Program PWSCF v.5.1.1 starts on 5Dec2015 at 4:55:49 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./Fe2P2O7.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 44 25 7 1694 744 116 Max 45 26 8 1701 769 121 Sum 2157 1247 359 81505 36079 5669 bravais-lattice index = 14 lattice parameter (alat) = 8.4811 a.u. unit-cell volume = 827.6626 (a.u.)^3 number of atoms/cell = 11 number of atomic types = 3 number of electrons = 68.00 number of Kohn-Sham states= 82 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.481090 celldm(2)= 1.170900 celldm(3)= 1.229278 celldm(4)= -0.238703 celldm(5)= -0.144874 celldm(6)= -0.151778 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.177717 1.157335 0.000000 ) a(3) = ( -0.178091 -0.324219 1.172301 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.153557 0.194384 ) b(2) = ( 0.000000 0.864054 0.238968 ) b(3) = ( 0.000000 0.000000 0.853023 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Fe read from file: /home/autes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 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 P read from file: /home/autes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 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 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Fe 8.00 55.84500 Fe( 1.00) P 5.00 30.97380 P( 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: E 1 -E -1 Cartesian axes number of k points= 283 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 -0.4320271 -0.1194841), wk = 0.0035336 k( 2) = ( 0.0000000 -0.4185263 -0.1157502), wk = 0.0035336 k( 3) = ( 0.0000000 -0.4050254 -0.1120163), wk = 0.0035336 k( 4) = ( 0.0000000 -0.3915246 -0.1082824), wk = 0.0035336 k( 5) = ( 0.0000000 -0.3780237 -0.1045486), wk = 0.0035336 k( 6) = ( 0.0000000 -0.3645229 -0.1008147), wk = 0.0035336 k( 7) = ( 0.0000000 -0.3510220 -0.0970808), wk = 0.0035336 k( 8) = ( 0.0000000 -0.3375212 -0.0933469), wk = 0.0035336 k( 9) = ( 0.0000000 -0.3240203 -0.0896131), wk = 0.0035336 k( 10) = ( 0.0000000 -0.3105195 -0.0858792), wk = 0.0035336 k( 11) = ( 0.0000000 -0.2970186 -0.0821453), wk = 0.0035336 k( 12) = ( 0.0000000 -0.2835178 -0.0784114), wk = 0.0035336 k( 13) = ( 0.0000000 -0.2700169 -0.0746775), wk = 0.0035336 k( 14) = ( 0.0000000 -0.2565161 -0.0709437), wk = 0.0035336 k( 15) = ( 0.0000000 -0.2430153 -0.0672098), wk = 0.0035336 k( 16) = ( 0.0000000 -0.2295144 -0.0634759), wk = 0.0035336 k( 17) = ( 0.0000000 -0.2160136 -0.0597420), wk = 0.0035336 k( 18) = ( 0.0000000 -0.2025127 -0.0560082), wk = 0.0035336 k( 19) = ( 0.0000000 -0.1890119 -0.0522743), wk = 0.0035336 k( 20) = ( 0.0000000 -0.1755110 -0.0485404), wk = 0.0035336 k( 21) = ( 0.0000000 -0.1620102 -0.0448065), wk = 0.0035336 k( 22) = ( 0.0000000 -0.1485093 -0.0410726), wk = 0.0035336 k( 23) = ( 0.0000000 -0.1350085 -0.0373388), wk = 0.0035336 k( 24) = ( 0.0000000 -0.1215076 -0.0336049), wk = 0.0035336 k( 25) = ( 0.0000000 -0.1080068 -0.0298710), wk = 0.0035336 k( 26) = ( 0.0000000 -0.0945059 -0.0261371), wk = 0.0035336 k( 27) = ( 0.0000000 -0.0810051 -0.0224033), wk = 0.0035336 k( 28) = ( 0.0000000 -0.0675042 -0.0186694), wk = 0.0035336 k( 29) = ( 0.0000000 -0.0540034 -0.0149355), wk = 0.0035336 k( 30) = ( 0.0000000 -0.0405025 -0.0112016), wk = 0.0035336 k( 31) = ( 0.0000000 -0.0270017 -0.0074678), wk = 0.0035336 k( 32) = ( 0.0000000 -0.0135008 -0.0037339), wk = 0.0035336 k( 33) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035336 k( 34) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035336 k( 35) = ( 0.0135135 0.0020751 0.0026268), wk = 0.0035336 k( 36) = ( 0.0270270 0.0041502 0.0052536), wk = 0.0035336 k( 37) = ( 0.0405405 0.0062253 0.0078804), wk = 0.0035336 k( 38) = ( 0.0540540 0.0083004 0.0105073), wk = 0.0035336 k( 39) = ( 0.0675676 0.0103755 0.0131341), wk = 0.0035336 k( 40) = ( 0.0810811 0.0124506 0.0157609), wk = 0.0035336 k( 41) = ( 0.0945946 0.0145257 0.0183877), wk = 0.0035336 k( 42) = ( 0.1081081 0.0166008 0.0210145), wk = 0.0035336 k( 43) = ( 0.1216216 0.0186759 0.0236413), wk = 0.0035336 k( 44) = ( 0.1351351 0.0207510 0.0262682), wk = 0.0035336 k( 45) = ( 0.1486486 0.0228261 0.0288950), wk = 0.0035336 k( 46) = ( 0.1621622 0.0249012 0.0315218), wk = 0.0035336 k( 47) = ( 0.1756757 0.0269763 0.0341486), wk = 0.0035336 k( 48) = ( 0.1891892 0.0290514 0.0367754), wk = 0.0035336 k( 49) = ( 0.2027027 0.0311265 0.0394022), wk = 0.0035336 k( 50) = ( 0.2162162 0.0332016 0.0420290), wk = 0.0035336 k( 51) = ( 0.2297297 0.0352767 0.0446559), wk = 0.0035336 k( 52) = ( 0.2432432 0.0373518 0.0472827), wk = 0.0035336 k( 53) = ( 0.2567568 0.0394269 0.0499095), wk = 0.0035336 k( 54) = ( 0.2702703 0.0415020 0.0525363), wk = 0.0035336 k( 55) = ( 0.2837838 0.0435771 0.0551631), wk = 0.0035336 k( 56) = ( 0.2972973 0.0456522 0.0577899), wk = 0.0035336 k( 57) = ( 0.3108108 0.0477273 0.0604167), wk = 0.0035336 k( 58) = ( 0.3243243 0.0498024 0.0630436), wk = 0.0035336 k( 59) = ( 0.3378378 0.0518775 0.0656704), wk = 0.0035336 k( 60) = ( 0.3513514 0.0539526 0.0682972), wk = 0.0035336 k( 61) = ( 0.3648649 0.0560277 0.0709240), wk = 0.0035336 k( 62) = ( 0.3783784 0.0581028 0.0735508), wk = 0.0035336 k( 63) = ( 0.3918919 0.0601779 0.0761776), wk = 0.0035336 k( 64) = ( 0.4054054 0.0622530 0.0788045), wk = 0.0035336 k( 65) = ( 0.4189189 0.0643281 0.0814313), wk = 0.0035336 k( 66) = ( 0.4324324 0.0664032 0.0840581), wk = 0.0035336 k( 67) = ( 0.4459459 0.0684783 0.0866849), wk = 0.0035336 k( 68) = ( 0.4594595 0.0705534 0.0893117), wk = 0.0035336 k( 69) = ( 0.4729730 0.0726285 0.0919385), wk = 0.0035336 k( 70) = ( 0.4864865 0.0747036 0.0945653), wk = 0.0035336 k( 71) = ( 0.5000000 0.0767787 0.0971922), wk = 0.0035336 k( 72) = ( 0.5000000 -0.3552484 -0.0222919), wk = 0.0035336 k( 73) = ( 0.4883721 -0.3469868 -0.0217735), wk = 0.0035336 k( 74) = ( 0.4767442 -0.3387252 -0.0212551), wk = 0.0035336 k( 75) = ( 0.4651163 -0.3304636 -0.0207367), wk = 0.0035336 k( 76) = ( 0.4534884 -0.3222020 -0.0202182), wk = 0.0035336 k( 77) = ( 0.4418605 -0.3139405 -0.0196998), wk = 0.0035336 k( 78) = ( 0.4302326 -0.3056789 -0.0191814), wk = 0.0035336 k( 79) = ( 0.4186047 -0.2974173 -0.0186630), wk = 0.0035336 k( 80) = ( 0.4069767 -0.2891557 -0.0181446), wk = 0.0035336 k( 81) = ( 0.3953488 -0.2808941 -0.0176262), wk = 0.0035336 k( 82) = ( 0.3837209 -0.2726325 -0.0171077), wk = 0.0035336 k( 83) = ( 0.3720930 -0.2643709 -0.0165893), wk = 0.0035336 k( 84) = ( 0.3604651 -0.2561093 -0.0160709), wk = 0.0035336 k( 85) = ( 0.3488372 -0.2478477 -0.0155525), wk = 0.0035336 k( 86) = ( 0.3372093 -0.2395861 -0.0150341), wk = 0.0035336 k( 87) = ( 0.3255814 -0.2313245 -0.0145157), wk = 0.0035336 k( 88) = ( 0.3139535 -0.2230630 -0.0139972), wk = 0.0035336 k( 89) = ( 0.3023256 -0.2148014 -0.0134788), wk = 0.0035336 k( 90) = ( 0.2906977 -0.2065398 -0.0129604), wk = 0.0035336 k( 91) = ( 0.2790698 -0.1982782 -0.0124420), wk = 0.0035336 k( 92) = ( 0.2674419 -0.1900166 -0.0119236), wk = 0.0035336 k( 93) = ( 0.2558140 -0.1817550 -0.0114052), wk = 0.0035336 k( 94) = ( 0.2441860 -0.1734934 -0.0108867), wk = 0.0035336 k( 95) = ( 0.2325581 -0.1652318 -0.0103683), wk = 0.0035336 k( 96) = ( 0.2209302 -0.1569702 -0.0098499), wk = 0.0035336 k( 97) = ( 0.2093023 -0.1487086 -0.0093315), wk = 0.0035336 k( 98) = ( 0.1976744 -0.1404470 -0.0088131), wk = 0.0035336 k( 99) = ( 0.1860465 -0.1321855 -0.0082947), wk = 0.0035336 k( 100) = ( 0.1744186 -0.1239239 -0.0077762), wk = 0.0035336 k( 101) = ( 0.1627907 -0.1156623 -0.0072578), wk = 0.0035336 k( 102) = ( 0.1511628 -0.1074007 -0.0067394), wk = 0.0035336 k( 103) = ( 0.1395349 -0.0991391 -0.0062210), wk = 0.0035336 k( 104) = ( 0.1279070 -0.0908775 -0.0057026), wk = 0.0035336 k( 105) = ( 0.1162791 -0.0826159 -0.0051842), wk = 0.0035336 k( 106) = ( 0.1046512 -0.0743543 -0.0046657), wk = 0.0035336 k( 107) = ( 0.0930233 -0.0660927 -0.0041473), wk = 0.0035336 k( 108) = ( 0.0813954 -0.0578311 -0.0036289), wk = 0.0035336 k( 109) = ( 0.0697674 -0.0495695 -0.0031105), wk = 0.0035336 k( 110) = ( 0.0581395 -0.0413080 -0.0025921), wk = 0.0035336 k( 111) = ( 0.0465116 -0.0330464 -0.0020737), wk = 0.0035336 k( 112) = ( 0.0348837 -0.0247848 -0.0015552), wk = 0.0035336 k( 113) = ( 0.0232558 -0.0165232 -0.0010368), wk = 0.0035336 k( 114) = ( 0.0116279 -0.0082616 -0.0005184), wk = 0.0035336 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035336 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035336 k( 117) = ( -0.0116279 -0.0017856 0.0076586), wk = 0.0035336 k( 118) = ( -0.0232558 -0.0035711 0.0153172), wk = 0.0035336 k( 119) = ( -0.0348837 -0.0053567 0.0229758), wk = 0.0035336 k( 120) = ( -0.0465116 -0.0071422 0.0306344), wk = 0.0035336 k( 121) = ( -0.0581395 -0.0089278 0.0382929), wk = 0.0035336 k( 122) = ( -0.0697674 -0.0107133 0.0459515), wk = 0.0035336 k( 123) = ( -0.0813954 -0.0124989 0.0536101), wk = 0.0035336 k( 124) = ( -0.0930233 -0.0142844 0.0612687), wk = 0.0035336 k( 125) = ( -0.1046512 -0.0160700 0.0689273), wk = 0.0035336 k( 126) = ( -0.1162791 -0.0178555 0.0765859), wk = 0.0035336 k( 127) = ( -0.1279070 -0.0196411 0.0842445), wk = 0.0035336 k( 128) = ( -0.1395349 -0.0214266 0.0919031), wk = 0.0035336 k( 129) = ( -0.1511628 -0.0232122 0.0995617), wk = 0.0035336 k( 130) = ( -0.1627907 -0.0249977 0.1072203), wk = 0.0035336 k( 131) = ( -0.1744186 -0.0267833 0.1148788), wk = 0.0035336 k( 132) = ( -0.1860465 -0.0285688 0.1225374), wk = 0.0035336 k( 133) = ( -0.1976744 -0.0303544 0.1301960), wk = 0.0035336 k( 134) = ( -0.2093023 -0.0321399 0.1378546), wk = 0.0035336 k( 135) = ( -0.2209302 -0.0339255 0.1455132), wk = 0.0035336 k( 136) = ( -0.2325581 -0.0357110 0.1531718), wk = 0.0035336 k( 137) = ( -0.2441860 -0.0374966 0.1608304), wk = 0.0035336 k( 138) = ( -0.2558140 -0.0392821 0.1684890), wk = 0.0035336 k( 139) = ( -0.2674419 -0.0410677 0.1761476), wk = 0.0035336 k( 140) = ( -0.2790698 -0.0428532 0.1838061), wk = 0.0035336 k( 141) = ( -0.2906977 -0.0446388 0.1914647), wk = 0.0035336 k( 142) = ( -0.3023256 -0.0464243 0.1991233), wk = 0.0035336 k( 143) = ( -0.3139535 -0.0482099 0.2067819), wk = 0.0035336 k( 144) = ( -0.3255814 -0.0499954 0.2144405), wk = 0.0035336 k( 145) = ( -0.3372093 -0.0517810 0.2220991), wk = 0.0035336 k( 146) = ( -0.3488372 -0.0535665 0.2297577), wk = 0.0035336 k( 147) = ( -0.3604651 -0.0553521 0.2374163), wk = 0.0035336 k( 148) = ( -0.3720930 -0.0571376 0.2450749), wk = 0.0035336 k( 149) = ( -0.3837209 -0.0589232 0.2527334), wk = 0.0035336 k( 150) = ( -0.3953488 -0.0607087 0.2603920), wk = 0.0035336 k( 151) = ( -0.4069767 -0.0624943 0.2680506), wk = 0.0035336 k( 152) = ( -0.4186047 -0.0642798 0.2757092), wk = 0.0035336 k( 153) = ( -0.4302326 -0.0660654 0.2833678), wk = 0.0035336 k( 154) = ( -0.4418605 -0.0678509 0.2910264), wk = 0.0035336 k( 155) = ( -0.4534884 -0.0696365 0.2986850), wk = 0.0035336 k( 156) = ( -0.4651163 -0.0714220 0.3063436), wk = 0.0035336 k( 157) = ( -0.4767442 -0.0732076 0.3140022), wk = 0.0035336 k( 158) = ( -0.4883721 -0.0749932 0.3216608), wk = 0.0035336 k( 159) = ( -0.5000000 -0.0767787 0.3293193), wk = 0.0035336 k( 160) = ( -0.5000000 -0.5088058 0.2098353), wk = 0.0035336 k( 161) = ( -0.4905660 -0.4992057 0.2058761), wk = 0.0035336 k( 162) = ( -0.4811321 -0.4896056 0.2019170), wk = 0.0035336 k( 163) = ( -0.4716981 -0.4800055 0.1979578), wk = 0.0035336 k( 164) = ( -0.4622641 -0.4704054 0.1939986), wk = 0.0035336 k( 165) = ( -0.4528302 -0.4608053 0.1900395), wk = 0.0035336 k( 166) = ( -0.4433962 -0.4512052 0.1860803), wk = 0.0035336 k( 167) = ( -0.4339623 -0.4416050 0.1821212), wk = 0.0035336 k( 168) = ( -0.4245283 -0.4320049 0.1781620), wk = 0.0035336 k( 169) = ( -0.4150943 -0.4224048 0.1742029), wk = 0.0035336 k( 170) = ( -0.4056604 -0.4128047 0.1702437), wk = 0.0035336 k( 171) = ( -0.3962264 -0.4032046 0.1662846), wk = 0.0035336 k( 172) = ( -0.3867925 -0.3936045 0.1623254), wk = 0.0035336 k( 173) = ( -0.3773585 -0.3840044 0.1583662), wk = 0.0035336 k( 174) = ( -0.3679245 -0.3744043 0.1544071), wk = 0.0035336 k( 175) = ( -0.3584906 -0.3648042 0.1504479), wk = 0.0035336 k( 176) = ( -0.3490566 -0.3552041 0.1464888), wk = 0.0035336 k( 177) = ( -0.3396226 -0.3456039 0.1425296), wk = 0.0035336 k( 178) = ( -0.3301887 -0.3360038 0.1385705), wk = 0.0035336 k( 179) = ( -0.3207547 -0.3264037 0.1346113), wk = 0.0035336 k( 180) = ( -0.3113207 -0.3168036 0.1306521), wk = 0.0035336 k( 181) = ( -0.3018868 -0.3072035 0.1266930), wk = 0.0035336 k( 182) = ( -0.2924528 -0.2976034 0.1227338), wk = 0.0035336 k( 183) = ( -0.2830189 -0.2880033 0.1187747), wk = 0.0035336 k( 184) = ( -0.2735849 -0.2784032 0.1148155), wk = 0.0035336 k( 185) = ( -0.2641509 -0.2688031 0.1108564), wk = 0.0035336 k( 186) = ( -0.2547170 -0.2592030 0.1068972), wk = 0.0035336 k( 187) = ( -0.2452830 -0.2496029 0.1029381), wk = 0.0035336 k( 188) = ( -0.2358491 -0.2400027 0.0989789), wk = 0.0035336 k( 189) = ( -0.2264151 -0.2304026 0.0950197), wk = 0.0035336 k( 190) = ( -0.2169811 -0.2208025 0.0910606), wk = 0.0035336 k( 191) = ( -0.2075472 -0.2112024 0.0871014), wk = 0.0035336 k( 192) = ( -0.1981132 -0.2016023 0.0831423), wk = 0.0035336 k( 193) = ( -0.1886792 -0.1920022 0.0791831), wk = 0.0035336 k( 194) = ( -0.1792453 -0.1824021 0.0752240), wk = 0.0035336 k( 195) = ( -0.1698113 -0.1728020 0.0712648), wk = 0.0035336 k( 196) = ( -0.1603774 -0.1632019 0.0673057), wk = 0.0035336 k( 197) = ( -0.1509434 -0.1536018 0.0633465), wk = 0.0035336 k( 198) = ( -0.1415094 -0.1440016 0.0593873), wk = 0.0035336 k( 199) = ( -0.1320755 -0.1344015 0.0554282), wk = 0.0035336 k( 200) = ( -0.1226415 -0.1248014 0.0514690), wk = 0.0035336 k( 201) = ( -0.1132076 -0.1152013 0.0475099), wk = 0.0035336 k( 202) = ( -0.1037736 -0.1056012 0.0435507), wk = 0.0035336 k( 203) = ( -0.0943396 -0.0960011 0.0395916), wk = 0.0035336 k( 204) = ( -0.0849057 -0.0864010 0.0356324), wk = 0.0035336 k( 205) = ( -0.0754717 -0.0768009 0.0316732), wk = 0.0035336 k( 206) = ( -0.0660377 -0.0672008 0.0277141), wk = 0.0035336 k( 207) = ( -0.0566038 -0.0576007 0.0237549), wk = 0.0035336 k( 208) = ( -0.0471698 -0.0480005 0.0197958), wk = 0.0035336 k( 209) = ( -0.0377359 -0.0384004 0.0158366), wk = 0.0035336 k( 210) = ( -0.0283019 -0.0288003 0.0118775), wk = 0.0035336 k( 211) = ( -0.0188679 -0.0192002 0.0079183), wk = 0.0035336 k( 212) = ( -0.0094340 -0.0096001 0.0039592), wk = 0.0035336 k( 213) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035336 k( 214) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035336 k( 215) = ( 0.0000000 0.0000000 0.0142171), wk = 0.0035336 k( 216) = ( 0.0000000 0.0000000 0.0284341), wk = 0.0035336 k( 217) = ( 0.0000000 0.0000000 0.0426512), wk = 0.0035336 k( 218) = ( 0.0000000 0.0000000 0.0568682), wk = 0.0035336 k( 219) = ( 0.0000000 0.0000000 0.0710852), wk = 0.0035336 k( 220) = ( 0.0000000 0.0000000 0.0853023), wk = 0.0035336 k( 221) = ( 0.0000000 0.0000000 0.0995194), wk = 0.0035336 k( 222) = ( 0.0000000 0.0000000 0.1137364), wk = 0.0035336 k( 223) = ( 0.0000000 0.0000000 0.1279535), wk = 0.0035336 k( 224) = ( 0.0000000 0.0000000 0.1421705), wk = 0.0035336 k( 225) = ( 0.0000000 0.0000000 0.1563875), wk = 0.0035336 k( 226) = ( 0.0000000 0.0000000 0.1706046), wk = 0.0035336 k( 227) = ( 0.0000000 0.0000000 0.1848217), wk = 0.0035336 k( 228) = ( 0.0000000 0.0000000 0.1990387), wk = 0.0035336 k( 229) = ( 0.0000000 0.0000000 0.2132558), wk = 0.0035336 k( 230) = ( 0.0000000 0.0000000 0.2274728), wk = 0.0035336 k( 231) = ( 0.0000000 0.0000000 0.2416898), wk = 0.0035336 k( 232) = ( 0.0000000 0.0000000 0.2559069), wk = 0.0035336 k( 233) = ( 0.0000000 0.0000000 0.2701240), wk = 0.0035336 k( 234) = ( 0.0000000 0.0000000 0.2843410), wk = 0.0035336 k( 235) = ( 0.0000000 0.0000000 0.2985581), wk = 0.0035336 k( 236) = ( 0.0000000 0.0000000 0.3127751), wk = 0.0035336 k( 237) = ( 0.0000000 0.0000000 0.3269922), wk = 0.0035336 k( 238) = ( 0.0000000 0.0000000 0.3412092), wk = 0.0035336 k( 239) = ( 0.0000000 0.0000000 0.3554263), wk = 0.0035336 k( 240) = ( 0.0000000 0.0000000 0.3696433), wk = 0.0035336 k( 241) = ( 0.0000000 0.0000000 0.3838604), wk = 0.0035336 k( 242) = ( 0.0000000 0.0000000 0.3980774), wk = 0.0035336 k( 243) = ( 0.0000000 0.0000000 0.4122945), wk = 0.0035336 k( 244) = ( 0.0000000 0.0000000 0.4265115), wk = 0.0035336 k( 245) = ( 0.0000000 -0.4320271 0.3070274), wk = 0.0035336 k( 246) = ( 0.0000000 -0.4206580 0.2989478), wk = 0.0035336 k( 247) = ( 0.0000000 -0.4092888 0.2908681), wk = 0.0035336 k( 248) = ( 0.0000000 -0.3979197 0.2827884), wk = 0.0035336 k( 249) = ( 0.0000000 -0.3865506 0.2747088), wk = 0.0035336 k( 250) = ( 0.0000000 -0.3751814 0.2666291), wk = 0.0035336 k( 251) = ( 0.0000000 -0.3638123 0.2585494), wk = 0.0035336 k( 252) = ( 0.0000000 -0.3524432 0.2504697), wk = 0.0035336 k( 253) = ( 0.0000000 -0.3410740 0.2423901), wk = 0.0035336 k( 254) = ( 0.0000000 -0.3297049 0.2343104), wk = 0.0035336 k( 255) = ( 0.0000000 -0.3183358 0.2262307), wk = 0.0035336 k( 256) = ( 0.0000000 -0.3069666 0.2181511), wk = 0.0035336 k( 257) = ( 0.0000000 -0.2955975 0.2100714), wk = 0.0035336 k( 258) = ( 0.0000000 -0.2842284 0.2019917), wk = 0.0035336 k( 259) = ( 0.0000000 -0.2728592 0.1939121), wk = 0.0035336 k( 260) = ( 0.0000000 -0.2614901 0.1858324), wk = 0.0035336 k( 261) = ( 0.0000000 -0.2501210 0.1777527), wk = 0.0035336 k( 262) = ( 0.0000000 -0.2387518 0.1696731), wk = 0.0035336 k( 263) = ( 0.0000000 -0.2273827 0.1615934), wk = 0.0035336 k( 264) = ( 0.0000000 -0.2160136 0.1535137), wk = 0.0035336 k( 265) = ( 0.0000000 -0.2046444 0.1454340), wk = 0.0035336 k( 266) = ( 0.0000000 -0.1932753 0.1373544), wk = 0.0035336 k( 267) = ( 0.0000000 -0.1819062 0.1292747), wk = 0.0035336 k( 268) = ( 0.0000000 -0.1705370 0.1211950), wk = 0.0035336 k( 269) = ( 0.0000000 -0.1591679 0.1131154), wk = 0.0035336 k( 270) = ( 0.0000000 -0.1477987 0.1050357), wk = 