5511 -3.5185 -3.5185 -2.7131 -2.7131 -1.3318 -1.3318 -0.6894 -0.6894 -0.1303 -0.1303 0.2593 0.2593 0.6717 0.6718 0.8461 0.8463 1.1983 1.1983 1.9242 1.9242 5.4617 5.4617 5.7250 5.7251 5.8372 5.8373 5.9157 5.9157 k = 0.5000 0.7416 0.4705 ( 6354 PWs) bands (ev): -17.1215 -17.1215 -13.2402 -13.2402 -12.4928 -12.4928 -10.3832 -10.3832 -10.1213 -10.1213 -8.3390 -8.3390 -8.2197 -8.2197 -6.1644 -6.1644 -5.0682 -5.0682 -3.8667 -3.8667 -3.5354 -3.5354 -3.5101 -3.5101 -2.7219 -2.7219 -1.3394 -1.3394 -0.6634 -0.6634 -0.1560 -0.1560 0.2748 0.2748 0.6863 0.6864 0.8492 0.8494 1.2134 1.2135 1.9149 1.9149 5.4636 5.4636 5.7203 5.7203 5.8279 5.8280 5.9297 5.9298 k = 0.5000 0.7216 0.4501 ( 6362 PWs) bands (ev): -17.1230 -17.1230 -13.2395 -13.2395 -12.4976 -12.4976 -10.3839 -10.3839 -10.1205 -10.1205 -8.3325 -8.3325 -8.2254 -8.2254 -6.1626 -6.1626 -5.0658 -5.0658 -3.8632 -3.8632 -3.5263 -3.5263 -3.4936 -3.4936 -2.7275 -2.7275 -1.3477 -1.3477 -0.6366 -0.6366 -0.1825 -0.1825 0.2902 0.2903 0.7001 0.7002 0.8533 0.8535 1.2283 1.2284 1.9053 1.9053 5.4639 5.4639 5.7131 5.7131 5.8184 5.8185 5.9456 5.9456 k = 0.5000 0.7016 0.4298 ( 6358 PWs) bands (ev): -17.1245 -17.1245 -13.2384 -13.2384 -12.5026 -12.5026 -10.3845 -10.3845 -10.1190 -10.1190 -8.3271 -8.3271 -8.2315 -8.2315 -6.1610 -6.1610 -5.0640 -5.0640 -3.8600 -3.8600 -3.5207 -3.5207 -3.4725 -3.4725 -2.7300 -2.7300 -1.3565 -1.3565 -0.6089 -0.6089 -0.2096 -0.2096 0.3053 0.3054 0.7129 0.7130 0.8588 0.8590 1.2426 1.2427 1.8953 1.8953 5.4627 5.4627 5.7035 5.7035 5.8087 5.8088 5.9627 5.9628 k = 0.5000 0.6817 0.4094 ( 6360 PWs) bands (ev): -17.1261 -17.1261 -13.2369 -13.2369 -12.5077 -12.5077 -10.3851 -10.3851 -10.1169 -10.1169 -8.3227 -8.3227 -8.2380 -8.2380 -6.1595 -6.1595 -5.0628 -5.0628 -3.8570 -3.8570 -3.5157 -3.5157 -3.4495 -3.4495 -2.7293 -2.7293 -1.3660 -1.3660 -0.5806 -0.5806 -0.2372 -0.2371 0.3197 0.3198 0.7246 0.7247 0.8661 0.8663 1.2563 1.2564 1.8850 1.8850 5.4597 5.4597 5.6917 5.6918 5.7987 5.7987 5.9811 5.9811 k = 0.5000 0.6617 0.3891 ( 6370 PWs) bands (ev): -17.1278 -17.1278 -13.2351 -13.2351 -12.5131 -12.5131 -10.3857 -10.3857 -10.1142 -10.1142 -8.3194 -8.3194 -8.2449 -8.2449 -6.1582 -6.1582 -5.0622 -5.0622 -3.8539 -3.8539 -3.5105 -3.5105 -3.4256 -3.4256 -2.7257 -2.7257 -1.3760 -1.3760 -0.5515 -0.5515 -0.2649 -0.2649 0.3331 0.3332 0.7355 0.7356 0.8752 0.8754 1.2690 1.2691 1.8744 1.8744 5.4549 5.4549 5.6782 5.6782 5.7880 5.7881 6.0006 6.0006 k = 0.5000 0.6418 0.3687 ( 6358 PWs) bands (ev): -17.1296 -17.1296 -13.2329 -13.2329 -12.5186 -12.5186 -10.3862 -10.3862 -10.1108 -10.1108 -8.3173 -8.3173 -8.2521 -8.2521 -6.1571 -6.1571 -5.0623 -5.0623 -3.8509 -3.8509 -3.5048 -3.5048 -3.4012 -3.4012 -2.7191 -2.7191 -1.3864 -1.3864 -0.5219 -0.5219 -0.2928 -0.2927 0.3454 0.3455 0.7458 0.7458 0.8860 0.8862 1.2808 1.2809 1.8636 1.8636 5.4484 5.4484 5.6631 5.6632 5.7765 5.7765 6.0211 6.0211 k = 0.5000 0.6218 0.3484 ( 6346 PWs) bands (ev): -17.1314 -17.1314 -13.2304 -13.2304 -12.5242 -12.5242 -10.3867 -10.3867 -10.1069 -10.1069 -8.3164 -8.3164 -8.2596 -8.2596 -6.1562 -6.1562 -5.0629 -5.0629 -3.8477 -3.8477 -3.4985 -3.4985 -3.3765 -3.3765 -2.7097 -2.7097 -1.3972 -1.3972 -0.4919 -0.4919 -0.3206 -0.3205 0.3563 0.3564 0.7559 0.7559 0.8981 0.8983 1.2915 1.2916 1.8526 1.8526 5.4401 5.4401 5.6468 5.6468 5.7638 5.7639 6.0424 6.0424 k = 0.5000 0.6018 0.3280 ( 6350 PWs) bands (ev): -17.1332 -17.1332 -13.2276 -13.2276 -12.5300 -12.5300 -10.3872 -10.3872 -10.1024 -10.1024 -8.3166 -8.3166 -8.2674 -8.2674 -6.1555 -6.1555 -5.0641 -5.0641 -3.8444 -3.8444 -3.4918 -3.4918 -3.3515 -3.3515 -2.6978 -2.6978 -1.4084 -1.4084 -0.4616 -0.4616 -0.3482 -0.3481 0.3658 0.3659 0.7661 0.7662 0.9111 0.9112 1.3012 1.3013 1.8413 1.8413 5.4301 5.4301 5.6294 5.6295 5.7500 5.7500 6.0646 6.0646 k = 0.5000 0.5819 0.3077 ( 6346 PWs) bands (ev): -17.1350 -17.1350 -13.2245 -13.2245 -12.5359 -12.5359 -10.3876 -10.3876 -10.0973 -10.0973 -8.3179 -8.3179 -8.2755 -8.2755 -6.1549 -6.1549 -5.0659 -5.0659 -3.8409 -3.8409 -3.4846 -3.4846 -3.3264 -3.3264 -2.6833 -2.6833 -1.4198 -1.4198 -0.4313 -0.4313 -0.3752 -0.3752 0.3739 0.3740 0.7769 0.7769 0.9245 0.9247 1.3098 1.3098 1.8299 1.8299 5.4184 5.4184 5.6111 5.6112 5.7349 5.7349 6.0875 6.0875 k = 0.5000 0.5619 0.2873 ( 6354 PWs) bands (ev): -17.1369 -17.1369 -13.2211 -13.2211 -12.5418 -12.5418 -10.3879 -10.3879 -10.0917 -10.0917 -8.3203 -8.3203 -8.2838 -8.2838 -6.1544 -6.1544 -5.0682 -5.0682 -3.8374 -3.8374 -3.4769 -3.4769 -3.3013 -3.3013 -2.6665 -2.6665 -1.4314 -1.4314 -0.4086 -0.4085 -0.3942 -0.3941 0.3806 0.3807 0.7883 0.7883 0.9380 0.9381 1.3173 1.3174 1.8184 1.8184 5.4051 5.4051 5.5920 5.5920 5.7187 5.7187 6.1110 6.1110 k = 0.5000 0.5420 0.2670 ( 6360 PWs) bands (ev): -17.1388 -17.1388 -13.2174 -13.2174 -12.5477 -12.5477 -10.3882 -10.3882 -10.0858 -10.0858 -8.3238 -8.3238 -8.2922 -8.2922 -6.1541 -6.1541 -5.0709 -5.0709 -3.8338 -3.8338 -3.4689 -3.4689 -3.2764 -3.2764 -2.6475 -2.6475 -1.4431 -1.4431 -0.4307 -0.4307 -0.3677 -0.3677 0.3861 0.3862 0.8003 0.8003 0.9511 0.9513 1.3240 1.3241 1.8068 1.8068 5.3903 5.3903 5.5721 5.5721 5.7015 5.7015 6.1351 6.1351 k = 0.5000 0.5220 0.2466 ( 6378 PWs) bands (ev): -17.1407 -17.1407 -13.2136 -13.2136 -12.5536 -12.5536 -10.3884 -10.3884 -10.0794 -10.0794 -8.3283 -8.3283 -8.3007 -8.3007 -6.1537 -6.1537 -5.0741 -5.0741 -3.8303 -3.8303 -3.4606 -3.4606 -3.2516 -3.2516 -2.6266 -2.6266 -1.4549 -1.4549 -0.4565 -0.4565 -0.3371 -0.3371 0.3906 0.3907 0.8128 0.8129 0.9636 0.9637 1.3299 1.3300 1.7952 1.7952 5.3742 5.3742 5.5515 5.5516 5.6835 5.6835 6.1595 6.1595 k = 0.5000 0.5020 0.2263 ( 6374 PWs) bands (ev): -17.1426 -17.1426 -13.2095 -13.2095 -12.5594 -12.5594 -10.3886 -10.3886 -10.0726 -10.0726 -8.3337 -8.3337 -8.3093 -8.3093 -6.1533 -6.1533 -5.0776 -5.0776 -3.8268 -3.8268 -3.4521 -3.4521 -3.2271 -3.2271 -2.6038 -2.6038 -1.4667 -1.4667 -0.4819 -0.4819 -0.3065 -0.3065 0.3943 0.3944 0.8256 0.8256 0.9751 0.9752 1.3352 1.3353 1.7837 1.7837 5.3569 5.3570 5.5303 5.5303 5.6650 5.6650 6.1843 6.1843 k = 0.5000 0.4821 0.2059 ( 6378 PWs) bands (ev): -17.1445 -17.1445 -13.2054 -13.2054 -12.5652 -12.5652 -10.3887 -10.3887 -10.0656 -10.0656 -8.3398 -8.3398 -8.3179 -8.3179 -6.1529 -6.1529 -5.0815 -5.0815 -3.8235 -3.8235 -3.4435 -3.4435 -3.2031 -3.2031 -2.5795 -2.5795 -1.4784 -1.4784 -0.5067 -0.5067 -0.2761 -0.2761 0.3975 0.3976 0.8383 0.8384 0.9854 0.9855 1.3402 1.3402 1.7723 1.7723 5.3387 5.3387 5.5085 5.5085 5.6462 5.6462 6.2093 6.2093 k = 0.5000 0.4621 0.1856 ( 6384 PWs) bands (ev): -17.1463 -17.1463 -13.2011 -13.2011 -12.5709 -12.5709 -10.3888 -10.3888 -10.0584 -10.0584 -8.3467 -8.3467 -8.3264 -8.3264 -6.1524 -6.1524 -5.0855 -5.0855 -3.8205 -3.8205 -3.4348 -3.4348 -3.1795 -3.1795 -2.5538 -2.5538 -1.4898 -1.4898 -0.5306 -0.5306 -0.2461 -0.2461 0.4002 0.4003 0.8505 0.8506 0.9946 0.9946 1.3449 1.3450 1.7611 1.7611 5.3197 5.3197 5.4861 5.4861 5.6274 5.6274 6.2343 6.2343 k = 0.5000 0.4422 0.1652 ( 6372 PWs) bands (ev): -17.1481 -17.1481 -13.1967 -13.1967 -12.5764 -12.5764 -10.3888 -10.3888 -10.0511 -10.0511 -8.3541 -8.3541 -8.3349 -8.3349 -6.1517 -6.1517 -5.0898 -5.0898 -3.8179 -3.8178 -3.4261 -3.4260 -3.1567 -3.1567 -2.5270 -2.5270 -1.5011 -1.5011 -0.5537 -0.5537 -0.2167 -0.2167 0.4028 0.4029 0.8619 0.8620 1.0024 1.0025 1.3497 1.3497 1.7502 1.7502 5.3002 5.3002 5.4633 5.4633 5.6089 5.6089 6.2592 6.2592 k = 0.5000 0.4222 0.1449 ( 6370 PWs) bands (ev): -17.1499 -17.1499 -13.1923 -13.1923 -12.5817 -12.5817 -10.3888 -10.3888 -10.0438 -10.0438 -8.3620 -8.3620 -8.3431 -8.3431 -6.1510 -6.1509 -5.0941 -5.0941 -3.8155 -3.8155 -3.4175 -3.4175 -3.1345 -3.1345 -2.4994 -2.4994 -1.5120 -1.5120 -0.5759 -0.5759 -0.1881 -0.1881 0.4053 0.4054 0.8720 0.8721 1.0091 1.0092 1.3545 1.3546 1.7398 1.7398 5.2804 5.2804 5.4402 5.4402 5.5909 5.5909 6.2839 6.2839 k = 0.5000 0.4022 0.1245 ( 6382 PWs) bands (ev): -17.1516 -17.1516 -13.1880 -13.1880 -12.5869 -12.5869 -10.3887 -10.3887 -10.0364 -10.0364 -8.3702 -8.3702 -8.3512 -8.3512 -6.1500 -6.1500 -5.0986 -5.0986 -3.8137 -3.8137 -3.4091 -3.4091 -3.1133 -3.1133 -2.4713 -2.4713 -1.5225 -1.5225 -0.5969 -0.5969 -0.1603 -0.1603 0.4079 0.4079 0.8803 0.8804 1.0149 1.0150 1.3596 1.3596 1.7298 1.7298 5.2606 5.2606 5.4171 5.4171 5.5736 5.5736 6.3081 6.3081 k = 0.5000 0.3823 0.1042 ( 6382 PWs) bands (ev): -17.1532 -17.1532 -13.1838 -13.1838 -12.5918 -12.5918 -10.3885 -10.3885 -10.0292 -10.0292 -8.3786 -8.3786 -8.3590 -8.3590 -6.1489 -6.1489 -5.1030 -5.1030 -3.8123 -3.8123 -3.4009 -3.4009 -3.0930 -3.0930 -2.4431 -2.4431 -1.5326 -1.5326 -0.6168 -0.6168 -0.1335 -0.1335 0.4105 0.4106 0.8863 0.8865 1.0202 1.0202 1.3648 1.3649 1.7205 1.7205 5.2409 5.2409 5.3941 5.3941 5.5571 5.5571 6.3319 6.3319 k = 0.5000 0.3623 0.0838 ( 6394 PWs) bands (ev): -17.1547 -17.1547 -13.1796 -13.1796 -12.5964 -12.5964 -10.3884 -10.3884 -10.0222 -10.0222 -8.3870 -8.3870 -8.3664 -8.3664 -6.1477 -6.1477 -5.1073 -5.1073 -3.8113 -3.8113 -3.3931 -3.3931 -3.0738 -3.0738 -2.4150 -2.4150 -1.5422 -1.5421 -0.6355 -0.6355 -0.1080 -0.1079 0.4133 0.4134 0.8899 0.8901 1.0251 1.0251 1.3703 1.3703 1.7118 1.7118 5.2217 5.2217 5.3715 5.3715 5.5417 5.5417 6.3549 6.3549 k = 0.5000 0.3424 0.0635 ( 6384 PWs) bands (ev): -17.1561 -17.1561 -13.1757 -13.1757 -12.6007 -12.6007 -10.3882 -10.3882 -10.0155 -10.0155 -8.3952 -8.3952 -8.3734 -8.3734 -6.1464 -6.1464 -5.1114 -5.1114 -3.8107 -3.8107 -3.3857 -3.3857 -3.0559 -3.0559 -2.3876 -2.3876 -1.5511 -1.5511 -0.6529 -0.6529 -0.0838 -0.0838 0.4163 0.4163 0.8909 0.8911 1.0299 1.0300 1.3758 1.3758 1.7039 1.7040 5.2032 5.2032 5.3496 5.3497 5.5273 5.5274 6.3770 6.3770 k = 0.5000 0.3224 0.0431 ( 6380 PWs) bands (ev): -17.1575 -17.1575 -13.1719 -13.1719 -12.6047 -12.6047 -10.3879 -10.3879 -10.0091 -10.0091 -8.4032 -8.4032 -8.3800 -8.3800 -6.1450 -6.1450 -5.1154 -5.1154 -3.8104 -3.8104 -3.3788 -3.3788 -3.0392 -3.0392 -2.3611 -2.3611 -1.5594 -1.5594 -0.6689 -0.6689 -0.0612 -0.0611 0.4193 0.4193 0.8896 0.8897 1.0348 1.0349 1.3812 1.3813 1.6969 1.6969 5.1857 5.1857 5.3288 5.3288 5.5142 5.5142 6.3980 6.3980 k = 0.5000 0.3025 0.0228 ( 6384 PWs) bands (ev): -17.1587 -17.1587 -13.1685 -13.1685 -12.6083 -12.6083 -10.3877 -10.3877 -10.0032 -10.0032 -8.4108 -8.4108 -8.3860 -8.3860 -6.1436 -6.1436 -5.1191 -5.1191 -3.8105 -3.8105 -3.3725 -3.3725 -3.0240 -3.0240 -2.3360 -2.3360 -1.5670 -1.5670 -0.6835 -0.6835 -0.0403 -0.0402 0.4224 0.4224 0.8862 0.8863 1.0397 1.0397 1.3865 1.3866 1.6907 1.6907 5.1693 5.1693 5.3092 5.3092 5.5022 5.5023 6.4176 6.4176 k = 0.5000 0.2825 0.0024 ( 6380 PWs) bands (ev): -17.1598 -17.1598 -13.1653 -13.1653 -12.6116 -12.6116 -10.3875 -10.3875 -9.9978 -9.9978 -8.4179 -8.4179 -8.3915 -8.3915 -6.1421 -6.1421 -5.1225 -5.1225 -3.8107 -3.8107 -3.3667 -3.3667 -3.0103 -3.0103 -2.3127 -2.3126 -1.5739 -1.5738 -0.6965 -0.6965 -0.0213 -0.0213 0.4254 0.4255 0.8813 0.8814 1.0444 1.0444 1.3915 1.3915 1.6854 1.6854 5.1543 5.1543 5.2912 5.2912 5.4916 5.4916 6.4357 6.4357 k = 0.5000 0.2625-0.0179 ( 6384 PWs) bands (ev): -17.1607 -17.1607 -13.1625 -13.1625 -12.6144 -12.6144 -10.3873 -10.3873 -9.9929 -9.9929 -8.4243 -8.4243 -8.3963 -8.3963 -6.1408 -6.1408 -5.1256 -5.1255 -3.8112 -3.8112 -3.3616 -3.3616 -2.9982 -2.9982 -2.2915 -2.2915 -1.5799 -1.5799 -0.7079 -0.7079 -0.0044 -0.0043 0.4284 0.4284 0.8756 0.8757 1.0488 1.0488 1.3960 1.3961 1.6809 1.6809 5.1408 5.1408 5.2750 5.2750 5.4823 5.4823 6.4520 6.4520 k = 0.5000 0.2426-0.0383 ( 6380 PWs) bands (ev): -17.1616 -17.1616 -13.1600 -13.1600 -12.6169 -12.6169 -10.3870 -10.3870 -9.9887 -9.9887 -8.4299 -8.4299 -8.4005 -8.4005 -6.1396 -6.1396 -5.1282 -5.1282 -3.8117 -3.8117 -3.3572 -3.3572 -2.9879 -2.9879 -2.2729 -2.2729 -1.5851 -1.5851 -0.7177 -0.7177 0.0103 0.0103 0.4311 0.4311 0.8695 0.8696 1.0527 1.0527 1.4000 1.4000 1.6772 1.6772 5.1291 5.1291 5.2609 5.2610 5.4744 5.4744 6.4663 6.4663 k = 0.5000 0.2226-0.0586 ( 6376 PWs) bands (ev): -17.1622 -17.1622 -13.1580 -13.1580 -12.6189 -12.6189 -10.3869 -10.3869 -9.9852 -9.9852 -8.4346 -8.4346 -8.4040 -8.4040 -6.1385 -6.1385 -5.1304 -5.1304 -3.8123 -3.8123 -3.3535 -3.3535 -2.9793 -2.9793 -2.2571 -2.2571 -1.5894 -1.5894 -0.7258 -0.7258 0.0226 0.0226 0.4335 0.4336 0.8637 0.8638 1.0560 1.0560 1.4034 1.4034 1.6744 1.6744 5.1193 5.1193 5.2491 5.2491 5.4678 5.4678 6.4783 6.4784 k = 0.5000 0.2027-0.0790 ( 6376 PWs) bands (ev): -17.1628 -17.1628 -13.1564 -13.1564 -12.6205 -12.6205 -10.3867 -10.3867 -9.9824 -9.9824 -8.4384 -8.4384 -8.4067 -8.4067 -6.1376 -6.1376 -5.1322 -5.1322 -3.8128 -3.8128 -3.3506 -3.3506 -2.9725 -2.9725 -2.2446 -2.2446 -1.5927 -1.5927 -0.7321 -0.7321 0.0322 0.0322 0.4356 0.4356 0.8586 0.8587 1.0587 1.0587 1.4061 1.4061 1.6722 1.6722 5.1116 5.1116 5.2397 5.2398 5.4627 5.4627 6.4880 6.4880 k = 0.5000 0.1827-0.0993 ( 6384 PWs) bands (ev): -17.1632 -17.1632 -13.1552 -13.1552 -12.6216 -12.6216 -10.3866 -10.3866 -9.9804 -9.9804 -8.4412 -8.4412 -8.4087 -8.4087 -6.1369 -6.1369 -5.1334 -5.1334 -3.8132 -3.8132 -3.3486 -3.3486 -2.9677 -2.9677 -2.2354 -2.2354 -1.5952 -1.5952 -0.7367 -0.7367 0.0393 0.0393 0.4371 0.4371 0.8547 0.8547 1.0606 1.0606 1.4080 1.4080 1.6707 1.6707 5.1060 5.1060 5.2330 5.2330 5.4590 5.4590 6.4950 6.4950 k = 0.5000 0.1627-0.1197 ( 6380 PWs) bands (ev): -17.1634 -17.1634 -13.1545 -13.1545 -12.6223 -12.6223 -10.3865 -10.3865 -9.9792 -9.9792 -8.4428 -8.4428 -8.4099 -8.4099 -6.1365 -6.1365 -5.1342 -5.1342 -3.8134 -3.8134 -3.3473 -3.3473 -2.9648 -2.9648 -2.2298 -2.2298 -1.5966 -1.5966 -0.7394 -0.7394 0.0435 0.0435 0.4380 0.4380 0.8522 0.8523 1.0617 1.0617 1.4092 1.4092 1.6698 1.6698 5.1026 5.1026 5.2288 5.2288 5.4568 5.4568 6.4992 6.4992 k = 0.5000 0.1428-0.1400 ( 6386 PWs) bands (ev): -17.1635 -17.1635 -13.1543 -13.1543 -12.6225 -12.6225 -10.3865 -10.3865 -9.9788 -9.9788 -8.4434 -8.4434 -8.4103 -8.4103 -6.1364 -6.1364 -5.1345 -5.1345 -3.8135 -3.8135 -3.3469 -3.3469 -2.9638 -2.9638 -2.2280 -2.2280 -1.5971 -1.5971 -0.7403 -0.7403 0.0449 0.0449 0.4383 0.4383 0.8514 0.8514 1.0621 1.0621 1.4095 1.4095 1.6696 1.6696 5.1014 5.1014 5.2275 5.2275 5.4561 5.4561 6.5007 6.5007 k = 0.5000 0.1428 0.8954 ( 6372 PWs) bands (ev): -17.1275 -17.1275 -13.2370 -13.2370 -12.5063 -12.5063 -10.4230 -10.4230 -10.0942 -10.0942 -8.3361 -8.3361 -8.2115 -8.2115 -6.1696 -6.1696 -5.0617 -5.0617 -3.9078 -3.9078 -3.5194 -3.5194 -3.3411 -3.3411 -2.7469 -2.7469 -1.3061 -1.3061 -0.5712 -0.5712 -0.3784 -0.3784 0.3436 0.3436 0.7749 0.7749 1.1099 1.1099 1.3690 1.3690 1.6455 1.6455 5.3048 5.3048 5.5059 5.5059 5.8283 5.8283 6.2109 6.2109 k = 0.4861 0.1388 0.8706 ( 6378 PWs) bands (ev): -17.1276 -17.1275 -13.2368 -13.2368 -12.5065 -12.5065 -10.4234 -10.4233 -10.0938 -10.0937 -8.3364 -8.3363 -8.2115 -8.2114 -6.1695 -6.1695 -5.0619 -5.0618 -3.9082 -3.9077 -3.5193 -3.5189 -3.3412 -3.3401 -2.7471 -2.7463 -1.3077 -1.3032 -0.5731 -0.5677 -0.3792 -0.3786 0.3419 0.3472 0.7732 0.7770 1.1062 1.1130 1.3637 1.3744 1.6411 1.6495 5.3038 5.3054 5.5047 5.5060 5.8257 5.8302 6.2085 6.2125 k = 0.4722 0.1348 0.8457 ( 6374 PWs) bands (ev): -17.1278 -17.1278 -13.2364 -13.2364 -12.5070 -12.5070 -10.4244 -10.4243 -10.0925 -10.0924 -8.3373 -8.3370 -8.2115 -8.2113 -6.1693 -6.1692 -5.0624 -5.0621 -3.9088 -3.9079 -3.5185 -3.5178 -3.3403 -3.3381 -2.7468 -2.7452 -1.3081 -1.2992 -0.5734 -0.5626 -0.3811 -0.3798 0.3419 0.3526 0.7717 0.7792 1.1020 1.1155 1.3586 1.3798 1.6361 1.6531 5.3024 5.3057 5.5024 5.5049 5.8221 5.8312 6.2052 6.2132 k = 0.4583 0.1309 0.8208 ( 6371 PWs) bands (ev): -17.1281 -17.1281 -13.2356 -13.2356 -12.5079 -12.5078 -10.4262 -10.4261 -10.0904 -10.0902 -8.3387 -8.3382 -8.2114 -8.2112 -6.1689 -6.1688 -5.0632 -5.0628 -3.9097 -3.9084 -3.5172 -3.5161 -3.3385 -3.3353 -2.7459 -2.7436 -1.3073 -1.2941 -0.5721 -0.5559 -0.3839 -0.3819 0.3438 0.3597 0.7705 0.7817 1.0973 1.1175 1.3536 1.3854 1.6305 1.6562 5.3008 5.3057 5.4991 5.5028 5.8178 5.8314 6.2011 6.2131 k = 0.4444 0.1269 0.7959 ( 6370 PWs) bands (ev): -17.1286 -17.1286 -13.2345 -13.2345 -12.5091 -12.5089 -10.4287 -10.4285 -10.0874 -10.0872 -8.3406 -8.3400 -8.2112 -8.2109 -6.1683 -6.1681 -5.0642 -5.0637 -3.9111 -3.9092 -3.5154 -3.5139 -3.3357 -3.3314 -2.7445 -2.7415 -1.3053 -1.2879 -0.5691 -0.5478 -0.3877 -0.3851 0.3474 0.3686 0.7697 0.7843 1.0921 1.1189 1.3488 1.3909 1.6245 1.6588 5.2987 5.3053 5.4947 5.4996 5.8126 5.8308 6.1962 6.2123 k = 0.4306 0.1229 0.7711 ( 6368 PWs) bands (ev): -17.1292 -17.1292 -13.2331 -13.2331 -12.5106 -12.5104 -10.4318 -10.4315 -10.0837 -10.0834 -8.3430 -8.3423 -8.2111 -8.2107 -6.1676 -6.1674 -5.0655 -5.0648 -3.9128 -3.9103 -3.5131 -3.5112 -3.3317 -3.3266 -2.7424 -2.7388 -1.3023 -1.2808 -0.5645 -0.5382 -0.3924 -0.3893 0.3526 0.3792 0.7693 0.7871 1.0863 1.1197 1.3444 1.3966 1.6180 1.6611 5.2964 5.3045 5.4892 5.4953 5.8066 5.8293 6.1906 6.2107 k = 0.4167 0.1190 0.7462 ( 6368 PWs) bands (ev): -17.1300 -17.1299 -13.2315 -13.2315 -12.5124 -12.5122 -10.4355 -10.4352 -10.0792 -10.0789 -8.3458 -8.3450 -8.2109 -8.2105 -6.1666 -6.1664 -5.0670 -5.0663 -3.9149 -3.9119 -3.5104 -3.5081 -3.3266 -3.3207 -2.7396 -2.7355 -1.2981 -1.2729 -0.5584 -0.5272 -0.3980 -0.3944 0.3592 0.3913 0.7692 0.7901 1.0801 1.1199 1.3402 1.4023 1.6109 1.6631 5.2938 5.3033 5.4828 5.4900 5.7999 5.8270 6.1844 6.2084 k = 0.4028 0.1150 0.7213 ( 6369 PWs) bands (ev): -17.1308 -17.1308 -13.2296 -13.2295 -12.5145 -12.5143 -10.4398 -10.4394 -10.0740 -10.0736 -8.3491 -8.3483 -8.2107 -8.2102 -6.1655 -6.1653 -5.0688 -5.0679 -3.9176 -3.9141 -3.5073 -3.5046 -3.3203 -3.3137 -2.7360 -2.7315 -1.2930 -1.2642 -0.5507 -0.5149 -0.4046 -0.4004 0.3672 0.4048 0.7695 0.7932 1.0734 1.1196 1.3365 1.4081 1.6034 1.6647 5.2908 5.3017 5.4754 5.4838 5.7924 5.8239 6.1775 6.2055 k = 0.3889 0.1110 0.6964 ( 6373 PWs) bands (ev): -17.1318 -17.1318 -13.2274 -13.2274 -12.5168 -12.5166 -10.4446 -10.4442 -10.0681 -10.0677 -8.3528 -8.3519 -8.2105 -8.2100 -6.1643 -6.1640 -5.0708 -5.0698 -3.9209 -3.9167 -3.5039 -3.5008 -3.3127 -3.3056 -2.7315 -2.7267 -1.2871 -1.2549 -0.5415 -0.5015 -0.4119 -0.4073 0.3763 0.4195 0.7702 0.7965 1.0663 1.1187 1.3333 1.4140 1.5955 1.6661 5.2875 5.2998 5.4673 5.4766 5.7841 5.8199 6.1702 6.2020 k = 0.3750 0.1071 0.6716 ( 6374 PWs) bands (ev): -17.1329 -17.1329 -13.2250 -13.2249 -12.5194 -12.5192 -10.4499 -10.4494 -10.0616 -10.0612 -8.3569 -8.3559 -8.2103 -8.2098 -6.1628 -6.1625 -5.0730 -5.0719 -3.9248 -3.9200 -3.5002 -3.4968 -3.3038 -3.2963 -2.7261 -2.7210 -1.2803 -1.2451 -0.5310 -0.4871 -0.4198 -0.4150 0.3862 0.4353 0.7712 0.8001 1.0589 1.1173 1.3307 1.4201 1.5872 1.6672 5.2840 5.2974 5.4583 5.4686 5.7752 5.8152 6.1624 6.1979 k = 0.3611 0.1031 0.6467 ( 6380 PWs) bands (ev): -17.1341 -17.1341 -13.2223 -13.2223 -12.5223 -12.5220 -10.4555 -10.4551 -10.0545 -10.0541 -8.3613 -8.3603 -8.2102 -8.2096 -6.1613 -6.1609 -5.0754 -5.0742 -3.9294 -3.9240 -3.4963 -3.4926 -3.2936 -3.2858 -2.7198 -2.7145 -1.2729 -1.2349 -0.5193 -0.4723 -0.4280 -0.4229 0.3968 0.4519 0.7725 0.8041 1.0510 1.1155 1.3287 1.4263 1.5785 1.6682 5.2801 5.2946 5.4487 5.4600 5.7658 5.8096 6.1542 6.1934 k = 0.3472 0.0992 0.6218 ( 6379 PWs) bands (ev): -17.1353 -17.1353 -13.2195 -13.2195 -12.5253 -12.5250 -10.4616 -10.4611 -10.0469 -10.0465 -8.3661 -8.3650 -8.2101 -8.2095 -6.1595 -6.1591 -5.0780 -5.0767 -3.9347 -3.9286 -3.4923 -3.4882 -3.2822 -3.2742 -2.7123 -2.7070 -1.2650 -1.2245 -0.5069 -0.4596 -0.4356 -0.4292 0.4076 0.4690 0.7738 0.8088 1.0429 1.1133 1.3274 1.4327 1.5696 1.6691 5.2760 5.2914 5.4386 5.4507 5.7559 5.8033 6.1457 6.1884 k = 0.3333 0.0952 0.5969 ( 6382 PWs) bands (ev): -17.1367 -17.1367 -13.2165 -13.2164 -12.5285 -12.5282 -10.4680 -10.4675 -10.0389 -10.0384 -8.3711 -8.3700 -8.2100 -8.2095 -6.1576 -6.1572 -5.0807 -5.0794 -3.9406 -3.9339 -3.4880 -3.4837 -3.2695 -3.2615 -2.7038 -2.6986 -1.2565 -1.2139 -0.4952 -0.4571 -0.4425 -0.4245 0.4185 0.4865 0.7750 0.8143 1.0345 1.1107 1.3269 1.4392 1.5606 1.6698 5.2716 5.2878 5.4281 5.4409 5.7457 5.7964 6.1370 6.1829 k = 0.3194 0.0912 0.5721 ( 6383 PWs) bands (ev): -17.1381 -17.1381 -13.2133 -13.2133 -12.5318 -12.5316 -10.4747 -10.4741 -10.0305 -10.0300 -8.3763 -8.3752 -8.2101 -8.2095 -6.1556 -6.1552 -5.0836 -5.0822 -3.9473 -3.9400 -3.4837 -3.4791 -3.2557 -3.2478 -2.6943 -2.6892 -1.2477 -1.2034 -0.4879 -0.4642 -0.4455 -0.4088 0.4291 0.5040 0.7760 0.8210 1.0260 1.1078 1.3272 1.4458 1.5516 1.6706 5.2669 5.2837 5.4172 5.4307 5.7353 5.7889 6.1280 6.1769 k = 0.3056 0.0873 0.5472 ( 6385 PWs) bands (ev): -17.1396 -17.1396 -13.2100 -13.2100 -12.5353 -12.5350 -10.4815 -10.4809 -10.0217 -10.0213 -8.3817 -8.3806 -8.2102 -8.2096 -6.1534 -6.1530 -5.0865 -5.0851 -3.9545 -3.9467 -3.4791 -3.4743 -3.2409 -3.2331 -2.6837 -2.6788 -1.2387 -1.1929 -0.4902 -0.4745 -0.4385 -0.3897 0.4390 0.5212 0.7767 0.8288 1.0173 1.1045 1.3284 1.4524 1.5430 1.6714 5.2619 5.2792 5.4063 5.4204 5.7249 5.7809 6.1187 6.1704 k = 0.2917 0.0833 0.5223 ( 6385 PWs) bands (ev): -17.1411 -17.1411 -13.2066 -13.2065 -12.5389 -12.5386 -10.4885 -10.4879 -10.0127 -10.0123 -8.3873 -8.3862 -8.2103 -8.2098 -6.1511 -6.1507 -5.0896 -5.0881 -3.9623 -3.9540 -3.4745 -3.4695 -3.2252 -3.2176 -2.6721 -2.6674 -1.2295 -1.1826 -0.4993 -0.4866 -0.4238 -0.3690 0.4482 0.5375 0.7773 0.8379 1.0086 1.1011 1.3303 1.4585 1.5351 1.6723 5.2567 5.2742 5.3954 5.4100 5.7146 5.7726 6.1092 6.1635 k = 0.2778 0.0793 0.4975 ( 6388 PWs) bands (ev): -17.1427 -17.1427 -13.2031 -13.2031 -12.5425 -12.5422 -10.4956 -10.4950 -10.0035 -10.0031 -8.3930 -8.3920 -8.2106 -8.2101 -6.1488 -6.1483 -5.0927 -5.0912 -3.9707 -3.9620 -3.4698 -3.4647 -3.2087 -3.2015 -2.6595 -2.6552 -1.2202 -1.1726 -0.5113 -0.4997 -0.4054 -0.3473 0.4562 0.5528 0.7777 0.8482 0.9999 1.0974 1.3330 1.4637 1.5287 1.6734 5.2513 5.2687 5.3846 5.3997 5.7046 5.7643 6.0994 6.1560 k = 0.2639 0.0754 0.4726 ( 6388 PWs) bands (ev): -17.1443 -17.1442 -13.1995 -13.1995 -12.5461 -12.5458 -10.5027 -10.5021 -9.9942 -9.9938 -8.3988 -8.3978 -8.2109 -8.2104 -6.1463 -6.1459 -5.0958 -5.0943 -3.9794 -3.9703 -3.4649 -3.4597 -3.1918 -3.1849 -2.6460 -2.6421 -1.2109 -1.1629 -0.5246 -0.5135 -0.3852 -0.3249 0.4631 0.5663 0.7785 0.8595 0.9912 1.0935 1.3364 1.4666 1.5252 1.6748 5.2455 5.2627 5.3742 5.3896 5.6951 5.7560 6.0893 6.1479 k = 0.2500 0.0714 0.4477 ( 6392 PWs) bands (ev): -17.1458 -17.1458 -13.1960 -13.1959 -12.5498 -12.5495 -10.5098 -10.5092 -9.9849 -9.9845 -8.4046 -8.4036 -8.2113 -8.2108 -6.1439 -6.1434 -5.0990 -5.0975 -3.9885 -3.9791 -3.4600 -3.4548 -3.1744 -3.1678 -2.6318 -2.6282 -1.2016 -1.1536 -0.5386 -0.5279 -0.3637 -0.3018 0.4688 0.5777 0.7798 0.8716 0.9827 1.0893 1.3403 1.4661 1.5259 1.6765 5.2395 5.2562 5.3642 5.3799 5.6863 5.7479 6.0789 6.1393 k = 0.2361 0.0674 0.4228 ( 6394 PWs) bands (ev): -17.1474 -17.1474 -13.1924 -13.1924 -12.5534 -12.5531 -10.5169 -10.5163 -9.9756 -9.9752 -8.4104 -8.4095 -8.2117 -8.2113 -6.1413 -6.1409 -5.1021 -5.1007 -3.9977 -3.9882 -3.4550 -3.4498 -3.1567 -3.1506 -2.6168 -2.6137 -1.1925 -1.1448 -0.5532 -0.5427 -0.3412 -0.2783 0.4733 0.5865 0.7822 0.8842 0.9744 1.0850 1.3447 1.4622 1.5309 1.6787 5.2333 5.2494 5.3548 5.3708 5.6783 5.7403 6.0681 6.1300 k = 0.2222 0.0635 0.3980 ( 6394 PWs) bands (ev): -17.1490 -17.1490 -13.1889 -13.1888 -12.5570 -12.5567 -10.5238 -10.5232 -9.9663 -9.9660 -8.4162 -8.4153 -8.2122 -8.2118 -6.1388 -6.1383 -5.1053 -5.1038 -4.0070 -3.9975 -3.4500 -3.4449 -3.1390 -3.1333 -2.6014 -2.5987 -1.1835 -1.1364 -0.5680 -0.5577 -0.3180 -0.2546 0.4767 0.5924 0.7859 0.8969 0.9662 1.0803 1.3493 1.4557 1.5395 1.6814 5.2269 5.2421 5.3460 5.3623 5.6714 5.7334 6.0568 6.1200 k = 0.2083 0.0595 0.3731 ( 6389 PWs) bands (ev): -17.1506 -17.1505 -13.1854 -13.1854 -12.5605 -12.5602 -10.5306 -10.5300 -9.9572 -9.9569 -8.4218 -8.4210 -8.2128 -8.2124 -6.1363 -6.1358 -5.1083 -5.1069 -4.0164 -4.0069 -3.4450 -3.4400 -3.1214 -3.1162 -2.5856 -2.5832 -1.1747 -1.1287 -0.5829 -0.5728 -0.2943 -0.2308 0.4791 0.5953 0.7910 0.9094 0.9583 1.0754 1.3540 1.4480 1.5506 1.6846 5.2203 5.2346 5.3380 5.3546 5.6656 5.7273 6.0452 6.1094 k = 0.1944 0.0555 0.3482 ( 6392 PWs) bands (ev): -17.1521 -17.1520 -13.1820 -13.1820 -12.5639 -12.5636 -10.5372 -10.5366 -9.9483 -9.9480 -8.4274 -8.4266 -8.2134 -8.2130 -6.1338 -6.1333 -5.1113 -5.1099 -4.0256 -4.0162 -3.4401 -3.4352 -3.1041 -3.0992 -2.5695 -2.5676 -1.1662 -1.1215 -0.5977 -0.5880 -0.2703 -0.2071 0.4806 0.5952 