0.0035336 k( 271) = ( 0.0000000 -0.1364296 0.0969560), wk = 0.0035336 k( 272) = ( 0.0000000 -0.1250605 0.0888764), wk = 0.0035336 k( 273) = ( 0.0000000 -0.1136913 0.0807967), wk = 0.0035336 k( 274) = ( 0.0000000 -0.1023222 0.0727170), wk = 0.0035336 k( 275) = ( 0.0000000 -0.0909531 0.0646374), wk = 0.0035336 k( 276) = ( 0.0000000 -0.0795839 0.0565577), wk = 0.0035336 k( 277) = ( 0.0000000 -0.0682148 0.0484780), wk = 0.0035336 k( 278) = ( 0.0000000 -0.0568457 0.0403983), wk = 0.0035336 k( 279) = ( 0.0000000 -0.0454765 0.0323187), wk = 0.0035336 k( 280) = ( 0.0000000 -0.0341074 0.0242390), wk = 0.0035336 k( 281) = ( 0.0000000 -0.0227383 0.0161593), wk = 0.0035336 k( 282) = ( 0.0000000 -0.0113691 0.0080797), wk = 0.0035336 k( 283) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035336 cryst. coord. k( 1) = ( 0.0000000 -0.5000000 -0.0000000), wk = 0.0035336 k( 2) = ( 0.0000000 -0.4843750 0.0000000), wk = 0.0035336 k( 3) = ( 0.0000000 -0.4687500 0.0000000), wk = 0.0035336 k( 4) = ( 0.0000000 -0.4531250 -0.0000000), wk = 0.0035336 k( 5) = ( 0.0000000 -0.4375000 0.0000000), wk = 0.0035336 k( 6) = ( 0.0000000 -0.4218750 -0.0000000), wk = 0.0035336 k( 7) = ( 0.0000000 -0.4062500 0.0000000), wk = 0.0035336 k( 8) = ( 0.0000000 -0.3906250 0.0000000), wk = 0.0035336 k( 9) = ( 0.0000000 -0.3750000 0.0000000), wk = 0.0035336 k( 10) = ( 0.0000000 -0.3593750 0.0000000), wk = 0.0035336 k( 11) = ( 0.0000000 -0.3437500 0.0000000), wk = 0.0035336 k( 12) = ( 0.0000000 -0.3281250 0.0000000), wk = 0.0035336 k( 13) = ( 0.0000000 -0.3125000 0.0000000), wk = 0.0035336 k( 14) = ( 0.0000000 -0.2968750 -0.0000000), wk = 0.0035336 k( 15) = ( 0.0000000 -0.2812500 0.0000000), wk = 0.0035336 k( 16) = ( 0.0000000 -0.2656250 -0.0000000), wk = 0.0035336 k( 17) = ( 0.0000000 -0.2500000 -0.0000000), wk = 0.0035336 k( 18) = ( 0.0000000 -0.2343750 0.0000000), wk = 0.0035336 k( 19) = ( 0.0000000 -0.2187500 0.0000000), wk = 0.0035336 k( 20) = ( 0.0000000 -0.2031250 0.0000000), wk = 0.0035336 k( 21) = ( 0.0000000 -0.1875000 0.0000000), wk = 0.0035336 k( 22) = ( 0.0000000 -0.1718750 0.0000000), wk = 0.0035336 k( 23) = ( 0.0000000 -0.1562500 0.0000000), wk = 0.0035336 k( 24) = ( 0.0000000 -0.1406250 0.0000000), wk = 0.0035336 k( 25) = ( 0.0000000 -0.1250000 -0.0000000), wk = 0.0035336 k( 26) = ( 0.0000000 -0.1093750 0.0000000), wk = 0.0035336 k( 27) = ( 0.0000000 -0.0937500 0.0000000), wk = 0.0035336 k( 28) = ( 0.0000000 -0.0781250 0.0000000), wk = 0.0035336 k( 29) = ( 0.0000000 -0.0625000 -0.0000000), wk = 0.0035336 k( 30) = ( 0.0000000 -0.0468750 0.0000000), wk = 0.0035336 k( 31) = ( 0.0000000 -0.0312500 -0.0000000), wk = 0.0035336 k( 32) = ( 0.0000000 -0.0156250 -0.0000000), wk = 0.0035336 k( 33) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035336 k( 34) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035336 k( 35) = ( 0.0135135 0.0000000 0.0000000), wk = 0.0035336 k( 36) = ( 0.0270270 0.0000000 -0.0000000), wk = 0.0035336 k( 37) = ( 0.0405405 0.0000000 -0.0000000), wk = 0.0035336 k( 38) = ( 0.0540540 0.0000000 0.0000000), wk = 0.0035336 k( 39) = ( 0.0675676 0.0000000 -0.0000000), wk = 0.0035336 k( 40) = ( 0.0810811 0.0000000 -0.0000000), wk = 0.0035336 k( 41) = ( 0.0945946 0.0000000 -0.0000000), wk = 0.0035336 k( 42) = ( 0.1081081 0.0000000 0.0000000), wk = 0.0035336 k( 43) = ( 0.1216216 0.0000000 0.0000000), wk = 0.0035336 k( 44) = ( 0.1351351 0.0000000 -0.0000000), wk = 0.0035336 k( 45) = ( 0.1486486 0.0000000 0.0000000), wk = 0.0035336 k( 46) = ( 0.1621622 0.0000000 -0.0000000), wk = 0.0035336 k( 47) = ( 0.1756757 0.0000000 -0.0000000), wk = 0.0035336 k( 48) = ( 0.1891892 0.0000000 0.0000000), wk = 0.0035336 k( 49) = ( 0.2027027 0.0000000 -0.0000000), wk = 0.0035336 k( 50) = ( 0.2162162 0.0000000 0.0000000), wk = 0.0035336 k( 51) = ( 0.2297297 0.0000000 -0.0000000), wk = 0.0035336 k( 52) = ( 0.2432432 0.0000000 0.0000000), wk = 0.0035336 k( 53) = ( 0.2567568 0.0000000 0.0000000), wk = 0.0035336 k( 54) = ( 0.2702703 0.0000000 -0.0000000), wk = 0.0035336 k( 55) = ( 0.2837838 0.0000000 0.0000000), wk = 0.0035336 k( 56) = ( 0.2972973 0.0000000 0.0000000), wk = 0.0035336 k( 57) = ( 0.3108108 0.0000000 0.0000000), wk = 0.0035336 k( 58) = ( 0.3243243 0.0000000 -0.0000000), wk = 0.0035336 k( 59) = ( 0.3378378 0.0000000 0.0000000), wk = 0.0035336 k( 60) = ( 0.3513514 -0.0000000 -0.0000000), wk = 0.0035336 k( 61) = ( 0.3648649 0.0000000 0.0000000), wk = 0.0035336 k( 62) = ( 0.3783784 0.0000000 0.0000000), wk = 0.0035336 k( 63) = ( 0.3918919 0.0000000 -0.0000000), wk = 0.0035336 k( 64) = ( 0.4054054 0.0000000 -0.0000000), wk = 0.0035336 k( 65) = ( 0.4189189 0.0000000 0.0000000), wk = 0.0035336 k( 66) = ( 0.4324324 0.0000000 0.0000000), wk = 0.0035336 k( 67) = ( 0.4459459 0.0000000 0.0000000), wk = 0.0035336 k( 68) = ( 0.4594595 0.0000000 -0.0000000), wk = 0.0035336 k( 69) = ( 0.4729730 0.0000000 -0.0000000), wk = 0.0035336 k( 70) = ( 0.4864865 0.0000000 0.0000000), wk = 0.0035336 k( 71) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0035336 k( 72) = ( 0.5000000 -0.5000000 -0.0000000), wk = 0.0035336 k( 73) = ( 0.4883721 -0.4883721 0.0000000), wk = 0.0035336 k( 74) = ( 0.4767442 -0.4767442 -0.0000000), wk = 0.0035336 k( 75) = ( 0.4651163 -0.4651163 -0.0000000), wk = 0.0035336 k( 76) = ( 0.4534884 -0.4534884 0.0000000), wk = 0.0035336 k( 77) = ( 0.4418605 -0.4418605 -0.0000000), wk = 0.0035336 k( 78) = ( 0.4302326 -0.4302326 -0.0000000), wk = 0.0035336 k( 79) = ( 0.4186047 -0.4186047 -0.0000000), wk = 0.0035336 k( 80) = ( 0.4069767 -0.4069767 -0.0000000), wk = 0.0035336 k( 81) = ( 0.3953488 -0.3953488 -0.0000000), wk = 0.0035336 k( 82) = ( 0.3837209 -0.3837209 -0.0000000), wk = 0.0035336 k( 83) = ( 0.3720930 -0.3720930 -0.0000000), wk = 0.0035336 k( 84) = ( 0.3604651 -0.3604651 0.0000000), wk = 0.0035336 k( 85) = ( 0.3488372 -0.3488372 -0.0000000), wk = 0.0035336 k( 86) = ( 0.3372093 -0.3372093 -0.0000000), wk = 0.0035336 k( 87) = ( 0.3255814 -0.3255814 -0.0000000), wk = 0.0035336 k( 88) = ( 0.3139535 -0.3139535 -0.0000000), wk = 0.0035336 k( 89) = ( 0.3023256 -0.3023256 -0.0000000), wk = 0.0035336 k( 90) = ( 0.2906977 -0.2906977 0.0000000), wk = 0.0035336 k( 91) = ( 0.2790698 -0.2790698 0.0000000), wk = 0.0035336 k( 92) = ( 0.2674419 -0.2674419 -0.0000000), wk = 0.0035336 k( 93) = ( 0.2558140 -0.2558140 -0.0000000), wk = 0.0035336 k( 94) = ( 0.2441860 -0.2441860 -0.0000000), wk = 0.0035336 k( 95) = ( 0.2325581 -0.2325581 -0.0000000), wk = 0.0035336 k( 96) = ( 0.2209302 -0.2209302 -0.0000000), wk = 0.0035336 k( 97) = ( 0.2093023 -0.2093023 -0.0000000), wk = 0.0035336 k( 98) = ( 0.1976744 -0.1976744 -0.0000000), wk = 0.0035336 k( 99) = ( 0.1860465 -0.1860465 -0.0000000), wk = 0.0035336 k( 100) = ( 0.1744186 -0.1744186 -0.0000000), wk = 0.0035336 k( 101) = ( 0.1627907 -0.1627907 -0.0000000), wk = 0.0035336 k( 102) = ( 0.1511628 -0.1511628 -0.0000000), wk = 0.0035336 k( 103) = ( 0.1395349 -0.1395349 -0.0000000), wk = 0.0035336 k( 104) = ( 0.1279070 -0.1279070 -0.0000000), wk = 0.0035336 k( 105) = ( 0.1162791 -0.1162791 -0.0000000), wk = 0.0035336 k( 106) = ( 0.1046512 -0.1046512 0.0000000), wk = 0.0035336 k( 107) = ( 0.0930233 -0.0930233 -0.0000000), wk = 0.0035336 k( 108) = ( 0.0813954 -0.0813954 -0.0000000), wk = 0.0035336 k( 109) = ( 0.0697674 -0.0697674 -0.0000000), wk = 0.0035336 k( 110) = ( 0.0581395 -0.0581395 -0.0000000), wk = 0.0035336 k( 111) = ( 0.0465116 -0.0465116 -0.0000000), wk = 0.0035336 k( 112) = ( 0.0348837 -0.0348837 -0.0000000), wk = 0.0035336 k( 113) = ( 0.0232558 -0.0232558 -0.0000000), wk = 0.0035336 k( 114) = ( 0.0116279 -0.0116279 -0.0000000), wk = 0.0035336 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035336 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035336 k( 117) = ( -0.0116279 0.0000000 0.0116279), wk = 0.0035336 k( 118) = ( -0.0232558 0.0000000 0.0232558), wk = 0.0035336 k( 119) = ( -0.0348837 0.0000000 0.0348837), wk = 0.0035336 k( 120) = ( -0.0465116 0.0000000 0.0465116), wk = 0.0035336 k( 121) = ( -0.0581395 0.0000000 0.0581395), wk = 0.0035336 k( 122) = ( -0.0697674 0.0000000 0.0697674), wk = 0.0035336 k( 123) = ( -0.0813954 0.0000000 0.0813954), wk = 0.0035336 k( 124) = ( -0.0930233 0.0000000 0.0930233), wk = 0.0035336 k( 125) = ( -0.1046512 0.0000000 0.1046512), wk = 0.0035336 k( 126) = ( -0.1162791 0.0000000 0.1162791), wk = 0.0035336 k( 127) = ( -0.1279070 0.0000000 0.1279070), wk = 0.0035336 k( 128) = ( -0.1395349 0.0000000 0.1395349), wk = 0.0035336 k( 129) = ( -0.1511628 0.0000000 0.1511628), wk = 0.0035336 k( 130) = ( -0.1627907 0.0000000 0.1627907), wk = 0.0035336 k( 131) = ( -0.1744186 -0.0000000 0.1744186), wk = 0.0035336 k( 132) = ( -0.1860465 0.0000000 0.1860465), wk = 0.0035336 k( 133) = ( -0.1976744 -0.0000000 0.1976744), wk = 0.0035336 k( 134) = ( -0.2093023 -0.0000000 0.2093023), wk = 0.0035336 k( 135) = ( -0.2209302 0.0000000 0.2209302), wk = 0.0035336 k( 136) = ( -0.2325581 0.0000000 0.2325581), wk = 0.0035336 k( 137) = ( -0.2441860 0.0000000 0.2441860), wk = 0.0035336 k( 138) = ( -0.2558140 0.0000000 0.2558140), wk = 0.0035336 k( 139) = ( -0.2674419 0.0000000 0.2674419), wk = 0.0035336 k( 140) = ( -0.2790698 0.0000000 0.2790698), wk = 0.0035336 k( 141) = ( -0.2906977 0.0000000 0.2906977), wk = 0.0035336 k( 142) = ( -0.3023256 0.0000000 0.3023256), wk = 0.0035336 k( 143) = ( -0.3139535 -0.0000000 0.3139535), wk = 0.0035336 k( 144) = ( -0.3255814 0.0000000 0.3255814), wk = 0.0035336 k( 145) = ( -0.3372093 -0.0000000 0.3372093), wk = 0.0035336 k( 146) = ( -0.3488372 0.0000000 0.3488372), wk = 0.0035336 k( 147) = ( -0.3604651 0.0000000 0.3604651), wk = 0.0035336 k( 148) = ( -0.3720930 0.0000000 0.3720930), wk = 0.0035336 k( 149) = ( -0.3837209 0.0000000 0.3837209), wk = 0.0035336 k( 150) = ( -0.3953488 -0.0000000 0.3953488), wk = 0.0035336 k( 151) = ( -0.4069767 -0.0000000 0.4069767), wk = 0.0035336 k( 152) = ( -0.4186047 0.0000000 0.4186047), wk = 0.0035336 k( 153) = ( -0.4302326 0.0000000 0.4302326), wk = 0.0035336 k( 154) = ( -0.4418605 0.0000000 0.4418605), wk = 0.0035336 k( 155) = ( -0.4534884 0.0000000 0.4534884), wk = 0.0035336 k( 156) = ( -0.4651163 0.0000000 0.4651163), wk = 0.0035336 k( 157) = ( -0.4767442 -0.0000000 0.4767442), wk = 0.0035336 k( 158) = ( -0.4883721 0.0000000 0.4883721), wk = 0.0035336 k( 159) = ( -0.5000000 0.0000000 0.5000000), wk = 0.0035336 k( 160) = ( -0.5000000 -0.5000000 0.5000000), wk = 0.0035336 k( 161) = ( -0.4905660 -0.4905660 0.4905660), wk = 0.0035336 k( 162) = ( -0.4811321 -0.4811321 0.4811321), wk = 0.0035336 k( 163) = ( -0.4716981 -0.4716981 0.4716981), wk = 0.0035336 k( 164) = ( -0.4622641 -0.4622641 0.4622641), wk = 0.0035336 k( 165) = ( -0.4528302 -0.4528302 0.4528302), wk = 0.0035336 k( 166) = ( -0.4433962 -0.4433962 0.4433962), wk = 0.0035336 k( 167) = ( -0.4339623 -0.4339623 0.4339623), wk = 0.0035336 k( 168) = ( -0.4245283 -0.4245283 0.4245283), wk = 0.0035336 k( 169) = ( -0.4150943 -0.4150943 0.4150943), wk = 0.0035336 k( 170) = ( -0.4056604 -0.4056604 0.4056604), wk = 0.0035336 k( 171) = ( -0.3962264 -0.3962264 0.3962264), wk = 0.0035336 k( 172) = ( -0.3867925 -0.3867925 0.3867925), wk = 0.0035336 k( 173) = ( -0.3773585 -0.3773585 0.3773585), wk = 0.0035336 k( 174) = ( -0.3679245 -0.3679245 0.3679245), wk = 0.0035336 k( 175) = ( -0.3584906 -0.3584906 0.3584906), wk = 0.0035336 k( 176) = ( -0.3490566 -0.3490566 0.3490566), wk = 0.0035336 k( 177) = ( -0.3396226 -0.3396226 0.3396226), wk = 0.0035336 k( 178) = ( -0.3301887 -0.3301887 0.3301887), wk = 0.0035336 k( 179) = ( -0.3207547 -0.3207547 0.3207547), wk = 0.0035336 k( 180) = ( -0.3113207 -0.3113207 0.3113208), wk = 0.0035336 k( 181) = ( -0.3018868 -0.3018868 0.3018868), wk = 0.0035336 k( 182) = ( -0.2924528 -0.2924528 0.2924528), wk = 0.0035336 k( 183) = ( -0.2830189 -0.2830189 0.2830189), wk = 0.0035336 k( 184) = ( -0.2735849 -0.2735849 0.2735849), wk = 0.0035336 k( 185) = ( -0.2641509 -0.2641509 0.2641509), wk = 0.0035336 k( 186) = ( -0.2547170 -0.2547170 0.2547170), wk = 0.0035336 k( 187) = ( -0.2452830 -0.2452830 0.2452830), wk = 0.0035336 k( 188) = ( -0.2358491 -0.2358491 0.2358491), wk = 0.0035336 k( 189) = ( -0.2264151 -0.2264151 0.2264151), wk = 0.0035336 k( 190) = ( -0.2169811 -0.2169811 0.2169811), wk = 0.0035336 k( 191) = ( -0.2075472 -0.2075472 0.2075472), wk = 0.0035336 k( 192) = ( -0.1981132 -0.1981132 0.1981132), wk = 0.0035336 k( 193) = ( -0.1886792 -0.1886792 0.1886792), wk = 0.0035336 k( 194) = ( -0.1792453 -0.1792453 0.1792453), wk = 0.0035336 k( 195) = ( -0.1698113 -0.1698113 0.1698113), wk = 0.0035336 k( 196) = ( -0.1603774 -0.1603774 0.1603774), wk = 0.0035336 k( 197) = ( -0.1509434 -0.1509434 0.1509434), wk = 0.0035336 k( 198) = ( -0.1415094 -0.1415094 0.1415094), wk = 0.0035336 k( 199) = ( -0.1320755 -0.1320755 0.1320755), wk = 0.0035336 k( 200) = ( -0.1226415 -0.1226415 0.1226415), wk = 0.0035336 k( 201) = ( -0.1132076 -0.1132076 0.1132076), wk = 0.0035336 k( 202) = ( -0.1037736 -0.1037736 0.1037736), wk = 0.0035336 k( 203) = ( -0.0943396 -0.0943396 0.0943396), wk = 0.0035336 k( 204) = ( -0.0849057 -0.0849057 0.0849057), wk = 0.0035336 k( 205) = ( -0.0754717 -0.0754717 0.0754717), wk = 0.0035336 k( 206) = ( -0.0660377 -0.0660377 0.0660377), wk = 0.0035336 k( 207) = ( -0.0566038 -0.0566038 0.0566038), wk = 0.0035336 k( 208) = ( -0.0471698 -0.0471698 0.0471698), wk = 0.0035336 k( 209) = ( -0.0377359 -0.0377359 0.0377359), wk = 0.0035336 k( 210) = ( -0.0283019 -0.0283019 0.0283019), wk = 0.0035336 k( 211) = ( -0.0188679 -0.0188679 0.0188679), wk = 0.0035336 k( 212) = ( -0.0094340 -0.0094340 0.0094340), wk = 0.0035336 k( 213) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035336 k( 214) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035336 k( 215) = ( 0.0000000 0.0000000 0.0166667), wk = 0.0035336 k( 216) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0035336 k( 217) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0035336 k( 218) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0035336 k( 219) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0035336 k( 220) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0035336 k( 221) = ( 0.0000000 0.0000000 0.1166667), wk = 0.0035336 k( 222) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0035336 k( 223) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0035336 k( 224) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0035336 k( 225) = ( 0.0000000 0.0000000 0.1833333), wk = 0.0035336 k( 226) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0035336 k( 227) = ( 0.0000000 0.0000000 0.2166667), wk = 0.0035336 k( 228) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0035336 k( 229) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0035336 k( 230) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0035336 k( 231) = ( 0.0000000 0.0000000 0.2833333), wk = 0.0035336 k( 232) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0035336 k( 233) = ( 0.0000000 0.0000000 0.3166667), wk = 0.0035336 k( 234) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0035336 k( 235) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0035336 k( 236) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0035336 k( 237) = ( 0.0000000 0.0000000 0.3833333), wk = 0.0035336 k( 238) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0035336 k( 239) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0035336 k( 240) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0035336 k( 241) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0035336 k( 242) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0035336 k( 243) = ( 0.0000000 0.0000000 0.4833333), wk = 0.0035336 k( 244) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035336 k( 245) = ( 0.0000000 -0.5000000 0.5000000), wk = 0.0035336 k( 246) = ( 0.0000000 -0.4868421 0.4868421), wk = 0.0035336 k( 247) = ( 0.0000000 -0.4736842 0.4736842), wk = 0.0035336 k( 248) = ( 0.0000000 -0.4605263 0.4605263), wk = 0.0035336 k( 249) = ( 0.0000000 -0.4473684 0.4473684), wk = 0.0035336 k( 250) = ( 0.0000000 -0.4342105 0.4342105), wk = 0.0035336 k( 251) = ( 0.0000000 -0.4210526 0.4210526), wk = 0.0035336 k( 252) = ( 0.0000000 -0.4078947 0.4078947), wk = 0.0035336 k( 253) = ( 0.0000000 -0.3947368 0.3947368), wk = 0.0035336 k( 254) = ( 0.0000000 -0.3815789 0.3815789), wk = 0.0035336 k( 255) = ( 0.0000000 -0.3684211 0.3684211), wk = 0.0035336 k( 256) = ( 0.0000000 -0.3552632 0.3552632), wk = 0.0035336 k( 257) = ( 0.0000000 -0.3421053 0.3421053), wk = 0.0035336 k( 258) = ( 0.0000000 -0.3289474 0.3289474), wk = 0.0035336 k( 259) = ( 0.0000000 -0.3157895 0.3157895), wk = 0.0035336 k( 260) = ( 0.0000000 -0.3026316 0.3026316), wk = 0.0035336 k( 261) = ( 0.0000000 -0.2894737 0.2894737), wk = 0.0035336 k( 262) = ( 0.0000000 -0.2763158 0.2763158), wk = 0.0035336 k( 263) = ( 0.0000000 -0.2631579 0.2631579), wk = 0.0035336 k( 264) = ( 0.0000000 -0.2500000 0.2500000), wk = 0.0035336 k( 265) = ( 0.0000000 -0.2368421 0.2368421), wk = 0.0035336 k( 266) = ( 0.0000000 -0.2236842 0.2236842), wk = 0.0035336 k( 267) = ( 0.0000000 -0.2105263 0.2105263), wk = 0.0035336 k( 268) = ( 0.0000000 -0.1973684 0.1973684), wk = 0.0035336 k( 269) = ( 0.0000000 -0.1842105 0.1842105), wk = 0.0035336 k( 270) = ( 0.0000000 -0.1710526 0.1710526), wk = 0.0035336 k( 271) = ( 0.0000000 -0.1578947 0.1578947), wk = 0.0035336 k( 272) = ( 0.0000000 -0.1447368 0.1447368), wk = 0.0035336 k( 273) = ( 0.0000000 -0.1315790 0.1315790), wk = 0.0035336 k( 274) = ( 0.0000000 -0.1184210 0.1184210), wk = 0.0035336 k( 275) = ( 0.0000000 -0.1052632 0.1052632), wk = 0.0035336 k( 276) = ( 0.0000000 -0.0921053 0.0921053), wk = 0.0035336 k( 277) = ( 0.0000000 -0.0789474 0.0789474), wk = 0.0035336 k( 278) = ( 0.0000000 -0.0657895 0.0657895), wk = 0.0035336 k( 279) = ( 0.0000000 -0.0526316 0.0526316), wk = 0.0035336 k( 280) = ( 0.0000000 -0.0394737 0.0394737), wk = 0.0035336 k( 281) = ( 0.0000000 -0.0263158 0.0263158), wk = 0.0035336 k( 282) = ( 0.0000000 -0.0131579 0.0131579), wk = 0.0035336 k( 283) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035336 Dense grid: 81505 G-vectors FFT dimensions: ( 50, 60, 60) Smooth grid: 36079 G-vectors FFT dimensions: ( 40, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.25 Mb ( 198, 82) NL pseudopotentials 0.35 Mb ( 99, 234) Each V/rho on FFT grid 0.09 Mb ( 6000) Each G-vector array 0.01 Mb ( 1695) G-vector shells 0.01 Mb ( 1641) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.99 Mb ( 198, 328) Each subspace H/S matrix 1.64 Mb ( 328, 328) Each matrix 0.59 Mb ( 234, 2, 82) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Fe2P2O7.save/charge-density.dat Starting wfc are 108 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 48.4 secs Computing kpt #: 2 total cpu time spent up to now is 53.0 secs Computing kpt #: 3 total cpu time spent up to now is 57.8 secs Computing kpt #: 4 total cpu time spent up to now is 62.8 secs Computing kpt #: 5 total cpu time spent up to now is 68.0 secs Computing kpt #: 6 total cpu time spent up to now is 72.5 secs Computing kpt #: 7 total cpu time spent up to now is 77.4 secs Computing kpt #: 8 total cpu time spent up to now is 82.3 secs Computing kpt #: 9 total cpu time spent up to now is 87.9 secs Computing kpt #: 10 total cpu time spent up to now is 94.4 secs Computing kpt #: 11 total cpu time spent up to now is 100.2 secs Computing kpt #: 12 total cpu time spent up to now is 105.4 secs Computing kpt #: 13 total cpu time spent up to now is 110.9 secs Computing kpt #: 14 total cpu time spent up to now is 117.8 secs Computing kpt #: 15 total cpu time spent up to now is 124.3 secs Computing kpt #: 16 total cpu time spent up to now is 132.0 secs Computing kpt #: 17 total cpu time spent up to now is 140.0 secs Computing kpt #: 18 total cpu time spent up to now is 149.0 secs Computing kpt #: 19 total cpu time spent up to now is 155.1 secs Computing kpt #: 20 total cpu time spent up to now is 163.7 secs Computing kpt #: 21 total cpu time spent up to now is 170.7 secs Computing kpt #: 22 total cpu time spent up to now is 177.3 secs Computing kpt #: 23 total cpu time spent up to now is 184.8 secs Computing kpt #: 24 total cpu time spent up to now is 192.0 secs Computing kpt #: 25 total cpu time spent up to now is 200.2 secs Computing kpt #: 26 total cpu time spent up to now is 207.2 secs Computing kpt #: 27 total cpu time spent up to now is 214.4 secs Computing kpt #: 28 total cpu time spent up to now is 221.8 secs Computing kpt #: 29 total cpu time spent up to now is 228.9 secs Computing kpt #: 30 total cpu time spent up to now is 235.6 secs Computing kpt #: 31 total cpu time spent up to now is 242.5 secs Computing kpt #: 32 total cpu time spent up to now is 250.2 secs Computing kpt #: 33 total cpu time spent up to now is 257.7 secs Computing kpt #: 34 total cpu time spent up to now is 265.1 secs Computing kpt #: 35 total cpu time spent up to now is 271.7 secs Computing kpt #: 36 total cpu time spent up to now is 278.6 secs Computing kpt #: 37 total cpu time spent up to now is 286.4 secs Computing kpt #: 38 total cpu time spent up to now is 292.9 secs Computing kpt #: 39 total cpu time spent up to now is 299.5 secs Computing kpt #: 40 total cpu time spent up to now is 306.3 secs Computing kpt #: 41 total cpu time spent up to now is 312.0 secs Computing kpt #: 42 total cpu time spent up to now is 318.3 secs Computing kpt #: 43 total cpu time spent up to now is 324.8 secs Computing kpt #: 44 total cpu time spent up to now is 331.1 secs Computing kpt #: 45 total cpu time spent up to now is 337.5 secs Computing kpt #: 46 total cpu time spent up to now is 345.3 secs Computing kpt #: 47 total cpu time spent up to now is 351.4 secs Computing kpt #: 48 total cpu time spent up to now is 358.0 secs Computing kpt #: 49 total cpu time spent up to now is 363.7 secs Computing kpt #: 50 total cpu time spent up to now is 369.4 secs Computing kpt #: 51 total cpu time spent up to now is 374.5 secs Computing kpt #: 52 total cpu time spent up to now is 379.7 secs Computing kpt #: 53 total cpu time spent up to now is 384.7 secs Computing kpt #: 54 total cpu time spent up to now is 389.4 secs Computing kpt #: 55 total cpu time spent up to now is 394.2 secs Computing kpt #: 56 total cpu time spent up to now is 399.3 secs Computing kpt #: 57 total cpu time spent up to now is 404.9 secs Computing kpt #: 58 total cpu time spent up to now is 410.2 secs Computing kpt #: 59 total cpu time spent up to now is 415.6 secs Computing kpt #: 60 total cpu time spent up to now is 420.6 secs Computing kpt #: 61 total cpu time spent up to now is 426.7 secs Computing kpt #: 62 total cpu time spent up to now is 432.9 secs Computing kpt #: 63 total cpu time spent up to now is 438.8 secs Computing kpt #: 64 total cpu time spent up to now is 444.6 secs Computing kpt #: 65 total cpu time spent up to now is 450.0 secs Computing kpt #: 66 total cpu time spent up to now is 457.7 secs Computing kpt #: 67 total cpu time spent up to now is 463.4 secs Computing kpt #: 68 total cpu time spent up to now is 469.1 secs Computing kpt #: 69 total cpu time spent up to now is 474.8 secs Computing kpt #: 70 total cpu time spent up to now is 480.2 secs Computing kpt #: 71 total cpu time spent up to now is 485.0 secs Computing kpt #: 72 total cpu time spent up to now is 491.6 secs Computing kpt #: 73 total cpu time spent up to now is 498.4 secs Computing kpt #: 74 total cpu time spent up to now is 505.2 secs Computing kpt #: 75 total cpu time spent up to now is 511.6 secs Computing kpt #: 76 total cpu time spent up to now is 518.8 secs Computing kpt #: 77 total cpu time spent up to now is 527.0 secs Computing kpt #: 78 total cpu time spent up to now is 533.8 secs Computing kpt #: 79 total cpu time spent up to now is 540.8 secs Computing kpt #: 80 total cpu time spent up to now is 548.1 secs Computing kpt #: 81 total cpu time spent up to now is 554.5 secs Computing kpt #: 82 total cpu time spent up to now is 562.2 secs Computing kpt #: 83 total cpu time spent up to now is 569.4 secs Computing kpt #: 84 total cpu time spent up to now is 576.3 secs Computing kpt #: 85 total cpu time spent up to now is 582.8 secs Computing kpt #: 86 total cpu time spent up to now is 588.9 secs Computing kpt #: 87 total cpu time spent up to now is 595.3 secs Computing kpt #: 88 total cpu time spent up to now is 601.3 secs Computing kpt #: 89 total cpu time spent up to now is 607.8 secs Computing kpt #: 90 total cpu time spent up to now is 613.5 secs Computing kpt #: 91 total cpu time spent up to now is 620.1 secs Computing kpt #: 92 total cpu time spent up to now is 627.1 secs Computing kpt #: 93 total cpu time spent up to now is 632.9 secs Computing kpt #: 94 total cpu time spent up to now is 639.0 secs Computing kpt #: 95 total cpu time spent up to now is 644.7 secs Computing kpt #: 96 total cpu time spent up to now is 651.4 secs Computing kpt #: 97 total cpu time spent up to now is 657.6 secs Computing kpt #: 98 total cpu time spent up to now is 664.0 secs Computing kpt #: 99 total cpu time spent up to now is 670.6 secs Computing kpt #: 100 total cpu time spent up to now is 676.8 secs Computing kpt #: 101 total cpu time spent up to now is 683.6 secs Computing kpt #: 102 total cpu time spent up to now is 689.9 secs Computing kpt #: 103 total cpu time spent up to now is 695.9 secs Computing kpt #: 104 total cpu time spent up to now is 703.2 secs Computing kpt #: 105 total cpu time spent up to now is 710.1 secs Computing kpt #: 106 total cpu time spent up to now is 716.9 secs Computing kpt #: 107 total cpu time spent up to now is 723.5 secs Computing kpt #: 108 total cpu time spent up to now is 730.8 secs Computing kpt #: 109 total cpu time spent up to now is 739.3 secs Computing kpt #: 110 total cpu time spent up to now is 746.1 secs Computing kpt #: 111 total cpu time spent up to now is 753.7 secs Computing kpt #: 112 total cpu time spent up to now is 761.1 secs Computing kpt #: 113 total cpu time spent up to now is 767.9 secs Computing kpt #: 114 total cpu time spent up to now is 774.9 secs Computing kpt #: 115 total cpu time spent up to now is 781.7 secs Computing kpt #: 116 total cpu time spent up to now is 788.6 secs Computing kpt #: 117 total cpu time spent up to now is 797.6 secs Computing kpt #: 118 total cpu time spent up to now is 804.7 secs Computing kpt #: 119 total cpu time spent up to now is 811.6 secs Computing kpt #: 120 total cpu time spent up to now is 818.3 secs Computing kpt #: 121 total cpu time spent up to now is 824.9 secs Computing kpt #: 122 total cpu time spent up to now is 831.7 secs Computing kpt #: 123 total cpu time spent up to now is 838.9 secs Computing kpt #: 124 total cpu time spent up to now is 845.5 secs Computing kpt #: 125 total cpu time spent up to now is 852.8 secs Computing kpt #: 126 total cpu time spent up to now is 858.8 secs Computing kpt #: 127 total cpu time spent up to now is 866.6 secs Computing kpt #: 128 total cpu time spent up to now is 873.5 secs Computing kpt #: 129 total cpu time spent up to now is 878.9 secs Computing kpt #: 130 total cpu time spent up to now is 884.9 secs Computing kpt #: 131 total cpu time spent up to now is 891.0 secs Computing kpt #: 132 total cpu time spent up to now is 896.9 secs Computing kpt #: 133 total cpu time spent up to now is 902.9 secs Computing kpt #: 134 total cpu time spent up to now is 908.8 secs Computing kpt #: 135 total cpu time spent up to now is 914.1 secs Computing kpt #: 136 total cpu time spent up to now is 919.8 secs Computing kpt #: 137 total cpu time spent up to now is 924.9 secs Computing kpt #: 138 total cpu time spent up to now is 930.6 secs Computing kpt #: 139 total cpu time spent up to now is 936.7 secs Computing kpt #: 140 total cpu time spent up to now is 942.2 secs Computing kpt #: 141 total cpu time spent up to now is 947.9 secs Computing kpt #: 142 total cpu time spent up to now is 954.6 secs Computing kpt #: 143 total cpu time spent up to now is 960.3 secs Computing kpt #: 144 total cpu time spent up to now is 966.5 secs Computing kpt #: 145 total cpu time spent up to now is 972.5 secs Computing kpt #: 146 total cpu time spent up to now is 979.3 secs Computing kpt #: 147 total cpu time spent up to now is 985.3 secs Computing kpt #: 148 total cpu time spent up to now is 991.4 secs Computing kpt #: 149 total cpu time spent up to now is 998.8 secs Computing kpt #: 150 total cpu time spent up to now is 1004.9 secs Computing kpt #: 151 total cpu time spent up to now is 1012.2 secs Computing kpt #: 152 total cpu time spent up to now is 1019.4 secs Computing kpt #: 153 total cpu time spent up to now is 1025.7 secs Computing kpt #: 154 total cpu time spent up to now is 1032.8 secs Computing kpt #: 155 total cpu time spent up to now is 1040.0 secs Computing kpt #: 156 total cpu time spent up to now is 1049.4 secs Computing kpt #: 157 total cpu time spent up to now is 1058.0 secs Computing kpt #: 158 total cpu time spent up to now is 1067.0 secs Computing kpt #: 159 total cpu time spent up to now is 1074.4 secs Computing kpt #: 160 total cpu time spent up to now is 1080.4 secs Computing kpt #: 161 total cpu time spent up to now is 1086.2 secs Computing kpt #: 162 total cpu time spent up to now is 1092.7 secs Computing kpt #: 163 total cpu time spent up to now is 1099.4 secs Computing kpt #: 164 total cpu time spent up to now is 1105.0 secs Computing kpt #: 165 total cpu time spent up to now is 1110.4 secs Computing kpt #: 166 total cpu time spent up to now is 1116.2 secs Computing kpt #: 167 total cpu time spent up to now is 1123.1 secs Computing kpt #: 168 total cpu time spent up to now is 1128.6 secs Computing kpt #: 169 total cpu time spent up to now is 1133.6 secs Computing kpt #: 170 total cpu time spent up to now is 1138.9 secs Computing kpt #: 171 total cpu time spent up to now is 1144.4 secs Computing kpt #: 172 total cpu time spent up to now is 1149.9 secs Computing kpt #: 173 total cpu time spent up to now is 1155.5 secs Computing kpt #: 174 total cpu time spent up to now is 1160.8 secs Computing kpt #: 175 total cpu time spent up to now is 1166.3 secs Computing kpt #: 176 total cpu time spent up to now is 1173.3 secs Computing kpt #: 177 total cpu time spent up to now is 1178.5 secs Computing kpt #: 178 total cpu time spent up to now is 1185.0 secs Computing kpt #: 179 total cpu time spent up to now is 1191.1 secs Computing kpt #: 180 total cpu time spent up to now is 1197.5 secs Computing kpt #: 181 total cpu time spent up to now is 1203.1 secs Computing kpt #: 182 total cpu time spent up to now is 1208.9 secs Computing kpt #: 183 total cpu time spent up to now is 1215.3 secs Computing kpt #: 184 total cpu time spent up to now is 1221.3 secs Computing kpt #: 185 total cpu time spent up to now is 1228.4 secs Computing kpt #: 186 total cpu time spent up to now is 1234.9 secs Computing kpt #: 187 total cpu time spent up to now is 1242.1 secs Computing kpt #: 188 total cpu time spent up to now is 1248.1 secs Computing kpt #: 189 total cpu time spent up to now is 1254.5 secs Computing kpt #: 190 total cpu time spent up to now is 1260.7 secs Computing kpt #: 191 total cpu time spent up to now is 1266.2 secs Computing kpt #: 192 total cpu time spent up to now is 1272.8 secs Computing kpt #: 193 total cpu time spent up to now is 1278.5 secs Computing kpt #: 194 total cpu time spent up to now is 1284.8 secs Computing kpt #: 195 total cpu time spent up to now is 1292.3 secs Computing kpt #: 196 total cpu time spent up to now is 1299.0 secs Computing kpt #: 197 total cpu time spent up to now is 1304.9 secs Computing kpt #: 198 total cpu time spent up to now is 1311.1 secs Computing kpt #: 199 total cpu time spent up to now is 1316.7 secs Computing kpt #: 200 total cpu time spent up to now is 1324.5 secs Computing kpt #: 201 total cpu time spent up to now is 1331.5 secs Computing kpt #: 202 total cpu time spent up to now is 1338.4 secs Computing kpt #: 203 total cpu time spent up to now is 1343.8 secs Computing kpt #: 204 total cpu time spent up to now is 1350.4 secs Computing kpt #: 205 total cpu time spent up to now is 1357.3 secs Computing kpt #: 206 total cpu time spent up to now is 1364.3 secs Computing kpt #: 207 total cpu time spent up to now is 1370.8 secs Computing kpt #: 208 total cpu time spent up to now is 1378.1 secs Computing kpt #: 209 total cpu time spent up to now is 1384.5 secs Computing kpt #: 210 total cpu time spent up to now is 1392.2 secs Computing kpt #: 211 total cpu time spent up to now is 1399.0 secs Computing kpt #: 212 total cpu time spent up to now is 1406.0 secs Computing kpt #: 213 total cpu time spent up to now is 1413.3 secs Computing kpt #: 214 total cpu time spent up to now is 1420.0 secs Computing kpt #: 215 total cpu time spent up to now is 1427.0 secs Computing kpt #: 216 total cpu time spent up to now is 1434.1 secs Computing kpt #: 217 total cpu time spent up to now is 1441.7 secs Computing kpt #: 218 total cpu time spent up to now is 1448.0 secs Computing kpt #: 219 total cpu time spent up to now is 1456.3 secs Computing kpt #: 220 total cpu time spent up to now is 1463.7 secs Computing kpt #: 221 total cpu time spent up to now is 1470.6 secs Computing kpt #: 222 total cpu time spent up to now is 1477.4 secs Computing kpt #: 223 total cpu time spent up to now is 1485.3 secs Computing kpt #: 224 total cpu time spent up to now is 1492.3 secs Computing kpt #: 225 total cpu time spent up to now is 1500.2 secs Computing kpt #: 226 total cpu time spent up to now is 1506.8 secs Computing kpt #: 227 total cpu time spent up to now is 1514.3 secs Computing kpt #: 228 total cpu time spent up to now is 1523.9 secs Computing kpt #: 229 total cpu time spent up to now is 1531.0 secs Computing kpt #: 230 total cpu time spent up to now is 1538.6 secs Computing kpt #: 231 total cpu time spent up to now is 1545.0 secs Computing kpt #: 232 total cpu time spent up to now is 1553.4 secs Computing kpt #: 233 total cpu time spent up to now is 1559.7 secs Computing kpt #: 234 total cpu time spent up to now is 1566.6 secs Computing kpt #: 235 total cpu time spent up to now is 1572.2 secs Computing kpt #: 236 total cpu time spent up to now is 1577.9 secs Computing kpt #: 237 total cpu time spent up to now is 1582.9 secs Computing kpt #: 238 total cpu time spent up to now is 1588.2 secs Computing kpt #: 239 total cpu time spent up to now is 1593.6 secs Computing kpt #: 240 total cpu time spent up to now is 1600.1 secs Computing kpt #: 241 total cpu time spent up to now is 1605.6 secs Computing kpt #: 242 total cpu time spent up to now is 1610.6 secs Computing kpt #: 243 total cpu time spent up to now is 1616.0 secs Computing kpt #: 244 total cpu time spent up to now is 1620.9 secs Computing kpt #: 245 total cpu time spent up to now is 1628.3 secs Computing kpt #: 246 total cpu time spent up to now is 1634.6 secs Computing kpt #: 247 total cpu time spent up to now is 1642.5 secs Computing kpt #: 248 total cpu time spent up to now is 1651.3 secs Computing kpt #: 249 total cpu time spent up to now is 1659.6 secs Computing kpt #: 250 total cpu time spent up to now is 1667.0 secs Computing kpt #: 251 total cpu time spent up to now is 1675.3 secs Computing kpt #: 252 total cpu time spent up to now is 1682.6 secs Computing kpt #: 253 total cpu time spent up to now is 1690.8 secs Computing kpt #: 254 total cpu time spent up to now is 1699.3 secs Computing kpt #: 255 