0.7974 0.9214 0.9506 1.0702 1.3584 1.4396 1.5633 1.6884 5.2136 5.2269 5.3307 5.3478 5.6610 5.7223 6.0331 6.0981 k = 0.1806 0.0516 0.3233 ( 6385 PWs) bands (ev): -17.1535 -17.1535 -13.1787 -13.1787 -12.5672 -12.5669 -10.5435 -10.5429 -9.9398 -9.9395 -8.4327 -8.4319 -8.2140 -8.2136 -6.1313 -6.1309 -5.1142 -5.1129 -4.0346 -4.0255 -3.4353 -3.4305 -3.0871 -3.0827 -2.5535 -2.5519 -1.1580 -1.1149 -0.6124 -0.6030 -0.2462 -0.1837 0.4814 0.5927 0.8049 0.9324 0.9435 1.0647 1.3625 1.4311 1.5774 1.6929 5.2068 5.2191 5.3243 5.3418 5.6577 5.7184 6.0206 6.0860 k = 0.1667 0.0476 0.2985 ( 6382 PWs) bands (ev): -17.1549 -17.1549 -13.1755 -13.1755 -12.5703 -12.5701 -10.5495 -10.5489 -9.9315 -9.9313 -8.4379 -8.4371 -8.2147 -8.2143 -6.1290 -6.1285 -5.1169 -5.1157 -4.0433 -4.0345 -3.4305 -3.4260 -3.0708 -3.0668 -2.5376 -2.5363 -1.1501 -1.1090 -0.6267 -0.6177 -0.2222 -0.1608 0.4817 0.5880 0.8132 0.9352 0.9440 1.0589 1.3660 1.4228 1.5923 1.6980 5.2002 5.2114 5.3187 5.3367 5.6558 5.7158 6.0077 6.0733 k = 0.1528 0.0436 0.2736 ( 6381 PWs) bands (ev): -17.1562 -17.1562 -13.1725 -13.1725 -12.5733 -12.5731 -10.5552 -10.5546 -9.9237 -9.9235 -8.4427 -8.4421 -8.2153 -8.2150 -6.1267 -6.1263 -5.1196 -5.1184 -4.0515 -4.0431 -3.4260 -3.4217 -3.0551 -3.0515 -2.5220 -2.5209 -1.1426 -1.1038 -0.6405 -0.6320 -0.1985 -0.1388 0.4817 0.5818 0.8218 0.9290 0.9528 1.0528 1.3689 1.4148 1.6079 1.7035 5.1936 5.2037 5.3140 5.3325 5.6553 5.7145 5.9944 6.0600 k = 0.1389 0.0397 0.2487 ( 6382 PWs) bands (ev): -17.1575 -17.1575 -13.1697 -13.1697 -12.5761 -12.5758 -10.5605 -10.5600 -9.9163 -9.9161 -8.4473 -8.4467 -8.2160 -8.2157 -6.1246 -6.1242 -5.1220 -5.1209 -4.0593 -4.0514 -3.4217 -3.4176 -3.0403 -3.0371 -2.5070 -2.5061 -1.1354 -1.0992 -0.6537 -0.6457 -0.1752 -0.1178 0.4814 0.5744 0.8305 0.9228 0.9608 1.0465 1.3710 1.4075 1.6238 1.7095 5.1873 5.1964 5.3102 5.3290 5.6563 5.7145 5.9810 6.0460 k = 0.1250 0.0357 0.2239 ( 6386 PWs) bands (ev): -17.1586 -17.1586 -13.1671 -13.1670 -12.5786 -12.5784 -10.5653 -10.5649 -9.9095 -9.9093 -8.4516 -8.4511 -8.2166 -8.2163 -6.1226 -6.1222 -5.1243 -5.1233 -4.0665 -4.0592 -3.4176 -3.4139 -3.0264 -3.0236 -2.4927 -2.4920 -1.1287 -1.0952 -0.6661 -0.6587 -0.1528 -0.0981 0.4812 0.5663 0.8389 0.9170 0.9676 1.0400 1.3724 1.4007 1.6397 1.7156 5.1814 5.1893 5.3072 5.3262 5.6586 5.7157 5.9675 6.0316 k = 0.1111 0.0317 0.1990 ( 6390 PWs) bands (ev): -17.1597 -17.1597 -13.1647 -13.1646 -12.5810 -12.5808 -10.5698 -10.5694 -9.9032 -9.9030 -8.4555 -8.4550 -8.2172 -8.2170 -6.1207 -6.1204 -5.1264 -5.1255 -4.0731 -4.0664 -3.4139 -3.4105 -3.0137 -3.0112 -2.4794 -2.4787 -1.1223 -1.0920 -0.6776 -0.6708 -0.1312 -0.0801 0.4812 0.5578 0.8470 0.9117 0.9731 1.0334 1.3730 1.3948 1.6553 1.7217 5.1758 5.1828 5.3052 5.3239 5.6622 5.7180 5.9542 6.0167 k = 0.0972 0.0278 0.1741 ( 6392 PWs) bands (ev): -17.1607 -17.1607 -13.1625 -13.1625 -12.5831 -12.5829 -10.5738 -10.5734 -9.8976 -9.8974 -8.4590 -8.4586 -8.2178 -8.2176 -6.1191 -6.1188 -5.1282 -5.1274 -4.0789 -4.0729 -3.4104 -3.4074 -3.0021 -3.0000 -2.4671 -2.4664 -1.1165 -1.0894 -0.6881 -0.6819 -0.1109 -0.0639 0.4814 0.5492 0.8545 0.9070 0.9776 1.0269 1.3730 1.3896 1.6704 1.7275 5.1707 5.1767 5.3040 5.3221 5.6672 5.7210 5.9414 6.0015 k = 0.0833 0.0238 0.1492 ( 6391 PWs) bands (ev): -17.1615 -17.1615 -13.1606 -13.1606 -12.5849 -12.5848 -10.5773 -10.5770 -9.8926 -9.8925 -8.4621 -8.4618 -8.2183 -8.2181 -6.1176 -6.1173 -5.1299 -5.1292 -4.0840 -4.0788 -3.4073 -3.4047 -2.9918 -2.9900 -2.4561 -2.4554 -1.1110 -1.0874 -0.6973 -0.6920 -0.0921 -0.0500 0.4821 0.5408 0.8613 0.9028 0.9811 1.0205 1.3725 1.3852 1.6845 1.7328 5.1662 5.1713 5.3036 5.3205 5.6734 5.7245 5.9295 5.9862 k = 0.0694 0.0198 0.1244 ( 6389 PWs) bands (ev): -17.1622 -17.1622 -13.1589 -13.1589 -12.5865 -12.5864 -10.5803 -10.5800 -9.8883 -9.8882 -8.4648 -8.4645 -8.2188 -8.2186 -6.1163 -6.1161 -5.1312 -5.1307 -4.0884 -4.0839 -3.4046 -3.4024 -2.9830 -2.9815 -2.4464 -2.4459 -1.1061 -1.0862 -0.7053 -0.7007 -0.0749 -0.0384 0.4833 0.5326 0.8674 0.8993 0.9837 1.0145 