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1709.8 secs Computing kpt #: 256 total cpu time spent up to now is 1718.1 secs Computing kpt #: 257 total cpu time spent up to now is 1726.2 secs Computing kpt #: 258 total cpu time spent up to now is 1735.2 secs Computing kpt #: 259 total cpu time spent up to now is 1741.8 secs Computing kpt #: 260 total cpu time spent up to now is 1750.1 secs Computing kpt #: 261 total cpu time spent up to now is 1756.8 secs Computing kpt #: 262 total cpu time spent up to now is 1764.2 secs Computing kpt #: 263 total cpu time spent up to now is 1770.9 secs Computing kpt #: 264 total cpu time spent up to now is 1778.6 secs Computing kpt #: 265 total cpu time spent up to now is 1784.9 secs Computing kpt #: 266 total cpu time spent up to now is 1791.1 secs Computing kpt #: 267 total cpu time spent up to now is 1798.8 secs Computing kpt #: 268 total cpu time spent up to now is 1804.6 secs Computing kpt #: 269 total cpu time spent up to now is 1811.9 secs Computing kpt #: 270 total cpu time spent up to now is 1818.6 secs Computing kpt #: 271 total cpu time spent up to now is 1824.8 secs Computing kpt #: 272 total cpu time spent up to now is 1831.8 secs Computing kpt #: 273 total cpu time spent up to now is 1837.9 secs Computing kpt #: 274 total cpu time spent up to now is 1844.0 secs Computing kpt #: 275 total cpu time spent up to now is 1851.1 secs Computing kpt #: 276 total cpu time spent up to now is 1857.6 secs Computing kpt #: 277 total cpu time spent up to now is 1864.3 secs Computing kpt #: 278 total cpu time spent up to now is 1871.4 secs Computing kpt #: 279 total cpu time spent up to now is 1878.7 secs Computing kpt #: 280 total cpu time spent up to now is 1886.2 secs Computing kpt #: 281 total cpu time spent up to now is 1893.4 secs Computing kpt #: 282 total cpu time spent up to now is 1900.4 secs Computing kpt #: 283 total cpu time spent up to now is 1907.0 secs ethr = 1.47E-11, avg # of iterations = 52.4 total cpu time spent up to now is 1907.2 secs End of band structure calculation k = 0.0000-0.4320-0.1195 ( 4524 PWs) bands (ev): -16.2237 -16.2237 -15.2484 -15.2484 -13.6671 -13.6671 -13.0225 -13.0225 -12.9009 -12.9009 -12.7777 -12.7777 -12.6300 -12.6300 -5.0263 -5.0263 -2.0171 -2.0171 -1.5493 -1.5493 -0.7914 -0.7914 -0.3170 -0.3170 0.0539 0.0539 0.2433 0.2433 0.9895 0.9895 1.2494 1.2494 1.4769 1.4769 1.8604 1.8604 2.1531 2.1531 2.3490 2.3490 2.3778 2.3778 2.8800 2.8800 3.1991 3.1991 3.4555 3.4555 3.6743 3.6743 4.1968 4.1968 4.3885 4.3885 4.4220 4.4220 7.0721 7.0721 7.1129 7.1129 7.3041 7.3041 7.3467 7.3467 7.3966 7.3966 7.4425 7.4425 7.8244 7.8244 7.9094 7.9094 8.3308 8.3308 8.5386 8.5386 11.9635 11.9635 12.4575 12.4575 13.3587 13.3587 k = 0.0000-0.4185-0.1158 ( 4521 PWs) bands (ev): -16.2242 -16.2242 -15.2476 -15.2476 -13.6674 -13.6674 -13.0227 -13.0225 -12.9012 -12.9009 -12.7778 -12.7776 -12.6297 -12.6295 -5.0258 -5.0258 -2.0206 -2.0206 -1.5466 -1.5465 -0.7911 -0.7910 -0.3175 -0.3173 0.0537 0.0539 0.2432 0.2434 0.9839 0.9848 1.2525 1.2544 1.4782 1.4798 1.8597 1.8602 2.1516 2.1524 2.3302 2.3368 2.3907 2.3981 2.8800 2.8804 3.1977 3.1981 3.4558 3.4561 3.6756 3.6760 4.1965 4.1971 4.3883 4.3889 4.4216 4.4228 7.0719 7.0726 7.1123 7.1135 7.3026 7.3053 7.3455 7.3479 7.3951 7.3983 7.4417 7.4436 7.8242 7.8244 7.9091 7.9096 8.3297 8.3304 8.5381 8.5389 11.9501 11.9509 12.4665 12.4674 13.3603 13.3612 k = 0.0000-0.4050-0.1120 ( 4516 PWs) bands (ev): -16.2255 -16.2255 -15.2453 -15.2452 -13.6684 -13.6683 -13.0231 -13.0228 -12.9018 -12.9012 -12.7781 -12.7777 -12.6288 -12.6285 -5.0242 -5.0242 -2.0308 -2.0307 -1.5387 -1.5385 -0.7903 -0.7901 -0.3190 -0.3185 0.0531 0.0535 0.2429 0.2435 0.9692 0.9708 1.2626 1.2662 1.4838 1.4869 1.8578 1.8588 2.1479 2.1495 2.3070 2.3137 2.4167 2.4250 2.8805 2.8812 3.1942 3.1951 3.4570 3.4576 3.6798 3.6805 4.1964 4.1975 4.3882 4.3894 4.4215 4.4240 7.0717 7.0731 7.1120 7.1144 7.3010 7.3063 7.3444 7.3490 7.3939 7.4001 7.4413 7.4450 7.8238 7.8243 7.9087 7.9097 8.3271 8.3284 8.5373 8.5388 11.9136 11.9149 12.4917 12.4934 13.3660 13.3678 k = 0.0000-0.3915-0.1083 ( 4513 PWs) bands (ev): -16.2278 -16.2278 -15.2413 -15.2413 -13.6701 -13.6699 -13.0237 -13.0233 -12.9027 -12.9018 -12.7784 -12.7778 -12.6273 -12.6268 -5.0216 -5.0216 -2.0469 -2.0468 -1.5263 -1.5260 -0.7889 -0.7887 -0.3213 -0.3206 0.0521 0.0527 0.2426 0.2435 0.9480 0.9501 1.2768 1.2818 1.4939 1.4983 1.8547 1.8562 2.1422 2.1446 2.2854 2.2918 2.4438 2.4526 2.8816 2.8827 3.1889 3.1900 3.4589 3.4598 3.6868 3.6878 4.1963 4.1979 4.3880 4.3900 4.4221 4.4258 7.0717 7.0737 7.1117 7.1153 7.2991 7.3068 7.3432 7.3502 7.3931 7.4019 7.4414 7.4467 7.8233 7.8239 7.9082 7.9097 8.3229 8.3249 8.5362 8.5385 11.8601 11.8618 12.5269 12.5292 13.3756 13.3784 k = 0.0000-0.3780-0.1045 ( 4514 PWs) bands (ev): -16.2310 -16.2309 -15.2359 -15.2358 -13.6724 -13.6721 -13.0246 -13.0240 -12.9039 -12.9026 -12.7787 -12.7780 -12.6252 -12.6246 -5.0180 -5.0179 -2.0681 -2.0680 -1.5103 -1.5100 -0.7870 -0.7867 -0.3243 -0.3234 0.0508 0.0516 0.2422 0.2433 0.9228 0.9253 1.2923 1.2983 1.5086 1.5141 1.8502 1.8522 2.1345 2.1376 2.2667 2.2724 2.4708 2.4798 2.8835 2.8849 3.1819 3.1834 3.4615 3.4626 3.6963 3.6976 4.1963 4.1984 4.3876 4.3902 4.4234 4.4282 7.0718 7.0744 7.1116 7.1163 7.2969 7.3070 7.3421 7.3515 7.3926 7.4034 7.4421 7.4485 7.8225 7.8233 7.9077 7.9097 8.3174 8.3199 8.5349 8.5378 11.7951 11.7972 12.5666 12.5694 13.3892 13.3929 k = 0.0000-0.3645-0.1008 ( 4513 PWs) bands (ev): -16.2349 -16.2349 -15.2290 -15.2289 -13.6753 -13.6749 -13.0257 -13.0250 -12.9052 -12.9037 -12.7790 -12.7782 -12.6225 -12.6218 -5.0133 -5.0132 -2.0933 -2.0931 -1.4918 -1.4914 -0.7845 -0.7841 -0.3279 -0.3268 0.0492 0.0501 0.2416 0.2429 0.8954 0.8984 1.3071 1.3136 1.5277 1.5340 1.8440 1.8467 2.1255 2.1292 2.2511 2.2562 2.4968 2.5061 2.8864 2.8881 3.1739 3.1756 3.4646 3.4658 3.7080 3.7096 4.1965 4.1990 4.3867 4.3899 4.4257 4.4316 7.0721 7.0752 7.1116 7.1174 7.2946 7.3067 7.3412 7.3529 7.3925 7.4046 7.4433 7.4506 7.8215 7.8224 7.9071 7.9096 8.3105 8.3135 8.5334 8.5369 11.7227 11.7249 12.6070 12.6103 13.4063 13.4111 k = 0.0000-0.3510-0.0971 ( 4511 PWs) bands (ev): -16.2396 -16.2395 -15.2208 -15.2207 -13.6788 -13.6784 -13.0271 -13.0263 -12.9066 -12.9049 -12.7794 -12.7784 -12.6194 -12.6186 -5.0077 -5.0076 -2.1216 -2.1214 -1.4715 -1.4710 -0.7815 -0.7810 -0.3320 -0.3307 0.0471 0.0482 0.2407 0.2424 0.8671 0.8705 1.3203 1.3269 1.5503 1.5568 1.8363 1.8395 2.1160 2.1201 2.2387 2.2431 2.5214 2.5309 2.8906 2.8925 3.1652 3.1671 3.4680 3.4693 3.7214 3.7233 4.1968 4.1996 4.3854 4.3890 4.4293 4.4359 7.0725 7.0761 7.1116 7.1186 7.2921 7.3058 7.3405 7.3544 7.3926 7.4056 7.4453 7.4528 7.8202 7.8213 7.9067 7.9096 8.3023 8.3058 8.5316 8.5356 11.6453 11.6477 12.6457 12.6494 13.4269 13.4327 k = 0.0000-0.3375-0.0933 ( 4514 PWs) bands (ev): -16.2449 -16.2449 -15.2113 -15.2112 -13.6829 -13.6824 -13.0287 -13.0278 -12.9081 -12.9062 -12.7797 -12.7786 -12.6159 -12.6150 -5.0012 -5.0011 -2.1523 -2.1521 -1.4503 -1.4497 -0.7779 -0.7773 -0.3364 -0.3349 0.0446 0.0459 0.2396 0.2415 0.8388 0.8427 1.3316 1.3381 1.5746 1.5812 1.8274 1.8312 2.1067 2.1111 2.2292 2.2331 2.5443 2.5539 2.8963 2.8984 3.1563 3.1583 3.4717 3.4730 3.7363 3.7384 4.1972 4.2004 4.3835 4.3874 4.4339 4.4411 7.0730 7.0771 7.1117 7.1198 7.2894 7.3042 7.3401 7.3559 7.3930 7.4061 7.4478 7.4552 7.8186 7.8198 7.9063 7.9097 8.2931 8.2968 8.5295 8.5340 11.5647 11.5672 12.6813 12.6855 13.4503 13.4573 k = 0.0000-0.3240-0.0896 ( 4516 PWs) bands (ev): -16.2508 -16.2508 -15.2007 -15.2005 -13.6876 -13.6871 -13.0307 -13.0296 -12.9096 -12.9076 -12.7800 -12.7788 -12.6121 -12.6111 -4.9938 -4.9936 -2.1848 -2.1846 -1.4287 -1.4281 -0.7738 -0.7731 -0.3409 -0.3392 0.0417 0.0431 0.2380 0.2402 0.8110 0.8153 1.3412 1.3473 1.5983 1.6047 1.8184 1.8226 2.0985 2.1028 2.2223 2.2260 2.5653 2.5748 2.9036 2.9058 3.1476 3.1497 3.4754 3.4767 3.7521 3.7545 4.1978 4.2012 4.3811 4.3852 4.4396 4.4472 7.0737 7.0781 7.1118 7.1210 7.2864 7.3020 7.3401 7.3576 7.3936 7.4064 7.4509 7.4578 7.8167 7.8180 7.9061 7.9100 8.2828 8.2868 8.5273 8.5321 11.4820 11.4846 12.7133 12.7179 13.4762 13.4842 k = 0.0000-0.3105-0.0859 ( 4516 PWs) bands (ev): -16.2572 -16.2572 -15.1890 -15.1888 -13.6929 -13.6923 -13.0329 -13.0318 -12.9110 -12.9090 -12.7802 -12.7790 -12.6080 -12.6069 -4.9855 -4.9854 -2.2185 -2.2183 -1.4072 -1.4065 -0.7691 -0.7684 -0.3454 -0.3435 0.0383 0.0399 0.2361 0.2385 0.7841 0.7889 1.3494 1.3550 1.6183 1.6244 1.8114 1.8159 2.0916 2.0957 2.2180 2.2216 2.5841 2.5936 2.9126 2.9148 3.1395 3.1417 3.4792 3.4805 3.7687 3.7714 4.1986 4.2021 4.3784 4.3827 4.4461 4.4540 7.0745 7.0794 7.1119 7.1223 7.2832 7.2992 7.3404 7.3593 7.3942 7.4063 7.4544 7.4606 7.8145 7.8159 7.9061 7.9104 8.2716 8.2759 8.5248 8.5299 11.3982 11.4008 12.7413 12.7462 13.5037 13.5129 k = 0.0000-0.2970-0.0821 ( 4511 PWs) bands (ev): -16.2641 -16.2640 -15.1763 -15.1762 -13.6986 -13.6980 -13.0354 -13.0342 -12.9123 -12.9102 -12.7803 -12.7791 -12.6038 -12.6026 -4.9765 -4.9764 -2.2531 -2.2529 -1.3862 -1.3854 -0.7640 -0.7632 -0.3496 -0.3476 0.0344 0.0362 0.2336 0.2364 0.7584 0.7636 1.3565 1.3617 1.6309 1.6366 1.8092 1.8138 2.0860 2.0896 2.2163 2.2202 2.6007 2.6101 2.9231 2.9253 3.1325 3.1347 3.4831 3.4843 3.7855 3.7885 4.1995 4.2031 4.3755 4.3799 4.4532 4.4613 7.0755 7.0808 7.1121 7.1235 7.2798 7.2959 7.3411 7.3610 7.3948 7.4061 7.4583 7.4637 7.8121 7.8137 7.9062 7.9109 8.2598 8.2641 8.5221 8.5275 11.3140 11.3166 12.7653 12.7706 13.5323 13.5425 k = 0.0000-0.2835-0.0784 ( 4509 PWs) bands (ev): -16.2712 -16.2712 -15.1629 -15.1627 -13.7049 -13.7042 -13.0382 -13.0369 -12.9135 -12.9114 -12.7804 -12.7792 -12.5994 -12.5982 -4.9669 -4.9667 -2.2882 -2.2879 -1.3659 -1.3650 -0.7583 -0.7575 -0.3534 -0.3513 0.0301 0.0319 0.2307 0.2337 0.7338 0.7396 1.3628 1.3675 1.6333 1.6388 1.8142 1.8186 2.0812 2.0842 2.2177 2.2221 2.6154 2.6247 2.9345 2.9367 3.1271 3.1294 3.4869 3.4881 3.8024 3.8057 4.2005 4.2041 4.3725 4.3771 4.4609 4.4690 7.0766 7.0822 7.1123 7.1248 7.2762 7.2922 7.3420 7.3626 7.3953 7.4057 7.4625 7.4671 7.8096 7.8113 7.9065 7.9116 8.2473 8.2517 8.5192 8.5247 11.2299 11.2325 12.7856 12.7911 13.5613 13.5724 k = 0.0000-0.2700-0.0747 ( 4512 PWs) bands (ev): -16.2786 -16.2786 -15.1488 -15.1486 -13.7116 -13.7109 -13.0412 -13.0398 -12.9145 -12.9124 -12.7804 -12.7791 -12.5949 -12.5937 -4.9566 -4.9564 -2.3234 -2.3232 -1.3466 -1.3456 -0.7522 -0.7513 -0.3566 -0.3544 0.0252 0.0272 0.2273 0.2306 0.7106 0.7168 1.3685 1.3727 1.6255 1.6310 1.8258 1.8301 2.0766 2.0789 2.2226 2.2277 2.6283 2.6374 2.9463 2.9486 3.1237 3.1261 3.4906 3.4918 3.8191 3.8227 4.2016 4.2051 4.3695 4.3743 4.4688 4.4770 7.0778 7.0838 7.1125 7.1261 7.2724 7.2881 7.3429 7.3639 7.3957 7.4051 7.4668 7.4708 7.8070 7.8089 7.9068 7.9123 8.2344 8.2388 8.5160 8.5217 11.1464 11.1490 12.8024 12.8080 13.5898 13.6018 k = 0.0000-0.2565-0.0709 ( 4519 PWs) bands (ev): -16.2862 -16.2862 -15.1342 -15.1339 -13.7188 -13.7181 -13.0444 -13.0430 -12.9153 -12.9132 -12.7803 -12.7791 -12.5904 -12.5892 -4.9458 -4.9456 -2.3586 -2.3584 -1.3284 -1.3274 -0.7457 -0.7448 -0.3592 -0.3568 0.0198 0.0220 0.2233 0.2269 0.6888 0.6955 1.3737 1.3774 1.6102 1.6158 1.8413 1.8454 2.0717 2.0734 2.2314 2.2372 2.6397 2.6487 2.9577 2.9603 3.1229 3.1255 3.4943 3.4954 3.8354 3.8392 4.2027 4.2061 4.3668 4.3718 4.4770 4.4852 7.0790 7.0855 7.1127 7.1274 7.2684 7.2837 7.3438 7.3649 7.3959 7.4045 7.4711 7.4748 7.8045 7.8066 7.9072 7.9131 8.2212 8.2256 8.5127 8.5184 11.0639 11.0665 12.8160 12.8217 13.6174 13.6300 k = 0.0000-0.2430-0.0672 ( 4515 PWs) bands (ev): -16.2938 -16.2938 -15.1191 -15.1189 -13.7263 -13.7255 -13.0478 -13.0463 -12.9159 -12.9138 -12.7801 -12.7789 -12.5859 -12.5847 -4.9346 -4.9344 -2.3935 -2.3932 -1.3115 -1.3105 -0.7388 -0.7378 -0.3609 -0.3584 0.0139 0.0163 0.2190 0.2228 0.6682 0.6754 1.3784 1.3816 1.5905 1.5962 1.8579 1.8617 2.0662 2.0672 2.2441 2.2508 2.6499 2.6588 2.9681 2.9711 3.1253 3.1280 3.4978 3.4988 3.8511 3.8552 4.2038 4.2071 4.3644 4.3696 4.4852 4.4934 7.0803 7.0873 7.1131 7.1288 7.2643 7.2791 7.3447 7.3656 7.3959 7.4039 7.4754 7.4791 7.8022 7.8046 7.9075 7.9138 8.2080 8.2123 8.5092 8.5149 10.9830 10.9856 12.8269 12.8326 13.6435 13.6566 k = 0.0000-0.2295-0.0635 ( 4517 PWs) bands (ev): -16.3015 -16.3014 -15.1037 -15.1035 -13.7341 -13.7333 -13.0513 -13.0498 -12.9162 -12.9143 -12.7799 -12.7788 -12.5815 -12.5803 -4.9230 -4.9228 -2.4278 -2.4276 -1.2960 -1.2949 -0.7315 -0.7305 -0.3617 -0.3592 0.0076 0.0101 0.2143 0.2184 0.6488 0.6565 1.3825 1.3853 1.5685 1.5743 1.8735 1.8772 2.0598 2.0605 2.2607 2.2680 2.6590 2.6679 2.9771 2.9804 3.1309 3.1337 3.5012 3.5022 3.8661 3.8704 4.2048 4.2079 4.3625 4.3680 4.4933 4.5014 7.0816 7.0890 7.1136 7.1302 7.2601 7.2744 7.3453 7.3657 7.3957 7.4032 7.4797 7.4836 7.8003 7.8030 7.9078 7.9144 8.1947 8.1990 8.5056 8.5112 10.9039 10.9064 12.8353 12.8409 13.6677 13.6810 k = 0.0000-0.2160-0.0597 ( 4521 PWs) bands (ev): -16.3090 -16.3090 -15.0882 -15.0880 -13.7421 -13.7414 -13.0549 -13.0534 -12.9164 -12.9145 -12.7796 -12.7785 -12.5772 -12.5760 -4.9112 -4.9110 -2.4615 -2.4612 -1.2818 -1.2807 -0.7239 -0.7228 -0.3617 -0.3590 0.0008 0.0034 0.2093 0.2137 0.6306 0.6387 1.3861 1.3884 1.5459 1.5516 1.8872 1.8908 2.0525 2.0532 2.2806 2.2885 2.6673 2.6762 2.9847 2.9883 3.1396 3.1424 3.5044 3.5054 3.8802 3.8846 4.2056 4.2085 4.3613 4.3670 4.5013 4.5092 7.0829 7.0908 7.1143 7.1318 7.2556 7.2695 7.3456 7.3653 7.3952 7.4024 7.4840 7.4882 7.7988 7.8018 7.9079 7.9148 8.1817 8.1859 8.5018 8.5073 10.8271 10.8295 12.8415 12.8470 13.6897 13.7030 k = 0.0000-0.2025-0.0560 ( 4518 PWs) bands (ev): -16.3164 -16.3164 -15.0727 -15.0725 -13.7504 -13.7496 -13.0586 -13.0571 -12.9164 -12.9147 -12.7792 -12.7782 -12.5730 -12.5719 -4.8992 -4.8991 -2.4942 -2.4939 -1.2691 -1.2679 -0.7160 -0.7149 -0.3606 -0.3579 -0.0065 -0.0037 0.2042 0.2089 0.6134 0.6218 1.3888 1.3907 1.5236 1.5292 1.8986 1.9022 2.0445 2.0454 2.3031 2.3115 2.6749 2.6839 2.9912 2.9951 3.1508 3.1535 3.5074 3.5084 3.8934 3.8979 4.2062 4.2088 4.3609 4.3668 4.5089 4.5167 7.0841 7.0924 7.1154 7.1336 7.2511 7.2646 7.3456 7.3645 7.3945 7.4016 7.4884 7.4928 7.7979 7.8011 7.9078 7.9150 8.1690 8.1731 8.4979 8.5032 10.7528 10.7552 12.8459 12.8512 13.7093 13.7224 k = 0.0000-0.1890-0.0523 ( 4521 PWs) bands (ev): -16.3236 -16.3236 -15.0573 -15.0571 -13.7587 -13.7580 -13.0622 -13.0607 -12.9163 -12.9146 -12.7789 -12.7779 -12.5690 -12.5679 -4.8873 -4.8871 -2.5258 -2.5256 -1.2577 -1.2566 -0.7079 -0.7068 -0.3587 -0.3558 -0.0142 -0.0112 0.1991 0.2040 0.5971 0.6058 1.3904 1.3920 1.5028 1.5080 1.9078 1.9112 2.0361 2.0373 2.3274 2.3361 2.6817 2.6910 2.9972 3.0012 3.1637 3.1664 3.5103 3.5113 3.9055 3.9101 4.2065 4.2090 4.3613 4.3674 4.5161 4.5238 7.0853 7.0938 7.1169 7.1355 7.2465 7.2596 7.3453 7.3631 7.3936 7.4007 7.4928 7.4972 7.7976 7.8011 7.9075 7.9149 8.1567 8.1608 8.4939 8.4991 10.6815 10.6837 12.8487 12.8539 13.7266 13.7393 k = 0.0000-0.1755-0.0485 ( 4522 PWs) bands (ev): -16.3306 -16.3306 -15.0422 -15.0420 -13.7671 -13.7664 -13.0657 -13.0643 -12.9161 -12.9145 -12.7784 -12.7776 -12.5652 -12.5641 -4.8754 -4.8753 -2.5561 -2.5559 -1.2477 -1.2466 -0.6997 -0.6986 -0.3558 -0.3528 -0.0223 -0.0191 0.1942 0.1992 0.5816 0.5905 1.3902 1.3918 1.4843 1.4890 1.9148 1.9182 2.0276 2.0290 2.3526 2.3616 2.6880 2.6974 3.0032 3.0073 3.1776 3.1801 3.5130 3.5140 3.9166 3.9212 4.2066 4.2088 4.3627 4.3689 4.5228 4.5303 7.0864 7.0948 7.1188 7.1377 7.2419 7.2545 7.3446 7.3613 7.3925 7.3996 7.4971 7.5016 7.7980 7.8017 7.9070 7.9145 8.1451 8.1491 8.4898 8.4948 10.6134 10.6155 12.8502 12.8551 13.7418 13.7537 k = 0.0000-0.1620-0.0448 ( 4523 PWs) bands (ev): -16.3372 -16.3372 -15.0275 -15.0273 -13.7754 -13.7747 -13.0692 -13.0678 -12.9157 -12.9143 -12.7780 -12.7772 -12.5616 -12.5606 -4.8638 -4.8636 -2.5851 -2.5848 -1.2390 -1.2379 -0.6914 -0.6903 -0.3521 -0.3490 -0.0306 -0.0273 0.1895 0.1947 0.5668 0.5758 1.3875 1.3897 1.4692 1.4730 1.9200 1.9233 2.0190 2.0206 2.3781 2.3872 2.6936 2.7031 3.0097 3.0139 3.1915 3.1940 3.5156 3.5166 3.9265 3.9311 4.2064 4.2085 4.3650 4.3713 4.5290 4.5362 7.0873 7.0956 7.1212 7.1400 7.2372 7.2495 7.3436 7.3591 7.3912 7.3985 7.5014 7.5058 7.7991 7.8030 7.9061 7.9137 8.1341 8.1381 8.4857 8.4905 10.5488 10.5509 12.8507 12.8552 13.7549 13.7661 k = 0.0000-0.1485-0.0411 ( 4520 PWs) bands (ev): -16.3435 -16.3435 -15.0133 -15.0131 -13.7835 -13.7829 -13.0725 -13.0712 -12.9153 -12.9139 -12.7776 -12.7768 -12.5582 -12.5572 -4.8525 -4.8523 -2.6124 -2.6122 -1.2315 -1.2305 -0.6831 -0.6820 -0.3477 -0.3445 -0.0392 -0.0357 0.1852 0.1905 0.5526 0.5617 1.3818 1.3850 1.4581 1.4611 1.9237 1.9269 2.0107 2.0124 2.4031 2.4123 2.6986 2.7082 3.0169 3.0211 3.2050 3.2075 3.5180 3.5190 3.9353 3.9398 4.2059 4.2079 4.3682 4.3745 4.5345 4.5414 7.0882 7.0961 7.1240 7.1424 7.2325 7.2445 7.3423 7.3566 7.3899 7.3971 7.5055 7.5098 7.8010 7.8050 7.9050 7.9126 8.1239 8.1279 8.4817 8.4861 10.4881 10.4901 12.8502 12.8545 13.7662 13.7765 k = 0.0000-0.1350-0.0373 ( 4520 PWs) bands (ev): -16.3494 -16.3494 -14.9998 -14.9996 -13.7914 -13.7908 -13.0756 -13.0744 -12.9148 -12.9136 -12.7771 -12.7764 -12.5550 -12.5541 -4.8416 -4.8415 -2.6379 -2.6377 -1.2251 -1.2241 -0.6750 -0.6739 -0.3426 -0.3395 -0.0480 -0.0444 0.1814 0.1867 0.5391 0.5480 1.3736 1.3775 1.4510 1.4533 1.9261 1.9292 2.0027 2.0045 2.4271 2.4363 2.7030 2.7126 3.0251 3.0293 3.2176 3.2201 3.5204 3.5214 3.9429 3.9472 4.2054 4.2073 4.3723 4.3784 4.5393 4.5460 7.0890 7.0963 7.1272 7.1451 7.2278 7.2394 7.3409 7.3539 7.3883 7.3956 7.5094 7.5135 7.8035 7.8076 7.9036 7.9112 8.1145 8.1185 8.4776 8.4818 10.4316 10.4334 12.8491 12.8531 13.7761 13.7854 k = 0.0000-0.1215-0.0336 ( 4517 PWs) bands (ev): -16.3548 -16.3548 -14.9870 -14.9868 -13.7990 -13.7984 -13.0785 -13.0774 -12.9143 -12.9132 -12.7767 -12.7761 -12.5521 -12.5513 -4.8314 -4.8312 -2.6616 -2.6614 -1.2198 -1.2188 -0.6670 -0.6660 -0.3371 -0.3339 -0.0568 -0.0532 0.1782 0.1835 0.5261 0.5349 1.3637 1.3681 1.4469 1.4489 1.9276 1.9304 1.9952 1.9970 2.4496 2.4587 2.7069 2.7164 3.0341 3.0382 3.2289 3.2314 3.5227 3.5237 3.9495 3.9535 4.2047 4.2066 4.3770 4.3829 4.5435 4.5498 7.0896 7.0963 7.1307 7.1479 7.2232 7.2345 7.3393 7.3511 7.3868 7.3939 7.5131 7.5169 7.8066 7.8107 7.9020 7.9095 8.1061 8.1101 8.4738 8.4776 10.3795 10.3812 12.8476 12.8511 13.7846 13.7930 k = 0.0000-0.1080-0.0299 ( 4513 PWs) bands (ev): -16.3597 -16.3597 -14.9752 -14.9750 -13.8061 -13.8056 -13.0811 -13.0801 -12.9138 -12.9128 -12.7763 -12.7757 -12.5495 -12.5488 -4.8218 -4.8217 -2.6832 -2.6830 -1.2153 -1.2145 -0.6595 -0.6585 -0.3313 -0.3281 -0.0656 -0.0619 0.1757 0.1808 0.5139 0.5223 1.3535 1.3580 1.4450 1.4466 1.9283 1.9309 1.9883 1.9900 2.4703 2.4791 2.7103 2.7196 3.0438 3.0479 3.2386 3.2412 3.5249 3.5259 3.9549 3.9587 4.2041 4.2059 4.3822 4.3878 4.5469 4.5528 7.0902 7.0961 7.1344 7.1507 7.2186 7.2296 7.3377 7.3483 7.3853 7.3921 7.5166 7.5200 7.8101 7.8142 7.9001 7.9074 8.0986 8.1025 8.4700 8.4736 10.3321 10.3336 12.8457 12.8489 13.7921 13.7995 k = 0.0000-0.0945-0.0261 ( 4511 PWs) bands (ev): -16.3642 -16.3641 -14.9644 -14.9643 -13.8126 -13.8122 -13.0835 -13.0826 -12.9133 -12.9125 -12.7759 -12.7754 -12.5472 -12.5465 -4.8130 -4.8129 -2.7026 -2.7025 -1.2117 -1.2109 -0.6523 -0.6514 -0.3254 -0.3223 -0.0741 -0.0705 0.1738 0.1787 0.5025 0.5104 1.3438 1.3480 1.4442 1.4456 1.9284 1.9307 1.9821 1.9837 2.4890 2.4973 2.7134 2.7222 3.0540 3.0579 3.2467 3.2493 3.5271 3.5281 3.9593 3.9628 4.2035 4.2052 4.3877 4.3929 4.5497 4.5552 7.0906 7.0959 7.1382 7.1537 7.2142 7.2248 7.3362 7.3455 7.3839 7.3902 7.5197 7.5228 7.8141 7.8181 7.8981 7.9050 8.0921 8.0958 8.4665 8.4697 10.2897 10.2910 12.8437 12.8465 13.7986 13.8050 k = 0.0000-0.0810-0.0224 ( 4509 PWs) bands (ev): -16.3681 -16.3680 -14.9548 -14.9547 -13.8185 -13.8181 -13.0856 -13.0848 -12.9129 -12.9121 -12.7755 -12.7751 -12.5451 -12.5445 -4.8052 -4.8051 -2.7197 -2.7196 -1.2087 -1.2080 -0.6458 -0.6450 -0.3195 -0.3165 -0.0822 -0.0788 0.1726 0.1771 0.4921 0.4993 1.3350 1.3389 1.4440 1.4452 1.9282 1.9302 1.9767 1.9781 2.5054 2.5130 2.7162 2.7244 3.0644 3.0680 3.2531 3.2556 3.5293 3.5302 3.9628 3.9659 4.2030 4.2046 4.3932 4.3980 4.5519 4.5568 7.0911 7.0956 7.1422 7.1565 7.2100 7.2202 7.3347 7.3428 7.3825 7.3884 7.5225 7.5252 7.8182 7.8221 7.8959 7.9024 8.0865 8.0900 8.4633 8.4661 10.2524 10.2536 12.8417 12.8442 13.8042 13.8096 k = 0.0000-0.0675-0.0187 ( 4509 PWs) bands (ev): -16.3714 -16.3714 -14.9465 -14.9464 -13.8237 -13.8233 -13.0874 -13.0867 -12.9124 -12.9118 -12.7752 -12.7748 -12.5433 -12.5429 -4.7984 -4.7983 -2.7344 -2.7343 -1.2064 -1.2058 -0.6400 -0.6392 -0.3138 -0.3110 -0.0896 -0.0865 0.1719 0.1759 0.4829 0.4892 1.3275 1.3309 1.4442 1.4452 1.9277 1.9294 1.9720 1.9732 2.5194 2.5262 2.7188 2.7261 3.0744 3.0777 3.2579 3.2603 3.5313 3.5321 3.9656 3.9682 4.2027 4.2041 4.3986 4.4028 4.5536 4.5579 7.0915 7.0952 7.1461 7.1592 7.2062 7.2157 7.3335 7.3403 7.3814 7.3865 7.5250 7.5272 7.8224 7.8260 7.8937 7.8997 8.0819 8.0851 8.4605 8.4628 10.2205 10.2215 12.8399 12.8419 13.8089 13.8135 k = 0.0000-0.0540-0.0149 ( 4508 PWs) bands (ev): -16.3741 -16.3741 -14.9395 -14.9394 -13.8280 -13.8278 -13.0888 -13.0883 -12.9121 -12.9115 -12.7749 -12.7746 -12.5419 -12.5415 -4.7926 -4.7926 -2.7465 -2.7464 -1.2046 -1.2041 -0.6350 -0.6344 -0.3086 -0.3062 -0.0961 -0.0934 0.1717 0.1751 0.4751 0.4804 1.3215 1.3243 1.4444 1.4452 1.9271 1.9285 1.9683 1.9693 2.5310 2.5368 2.7212 2.7273 3.0837 3.0865 3.2613 3.2634 3.5332 3.5339 3.9676 3.9698 4.2025 4.2037 4.4036 4.4070 4.5548 4.5584 7.0918 7.0948 7.1500 7.1616 7.2028 7.2115 7.3326 7.3381 7.3805 7.3847 7.5270 7.5288 7.8265 7.8298 7.8916 7.8969 8.0783 8.0811 8.4582 8.4600 10.1942 10.1950 12.8382 12.8399 13.8129 13.8165 k = 0.0000-0.0405-0.0112 ( 4509 PWs) bands (ev): -16.3763 -16.3763 -14.9340 -14.9339 -13.8315 -13.8313 -13.0900 -13.0896 -12.9117 -12.9114 -12.7747 -12.7745 -12.5407 -12.5404 -4.7881 -4.7881 -2.7561 -2.7560 -1.2032 -1.2029 -0.6310 -0.6305 -0.3041 -0.3021 -0.1015 -0.0993 0.1718 0.1745 0.4689 0.4730 1.3168 1.3190 1.4447 1.4453 1.9266 1.9276 1.9653 1.9661 2.5401 2.5447 2.7234 2.7282 3.0917 3.0940 3.2635 3.2653 3.5348 3.5353 3.9691 3.9708 4.2024 4.2034 4.4079 4.4106 4.5557 4.5585 7.0921 7.0944 7.1538 7.1634 7.2002 7.2076 7.3320 7.3361 7.3798 7.3831 7.5287 7.5301 7.8302 7.8330 7.8899 7.8942 8.0756 8.0778 8.4563 8.4577 10.1736 10.1742 12.8369 12.8381 13.8161 13.8188 k = 0.0000-0.0270-0.0075 ( 4509 PWs) bands (ev): -16.3778 -16.3778 -14.9300 -14.9300 -13.8340 -13.8338 -13.0908 -13.0905 -12.9115 -12.9112 -12.7745 -12.7744 -12.5399 -12.5397 -4.7848 -4.7848 -2.7629 -2.7629 -1.2023 -1.2021 -0.6280 -0.6277 -0.3005 -0.2992 -0.1054 -0.1038 0.1722 0.1741 0.4645 0.4674 1.3137 1.3151 1.4450 1.4454 1.9262 1.9268 1.9633 1.9638 2.5469 2.5500 2.7252 2.7285 3.0980 3.0996 3.2649 3.2662 3.5360 3.5364 3.9702 3.9714 4.2025 4.2031 4.4113 4.4131 4.5565 4.5584 7.0925 7.0940 7.1572 7.1642 7.1985 7.2040 7.3317 7.3345 7.3795 7.3818 7.5299 7.5309 7.8334 7.8354 7.8886 7.8917 8.0739 8.0754 8.4550 8.4559 10.1588 10.1592 12.8360 12.8368 13.8185 13.8203 k = 0.0000-0.0135-0.0037 ( 4509 PWs) bands (ev): -16.3788 -16.3788 -14.9276 -14.9276 -13.8355 -13.8354 -13.0912 -13.0911 -12.9113 -12.9112 -12.7744 -12.7743 -12.5394 -12.5393 -4.7828 -4.7828 -2.7671 -2.7670 -1.2017 -1.2016 -0.6261 -0.6260 -0.2982 -0.2974 -0.1077 -0.1069 0.1727 0.1736 0.4621 0.4636 1.3119 1.3126 1.4452 1.4454 1.9260 1.9263 1.9621 1.9624 2.5513 2.5529 2.7267 2.7284 3.1022 3.1030 3.2658 3.2664 3.5368 3.5370 3.9710 3.9715 4.2026 4.2029 4.4136 4.4146 4.5570 4.5580 7.0928 7.0936 7.1603 7.1640 7.1981 7.2011 7.3318 7.3332 7.3795 7.3807 7.5308 7.5312 7.8357 7.8367 7.8882 7.8898 8.0730 8.0738 8.4543 8.4548 10.1500 10.1502 12.8355 12.8359 13.8202 13.8211 k = 0.0000 0.0000 0.0000 ( 4509 PWs) bands (ev): -16.3791 -16.3791 -14.9268 -14.9268 -13.8360 -13.8360 -13.0913 -13.0913 -12.9112 -12.9112 -12.7743 -12.7743 -12.5392 -12.5392 -4.7822 -4.7822 -2.7684 -2.7684 -1.2015 -1.2015 -0.6255 -0.6255 -0.2971 -0.2971 -0.1082 -0.1082 0.1732 0.1732 0.4618 0.4618 1.3116 1.3116 1.4453 1.4453 1.9260 1.9260 1.9618 1.9618 2.5533 2.5533 2.7278 2.7278 3.1039 3.1039 3.2662 3.2662 3.5371 3.5371 3.9714 3.9714 4.2027 4.2027 4.4147 4.4147 4.5575 4.5575 7.0932 7.0932 7.1626 7.1626 7.1991 7.1991 7.3323 7.3323 7.3799 7.3799 7.5312 7.5312 7.8368 7.8368 7.8885 7.8885 8.0730 8.0730 8.4542 8.4542 10.1471 10.1471 12.8354 12.8354 13.8210 13.8210 k = 0.0000 0.0000 0.0000 ( 4509 PWs) bands (ev): -16.3791 -16.3791 -14.9268 -14.9268 -13.8360 -13.8360 -13.0913 -13.0913 -12.9112 -12.9112 -12.7743 -12.7743 -12.5392 -12.5392 -4.7822 -4.7822 -2.7684 -2.7684 -1.2015 -1.2015 -0.6255 -0.6255 -0.2971 -0.2971 -0.1082 -0.1082 0.1732 0.1732 0.4618 0.4618 1.3116 1.3116 1.4453 1.4453 1.9260 1.9260 1.9618 1.9618 2.5533 2.5533 2.7278 2.7278 3.1039 3.1039 3.2662 3.2662 3.5371 3.5371 3.9714 3.9714 4.2027 4.2027 4.4147 4.4147 4.5575 4.5575 7.0932 7.0932 7.1626 7.1626 7.1991 7.1991 7.3323 7.3323 7.3799 7.3799 7.5312 7.5312 7.8368 7.8368 7.8885 7.8885 8.0730 8.0730 8.4542 8.4542 10.1471 10.1471 12.8354 12.8354 13.8210 13.8210 k = 0.0135 0.0021 0.0026 ( 4514 PWs) bands (ev): -16.3789 -16.3789 -14.9268 -14.9268 -13.8359 -13.8359 -13.0914 -13.0913 -12.9115 -12.9114 -12.7746 -12.7745 -12.5393 -12.5392 -4.7825 -4.7824 -2.7669 -2.7669 -1.2038 -1.2034 -0.6238 -0.6234 -0.3013 -0.3003 -0.1054 -0.1039 0.1727 0.1731 0.4622 0.4624 1.3097 1.3104 1.4466 1.4472 1.9203 1.9245 1.9637 1.9675 2.5516 2.5529 2.7273 2.7290 3.1030 3.1032 3.2656 3.2660 3.5364 3.5367 3.9702 3.9710 4.2038 4.2042 4.4146 4.4150 4.5571 4.5573 7.0931 7.0935 7.1622 7.1631 7.1981 7.1999 7.3312 7.3332 7.3784 7.3821 7.5301 7.5323 7.8365 7.8374 7.8880 7.8893 8.0734 8.0738 8.4548 8.4550 10.1499 10.1499 12.8352 12.8357 13.8200 13.8210 k = 0.0270 0.0042 0.0053 ( 4518 PWs) bands (ev): -16.3782 -16.3782 -14.9268 -14.9268 -13.8356 -13.8355 -13.0915 -13.0914 -12.9123 -12.9122 -12.7753 -12.7751 -12.5395 -12.5392 -4.7833 -4.7833 -2.7623 -2.7622 -1.2102 -1.2092 -0.6184 -0.6177 -0.3119 -0.3100 -0.0965 -0.0937 0.1718 0.1727 0.4635 0.4639 1.3051 1.3063 1.4507 1.4519 1.9109 1.9171 1.9719 1.9770 2.5479 2.5504 2.7275 2.7309 3.1005 3.1009 3.2639 3.2647 3.5344 3.5351 3.9675 3.9691 4.2073 4.2082 4.4147 4.4154 4.5561 4.5565 7.0932 7.0941 7.1619 7.1637 7.1968 7.2005 7.3300 7.3340 7.3776 7.3847 7.5290 7.5333 7.8363 7.8381 7.8875 7.8901 8.0750 8.0759 8.4566 8.4571 10.1582 10.1583 12.8350 12.8361 13.8179 13.8200 k = 0.0405 0.0062 0.0079 ( 4516 PWs) bands (ev): -16.3771 -16.3771 -14.9268 -14.9268 -13.8351 -13.8350 -13.0916 -13.0914 -12.9137 -12.9134 -12.7764 -12.7761 -12.5399 -12.5395 -4.7848 -4.7848 -2.7547 -2.7546 -1.2203 -1.2189 -0.6099 -0.6088 -0.3268 -0.3244 -0.0833 -0.0795 0.1707 0.1720 0.4658 0.4664 1.2983 1.2999 1.4572 1.4589 1.9002 1.9072 1.9827 1.9882 2.5426 2.5462 2.7283 2.7332 3.0964 3.0969 3.2614 3.2625 3.5314 3.5323 3.9634 3.9657 4.2133 4.2146 4.4150 4.4160 4.5546 4.5552 7.0936 7.0949 7.1616 7.1643 7.1955 7.2010 7.3287 7.3346 7.3775 7.3879 7.5279 7.5342 7.8364 7.8390 7.8873 7.8911 8.0780 8.0793 8.4598 8.4606 10.1720 10.1722 12.8349 12.8365 13.8148 13.8179 k = 0.0541 0.0083 0.0105 ( 4512 PWs) bands (ev): -16.3756 -16.3756 -14.9268 -14.9268 -13.8344 -13.8343 -13.0919 -13.0916 -12.9156 -12.9152 -12.7778 -12.7775 -12.5404 -12.5398 -4.7868 -4.7868 -2.7441 -2.7439 -1.2336 -1.2319 -0.5990 -0.5976 -0.3440 -0.3412 -0.0681 -0.0634 0.1696 0.1715 0.4692 0.4699 1.2899 1.2920 1.4654 1.4674 1.8890 1.8965 1.9946 2.0002 2.5359 2.5404 2.7294 2.7355 3.0905 3.0911 3.2582 3.2595 3.5273 3.5285 3.9580 3.9609 4.2216 4.2231 4.4154 4.4167 4.5527 4.5534 7.0942 7.0959 7.1615 7.1651 7.1941 7.2012 7.3274 7.3350 7.3781 7.3915 7.5268 7.5351 7.8367 7.8401 7.8873 7.8922 8.0822 8.0839 8.4643 8.4653 10.1913 10.1915 12.8349 12.8370 13.8105 13.8146 k = 0.0676 0.0104 0.0131 ( 4515 PWs) bands (ev): -16.3737 -16.3737 -14.9268 -14.9267 -13.8335 -13.8333 -13.0922 -13.0918 -12.9180 -12.9176 -12.7796 -12.7792 -12.5410 -12.5403 -4.7894 -4.7893 -2.7304 -2.7302 -1.2497 -1.2477 -0.5869 -0.5853 -0.3615 -0.3585 -0.0528 -0.0473 0.1692 0.1716 0.4735 0.4743 1.2807 1.2830 1.4746 1.4769 1.8775 1.8852 2.0071 2.0126 2.5282 2.5334 2.7303 2.7375 3.0827 3.0834 3.2543 3.2559 3.5222 3.5238 3.9515 3.9550 4.2317 4.2335 4.4159 4.4175 4.5505 4.5514 7.0949 7.0971 7.1613 7.1659 7.1926 7.2012 7.3262 7.3354 7.3793 7.3953 7.5256 7.5359 7.8373 7.8413 7.8875 7.8934 8.0876 8.0896 8.4701 8.4713 10.2157 10.2160 12.8351 12.8377 13.8049 13.8099 k = 0.0811 0.0125 0.0158 ( 4513 PWs) bands (ev): -16.3714 -16.3714 -14.9268 -14.9267 -13.8324 -13.8322 -13.0926 -13.0922 -12.9210 -12.9205 -12.7816 -12.7811 -12.5417 -12.5408 -4.7925 -4.7924 -2.7139 -2.7136 -1.2681 -1.2658 -0.5751 -0.5734 -0.3774 -0.3743 -0.0389 -0.0328 0.1702 0.1731 0.4789 0.4798 1.2710 1.2736 1.4843 1.4869 1.8657 1.8737 2.0200 2.0252 2.5200 2.5257 2.7309 2.7389 3.0729 3.0736 3.2501 3.2517 3.5162 3.5181 3.9441 3.9482 4.2434 4.2456 4.4165 4.4183 4.5483 4.5494 7.0958 7.0984 7.1612 7.1667 7.1910 7.2010 7.3251 7.3357 7.3810 7.3994 7.5244 7.5365 7.8382 7.8429 7.8880 7.8948 8.0943 8.0965 8.4771 8.4785 10.2453 10.2456 12.8356 12.8387 13.7979 13.8038 k = 0.0946 0.0145 0.0184 ( 4517 PWs) bands (ev): -16.3687 -16.3686 -14.9268 -14.9267 -13.8311 -13.8308 -13.0931 -13.0927 -12.9245 -12.9240 -12.7838 -12.7833 -12.5425 -12.5415 -4.7961 -4.7960 -2.6944 -2.6941 -1.2883 -1.2857 -0.5660 -0.5642 -0.3893 -0.3863 -0.0279 -0.0213 0.1734 0.1768 0.4853 0.4863 1.2613 1.2640 1.4941 1.4969 1.8537 1.8620 2.0329 2.0380 2.5116 2.5177 2.7307 2.7393 3.0608 3.0616 3.2456 3.2473 3.5095 3.5117 3.9361 3.9406 4.2564 4.2587 4.4171 4.4192 4.5462 4.5476 7.0967 7.0998 7.1612 7.1676 7.1895 7.2006 7.3242 7.3362 7.3832 7.4036 7.5230 7.5368 7.8394 7.8446 7.8888 7.8963 8.1021 8.1046 8.4852 8.4868 10.2797 10.2801 12.8365 12.8400 13.7892 13.7959 k = 0.1081 0.0166 0.0210 ( 4512 PWs) bands (ev): -16.3656 -16.3655 -14.9268 -14.9268 -13.8296 -13.8292 -13.0938 -13.0933 -12.9286 -12.9281 -12.7861 -12.7855 -12.5434 -12.5424 -4.8001 -4.8000 -2.6722 -2.6718 -1.3098 -1.3070 -0.5621 -0.5604 -0.3946 -0.3920 -0.0209 -0.0141 0.1798 0.1835 0.4929 0.4939 1.2518 1.2547 1.5037 1.5067 1.8415 1.8500 2.0459 2.0508 2.5033 2.5096 2.7295 2.7386 3.0464 3.0473 3.2412 3.2429 3.5022 3.5046 3.9277 3.9326 4.2700 4.2726 4.4179 4.4202 4.5447 4.5463 7.0978 7.1013 7.1612 7.1686 7.1880 7.2001 7.3236 7.3368 7.3857 7.4080 7.5215 7.5370 7.8410 7.8466 7.8899 7.8980 8.1112 8.1139 8.4944 8.4962 10.3187 10.3191 12.8378 12.8417 13.7788 13.7861 k = 0.1216 0.0187 0.0236 ( 4508 PWs) bands (ev): -16.3621 -16.3621 -14.9268 -14.9268 -13.8279 -13.8275 -13.0948 -13.0942 -12.9333 -12.9326 -12.7885 -12.7878 -12.5444 -12.5433 -4.8046 -4.8044 -2.6472 -2.6468 -1.3322 -1.3293 -0.5656 -0.5638 -0.3915 -0.3895 -0.0187 -0.0118 0.1898 0.1937 0.5015 0.5026 1.2428 1.2459 1.5128 1.5160 1.8291 1.8379 2.0587 2.0634 2.4953 2.5017 2.7270 2.7366 3.0296 3.0307 3.2370 3.2387 3.4942 3.4970 3.9191 3.9244 4.2838 4.2866 4.4188 4.4213 4.5440 4.5459 7.0988 7.1027 7.1612 7.1696 7.1866 7.1995 7.3233 7.3376 7.3884 7.4123 7.5199 7.5370 7.8429 7.8489 7.8913 7.9000 8.1214 8.1242 8.5046 8.5065 10.3620 10.3625 12.8396 12.8440 13.7664 13.7743 k = 0.1351 0.0208 0.0263 ( 4510 PWs) bands (ev): -16.3583 -16.3583 -14.9268 -14.9268 -13.8259 -13.8255 -13.0960 -13.0953 -12.9384 -12.9377 -12.7908 -12.7901 -12.5456 -12.5444 -4.8094 -4.8093 -2.6197 -2.6191 -1.3553 -1.3523 -0.5763 -0.5742 -0.3806 -0.3791 -0.0212 -0.0145 0.2032 0.2071 0.5112 0.5122 1.2344 1.2376 1.5211 1.5246 1.8166 1.8256 2.0712 2.0758 2.4879 2.4944 2.7232 2.7330 3.0103 3.0118 3.2332 3.2349 3.4857 3.4887 3.9105 3.9161 4.2972 4.3002 4.4198 4.4225 4.5445 4.5467 7.0997 7.1040 7.1612 7.1706 7.1853 7.1988 7.3234 7.3386 7.3913 7.4167 7.5180 7.5366 7.8452 7.8514 7.8932 7.9022 8.1327 8.1356 8.5157 8.5178 10.4094 10.4099 12.8421 12.8468 13.7520 13.7603 k = 0.1486 0.0228 0.0289 ( 4508 PWs) bands (ev): -16.3542 -16.3542 -14.9269 -14.9269 -13.8238 -13.8233 -13.0976 -13.0968 -12.9439 -12.9433 -12.7930 -12.7923 -12.5468 -12.5455 -4.8146 -4.8144 -2.5896 -2.5890 -1.3788 -1.3756 -0.5923 -0.5898 -0.3639 -0.3626 -0.0280 -0.0216 0.2194 0.2232 0.5219 0.5230 1.2268 1.2302 1.5286 1.5323 1.8039 1.8131 2.0833 2.0877 2.4812 2.4877 2.7180 2.7279 2.9887 2.9906 3.2299 3.2316 3.4767 3.4800 3.9022 3.9081 4.3095 4.3127 4.4211 4.4239 4.5468 4.5492 7.1006 7.1052 7.1612 7.1715 7.1840 7.1980 7.3238 7.3398 7.3942 7.4209 7.5160 7.5360 7.8477 7.8542 7.8955 7.9047 8.1449 8.1479 8.5278 8.5300 10.4605 10.4611 12.8452 12.8504 13.7355 13.7440 k = 0.1622 0.0249 0.0315 ( 4507 PWs) bands (ev): -16.3499 -16.3498 -14.9270 -14.9269 -13.8214 -13.8209 -13.0996 -13.0987 -12.9498 -12.9491 -12.7951 -12.7944 -12.5482 -12.5468 -4.8201 -4.8199 -2.5570 -2.5564 -1.4023 -1.3991 -0.6116 -0.6086 -0.3435 -0.3423 -0.0384 -0.0324 0.2376 0.2414 0.5338 0.5348 1.2201 1.2237 1.5349 1.5389 1.7912 1.8006 2.0947 2.0990 2.4754 2.4818 2.7112 2.7211 2.9651 2.9673 3.2272 3.2289 3.4672 3.4707 3.8943 3.9005 4.3203 4.3235 4.4224 4.4253 4.5512 4.5538 7.1015 7.1062 7.1613 7.1724 7.1829 7.1971 7.3247 7.3414 7.3970 7.4250 7.5138 7.5351 7.8506 7.8571 7.8984 7.9077 8.1582 8.1612 8.5405 8.5429 10.5150 10.5156 12.8492 12.8546 13.7168 13.7254 k = 0.1757 0.0270 0.0341 ( 4504 PWs) bands (ev): -16.3452 -16.3452 -14.9270 -14.9270 -13.8189 -13.8183 -13.1021 -13.1011 -12.9559 -12.9552 -12.7971 -12.7963 -12.5496 -12.5482 -4.8259 -4.8257 -2.5222 -2.5215 -1.4258 -1.4225 -0.6328 -0.6295 -0.3211 -0.3198 -0.0517 -0.0461 0.2571 0.2609 0.5466 0.5476 1.2144 1.2182 1.5399 1.5442 1.7784 1.7880 2.1052 2.1094 2.4705 2.4768 2.7030 2.7128 2.9397 2.9422 3.2251 3.2269 3.4572 3.4610 3.8870 3.8935 4.3292 4.3324 4.4235 4.4265 4.5584 4.5611 7.1022 7.1071 7.1614 7.1733 7.1819 7.1962 7.3259 7.3433 7.3997 7.4288 7.5114 7.5339 7.8536 7.8601 7.9019 7.9111 8.1723 8.1754 8.5540 8.5564 10.5725 10.5732 12.8540 12.8597 13.6959 13.7045 k = 0.1892 0.0291 0.0368 ( 4503 PWs) bands (ev): -16.3403 -16.3403 -14.9272 -14.9271 -13.8161 -13.8155 -13.1053 -13.1042 -12.9620 -12.9614 -12.7988 -12.7980 -12.5511 -12.5497 -4.8318 -4.8316 -2.4852 -2.4844 -1.4490 -1.4457 -0.6549 -0.6513 -0.2979 -0.2965 -0.0670 -0.0618 0.2772 0.2810 0.5605 0.5614 1.2099 1.2139 1.5436 1.5481 1.7657 1.7755 2.1147 2.1190 2.4664 2.4726 2.6934 2.7031 2.9129 2.9157 3.2236 3.2254 3.4469 3.4508 3.8804 3.8872 4.3363 4.3394 4.4241 4.4270 4.5684 4.5712 7.1027 7.1078 7.1616 7.1741 7.1810 7.1954 7.3276 7.3454 7.4022 7.4324 7.5088 7.5326 7.8568 7.8631 7.9061 7.9151 8.1873 8.1904 8.5681 8.5706 10.6328 10.6335 12.8596 12.8657 13.6729 13.6813 k = 0.2027 0.0311 0.0394 ( 4506 PWs) bands (ev): -16.3353 -16.3353 -14.9273 -14.9272 -13.8132 -13.8126 -13.1091 -13.1079 -12.9681 -12.9675 -12.8004 -12.7995 -12.5527 -12.5513 -4.8379 -4.8378 -2.4462 -2.4453 -1.4719 -1.4686 -0.6775 -0.6736 -0.2751 -0.2734 -0.0833 -0.0786 0.2974 0.3013 0.5753 0.5761 1.2066 1.2107 1.5457 1.5505 1.7530 1.7631 2.1231 2.1273 2.4631 2.4691 2.6826 2.6920 2.8852 2.8881 3.2226 3.2244 3.4362 3.4403 3.8747 3.8817 4.3416 4.3445 4.4238 4.4267 4.5814 4.5841 7.1030 7.1081 7.1618 7.1749 7.1801 7.1945 7.3296 7.3477 7.4043 7.4356 7.5061 7.5310 7.8600 7.8660 7.9112 7.9197 8.2030 8.2060 8.5826 8.5851 10.6954 10.6962 12.8662 12.8724 13.6478 13.6560 k = 0.2162 0.0332 0.0420 ( 4504 PWs) bands (ev): -16.3300 -16.3300 -14.9275 -14.9274 -13.8100 -13.8094 -13.1138 -13.1125 -12.9739 -12.9733 -12.8017 -12.8009 -12.5544 -12.5530 -4.8442 -4.8440 -2.4053 -2.4043 -1.4943 -1.4910 -0.7002 -0.6959 -0.2543 -0.2523 -0.0992 -0.0950 0.3175 0.3215 0.5910 0.5916 1.2044 1.2088 1.5461 1.5511 1.7407 1.7510 2.1301 2.1343 2.4604 2.4661 2.6709 2.6799 2.8570 2.8600 3.2222 3.2239 3.4252 3.4295 3.8700 3.8771 4.3455 4.3482 4.4224 4.4252 4.5969 4.5995 7.1032 7.1084 7.1620 7.1756 7.1793 7.1938 7.3320 7.3502 7.4062 7.4385 7.5033 