1.3717 1.3816 1.6975 1.7372 5.1623 5.1665 5.3039 5.3190 5.6806 5.7278 5.9191 5.9711 k = 0.0556 0.0159 0.0995 ( 6393 PWs) bands (ev): -17.1628 -17.1628 -13.1576 -13.1576 -12.5878 -12.5877 -10.5828 -10.5826 -9.8847 -9.8847 -8.4670 -8.4668 -8.2191 -8.2190 -6.1153 -6.1151 -5.1324 -5.1319 -4.0919 -4.0882 -3.4023 -3.4005 -2.9756 -2.9744 -2.4383 -2.4378 -1.1016 -1.0855 -0.7119 -0.7082 -0.0597 -0.0295 0.4851 0.5248 0.8727 0.8962 0.9858 1.0089 1.3709 1.3785 1.7092 1.7405 5.1591 5.1624 5.3048 5.3176 5.6886 5.7304 5.9108 5.9564 k = 0.0417 0.0119 0.0746 ( 6392 PWs) bands (ev): -17.1633 -17.1633 -13.1565 -13.1565 -12.5888 -12.5888 -10.5847 -10.5846 -9.8819 -9.8819 -8.4687 -8.4685 -8.2194 -8.2193 -6.1144 -6.1143 -5.1333 -5.1329 -4.0945 -4.0918 -3.4005 -3.3991 -2.9697 -2.9689 -2.4319 -2.4315 -1.0977 -1.0855 -0.7169 -0.7141 -0.0466 -0.0233 0.4876 0.5175 0.8771 0.8936 0.9876 1.0040 1.3703 1.3760 1.7193 1.7426 5.1567 5.1591 5.3060 5.3162 5.6972 5.7314 5.9054 5.9425 k = 0.0278 0.0079 0.0497 ( 6390 PWs) bands (ev): -17.1636 -17.1636 -13.1557 -13.1557 -12.5896 -12.5895 -10.5861 -10.5860 -9.8799 -9.8799 -8.4699 -8.4698 -8.2197 -8.2196 -6.1138 -6.1137 -5.1339 -5.1337 -4.0963 -4.0944 -3.3991 -3.3982 -2.9655 -2.9649 -2.4272 -2.4269 -1.0943 -1.0861 -0.7205 -0.7186 -0.0359 -0.0201 0.4908 0.5108 0.8809 0.8912 0.9893 0.9998 1.3701 1.3740 1.7277 1.7431 5.1550 5.1566 5.3076 5.3146 5.7059 5.7303 5.9034 5.9298 k = 0.0139 0.0040 0.0249 ( 6385 PWs) bands (ev): -17.1638 -17.1638 -13.1553 -13.1553 -12.5900 -12.5900 -10.5869 -10.5869 -9.8787 -9.8787 -8.4707 -8.4706 -8.2198 -8.2197 -6.1134 -6.1134 -5.1342 -5.1341 -4.0971 -4.0962 -3.3981 -3.3977 -2.9628 -2.9625 -2.4243 -2.4242 -1.0914 -1.0873 -0.7224 -0.7215 -0.0277 -0.0197 0.4948 0.5048 0.8840 0.8890 0.9911 0.9962 1.3704 1.3723 1.7343 1.7420 5.1542 5.1550 5.3094 5.3130 5.7141 5.7269 5.9052 5.9189 k = 0.0000 0.0000 0.0000 ( 6367 PWs) bands (ev): -17.1639 -17.1639 -13.1551 -13.1551 -12.5901 -12.5901 -10.5872 -10.5872 -9.8783 -9.8783 -8.4709 -8.4709 -8.2198 -8.2198 -6.1132 -6.1132 -5.1343 -5.1343 -4.0971 -4.0971 -3.3977 -3.3977 -2.9618 -2.9618 -2.4233 -2.4233 -1.0891 -1.0891 -0.7228 -0.7228 -0.0223 -0.0223 0.4994 0.4994 0.8866 0.8866 0.9934 0.9934 1.3711 1.3711 1.7390 1.7390 5.1542 5.1542 5.3112 5.3112 5.7214 5.7214 5.9105 5.9105 Writing output data file H3C5I2N.save init_run : 1.48s CPU 1.07s WALL ( 1 calls) electrons : 438.08s CPU 279.17s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.02s WALL ( 1 calls) potinit : 0.10s CPU 0.13s WALL ( 1 calls) Called by electrons: c_bands : 438.06s CPU 279.16s WALL ( 1 calls) v_of_rho : 0.03s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.03s CPU 0.01s WALL ( 1 calls) newd : 0.24s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.56s CPU 0.66s WALL ( 365 calls) cegterg : 355.87s CPU 233.20s WALL ( 365 calls) Called by sum_band: Called by *egterg: h_psi : 353.68s CPU 208.15s WALL ( 5243 calls) s_psi : 8.91s CPU 6.22s WALL ( 5243 calls) g_psi : 0.33s CPU 0.32s WALL ( 4513 calls) cdiaghg : 41.28s CPU 36.53s WALL ( 4878 calls) cegterg:over : 9.12s CPU 7.68s WALL ( 4513 calls) cegterg:upda : 7.67s CPU 6.25s WALL ( 4513 calls) cegterg:last : 3.46s CPU 3.54s WALL ( 1095 calls) cdiaghg:chol : 2.35s CPU 2.15s WALL ( 4878 calls) cdiaghg:inve : 1.44s CPU 1.34s WALL ( 4878 calls) cdiaghg:para : 2.26s CPU 2.08s WALL ( 9756 calls) Called by h_psi: h_psi:vloc : 331.21s CPU 192.22s WALL ( 5243 calls) h_psi:vnl : 22.01s CPU 15.61s WALL ( 5243 calls) add_vuspsi : 11.28s CPU 7.91s WALL ( 5243 calls) General routines calbec : 10.69s CPU 7.68s WALL ( 5243 calls) fft : 0.10s CPU 0.07s WALL ( 19 calls) ffts : 0.02s CPU 0.02s WALL ( 4 calls) fftw : 309.96s CPU 177.35s WALL ( 719200 calls) interpolate : 0.04s CPU 0.02s WALL ( 4 calls) davcio : 0.40s CPU 1.44s WALL ( 730 calls) Parallel routines fft_scatter : 82.72s CPU 55.95s WALL ( 719223 calls) PWSCF : 7m41.90s CPU 5m22.26s WALL This run was terminated on: 2:46:27 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=