7.5292 7.8631 7.8687 7.9171 7.9251 8.2193 8.2223 8.5975 8.6000 10.7601 10.7609 12.8736 12.8801 13.6208 13.6287 k = 0.2297 0.0353 0.0447 ( 4502 PWs) bands (ev): -16.3247 -16.3247 -14.9276 -14.9276 -13.8067 -13.8060 -13.1193 -13.1179 -12.9794 -12.9788 -12.8029 -12.8020 -12.5561 -12.5547 -4.8505 -4.8503 -2.3626 -2.3616 -1.5161 -1.5128 -0.7226 -0.7180 -0.2385 -0.2357 -0.1118 -0.1084 0.3371 0.3412 0.6074 0.6080 1.2035 1.2081 1.5447 1.5500 1.7286 1.7391 2.1356 2.1399 2.4578 2.4632 2.6585 2.6670 2.8291 2.8320 3.2221 3.2238 3.4140 3.4185 3.8662 3.8734 4.3483 4.3509 4.4199 4.4225 4.6146 4.6171 7.1033 7.1083 7.1622 7.1762 7.1787 7.1932 7.3346 7.3530 7.4077 7.4408 7.5005 7.5273 7.8660 7.8712 7.9239 7.9313 8.2361 8.2391 8.6127 8.6152 10.8263 10.8272 12.8819 12.8886 13.5921 13.5995 k = 0.2432 0.0374 0.0473 ( 4502 PWs) bands (ev): -16.3192 -16.3192 -14.9279 -14.9278 -13.8032 -13.8025 -13.1258 -13.1243 -12.9843 -12.9838 -12.8038 -12.8030 -12.5579 -12.5565 -4.8569 -4.8567 -2.3184 -2.3173 -1.5371 -1.5339 -0.7446 -0.7397 -0.2322 -0.2284 -0.1165 -0.1141 0.3561 0.3603 0.6245 0.6251 1.2039 1.2088 1.5414 1.5470 1.7169 1.7276 2.1396 2.1440 2.4551 2.4601 2.6457 2.6537 2.8019 2.8047 3.2223 3.2239 3.4027 3.4073 3.8634 3.8707 4.3505 4.3529 4.4162 4.4187 4.6339 4.6362 7.1032 7.1081 7.1624 7.1767 7.1781 7.1926 7.3375 7.3558 7.4088 7.4427 7.4978 7.5253 7.8688 7.8735 7.9315 7.9382 8.2533 8.2563 8.6280 8.6306 10.8938 10.8948 12.8910 12.8978 13.5618 13.5688 k = 0.2568 0.0394 0.0499 ( 4506 PWs) bands (ev): -16.3137 -16.3137 -14.9281 -14.9281 -13.7995 -13.7988 -13.1331 -13.1315 -12.9887 -12.9882 -12.8046 -12.8038 -12.5597 -12.5583 -4.8632 -4.8630 -2.2728 -2.2716 -1.5574 -1.5543 -0.7660 -0.7609 -0.2388 -0.2342 -0.1100 -0.1084 0.3743 0.3786 0.6422 0.6427 1.2055 1.2106 1.5363 1.5420 1.7058 1.7167 2.1420 2.1464 2.4515 2.4561 2.6326 2.6401 2.7764 2.7788 3.2226 3.2241 3.3914 3.3962 3.8616 3.8690 4.3522 4.3545 4.4116 4.4140 4.6542 4.6563 7.1030 7.1077 7.1626 7.1768 7.1779 7.1922 7.3405 7.3587 7.4094 7.4439 7.4952 7.5233 7.8713 7.8755 7.9398 7.9458 8.2708 8.2737 8.6434 8.6460 10.9623 10.9632 12.9008 12.9078 13.5302 13.5367 k = 0.2703 0.0415 0.0525 ( 4504 PWs) bands (ev): -16.3082 -16.3082 -14.9284 -14.9283 -13.7956 -13.7949 -13.1413 -13.1397 -12.9925 -12.9919 -12.8053 -12.8044 -12.5615 -12.5602 -4.8695 -4.8693 -2.2261 -2.2248 -1.5768 -1.5738 -0.7867 -0.7813 -0.2560 -0.2510 -0.0945 -0.0934 0.3917 0.3961 0.6602 0.6607 1.2084 1.2137 1.5292 1.5351 1.6952 1.7062 2.1428 2.1473 2.4466 2.4508 2.6194 2.6264 2.7534 2.7556 3.2230 3.2243 3.3802 3.3852 3.8608 3.8681 4.3535 4.3558 4.4061 4.4085 4.6751 4.6769 7.1026 7.1072 7.1628 7.1764 7.1783 7.1920 7.3436 7.3616 7.4098 7.4446 7.4929 7.5212 7.8736 7.8774 7.9488 7.9541 8.2885 8.2913 8.6588 8.6613 11.0312 11.0322 12.9113 12.9184 13.4976 13.5035 k = 0.2838 0.0436 0.0552 ( 4507 PWs) bands (ev): -16.3027 -16.3027 -14.9287 -14.9286 -13.7917 -13.7909 -13.1503 -13.1486 -12.9956 -12.9951 -12.8058 -12.8049 -12.5634 -12.5621 -4.8757 -4.8755 -2.1784 -2.1770 -1.5953 -1.5925 -0.8066 -0.8010 -0.2797 -0.2744 -0.0742 -0.0733 0.4082 0.4126 0.6783 0.6789 1.2123 1.2179 1.5202 1.5262 1.6854 1.6965 2.1420 2.1465 2.4400 2.4437 2.6057 2.6125 2.7338 2.7359 3.2232 3.2244 3.3694 3.3745 3.8610 3.8682 4.3546 4.3570 4.3999 4.4024 4.6961 4.6978 7.1022 7.1065 7.1629 7.1758 7.1788 7.1918 7.3467 7.3644 7.4098 7.4447 7.4909 7.5191 7.8757 7.8790 7.9582 7.9629 8.3062 8.3089 8.6741 8.6765 11.1002 11.1013 12.9222 12.9294 13.4642 13.4696 k = 0.2973 0.0457 0.0578 ( 4508 PWs) bands (ev): -16.2973 -16.2972 -14.9290 -14.9289 -13.7876 -13.7868 -13.1598 -13.1581 -12.9982 -12.9977 -12.8061 -12.8053 -12.5652 -12.5639 -4.8817 -4.8815 -2.1300 -2.1285 -1.6128 -1.6102 -0.8256 -0.8197 -0.3070 -0.3017 -0.0519 -0.0511 0.4238 0.4282 0.6965 0.6972 1.2174 1.2232 1.5093 1.5153 1.6763 1.6874 2.1398 2.1443 2.4312 2.4345 2.5914 2.5979 2.7186 2.7209 3.2231 3.2242 3.3589 3.3643 3.8620 3.8691 4.3553 4.3580 4.3933 4.3960 4.7170 4.7186 7.1017 7.1058 7.1630 7.1752 7.1794 7.1918 7.3497 7.3670 7.4096 7.4442 7.4892 7.5170 7.8775 7.8804 7.9680 7.9721 8.3237 8.3263 8.6890 8.6914 11.1691 11.1702 12.9333 12.9406 13.4303 13.4351 k = 0.3108 0.0477 0.0604 ( 4508 PWs) bands (ev): -16.2919 -16.2919 -14.9293 -14.9293 -13.7834 -13.7827 -13.1698 -13.1681 -13.0002 -12.9997 -12.8064 -12.8056 -12.5670 -12.5658 -4.8875 -4.8873 -2.0812 -2.0795 -1.6292 -1.6268 -0.8436 -0.8375 -0.3368 -0.3314 -0.0288 -0.0280 0.4384 0.4427 0.7145 0.7153 1.2235 1.2295 1.4967 1.5026 1.6681 1.6792 2.1362 2.1407 2.4201 2.4230 2.5764 2.5827 2.7082 2.7108 3.2226 3.2237 3.3491 3.3547 3.8638 3.8707 4.3554 4.3586 4.3866 4.3896 4.7375 4.7389 7.1012 7.1051 7.1632 7.1746 7.1800 7.1919 7.3527 7.3693 7.4093 7.4434 7.4877 7.5149 7.8792 7.8817 7.9780 7.9817 8.3410 8.3435 8.7037 8.7059 11.2372 11.2384 12.9445 12.9518 13.3963 13.4006 k = 0.3243 0.0498 0.0630 ( 4506 PWs) bands (ev): -16.2868 -16.2867 -14.9297 -14.9296 -13.7792 -13.7784 -13.1801 -13.1784 -13.0018 -13.0013 -12.8065 -12.8058 -12.5688 -12.5676 -4.8931 -4.8930 -2.0322 -2.0303 -1.6445 -1.6424 -0.8605 -0.8541 -0.3682 -0.3628 -0.0055 -0.0049 0.4521 0.4564 0.7322 0.7331 1.2304 1.2366 1.4824 1.4883 1.6609 1.6718 2.1315 2.1360 2.4066 2.4093 2.5614 2.5672 2.7025 2.7052 3.2216 3.2229 3.3401 3.3458 3.8664 3.8731 4.3545 4.3584 4.3803 4.3839 4.7573 4.7586 7.1007 7.1043 7.1633 7.1740 7.1806 7.1919 7.3553 7.3713 7.4090 7.4422 7.4866 7.5129 7.8807 7.8829 7.9882 7.9914 8.3579 8.3602 8.7179 8.7200 11.3043 11.3055 12.9554 12.9627 13.3627 13.3664 k = 0.3378 0.0519 0.0657 ( 4506 PWs) bands (ev): -16.2818 -16.2817 -14.9300 -14.9300 -13.7749 -13.7742 -13.1905 -13.1889 -13.0030 -13.0025 -12.8066 -12.8059 -12.5705 -12.5694 -4.8985 -4.8983 -1.9835 -1.9814 -1.6586 -1.6567 -0.8762 -0.8696 -0.4008 -0.3953 0.0173 0.0180 0.4649 0.4690 0.7493 0.7503 1.2380 1.2442 1.4668 1.4726 1.6545 1.6653 2.1260 2.1305 2.3908 2.3934 2.5470 2.5521 2.7008 2.7035 3.2201 3.2215 3.3319 3.3377 3.8697 3.8761 4.3519 4.3563 4.3758 4.3796 4.7763 4.7775 7.1001 7.1035 7.1635 7.1735 7.1813 7.1920 7.3577 7.3728 7.4088 7.4409 7.4857 7.5108 7.8820 7.8840 7.9983 8.0011 8.3742 8.3765 8.7315 8.7336 11.3698 11.3711 12.9655 12.9729 13.3300 13.3331 k = 0.3514 0.0540 0.0683 ( 4506 PWs) bands (ev): -16.2770 -16.2770 -14.9304 -14.9303 -13.7707 -13.7700 -13.2009 -13.1993 -13.0039 -13.0034 -12.8066 -12.8059 -12.5721 -12.5711 -4.9036 -4.9034 -1.9355 -1.9331 -1.6712 -1.6698 -0.8906 -0.8838 -0.4343 -0.4287 0.0396 0.0402 0.4768 0.4807 0.7657 0.7668 1.2459 1.2521 1.4504 1.4560 1.6491 1.6596 2.1200 2.1244 2.3730 2.3755 2.5340 2.5383 2.7020 2.7046 3.2179 3.2195 3.3247 3.3306 3.8735 3.8796 4.3473 4.3514 4.3738 4.3773 4.7943 4.7953 7.0996 7.1026 7.1637 7.1730 7.1819 7.1921 7.3598 7.3738 7.4089 7.4395 7.4850 7.5087 7.8831 7.8849 8.0082 8.0106 8.3899 8.3920 8.7445 8.7464 11.4335 11.4348 12.9743 12.9818 13.2988 13.3014 k = 0.3649 0.0560 0.0709 ( 4504 PWs) bands (ev): -16.2725 -16.2725 -14.9307 -14.9307 -13.7665 -13.7658 -13.2110 -13.2095 -13.0045 -13.0040 -12.8066 -12.8059 -12.5737 -12.5727 -4.9083 -4.9081 -1.8888 -1.8861 -1.6823 -1.6813 -0.9037 -0.8966 -0.4682 -0.4626 0.0610 0.0615 0.4878 0.4915 0.7813 0.7825 1.2536 1.2598 1.4338 1.4393 1.6445 1.6547 2.1137 2.1181 2.3534 2.3561 2.5228 2.5263 2.7052 2.7076 3.2153 3.2170 3.3186 3.3243 3.8777 3.8835 4.3410 4.3445 4.3737 4.3766 4.8112 4.8121 7.0991 7.1019 7.1640 7.1726 7.1825 7.1921 7.3614 7.3741 7.4095 7.4382 7.4845 7.5067 7.8842 7.8857 8.0177 8.0198 8.4048 8.4067 8.7568 8.7585 11.4947 11.4960 12.9813 12.9889 13.2697 13.2720 k = 0.3784 0.0581 0.0736 ( 4504 PWs) bands (ev): -16.2683 -16.2683 -14.9311 -14.9311 -13.7625 -13.7618 -13.2207 -13.2194 -13.0048 -13.0044 -12.8065 -12.8059 -12.5751 -12.5742 -4.9127 -4.9125 -1.8443 -1.8411 -1.6915 -1.6907 -0.9153 -0.9080 -0.5022 -0.4965 0.0814 0.0818 0.4978 0.5013 0.7960 0.7972 1.2606 1.2666 1.4178 1.4231 1.6407 1.6505 2.1076 2.1119 2.3325 2.3355 2.5135 2.5163 2.7097 2.7119 3.2123 3.2141 3.3134 3.3189 3.8823 3.8877 4.3338 4.3367 4.3746 4.3769 4.8268 4.8276 7.0986 7.1012 7.1643 7.1722 7.1831 7.1921 7.3626 7.3740 7.4105 7.4370 7.4841 7.5047 7.8851 7.8864 8.0268 8.0287 8.4187 8.4204 8.7682 8.7698 11.5530 11.5543 12.9858 12.9933 13.2438 13.2459 k = 0.3919 0.0602 0.0762 ( 4505 PWs) bands (ev): -16.2644 -16.2644 -14.9314 -14.9314 -13.7586 -13.7580 -13.2299 -13.2287 -13.0051 -13.0047 -12.8064 -12.8058 -12.5765 -12.5757 -4.9166 -4.9165 -1.8038 -1.7998 -1.6979 -1.6963 -0.9253 -0.9180 -0.5359 -0.5302 0.1004 0.1008 0.5069 0.5101 0.8096 0.8108 1.2660 1.2716 1.4035 1.4086 1.6377 1.6469 2.1020 2.1062 2.3111 2.3143 2.5061 2.5083 2.7149 2.7168 3.2091 3.2109 3.3092 3.3144 3.8871 3.8921 4.3262 4.3288 4.3759 4.3777 4.8410 4.8417 7.0982 7.1004 7.1647 7.1718 7.1837 7.1920 7.3634 7.3733 7.4119 7.4360 7.4838 7.5026 7.8859 7.8870 8.0353 8.0369 8.4315 8.4330 8.7787 8.7801 11.6079 11.6092 12.9869 12.9942 13.2218 13.2241 k = 0.4054 0.0623 0.0788 ( 4504 PWs) bands (ev): -16.2609 -16.2609 -14.9317 -14.9317 -13.7550 -13.7544 -13.2385 -13.2373 -13.0052 -13.0048 -12.8063 -12.8058 -12.5777 -12.5770 -4.9202 -4.9201 -1.7716 -1.7665 -1.6977 -1.6949 -0.9337 -0.9264 -0.5688 -0.5632 0.1180 0.1183 0.5150 0.5179 0.8220 0.8233 1.2688 1.2738 1.3922 1.3971 1.6353 1.6439 2.0971 2.1011 2.2898 2.2930 2.5004 2.5021 2.7202 2.7219 3.2058 3.2075 3.3058 3.3106 3.8920 3.8964 4.3187 4.3209 4.3773 4.3787 4.8537 4.8543 7.0978 7.0998 7.1651 7.1715 7.1843 7.1918 7.3639 7.3723 7.4136 7.4351 7.4836 7.5006 7.8866 7.8876 8.0432 8.0445 8.4431 8.4445 8.7881 8.7894 11.6587 11.6600 12.9842 12.9913 13.2047 13.2072 k = 0.4189 0.0643 0.0814 ( 4508 PWs) bands (ev): -16.2578 -16.2578 -14.9320 -14.9320 -13.7516 -13.7512 -13.2461 -13.2452 -13.0052 -13.0049 -12.8061 -12.8057 -12.5787 -12.5781 -4.9234 -4.9233 -1.7541 -1.7490 -1.6837 -1.6804 -0.9404 -0.9332 -0.6003 -0.5948 0.1338 0.1341 0.5222 0.5247 0.8333 0.8345 1.2682 1.2724 1.3851 1.3896 1.6335 1.6413 2.0931 2.0969 2.2692 2.2724 2.4960 2.4974 2.7253 2.7269 3.2026 3.2042 3.3031 3.3074 3.8967 3.9006 4.3117 4.3135 4.3787 4.3798 4.8649 4.8654 7.0975 7.0992 7.1656 7.1712 7.1848 7.1914 7.3641 7.3711 7.4156 7.4343 7.4836 7.4986 7.8871 7.8880 8.0502 8.0513 8.4533 8.4546 8.7965 8.7977 11.7049 11.7061 12.9780 12.9845 13.1927 13.1952 k = 0.4324 0.0664 0.0841 ( 4507 PWs) bands (ev): -16.2552 -16.2552 -14.9323 -14.9323 -13.7487 -13.7483 -13.2529 -13.2520 -13.0052 -13.0049 -12.8060 -12.8056 -12.5796 -12.5791 -4.9261 -4.9260 -1.7496 -1.7458 -1.6581 -1.6556 -0.9454 -0.9385 -0.6296 -0.6243 0.1477 0.1479 0.5284 0.5305 0.8432 0.8443 1.2641 1.2674 1.3821 1.3862 1.6322 1.6391 2.0901 2.0936 2.2500 2.2531 2.4929 2.4939 2.7301 2.7314 3.1997 3.2011 3.3011 3.3047 3.9012 3.9045 4.3052 4.3068 4.3800 4.3809 4.8745 4.8749 7.0972 7.0986 7.1661 7.1709 7.1854 7.1911 7.3642 7.3699 7.4176 7.4335 7.4838 7.4966 7.8877 7.8884 8.0563 8.0572 8.4623 8.4633 8.8038 8.8047 11.7457 11.7468 12.9691 12.9748 13.1853 13.1876 k = 0.4459 0.0685 0.0867 ( 4510 PWs) bands (ev): -16.2530 -16.2530 -14.9325 -14.9325 -13.7461 -13.7458 -13.2585 -13.2578 -13.0051 -13.0049 -12.8058 -12.8055 -12.5804 -12.5800 -4.9283 -4.9282 -1.7502 -1.7475 -1.6310 -1.6292 -0.9487 -0.9424 -0.6558 -0.6510 0.1594 0.1596 0.5335 0.5353 0.8517 0.8527 1.2578 1.2603 1.3825 1.3860 1.6314 1.6372 2.0882 2.0914 2.2329 2.2357 2.4906 2.4914 2.7342 2.7352 3.1972 3.1984 3.2996 3.3026 3.9052 3.9079 4.2997 4.3010 4.3811 4.3818 4.8824 4.8828 7.0970 7.0982 7.1667 7.1705 7.1860 7.1906 7.3642 7.3686 7.4198 7.4327 7.4842 7.4947 7.8881 7.8886 8.0614 8.0622 8.4697 8.4705 8.8098 8.8105 11.7805 11.7815 12.9590 12.9636 13.1815 13.1834 k = 0.4595 0.0706 0.0893 ( 4510 PWs) bands (ev): -16.2512 -16.2512 -14.9327 -14.9327 -13.7441 -13.7438 -13.2630 -13.2625 -13.0051 -13.0049 -12.8057 -12.8055 -12.5810 -12.5807 -4.9300 -4.9300 -1.7520 -1.7501 -1.6074 -1.6060 -0.9504 -0.9451 -0.6778 -0.6738 0.1688 0.1689 0.5376 0.5390 0.8586 0.8594 1.2508 1.2527 1.3846 1.3874 1.6310 1.6355 2.0874 2.0900 2.2186 2.2209 2.4891 2.4896 2.7376 2.7384 3.1952 3.1961 3.2986 3.3008 3.9086 3.9107 4.2952 4.2961 4.3821 4.3826 4.8887 4.8889 7.0969 7.0978 7.1673 7.1702 7.1865 7.1901 7.3641 7.3674 7.4219 7.4317 7.4848 7.4929 7.8884 7.8888 8.0655 8.0661 8.4755 8.4762 8.8146 8.8151 11.8086 11.8093 12.9492 12.9528 13.1799 13.1814 k = 0.4730 0.0726 0.0919 ( 4511 PWs) bands (ev): -16.2500 -16.2500 -14.9328 -14.9328 -13.7426 -13.7424 -13.2663 -13.2659 -13.0050 -13.0049 -12.8056 -12.8055 -12.5814 -12.5812 -4.9313 -4.9312 -1.7536 -1.7525 -1.5893 -1.5883 -0.9508 -0.9469 -0.6945 -0.6915 0.1756 0.1757 0.5406 0.5415 0.8637 0.8643 1.2449 1.2461 1.3873 1.3892 1.6309 1.6340 2.0873 2.0892 2.2078 2.2095 2.4881 2.4885 2.7401 2.7406 3.1938 3.1944 3.2980 3.2995 3.9113 3.9127 4.2919 4.2925 4.3828 4.3831 4.8931 4.8933 7.0969 7.0975 7.1678 7.1698 7.1871 7.1896 7.3642 7.3663 7.4240 7.4306 7.4857 7.4911 7.8887 7.8890 8.0685 8.0689 8.4798 8.4802 8.8180 8.8184 11.8292 11.8297 12.9413 12.9437 13.1796 13.1806 k = 0.4865 0.0747 0.0946 ( 4509 PWs) bands (ev): -16.2492 -16.2492 -14.9329 -14.9329 -13.7416 -13.7415 -13.2682 -13.2680 -13.0050 -13.0049 -12.8055 -12.8055 -12.5816 -12.5815 -4.9320 -4.9320 -1.7546 -1.7541 -1.5779 -1.5774 -0.9503 -0.9482 -0.7047 -0.7031 0.1798 0.1798 0.5425 0.5430 0.8670 0.8673 1.2410 1.2416 1.3894 1.3904 1.6312 1.6328 2.0877 2.0887 2.2011 2.2021 2.4876 2.4878 2.7417 2.7420 3.1930 3.1933 3.2978 3.2986 3.9131 3.9138 4.2899 4.2902 4.3833 4.3834 4.8959 4.8959 7.0969 7.0972 7.1684 7.1694 7.1877 7.1890 7.3644 7.3655 7.4260 7.4293 7.4867 7.4895 7.8888 7.8890 8.0704 8.0706 8.4824 8.4826 8.8202 8.8204 11.8419 11.8422 12.9364 12.9376 13.1798 13.1803 k = 0.5000 0.0768 0.0972 ( 4502 PWs) bands (ev): -16.2490 -16.2490 -14.9329 -14.9329 -13.7413 -13.7413 -13.2688 -13.2688 -13.0049 -13.0049 -12.8055 -12.8055 -12.5816 -12.5816 -4.9323 -4.9323 -1.7548 -1.7548 -1.5738 -1.5738 -0.9494 -0.9494 -0.7076 -0.7076 0.1812 0.1812 0.5433 0.5433 0.8682 0.8682 1.2398 1.2398 1.3905 1.3905 1.6319 1.6319 2.0883 2.0883 2.1992 2.1992 2.4875 2.4875 2.7423 2.7423 3.1928 3.1928 3.2980 3.2980 3.9139 3.9139 4.2894 4.2894 4.3835 4.3835 4.8968 4.8968 7.0970 7.0970 7.1690 7.1690 7.1884 7.1884 7.3649 7.3649 7.4277 7.4277 7.4880 7.4880 7.8890 7.8890 8.0711 8.0711 8.4833 8.4833 8.8209 8.8209 11.8463 11.8463 12.9351 12.9351 13.1801 13.1801 k = 0.5000-0.3552-0.0223 ( 4508 PWs) bands (ev): -16.1523 -16.1523 -15.1452 -15.1452 -13.6664 -13.6664 -13.1672 -13.1672 -13.0351 -13.0351 -12.7978 -12.7978 -12.6006 -12.6006 -4.9005 -4.9005 -2.4130 -2.4130 -1.5161 -1.5161 -0.9352 -0.9352 -0.4081 -0.4081 -0.1585 -0.1585 0.2833 0.2833 1.2625 1.2625 1.4268 1.4268 1.6471 1.6471 1.7764 1.7764 2.1425 2.1425 2.2670 2.2670 2.8197 2.8197 2.8996 2.8996 3.2534 3.2534 3.4491 3.4491 3.7567 3.7567 4.1207 4.1207 4.4311 4.4311 4.6187 4.6187 7.1136 7.1136 7.1605 7.1605 7.2894 7.2894 7.3403 7.3403 7.4197 7.4197 7.4766 7.4766 7.7824 7.7824 8.0769 8.0769 8.3091 8.3091 8.5324 8.5324 12.6392 12.6392 13.0834 13.0834 13.4334 13.4334 k = 0.4884-0.3470-0.0218 ( 4510 PWs) bands (ev): -16.1526 -16.1526 -15.1451 -15.1451 -13.6664 -13.6664 -13.1671 -13.1669 -13.0350 -13.0349 -12.7978 -12.7977 -12.6007 -12.6007 -4.9008 -4.9007 -2.4125 -2.4124 -1.5161 -1.5160 -0.9364 -0.9361 -0.4070 -0.4066 -0.1583 -0.1582 0.2832 0.2834 1.2615 1.2623 1.4245 1.4254 1.6468 1.6496 1.7755 1.7764 2.1415 2.1421 2.2681 2.2690 2.8162 2.8173 2.9015 2.9026 3.2527 3.2534 3.4498 3.4507 3.7564 3.7569 4.1199 4.1203 4.4310 4.4314 4.6180 4.6184 7.1131 7.1141 7.1599 7.1610 7.2869 7.2916 7.3367 7.3446 7.4184 7.4210 7.4757 7.4777 7.7829 7.7836 8.0756 8.0764 8.3087 8.3093 8.5322 8.5323 12.6310 12.6322 13.0826 13.0852 13.4321 13.4348 k = 0.4767-0.3387-0.0213 ( 4513 PWs) bands (ev): -16.1535 -16.1535 -15.1448 -15.1448 -13.6664 -13.6663 -13.1666 -13.1663 -13.0346 -13.0345 -12.7975 -12.7974 -12.6010 -12.6009 -4.9015 -4.9014 -2.4109 -2.4107 -1.5159 -1.5157 -0.9395 -0.9389 -0.4034 -0.4025 -0.1576 -0.1574 0.2833 0.2836 1.2590 1.2606 1.4191 1.4207 1.6486 1.6539 1.7735 1.7753 2.1391 2.1404 2.2723 2.2741 2.8079 2.8098 2.9076 2.9095 3.2512 3.2526 3.4527 3.4545 3.7560 3.7571 4.1180 4.1186 4.4310 4.4320 4.6163 4.6172 7.1127 7.1146 7.1593 7.1615 7.2841 7.2931 7.3338 7.3493 7.4170 7.4222 7.4751 7.4790 7.7850 7.7864 8.0727 8.0744 8.3082 8.3092 8.5319 8.5321 12.6082 12.6104 13.0826 13.0875 13.4309 13.4360 k = 0.4651-0.3305-0.0207 ( 4514 PWs) bands (ev): -16.1549 -16.1549 -15.1443 -15.1442 -13.6664 -13.6663 -13.1657 -13.1653 -13.0340 -13.0338 -12.7971 -12.7970 -12.6014 -12.6012 -4.9027 -4.9025 -2.4082 -2.4079 -1.5155 -1.5152 -0.9443 -0.9434 -0.3975 -0.3961 -0.1564 -0.1560 0.2834 0.2839 1.2542 1.2569 1.4122 1.4142 1.6518 1.6592 1.7707 1.7735 2.1356 2.1375 2.2793 2.2819 2.7965 2.7989 2.9162 2.9185 3.2493 3.2513 3.4576 3.4603 3.7555 3.7572 4.1149 4.1159 4.4312 4.4327 4.6137 4.6150 7.1124 7.1153 7.1586 7.1619 7.2813 7.2939 7.3320 7.3544 7.4155 7.4234 7.4747 7.4804 7.7888 7.7908 8.0682 8.0707 8.3074 8.3089 8.5315 8.5318 12.5725 12.5755 13.0831 13.0896 13.4298 13.4368 k = 0.4535-0.3222-0.0202 ( 4510 PWs) bands (ev): -16.1569 -16.1569 -15.1435 -15.1434 -13.6664 -13.6663 -13.1645 -13.1639 -13.0331 -13.0328 -12.7966 -12.7964 -12.6019 -12.6017 -4.9043 -4.9041 -2.4045 -2.4041 -1.5151 -1.5148 -0.9505 -0.9494 -0.3897 -0.3880 -0.1544 -0.1539 0.2836 0.2843 1.2461 1.2498 1.4057 1.4079 1.6551 1.6643 1.7675 1.7713 2.1311 2.1336 2.2889 2.2922 2.7832 2.7860 2.9258 2.9285 3.2470 3.2496 3.4643 3.4677 3.7551 3.7574 4.1109 4.1121 4.4315 4.4335 4.6102 4.6119 7.1121 7.1159 7.1580 7.1623 7.2785 7.2938 7.3312 7.3598 7.4139 7.4245 7.4745 7.4820 7.7941 7.7967 8.0623 8.0655 8.3063 8.3082 8.5309 8.5313 12.5261 12.5295 13.0834 13.0911 13.4290 13.4373 k = 0.4419-0.3139-0.0197 ( 4513 PWs) bands (ev): -16.1594 -16.1594 -15.1424 -15.1424 -13.6665 -13.6664 -13.1629 -13.1622 -13.0320 -13.0316 -12.7959 -12.7957 -12.6026 -12.6023 -4.9062 -4.9060 -2.3999 -2.3994 -1.5147 -1.5143 -0.9576 -0.9563 -0.3804 -0.3784 -0.1518 -0.1511 0.2840 0.2849 1.2336 1.2384 1.4013 1.4038 1.6577 1.6681 1.7644 1.7693 2.1257 2.1287 2.3007 2.3047 2.7689 2.7719 2.9358 2.9387 3.2446 3.2476 3.4723 3.4764 3.7550 3.7578 4.1060 4.1075 4.4317 4.4342 4.6060 4.6081 7.1118 7.1164 7.1573 7.1626 7.2757 7.2929 7.3313 7.3653 7.4122 7.4255 7.4744 7.4837 7.8008 7.8039 8.0551 8.0591 8.3048 8.3070 8.5301 8.5306 12.4710 12.4746 13.0832 13.0915 13.4282 13.4373 k = 0.4302-0.3057-0.0192 ( 4512 PWs) bands (ev): -16.1625 -16.1625 -15.1411 -15.1410 -13.6667 -13.6665 -13.1609 -13.1601 -13.0306 -13.0302 -12.7950 -12.7948 -12.6033 -12.6029 -4.9085 -4.9082 -2.3945 -2.3939 -1.5143 -1.5139 -0.9653 -0.9638 -0.3703 -0.3680 -0.1482 -0.1474 0.2845 0.2856 1.2163 1.2220 1.4002 1.4031 1.6584 1.6696 1.7621 1.7680 2.1195 2.1231 2.3144 2.3189 2.7538 2.7570 2.9457 2.9487 3.2423 3.2458 3.4811 3.4858 3.7552 3.7586 4.1004 4.1022 4.4317 4.4347 4.6011 4.6037 7.1116 7.1170 7.1568 7.1629 7.2730 7.2913 7.3322 7.3709 7.4105 7.4266 7.4746 7.4855 7.8088 7.8123 8.0469 8.0515 8.3028 8.3052 8.5293 8.5299 12.4089 12.4127 13.0822 13.0908 13.4274 13.4370 k = 0.4186-0.2974-0.0187 ( 4510 PWs) bands (ev): -16.1661 -16.1661 -15.1394 -15.1394 -13.6671 -13.6669 -13.1585 -13.1576 -13.0289 -13.0285 -12.7941 -12.7939 -12.6040 -12.6036 -4.9110 -4.9107 -2.3884 -2.3876 -1.5141 -1.5136 -0.9730 -0.9714 -0.3599 -0.3574 -0.1436 -0.1427 0.2852 0.2864 1.1945 1.2007 1.4025 1.4060 1.6568 1.6684 1.7610 1.7677 2.1127 2.1168 2.3296 2.3347 2.7383 2.7417 2.9553 2.9585 3.2403 3.2441 3.4901 3.4954 3.7561 3.7600 4.0943 4.0963 4.4314 4.4348 4.5958 4.5989 7.1114 7.1174 7.1562 7.1632 7.2705 7.2893 7.3335 7.3765 7.4087 7.4276 7.4749 7.4874 7.8176 7.8216 8.0380 8.0432 8.3001 8.3027 8.5285 8.5291 12.3414 12.3452 13.0803 13.0890 13.4266 13.4365 k = 0.4070-0.2892-0.0181 ( 4509 PWs) bands (ev): -16.1702 -16.1702 -15.1375 -15.1374 -13.6676 -13.6674 -13.1557 -13.1547 -13.0271 -13.0266 -12.7932 -12.7929 -12.6048 -12.6044 -4.9137 -4.9134 -2.3817 -2.3809 -1.5142 -1.5137 -0.9802 -0.9785 -0.3497 -0.3472 -0.1377 -0.1367 0.2861 0.2875 1.1689 1.1753 1.4079 1.4118 1.6527 1.6643 1.7614 1.7687 2.1052 2.1098 2.3462 2.3517 2.7224 2.7261 2.9645 2.9680 3.2388 3.2429 3.4989 3.5047 3.7579 3.7624 4.0880 4.0902 4.4306 4.4345 4.5901 4.5937 7.1111 7.1177 7.1558 7.1634 7.2682 7.2870 7.3351 7.3820 7.4069 7.4287 7.4753 7.4894 7.8273 7.8315 8.0285 8.0342 8.2969 8.2995 8.5275 8.5282 12.2696 12.2733 13.0778 13.0864 13.4259 13.4359 k = 0.3953-0.2809-0.0176 ( 4508 PWs) bands (ev): -16.1749 -16.1749 -15.1351 -15.1350 -13.6684 -13.6682 -13.1526 -13.1515 -13.0250 -13.0244 -12.7921 -12.7919 -12.6055 -12.6050 -4.9164 -4.9161 -2.3747 -2.3738 -1.5146 -1.5141 -0.9865 -0.9847 -0.3404 -0.3379 -0.1306 -0.1294 0.2873 0.2888 1.1404 1.1469 1.4155 1.4198 1.6464 1.6577 1.7632 1.7709 2.0972 2.1022 2.3638 2.3696 2.7063 2.7103 2.9735 2.9772 3.2379 3.2423 3.5068 3.5130 3.7610 3.7659 4.0816 4.0840 4.4293 4.4337 4.5842 4.5883 7.1109 7.1179 7.1554 7.1636 7.2660 7.2847 7.3367 7.3873 7.4051 7.4297 7.4758 7.4914 7.8372 7.8417 8.0188 8.0249 8.2929 8.2955 8.5266 8.5273 12.1944 12.1979 13.0745 13.0830 13.4254 13.4352 k = 0.3837-0.2726-0.0171 ( 4507 PWs) bands (ev): -16.1800 -16.1800 -15.1324 -15.1323 -13.6695 -13.6693 -13.1491 -13.1479 -13.0227 -13.0221 -12.7911 -12.7909 -12.6061 -12.6056 -4.9192 -4.9189 -2.3675 -2.3666 -1.5154 -1.5150 -0.9916 -0.9897 -0.3324 -0.3300 -0.1220 -0.1207 0.2887 0.2905 1.1097 1.1161 1.4242 1.4288 1.6384 1.6493 1.7662 1.7741 2.0887 2.0941 2.3821 2.3883 2.6900 2.6943 2.9821 2.9862 3.2377 3.2424 3.5132 3.5198 3.7657 3.7710 4.0753 4.0779 4.4272 4.4322 4.5783 4.5828 7.1106 7.1180 7.1551 7.1637 7.2640 7.2823 7.3382 7.3919 7.4037 7.4308 7.4764 7.4936 7.8472 7.8518 8.0091 8.0157 8.2882 8.2907 8.5256 8.5263 12.1165 12.1199 13.0707 13.0790 13.4251 13.4348 k = 0.3721-0.2644-0.0166 ( 4505 PWs) bands (ev): -16.1856 -16.1856 -15.1293 -15.1292 -13.6710 -13.6707 -13.1452 -13.1441 -13.0202 -13.0196 -12.7902 -12.7899 -12.6065 -12.6061 -4.9219 -4.9216 -2.3605 -2.3595 -1.5166 -1.5162 -0.9950 -0.9930 -0.3260 -0.3238 -0.1121 -0.1105 0.2905 0.2924 1.0776 1.0838 1.4331 1.4379 1.6295 1.6401 1.7702 1.7781 2.0797 2.0855 2.4009 2.4074 2.6735 2.6782 2.9906 2.9950 3.2382 3.2433 3.5177 3.5245 3.7722 3.7779 4.0694 4.0721 4.4246 4.4299 4.5725 4.5775 7.1102 7.1179 7.1549 7.1638 7.2622 7.2800 7.3395 7.3949 7.4036 7.4318 7.4771 7.4958 7.8568 7.8614 7.9999 8.0069 8.2827 8.2852 8.5245 8.5253 12.0365 12.0398 13.0665 13.0745 13.4252 13.4347 k = 0.3605-0.2561-0.0161 ( 4499 PWs) bands (ev): -16.1916 -16.1916 -15.1257 -15.1256 -13.6728 -13.6726 -13.1411 -13.1399 -13.0174 -13.0168 -12.7893 -12.7890 -12.6068 -12.6063 -4.9244 -4.9241 -2.3538 -2.3528 -1.5182 -1.5179 -0.9965 -0.9945 -0.3214 -0.3193 -0.1010 -0.0992 0.2926 0.2946 1.0444 1.0505 1.4411 1.4461 1.6208 1.6309 1.7751 1.7829 2.0703 2.0765 2.4201 2.4267 2.6571 2.6622 2.9990 3.0038 3.2396 3.2450 3.5199 3.5269 3.7806 3.7865 4.0640 4.0668 4.4212 4.4269 4.5668 4.5722 7.1098 7.1177 7.1547 7.1638 7.2605 7.2778 7.3406 7.3950 7.4061 7.4328 7.4778 7.4981 7.8655 7.8701 7.9916 7.9989 8.2765 8.2788 8.5234 8.5243 11.9549 11.9581 13.0619 13.0696 13.4259 13.4351 k = 0.3488-0.2478-0.0156 ( 4500 PWs) bands (ev): -16.1981 -16.1981 -15.1217 -15.1216 -13.6751 -13.6748 -13.1368 -13.1356 -13.0145 -13.0139 -12.7884 -12.7882 -12.6068 -12.6064 -4.9267 -4.9263 -2.3477 -2.3467 -1.5201 -1.5198 -0.9959 -0.9938 -0.3186 -0.3168 -0.0889 -0.0868 0.2951 0.2972 1.0106 1.0165 1.4471 1.4522 1.6129 1.6227 1.7810 1.7886 2.0607 2.0673 2.4391 2.4459 2.6407 2.6462 3.0073 3.0125 3.2418 3.2476 3.5198 3.5267 3.7909 3.7969 4.0595 4.0624 4.4171 4.4232 4.5613 4.5671 7.1094 7.1174 7.1546 7.1638 7.2589 7.2756 7.3415 7.3933 7.4097 7.4336 7.4786 7.5006 7.8726 7.8771 7.9846 7.9921 8.2695 8.2717 8.5223 8.5232 11.8721 11.8752 13.0569 13.0643 13.4274 13.4363 k = 0.3372-0.2396-0.0150 ( 4502 PWs) bands (ev): -16.2049 -16.2049 -15.1173 -15.1171 -13.6779 -13.6776 -13.1323 -13.1311 -13.0114 -13.0107 -12.7877 -12.7875 -12.6066 -12.6062 -4.9286 -4.9282 -2.3426 -2.3416 -1.5222 -1.5217 -0.9930 -0.9909 -0.3177 -0.3161 -0.0761 -0.0737 0.2978 0.3001 0.9766 0.9822 1.4501 1.4551 1.6068 1.6161 1.7879 1.7954 2.0509 2.0577 2.4578 2.4646 2.6248 2.6308 3.0158 3.0213 3.2449 3.2510 3.5172 3.5240 3.8026 3.8086 4.0559 4.0590 4.4125 4.4189 4.5560 4.5621 7.1090 7.1169 7.1544 7.1637 7.2574 7.2734 7.3421 7.3910 7.4133 7.4343 7.4795 7.5031 7.8778 7.8821 7.9794 7.9871 8.2619 8.2639 8.5211 8.5221 11.7885 11.7915 13.0515 13.0586 13.4300 13.4384 k = 0.3256-0.2313-0.0145 ( 4502 PWs) bands (ev): -16.2121 -16.2120 -15.1124 -15.1122 -13.6811 -13.6808 -13.1276 -13.1264 -13.0080 -13.0074 -12.7872 -12.7870 -12.6060 -12.6056 -4.9300 -4.9297 -2.3388 -2.3378 -1.5241 -1.5235 -0.9878 -0.9856 -0.3185 -0.3171 -0.0628 -0.0602 0.3008 0.3032 0.9425 0.9478 1.4494 1.4543 1.6027 1.6116 1.7961 1.8034 2.0411 2.0482 2.4753 2.4819 2.6099 2.6165 3.0243 3.0303 3.2488 3.2553 3.5124 3.5191 3.8154 3.8214 4.0537 4.0568 4.4073 4.4140 4.5510 4.5574 7.1085 7.1164 7.1543 7.1636 7.2560 7.2712 7.3425 7.3886 7.4165 7.4349 7.4806 7.5057 7.8806 7.8846 7.9765 7.9841 8.2537 8.2555 8.5198 8.5208 11.7044 11.7074 13.0457 13.0525 13.4338 13.4418 k = 0.3140-0.2231-0.0140 ( 4504 PWs) bands (ev): -16.2196 -16.2195 -15.1069 -15.1068 -13.6848 -13.6845 -13.1229 -13.1218 -13.0045 -13.0039 -12.7867 -12.7865 -12.6052 -12.6047 -4.9310 -4.9306 -2.3366 -2.3356 -1.5257 -1.5248 -0.9802 -0.9779 -0.3210 -0.3197 -0.0495 -0.0467 0.3040 0.3065 0.9085 0.9137 1.4450 1.4496 1.6005 1.6090 1.8057 1.8128 2.0313 2.0386 2.4905 2.4965 2.5975 2.6047 3.0329 3.0392 3.2536 3.2604 3.5057 3.5121 3.8288 3.8347 4.0531 4.0562 4.4018 4.4086 4.5462 4.5528 7.1080 7.1159 7.1541 7.1635 7.2546 7.2690 7.3427 7.3859 7.4191 7.4352 7.4818 7.5084 7.8809 7.8846 7.9756 7.9830 8.2449 8.2466 8.5183 8.5195 11.6201 11.6230 13.0394 13.0459 13.4391 13.4465 k = 0.3023-0.2148-0.0135 ( 4505 PWs) bands (ev): -16.2273 -16.2273 -15.1011 -15.1009 -13.6890 -13.6887 -13.1183 -13.1172 -13.0008 -13.0002 -12.7865 -12.7862 -12.6039 -12.6035 -4.9313 -4.9309 -2.3363 -2.3353 -1.5265 -1.5254 -0.9703 -0.9680 -0.3248 -0.3237 -0.0364 -0.0334 0.3073 0.3099 0.8750 0.8800 1.4373 1.4416 1.5995 1.6076 1.8169 1.8238 2.0218 2.0293 2.5009 2.5057 2.5900 2.5980 3.0416 3.0482 3.2591 3.2662 3.4973 3.5035 3.8423 3.8480 4.0543 4.0575 4.3959 4.4029 4.5415 4.5483 7.1075 7.1153 7.1538 7.1633 7.2531 7.2669 7.3428 7.3832 7.4209 7.4354 7.4833 7.5111 7.8790 7.8825 7.9764 7.9835 8.2357 8.2374 8.5168 8.5181 11.5359 11.5387 13.0326 13.0388 13.4460 13.4528 k = 0.2907-0.2065-0.0130 ( 4504 PWs) bands (ev): -16.2353 -16.2352 -15.0947 -15.0946 -13.6936 -13.6934 -13.1137 -13.1127 -12.9968 -12.9963 -12.7863 -12.7860 -12.6024 -12.6019 -4.9310 -4.9306 -2.3383 -2.3373 -1.5262 -1.5249 -0.9582 -0.9558 -0.3301 -0.3291 -0.0237 -0.0205 0.3105 0.3131 0.8421 0.8470 1.4271 1.4311 1.5989 1.6065 1.8295 1.8362 2.0129 2.0204 2.5033 2.5068 2.5903 2.5992 3.0503 3.0572 3.2653 3.2727 3.4877 3.4937 3.8552 3.8607 4.0577 4.0609 4.3899 4.3970 4.5370 4.5440 7.1070 7.1148 7.1535 7.1631 7.2516 7.2647 7.3428 7.3805 7.4218 7.4355 7.4850 7.5138 7.8756 7.8791 7.9781 7.9849 8.2261 8.2278 8.5152 8.5165 11.4520 11.4547 13.0253 13.0312 13.4546 13.4609 k = 0.2791-0.1983-0.0124 ( 4508 PWs) bands (ev): -16.2434 -16.2434 -15.0880 -15.0878 -13.6988 -13.6985 -13.1093 -13.1083 -12.9927 -12.9922 -12.7863 -12.7860 -12.6004 -12.6000 -4.9299 -4.9296 -2.3426 -2.3417 -1.5245 -1.5229 -0.9439 -0.9415 -0.3365 -0.3357 -0.0116 -0.0082 0.3134 0.3161 0.8100 0.8147 1.4154 1.4191 1.5977 1.6050 1.8433 1.8496 2.0047 2.0122 2.4969 2.5004 2.5988 2.6085 3.0589 3.0659 3.2721 3.2798 3.4772 3.4829 3.8671 3.8724 4.0633 4.0666 4.3838 4.3909 4.5326 4.5397 7.1065 7.1142 7.1531 7.1628 7.2500 7.2624 7.3426 7.3777 7.4219 7.4353 7.4869 7.5165 7.8714 7.8747 7.9800 7.9865 8.2162 8.2180 8.5134 8.5148 11.3687 11.3713 13.0174 13.0230 13.4651 13.4707 k = 0.2674-0.1900-0.0119 ( 4508 PWs) bands (ev): -16.2517 -16.2516 -15.0808 -15.0806 -13.7044 -13.7041 -13.1052 -13.1043 -12.9884 -12.9879 -12.7864 -12.7859 -12.5982 -12.5977 -4.9281 -4.9278 -2.3497 -2.3488 -1.5211 -1.5193 -0.9277 -0.9253 -0.3440 -0.3433 -0.0002 0.0033 0.3157 0.3185 0.7787 0.7834 1.4028 1.4062 1.5957 1.6027 1.8577 1.8636 1.9978 2.0051 2.4851 2.4893 2.6124 2.6227 3.0672 3.0743 3.2793 3.2872 3.4663 3.4718 3.8778 3.8828 4.0714 4.0747 4.3777 4.3848 4.5284 4.5356 7.1060 7.1137 7.1526 7.1626 7.2484 7.2601 7.3424 7.3749 7.4212 7.4349 7.4890 7.5191 7.8667 7.8701 7.9816 7.9878 8.2062 8.2081 8.5115 8.5130 11.2861 11.2887 13.0089 13.0141 13.4774 13.4823 k = 0.2558-0.1818-0.0114 ( 4506 PWs) bands (ev): -16.2600 -16.2600 -15.0732 -15.0730 -13.7104 -13.7101 -13.1014 -13.1006 -12.9839 -12.9834 -12.7865 -12.7860 -12.5956 -12.5951 -4.9255 -4.9252 -2.3594 -2.3586 -1.5158 -1.5138 -0.9096 -0.9072 -0.3525 -0.3519 0.0104 0.0141 0.3173 0.3201 0.7486 0.7532 1.3899 1.3931 1.5925 1.5993 1.8718 1.8770 1.9929 1.9996 2.4710 2.4759 2.6286 2.6392 3.0752 3.0823 3.2868 3.2948 3.4555 3.4606 3.8870 3.8918 4.0818 4.0851 4.3717 4.3787 4.5243 4.5316 7.1055 7.1133 7.1521 7.1623 7.2466 7.2576 7.3421 7.3722 7.4199 7.4341 7.4913 7.5217 7.8621 7.8654 7.9826 7.9885 8.1961 8.1982 8.5095 8.5110 11.2047 11.2071 12.9998 13.0048 13.4915 13.4957 k = 0.2442-0.1735-0.0109 ( 4509 PWs) bands (ev): -16.2684 -16.2684 -15.0652 -15.0650 -13.7169 -13.7165 -13.0980 -13.0973 -12.9793 -12.9788 -12.7866 -12.7860 -12.5928 -12.5922 -4.9221 -4.9218 -2.3719 -2.3711 -1.5085 -1.5063 -0.8899 -0.8874 -0.3619 -0.3614 0.0202 0.0240 0.3178 0.3206 0.7197 0.7243 1.3772 1.3801 1.5881 1.5946 1.8844 1.8887 1.9908 1.9966 2.4563 2.4616 2.6456 2.6566 3.0827 3.0898 3.2941 3.3020 3.4452 3.4501 3.8949 3.8993 4.0942 4.0977 4.3658 4.3727 4.5204 4.5278 7.1050 7.1128 7.1515 7.1620 7.2446 7.2551 7.3417 7.3695 7.4180 7.4330 7.4938 7.5241 7.8578 7.8610 7.9825 7.9882 8.1860 8.1883 8.5073 8.5089 11.1245 11.1269 12.9902 12.9949 13.5074 13.5109 k = 0.2326-0.1652-0.0104 ( 4509 PWs) bands (ev): -16.2768 -16.2768 -15.0570 -15.0568 -13.7236 -13.7233 -13.0950 -13.0943 -12.9745 -12.9741 -12.7867 -12.7860 -12.5897 -12.5891 -4.9178 -4.9176 -2.3871 -2.3863 -1.4992 -1.4967 -0.8685 -0.8661 -0.3721 -0.3717 0.0291 0.0330 0.3169 0.3198 0.6921 0.6969 1.3650 1.3678 1.5826 1.5889 1.8942 1.8976 1.9924 1.9970 2.4418 2.4475 2.6627 2.6740 3.0897 3.0967 3.3007 3.3085 3.4363 3.4408 3.9015 3.9057 4.1084 4.1119 4.3601 4.3669 4.5168 4.5243 7.1046 7.1124 7.1508 7.1618 7.2424 7.2525 7.3413 7.3669 7.4157 7.4316 7.4963 7.5264 7.8539 7.8570 7.9814 7.9869 8.1759 8.1785 8.5050 8.5067 11.0458 11.0482 12.9802 12.9846 13.5247 13.5275 k = 0.2209-0.1570-0.0098 ( 4510 PWs) bands (ev): -16.2851 -16.2851 -15.0484 -15.0482 -13.7307 -13.7304 -13.0925 -13.0918 -12.9697 -12.9693 -12.7867 -12.7860 -12.5865 -12.5858 -4.9128 -4.9125 -2.4047 -2.4040 -1.4879 -1.4852 -0.8458 -0.8433 -0.3830 -0.3827 0.0371 0.0412 0.3144 0.3173 0.6662 0.6711 1.3536 1.3562 1.5761 1.5821 1.8997 1.9032 1.9978 2.0015 2.4282 2.4342 2.6793 2.6910 3.0960 3.1028 3.3060 3.3133 3.4296 3.4335 3.9072 3.9111 4.1238 4.1274 4.3549 4.3614 4.5135 4.5210 7.1040 7.1119 7.1501 7.1615 7.2401 7.2498 7.3409 7.3643 7.4130 7.4298 7.4989 7.5285 7.8505 7.8534 7.9792 7.9846 8.1661 8.1690 8.5025 8.5042 10.9689 10.9712 12.9697 12.9739 13.5434 13.5456 k = 0.2093-0.1487-0.0093 ( 4509 PWs) bands (ev): -16.2933 -16.2933 -15.0397 -15.0395 -13.7380 -13.7377 -13.0903 -13.0898 -12.9648 -12.9644 -12.7866 -12.7858 -12.5830 -12.5823 -4.9069 -4.9067 -2.4247 -2.4240 -1.4746 -1.4718 -0.8219 -0.8194 -0.3945 -0.3941 0.0442 0.0484 0.3099 0.3129 0.6420 0.6471 1.3433 1.3456 1.5687 1.5745 1.9012 1.9057 2.0061 2.0098 2.4160 2.4222 2.6951 2.7070 3.1017 3.1082 3.3093 3.3158 3.4259 3.4292 3.9121 3.9158 4.1399 4.1435 4.3501 4.3564 4.5106 4.5181 7.1035 7.1115 7.1494 7.1613 7.2377 7.2471 7.3405 7.3619 7.4100 7.4276 7.5014 7.5304 7.8477 7.8504 7.9758 7.9812 8.1566 8.1597 8.4999 8.5017 10.8940 10.8962 12.9591 12.9630 13.5631 13.5648 k = 0.1977-0.1404-0.0088 ( 4512 PWs) bands (ev): -16.3014 -16.3014 -15.0308 -15.0306 -13.7455 -13.7452 -13.0887 -13.0882 -12.9599 -12.9596 -12.7865 -12.7856 -12.5795 -12.5788 -4.9003 -4.9001 -2.4466 -2.4460 -1.4596 -1.4567 -0.7969 -0.7944 -0.4064 -0.4060 0.0503 0.0546 0.3033 0.3064 0.6196 0.6250 1.3340 1.3362 1.5607 1.5661 1.9001 1.9057 2.0160 2.0202 2.4057 2.4122 2.7098 2.7219 3.1066 3.1128 3.3099 3.3155 3.4259 3.4283 3.9166 3.9201 4.1560 4.1597 4.3459 4.3521 4.5082 4.5157 7.1029 7.1110 7.1488 7.1611 7.2351 7.2443 7.3401 7.3596 7.4067 7.4252 7.5039 7.5321 7.8453 7.8478 7.9714 7.9768 8.1474 8.1508 8.4971 8.4990 10.8214 10.8235 12.9483 12.9520 13.5837 13.5848 k = 0.1860-0.1322-0.0083 ( 4506 PWs) bands (ev): -16.3092 -16.3092 -15.0218 -15.0216 -13.7531 -13.7528 -13.0874 -13.0870 -12.9550 -12.9548 -12.7862 -12.7852 -12.5759 -12.5752 -4.8930 -4.8928 -2.4702 -2.4695 -1.4431 -1.4401 -0.7710 -0.7686 -0.4186 -0.4180 0.0554 0.0599 0.2945 0.2979 0.5990 0.6047 1.3260 1.3279 1.5520 1.5573 1.8976 1.9041 2.0263 2.0308 2.3979 2.4045 2.7231 2.7354 3.1106 3.1166 3.3080 3.3126 3.4293 3.4309 3.9208 3.9242 4.1717 4.1754 4.3428 4.3489 4.5063 4.5138 7.1023 7.1105 7.1482 7.1611 7.2323 7.2414 7.3398 7.3574 7.4034 7.4226 7.5064 7.5336 7.8435 7.8457 7.9661 7.9716 8.1386 8.1422 8.4942 8.4961 10.7512 10.7533 12.9375 12.9410 13.6047 13.6055 k = 0.1744-0.1239-0.0078 ( 4506 PWs) bands (ev): -16.3169 -16.3168 -15.0128 -15.0126 -13.7608 -13.7605 -13.0866 -13.0861 -12.9503 -12.9500 -12.7857 -12.7847 -12.5723 -12.5715 -4.8851 -4.8849 -2.4950 -2.4944 -1.4253 -1.4222 -0.7445 -0.7421 -0.4308 -0.4300 0.0593 0.0640 0.2837 0.2873 0.5804 0.5863 1.3192 1.3210 1.5430 1.5480 1.8947 1.9017 2.0354 2.0402 2.3929 2.3997 2.7348 2.7472 3.1139 3.1196 3.3040 3.3077 3.4354 3.4366 3.9249 3.9281 4.1860 4.1898 4.3410 4.3471 4.5050 4.5125 7.1017 7.1099 7.1477 7.1611 7.2295 7.2385 7.3393 7.3554 7.3999 7.4198 7.5087 7.5348 7.8421 7.8440 7.9600 7.9655 8.1302 8.1341 8.4912 8.4931 10.6838 10.6858 12.9268 12.9301 13.6259 13.6267 k = 0.1628-0.1157-0.0073 ( 4511 PWs) bands (ev): -16.3242 -16.3242 -15.0039 -15.0037 -13.7685 -13.7682 -13.0861 -13.0856 -12.9457 -12.9454 -12.7851 -12.7841 -12.5687 -12.5679 -4.8766 -4.8765 -2.5207 -2.5202 -1.4065 -1.4034 -0.7177 -0.7153 -0.4428 -0.4417 0.0620 0.0669 0.2710 0.2750 0.5636 0.5697 1.3137 1.3153 1.5337 1.5384 1.8919 1.8992 2.0426 2.0474 2.3912 2.3982 2.7447 2.7571 3.1163 3.1217 3.2988 3.3018 3.4434 3.4445 3.9290 3.9320 4.1983 4.2023 4.3410 4.3472 4.5044 4.5119 7.1010 7.1092 7.1474 7.1611 7.2265 7.2355 7.3389 7.3534 7.3964 7.4167 7.5109 7.5358 7.8412 7.8427 7.9532 7.9589 8.1224 8.1264 8.4881 8.4900 10.6193 10.6213 12.9163 12.9195 13.6469 13.6479 k = 0.1512-0.1074-0.0067 ( 4512 PWs) bands (ev): -16.3312 -16.3312 -14.9950 -14.9948 -13.7762 -13.7759 -13.0859 -13.0855 -12.9413 -12.9410 -12.7844 -12.7834 -12.5652 -12.5644 -4.8677 -4.8676 -2.5469 -2.5464 -1.3869 -1.3838 -0.6911 -0.6886 -0.4541 -0.4526 0.0630 0.0682 0.2569 0.2613 0.5485 0.5548 1.3094 1.3108 1.5243 1.5288 1.8894 1.8970 2.0471 2.0519 2.3931 2.4003 2.7526 2.7651 3.1179 3.1230 3.2931 3.2956 3.4525 3.4538 3.9331 3.9359 4.2079 4.2121 4.3431 4.3497 4.5046 4.5121 7.1002 7.1084 7.1473 7.1613 7.2234 7.2325 7.3384 7.3516 7.3929 7.4136 7.5130 7.5366 7.8406 7.8418 7.9460 7.9518 8.1150 8.1192 8.4848 8.4867 10.5581 10.5599 12.9061 12.9091 13.6676 13.6689 k = 0.1395-0.0991-0.0062 ( 4511 PWs) bands (ev): -16.3378 -16.3378 -14.9864 -14.9862 -13.7836 -13.7833 -13.0860 -13.0856 -12.9371 -12.9368 -12.7836 -12.7826 -12.5618 -12.5610 -4.8586 -4.8584 -2.5733 -2.5728 -1.3669 -1.3638 -0.6653 -0.6627 -0.4641 -0.4621 0.0622 0.0676 0.2421 0.2470 0.5349 0.5413 1.3062 1.3075 1.5149 1.5191 1.8875 1.8953 2.0486 2.0534 2.3986 2.4060 2.7586 2.7710 3.1186 3.1235 3.2875 3.2897 3.4623 3.4636 3.9372 3.9399 4.2145 4.2188 4.3476 4.3546 4.5057 4.5131 7.0994 7.1074 7.1474 7.1615 7.2204 7.2295 7.3379 7.3499 7.3896 7.4105 7.5149 7.5372 7.8402 7.8412 7.9384 7.9445 8.1083 8.1126 8.4815 8.4834 10.5004 10.5021 12.8964 12.8992 13.6878 13.6893 k = 0.1279-0.0909-0.0057 ( 4517 PWs) bands (ev): -16.3441 -16.3441 -14.9781 -14.9779 -13.7909 -13.7906 -13.0863 -13.0859 -12.9331 -12.9329 -12.7827 -12.7817 -12.5585 -12.5578 -4.8492 -4.8491 -2.5993 -2.5989 -1.3467 -1.3437 -0.6415 -0.6387 -0.4716 -0.4689 0.0589 0.0647 0.2274 0.2326 0.5227 0.5292 1.3041 1.3053 1.5057 1.5096 1.8864 1.8942 2.0471 2.0520 2.4074 2.4150 2.7625 2.7747 3.1186 3.1232 3.2824 3.2844 3.4723 3.4737 3.9413 3.9439 4.2181 4.2225 4.3542 4.3615 4.5078 4.5150 7.0985 7.1063 7.1478 7.1619 7.2173 7.2264 7.3374 7.3482 7.3865 7.4073 7.5167 7.5375 7.8398 7.8408 7.9308 7.9371 8.1021 8.1064 8.4782 8.4800 10.4463 10.4479 12.8872 12.8898 13.7071 13.7089 k = 0.1163-0.0826-0.0052 ( 4516 PWs) bands (ev): -16.3499 -16.3499 -14.9701 -14.9699 -13.7979 -13.7976 -13.0867 -13.0863 -12.9294 -12.9292 -12.7817 -12.7807 -12.5555 -12.5547 -4.8399 -4.8398 -2.6247 -2.6243 -1.3266 -1.3236 -0.6215 -0.6183 -0.4748 -0.4714 0.0526 0.0587 0.2136 0.2191 0.5118 0.5182 1.3030 1.3040 1.4967 1.5003 1.8861 1.8940 2.0430 2.0480 2.4190 2.4268 2.7643 2.7764 3.1179 3.1222 3.2780 3.2798 3.4822 3.4835 3.9454 3.9478 4.2193 4.2236 4.3623 4.3696 4.5108 4.5178 7.0976 7.1050 7.1484 7.1623 7.2142 7.2233 7.3368 7.3466 7.3837 7.4041 7.5184 7.5377 7.8395 7.8408 7.9234 7.9299 8.0965 8.1008 8.4748 8.4766 10.3961 10.3977 12.8785 12.8809 13.7255 13.7274 k = 0.1047-0.0744-0.0047 ( 4515 PWs) bands (ev): -16.3553 -16.3552 -14.9626 -14.9624 -13.8045 -13.8042 -13.0873 -13.0869 -12.9260 -12.9259 -12.7806 -12.7797 -12.5526 -12.5519 -4.8307 -4.8306 -2.6490 -2.6486 -1.3069 -1.3041 -0.6074 -0.6039 -0.4714 -0.4673 0.0429 0.0492 0.2016 0.2072 0.5021 0.5082 1.3027 1.3036 1.4881 1.4914 1.8868 1.8946 2.0366 2.0418 2.4330 2.4409 2.7642 2.7760 3.1166 3.1206 3.2744 3.2761 3.4917 3.4929 3.9495 3.9517 4.2186 4.2228 4.3711 4.3783 4.5149 4.5216 7.0967 7.1036 7.1492 7.1629 7.2113 7.2203 7.3361 7.3449 7.3812 7.4010 7.5200 7.5376 7.8391 7.8410 7.9162 7.9230 8.0916 8.0958 8.4715 8.4732 10.3501 10.3515 12.8705 12.8727 13.7426 13.7447 k = 0.0930-0.0661-0.0041 ( 4514 PWs) bands (ev): -16.3601 -16.3601 -14.9556 -14.9554 -13.8106 -13.8104 -13.0879 -13.0876 -12.9230 -12.9228 -12.7796 -12.7787 -12.5499 -12.5493 -4.8218 -4.8218 -2.6718 -2.6715 -1.2879 -1.2853 -0.6004 -0.5969 -0.4598 -0.4555 0.0296 0.0360 0.1919 0.1975 0.4934 0.4992 1.3030 1.3039 1.4800 1.4830 1.8883 1.8961 2.0284 2.0338 2.4487 2.4567 2.7623 2.7737 3.1149 3.1185 3.2717 3.2732 3.5006 3.5017 3.9534 3.9554 4.2169 4.2207 4.3798 4.3865 4.5200 4.5261 7.0958 7.1022 7.1503 7.1634 7.2084 7.2173 7.3353 7.3432 7.3793 7.3980 7.5215 7.5374 7.8387 7.8411 7.9096 7.9166 8.0872 8.0912 8.4684 8.4699 10.3084 10.3097 12.8633 12.8653 13.7583 13.7604 k = 0.0814-0.0578-0.0036 ( 4513 PWs) bands (ev): -16.3645 -16.3645 -14.9492 -14.9491 -13.8162 -13.8160 -13.0886 -13.0883 -12.9203 -12.9201 -12.7786 -12.7778 -12.5475 -12.5469 -4.8135 -4.8134 -2.6930 -2.6927 -1.2700 -1.2676 -0.5997 -0.5965 -0.4410 -0.4368 0.0129 0.0191 0.1847 0.1899 0.4857 0.4911 1.3039 1.3047 1.4724 1.4751 1.8909 1.8986 2.0190 2.0246 2.4654 2.4734 2.7587 2.7696 3.1129 3.1161 3.2696 3.2710 3.5087 3.5097 3.9571 3.9589 4.2144 4.2179 4.3879 4.3940 4.5258 4.5313 7.0950 7.1007 7.1516 7.1640 7.2058 7.2144 7.3345 7.3415 7.3778 7.3951 7.5229 7.5370 7.8382 7.8411 7.9037 7.9107 8.0835 8.0872 8.4653 8.4667 10.2712 10.2723 12.8568 12.8585 13.7725 13.7745 k = 0.0698-0.0496-0.0031 ( 4513 PWs) bands (ev): -16.3683 -16.3683 -14.9435 -14.9434 -13.8213 -13.8211 -13.0892 -13.0889 -12.9179 -12.9178 -12.7776 -12.7769 -12.5454 -12.5449 -4.8058 -4.8057 -2.7120 -2.7118 -1.2535 -1.2514 -0.6029 -0.6002 -0.4176 -0.4136 -0.0066 -0.0006 0.1797 0.1844 0.4791 0.4839 1.3051 1.3058 1.4656 1.4680 1.8944 1.9020 2.0089 2.0146 2.4826 2.4903 2.7538 2.7641 3.1109 3.1136 3.2682 3.2694 3.5160 3.5168 3.9605 3.9621 4.2118 4.2148 4.3949 4.4003 4.5321 4.5369 7.0942 7.0993 7.1530 7.1645 7.2034 7.2115 7.3338 7.3398 7.3768 7.3924 7.5242 7.5365 7.8377 7.8409 7.8986 7.9054 8.0803 8.0837 8.4626 8.4638 10.2386 10.2396 12.8511 12.8526 13.7850 13.7869 k = 0.0581-0.0413-0.0026 ( 4512 PWs) bands (ev): -16.3716 -16.3715 -14.9385 -14.9384 -13.8256 -13.8255 -13.0898 -13.0896 -12.9159 -12.9158 -12.7767 -12.7761 -12.5436 -12.5431 -4.7990 -4.7989 -2.7287 -2.7285 -1.2388 -1.2369 -0.6079 -0.6058 -0.3919 -0.3882 -0.0280 -0.0225 0.1765 0.1805 0.4735 0.4777 1.3065 1.3072 1.4596 1.4616 1.8988 1.9062 1.9983 2.0041 2.4995 2.5069 2.7479 2.7574 3.1089 3.1112 3.2673 3.2682 3.5222 3.5230 3.9636 3.9649 4.2091 4.2117 4.4009 4.4054 4.5384 4.5424 7.0936 7.0979 7.1546 7.1649 7.2014 7.2088 7.3331 7.3382 7.3764 7.3898 7.5255 7.5358 7.8372 7.8405 7.8945 7.9009 8.0777 8.0807 8.4601 8.4611 10.2108 10.2116 12.8462 12.8475 13.7957 13.7974 k = 0.0465-0.0330-0.0021 ( 4512 PWs) bands (ev): -16.3743 -16.3742 -14.9344 -14.9343 -13.8293 -13.8292 -13.0904 -13.0902 -12.9142 -12.9141 -12.7759 -12.7754 -12.5420 -12.5417 -4.7931 -4.7931 -2.7427 -2.7425 -1.2261 -1.2245 -0.6134 -0.6117 -0.3658 -0.3624 -0.0502 -0.0452 0.1745 0.1778 0.4689 0.4724 1.3080 1.3086 1.4545 1.4561 1.9041 1.9112 1.9877 1.9936 2.5155 2.5222 2.7416 2.7500 3.1071 3.1089 3.2667 3.2674 3.5275 3.5281 3.9662 3.9673 4.2068 4.2088 4.4057 4.4093 4.5444 4.5476 7.0932 7.0966 7.1563 7.1651 7.1998 7.2063 7.3325 7.3366 7.3764 7.3875 7.5267 7.5350 7.8368 7.8399 7.8915 7.8971 8.0757 8.0782 8.4580 8.4588 10.1879 10.1886 12.8423 12.8433 13.8046 13.8061 k = 0.0349-0.0248-0.0016 ( 4518 PWs) bands (ev): -16.3764 -16.3764 -14.9311 -14.9310 -13.8322 -13.8321 -13.0908 -13.0906 -12.9129 -12.9128 -12.7753 -12.7749 -12.5408 -12.5405 -4.7884 -4.7884 -2.7538 -2.7537 -1.2157 -1.2145 -0.6184 -0.6172 -0.3409 -0.3378 -0.0717 -0.0675 0.1734 0.1759 0.4655 0.4682 1.3094 1.3098 1.4504 1.4516 1.9100 1.9166 1.9777 1.9833 2.5298 2.5355 2.7356 2.7426 3.1056 3.1070 3.2664 3.2669 3.5316 3.5321 3.9683 3.9691 4.2049 4.2064 4.4094 4.4121 4.5496 4.5520 7.0928 7.0955 7.1579 7.1650 7.1987 7.2040 7.3320 7.3351 7.3768 7.3853 7.5279 7.5341 7.8365 7.8390 7.8894 7.8939 8.0742 8.0762 8.4563 8.4569 10.1700 10.1706 12.8392 12.8400 13.8116 13.8127 k = 0.0233-0.0165-0.0010 ( 4515 PWs) bands (ev): -16.3779 -16.3779 -14.9287 -14.9287 -13.8343 -13.8342 -13.0911 -13.0910 -12.9120 -12.9119 -12.7748 -12.7745 -12.5399 -12.5398 -4.7850 -4.7850 -2.7619 -2.7618 -1.2081 -1.2072 -0.6224 -0.6215 -0.3191 -0.3167 -0.0906 -0.0874 0.1729 0.1746 0.4631 0.4650 1.3105 1.3108 1.4475 1.4483 1.9163 1.9219 1.9689 1.9739 2.5415 2.5458 2.7307 2.7358 3.1045 3.1055 3.2662 3.2666 3.5346 3.5349 3.9699 3.9705 4.2035 4.2045 4.4121 4.4139 4.5537 4.5552 7.0927 7.0945 7.1596 7.1646 7.1982 7.2020 7.3319 7.3339 7.3776 7.3833 7.5290 7.5332 7.8363 7.8382 7.8883 7.8915 8.0733 8.0746 8.4551 8.4555 10.1572 10.1576 12.8370 12.8375 13.8167 13.8175 k = 0.0116-0.0083-0.0005 ( 4511 PWs) bands (ev): -16.3788 -16.3788 -14.9273 -14.9272 -13.8356 -13.8355 -13.0913 -13.0912 -12.9114 -12.9114 -12.7745 -12.7743 -12.5394 -12.5393 -4.7829 -4.7829 -2.7668 -2.7668 -1.2033 -1.2028 -0.6248 -0.6244 -0.3034 -0.3020 -0.1039 -0.1020 0.1729 0.1737 0.4619 0.4628 1.3113 1.3114 1.4458 1.4462 1.9222 1.9258 1.9629 1.9662 2.5496 2.5519 2.7279 2.7306 3.1040 3.1044 3.2662 3.2664 3.5365 3.5366 3.9709 3.9712 4.2028 4.2033 4.4138 4.4147 4.5564 4.5572 7.0929 7.0937 7.1612 7.1638 7.1984 7.2003 7.3320 7.3330 7.3786 7.3815 7.5301 7.5322 7.8365 7.8374 7.8881 7.8897 8.0729 8.0735 8.4544 8.4546 10.1496 10.1498 12.8358 12.8360 13.8198 13.8202 k = 0.0000 0.0000 0.0000 ( 4509 PWs) bands (ev): -16.3791 -16.3791 -14.9268 -14.9268 -13.8360 -13.8360 -13.0913 -13.0913 -12.9112 -12.9112 -12.7743 -12.7743 -12.5392 -12.5392 -4.7822 -4.7822 -2.7684 -2.7684 -1.2015 -1.2015 -0.6255 -0.6255 -0.2971 -0.2971 -0.1082 -0.1082 0.1732 0.1732 0.4618 0.4618 1.3116 1.3116 1.4453 1.4453 1.9260 1.9260 1.9618 1.9618 2.5533 2.5533 2.7278 2.7278 3.1039 3.1039 3.2662 3.2662 3.5371 3.5371 3.9714 3.9714 4.2027 4.2027 4.4147 4.4147 4.5575 4.5575 7.0932 7.0932 7.1626 7.1626 7.1991 7.1991 7.3323 7.3323 7.3799 7.3799 7.5312 7.5312 7.8368 7.8368 7.8885 7.8885 8.0730 8.0730 8.4542 8.4542 10.1471 10.1471 12.8354 12.8354 13.8210 13.8210 k = 0.0000 0.0000 0.0000 ( 4509 PWs) bands (ev): -16.3791 -16.3791 -14.9268 -14.9268 -13.8360 -13.8360 -13.0913 -13.0913 -12.9112 -12.9112 -12.7743 -12.7743 -12.5392 -12.5392 -4.7822 -4.7822 -2.7684 -2.7684 -1.2015 -1.2015 -0.6255 -0.6255 -0.2971 -0.2971 -0.1082 -0.1082 0.1732 0.1732 0.4618 0.4618 1.3116 1.3116 1.4453 1.4453 1.9260 1.9260 1.9618 1.9618 2.5533 2.5533 2.7278 2.7278 3.1039 3.1039 3.2662 3.2662 3.5371 3.5371 3.9714 3.9714 4.2027 4.2027 4.4147 4.4147 4.5575 4.5575 7.0932 7.0932 7.1626 7.1626 7.1991 7.1991 7.3323 7.3323 7.3799 7.3799 7.5312 7.5312 7.8368 7.8368 7.8885 7.8885 8.0730 8.0730 8.4542 8.4542 10.1471 10.1471 12.8354 12.8354 13.8210 13.8210 k =-0.0116-0.0018 0.0077 ( 4517 PWs) bands (ev): -16.3788 -16.3788 -14.9272 -14.9272 -13.8357 -13.8356 -13.0913 -13.0912 -12.9114 -12.9114 -12.7744 -12.7742 -12.5394 -12.5393 -4.7828 -4.7828 -2.7671 -2.7670 -1.2026 -1.2022 -0.6256 -0.6252 -0.3008 -0.2996 -0.1062 -0.1046 0.1731 0.1736 0.4626 0.4629 1.3109 1.3112 1.4460 1.4465 1.9219 1.9254 1.9634 1.9666 2.5492 2.5513 2.7285 2.7310 3.1043 3.1046 3.2661 3.2663 3.5367 3.5369 3.9699 3.9704 4.2027 4.2034 4.4140 4.4142 4.5568 4.5569 7.0928 7.0934 7.1613 7.1642 7.1984 7.2003 7.3307 7.3332 7.3790 7.3821 7.5303 7.5316 7.8364 7.8380 7.8875 7.8896 8.0729 8.0738 8.4542 8.4543 10.1498 10.1500 12.8358 12.8359 13.8183 13.8192 k =-0.0233-0.0036 0.0153 ( 4519 PWs) bands (ev): -16.3780 -16.3780 -14.9284 -14.9284 -13.8347 -13.8347 -13.0911 -13.0910 -12.9120 -12.9120 -12.7744 -12.7741 -12.5401 -12.5399 -4.7848 -4.7848 -2.7629 -2.7629 -1.2054 -1.2046 -0.6255 -0.6248 -0.3100 -0.3078 -0.0993 -0.0963 0.1734 0.1744 0.4652 0.4658 1.3093 1.3098 1.4484 1.4494 1.9155 1.9208 1.9706 1.9754 2.5398 2.5436 2.7328 2.7377 3.1056 3.1064 3.2660 3.2663 3.5356 3.5361 3.9661 3.9671 4.2034 4.2047 4.4122 4.4124 4.5548 4.5551 7.0922 7.0935 7.1602 7.1658 7.1983 7.2020 7.3286 7.3334 7.3794 7.3854 7.5292 7.5318 7.8367 7.8398 7.8867 7.8908 8.0737 8.0754 8.4543 8.4546 10.1582 10.1584 12.8370 12.8372 13.8113 13.8131 k =-0.0349-0.0054 0.0230 ( 4519 PWs) bands (ev): -16.3766 -16.3766 -14.9304 -14.9303 -13.8332 -13.8331 -13.0909 -13.0907 -12.9130 -12.9130 -12.7743 -12.7739 -12.5411 -12.5408 -4.7881 -4.7881 -2.7561 -2.7560 -1.2098 -1.2087 -0.6256 -0.6246 -0.3229 -0.3200 -0.0888 -0.0849 0.1743 0.1757 0.4696 0.4705 1.3068 1.3075 1.4525 1.4539 1.9085 1.9146 1.9810 1.9864 2.5261 2.5312 2.7399 2.7465 3.1080 3.1092 3.2659 3.2663 3.5339 3.5346 3.9599 3.9615 4.2048 4.2068 4.4091 4.4095 4.5515 4.5519 7.0915 7.0934 7.1594 7.1676 7.1987 7.2041 7.3262 7.3329 7.3811 7.3896 7.5276 7.5315 7.8376 7.8423 7.8860 7.8921 8.0754 8.0779 8.4546 8.4550 10.1721 10.1724 12.8391 12.8393 13.8003 13.8029 k =-0.0465-0.0071 0.0306 ( 4513 PWs) bands (ev): -16.3747 -16.3746 -14.9331 -14.9331 -13.8310 -13.8309 -13.0905 -13.0902 -12.9144 -12.9144 -12.7742 -12.7736 -12.5426 -12.5422 -4.7925 -4.7925 -2.7467 -2.7465 -1.2158 -1.2144 -0.6261 -0.6247 -0.3378 -0.3345 -0.0766 -0.0718 0.1756 0.1774 0.4758 0.4770 1.3037 1.3046 1.4580 1.4599 1.9017 1.9082 1.9931 1.9986 2.5095 2.5153 2.7484 2.7562 3.1113 3.1129 3.2657 3.2663 3.5314 3.5324 3.9517 3.9537 4.2069 4.2095 4.4050 4.4055 4.5472 4.5477 7.0907 7.0932 7.1591 7.1695 7.1998 7.2066 7.3236 7.3318 7.3839 7.3944 7.5257 7.5310 7.8390 7.8452 7.8858 7.8937 8.0779 8.0812 8.4550 8.4555 10.1914 10.1919 12.8419 12.8422 13.7858 13.7891 k =-0.0581-0.0089 0.0383 ( 4510 PWs) bands (ev): -16.3722 -16.3722 -14.9366 -14.9366 -13.8282 -13.8281 -13.0900 -13.0896 -12.9162 -12.9162 -12.7740 -12.7733 -12.5444 -12.5439 -4.7981 -4.7981 -2.7348 -2.7347 -1.2233 -1.2216 -0.6273 -0.6257 -0.3531 -0.3495 -0.0638 -0.0585 0.1777 0.1798 0.4838 0.4852 1.3003 1.3013 1.4649 1.4671 1.8954 1.9020 2.0063 2.0118 2.4907 2.4970 2.7572 2.7661 3.1154 3.1174 3.2657 3.2664 3.5282 3.5295 3.9415 3.9439 4.2097 4.2128 4.3997 4.4004 4.5419 4.5426 7.0898 7.0928 7.1592 7.1714 7.2014 7.2095 7.3209 7.3303 7.3876 7.3997 7.5236 7.5302 7.8408 7.8482 7.8861 7.8957 8.0813 8.0852 8.4556 8.4563 10.2161 10.2167 12.8456 12.8459 13.7684 13.7723 k =-0.0698-0.0107 0.0460 ( 4514 PWs) bands (ev): -16.3692 -16.3692 -14.9408 -14.9407 -13.8249 -13.8248 -13.0894 -13.0890 -12.9184 -12.9183 -12.7737 -12.7730 -12.5466 -12.5460 -4.8047 -4.8046 -2.7207 -2.7205 -1.2321 -1.2302 -0.6300 -0.6280 -0.3676 -0.3638 -0.0515 -0.0458 0.1804 0.1829 0.4935 0.4950 1.2969 1.2979 1.4727 1.4753 1.8895 1.8963 2.0203 2.0257 2.4706 2.4772 2.7656 2.7752 3.1201 3.1226 3.2658 3.2667 3.5242 3.5258 3.9296 3.9324 4.2131 4.2167 4.3935 4.3943 4.5359 4.5368 7.0888 7.0921 7.1596 7.1735 7.2034 7.2126 7.3182 7.3286 7.3918 7.4053 7.5211 7.5291 7.8426 7.8510 7.8872 7.8981 8.0854 8.0900 8.4563 8.4571 10.2460 10.2467 12.8499 12.8502 13.7486 13.7529 k =-0.0814-0.0125 0.0536 ( 4509 PWs) bands (ev): -16.3657 -16.3657 -14.9456 -14.9455 -13.8211 -13.8209 -13.0887 -13.0882 -12.9210 -12.9209 -12.7734 -12.7725 -12.5491 -12.5485 -4.8121 -4.8120 -2.7046 -2.7043 -1.2421 -1.2399 -0.6345 -0.6323 -0.3801 -0.3763 -0.0404 -0.0344 0.1841 0.1867 0.5048 0.5065 1.2936 1.2947 1.4815 1.4844 1.8842 1.8910 2.0347 2.0400 2.4499 2.4565 2.7730 2.7832 3.1253 3.1282 3.2661 3.2672 3.5194 3.5213 3.9165 3.9196 4.2170 4.2211 4.3863 4.3873 4.5294 4.5305 7.0877 7.0913 7.1606 7.1757 7.2058 7.2159 7.3155 7.3268 7.3963 7.4111 7.5185 7.5280 7.8443 7.8532 7.8896 7.9011 8.0903 8.0955 8.4572 8.4581 10.2810 10.2818 12.8549 12.8552 13.7269 13.7316 k =-0.0930-0.0143 0.0613 ( 4515 PWs) bands (ev): -16.3617 -16.3617 -14.9511 -14.9510 -13.8168 -13.8166 -13.0880 -13.0875 -12.9240 -12.9239 -12.7730 -12.7720 -12.5520 -12.5513 -4.8202 -4.8201 -2.6867 -2.6864 -1.2531 -1.2506 -0.6415 -0.6391 -0.3898 -0.3860 -0.0309 -0.0247 0.1885 0.1913 0.5177 0.5195 1.2906 1.2918 1.4910 1.4942 1.8793 1.8862 2.0492 2.0544 2.4288 2.4354 2.7789 2.7895 3.1305 3.1340 3.2667 3.2680 3.5137 3.5159 3.9024 3.9058 4.2214 4.2259 4.3783 4.3794 4.5227 4.5239 7.0865 7.0903 7.1619 7.1780 7.2084 7.2193 7.3129 7.3251 7.4008 7.4169 7.5158 7.5267 7.8458 7.8544 7.8932 7.9048 8.0960 8.1017 8.4582 8.4593 10.3207 10.3217 12.8605 12.8608 13.7038 13.7089 k =-0.1047-0.0161 0.0689 ( 4515 PWs) bands (ev): -16.3573 -16.3572 -14.9571 -14.9569 -13.8121 -13.8118 -13.0872 -13.0866 -12.9273 -12.9272 -12.7725 -12.7714 -12.5552 -12.5544 -4.8288 -4.8287 -2.6672 -2.6669 -1.2649 -1.2622 -0.6511 -0.6486 -0.3961 -0.3925 -0.0232 -0.0170 0.1936 0.1965 0.5322 0.5340 1.2883 1.2895 1.5011 1.5046 1.8750 1.8818 2.0634 2.0686 2.4081 2.4145 2.7830 2.7940 3.1356 3.1396 3.2679 3.2694 3.5070 3.5096 3.8878 3.8915 4.2262 4.2312 4.3696 4.3709 4.5158 4.5172 7.0853 7.0892 7.1637 7.1805 7.2111 7.2229 7.3103 7.3234 7.4051 7.4225 7.5130 7.5255 7.8468 7.8548 7.8981 7.9091 8.1025 8.1086 8.4594 8.4607 10.3652 10.3662 12.8665 12.8669 13.6798 13.6851 k =-0.1163-0.0179 0.0766 ( 4513 PWs) bands (ev): -16.3523 -16.3523 -14.9635 -14.9634 -13.8069 -13.8067 -13.0864 -13.0858 -12.9311 -12.9309 -12.7719 -12.7708 -12.5587 -12.5578 -4.8379 -4.8378 -2.6465 -2.6461 -1.2774 -1.2746 -0.6633 -0.6608 -0.3990 -0.3956 -0.0175 -0.0113 0.1992 0.2021 0.5482 0.5500 1.2866 1.2879 1.5115 1.5154 1.8712 1.8780 2.0769 2.0821 2.3881 2.3943 2.7851 2.7964 3.1400 3.1446 3.2696 3.2714 3.4996 3.5025 3.8733 3.8773 4.2313 4.2367 4.3604 4.3619 4.5091 4.5107 7.0840 7.0879 7.1659 7.1832 7.2140 7.2266 7.3079 7.3220 7.4091 7.4277 7.5102 7.5244 7.8475 7.8545 7.9039 7.9140 8.1096 8.1160 8.4608 8.4622 10.4140 10.4151 12.8730 12.8734 13.6552 13.6607 k =-0.1279-0.0196 0.0842 ( 4510 PWs) bands (ev): -16.3470 -16.3470 -14.9704 -14.9703 -13.8015 -13.8012 -13.0856 -13.0849 -12.9352 -12.9350 -12.7713 -12.7701 -12.5623 -12.5615 -4.8471 -4.8471 -2.6247 -2.6243 -1.2904 -1.2874 -0.6778 -0.6753 -0.3987 -0.3955 -0.0137 -0.0075 0.2052 0.2081 0.5657 0.5675 1.2859 1.2871 1.5223 1.5264 1.8678 1.8747 2.0891 2.0943 2.3696 2.3754 2.7849 2.7965 3.1435 3.1486 3.2721 3.2741 3.4914 3.4946 3.8592 3.8635 4.2364 4.2423 4.3510 4.3527 4.5028 4.5046 7.0827 7.0867 7.1684 7.1862 7.2168 7.2303 7.3057 7.3207 7.4125 7.4324 7.5076 7.5234 7.8478 7.8537 7.9104 7.9194 8.1173 8.1240 8.4624 8.4640 10.4669 10.4681 12.8797 12.8802 13.6305 13.6361 k =-0.1395-0.0214 0.0919 ( 4509 PWs) bands (ev): -16.3412 -16.3412 -14.9777 -14.9776 -13.7957 -13.7954 -13.0848 -13.0841 -12.9396 -12.9394 -12.7706 -12.7694 -12.5662 -12.5653 -4.8565 -4.8564 -2.6023 -2.6018 -1.3037 -1.3007 -0.6942 -0.6917 -0.3956 -0.3925 -0.0116 -0.0055 0.2112 0.2140 0.5846 0.5865 1.2860 1.2873 1.5331 1.5376 1.8649 1.8718 2.0992 2.1045 2.3531 2.3586 2.7825 2.7943 3.1456 3.1512 3.2753 3.2776 3.4827 3.4862 3.8460 3.8505 4.2414 4.2477 4.3416 4.3435 4.4969 4.4990 7.0814 7.0854 7.1712 7.1892 7.2196 7.2340 7.3036 7.3197 7.4152 7.4364 7.5053 7.5227 7.8478 7.8527 7.9171 7.9251 8.1255 8.1324 8.4641 8.4659 10.5237 10.5250 12.8865 12.8872 13.6059 13.6116 k =-0.1512-0.0232 0.0996 ( 4501 PWs) bands (ev): -16.3351 -16.3351 -14.9853 -14.9852 -13.7897 -13.7894 -13.0841 -13.0833 -12.9444 -12.9442 -12.7698 -12.7686 -12.5702 -12.5693 -4.8659 -4.8658 -2.5795 -2.5789 -1.3173 -1.3142 -0.7119 -0.7094 -0.3901 -0.3873 -0.0112 -0.0053 0.2170 0.2198 0.6049 0.6068 1.2872 1.2885 1.5438 1.5487 1.8626 1.8695 2.1062 2.1117 2.3396 2.3446 2.7779 2.7897 3.1461 3.1521 3.2790 3.2817 3.4740 3.4776 3.8341 3.8388 4.2458 4.2525 4.3327 4.3348 4.4917 4.4940 7.0801 7.0841 7.1743 7.1924 7.2223 7.2377 7.3018 7.3190 7.4171 7.4394 7.5034 7.5222 7.8475 7.8516 7.9240 7.9310 8.1341 8.1413 8.4661 8.4680 10.5842 10.5855 12.8933 12.8942 13.5818 13.5877 k =-0.1628-0.0250 0.1072 ( 4502 PWs) bands (ev): -16.3286 -16.3286 -14.9932 -14.9930 -13.7835 -13.7832 -13.0834 -13.0826 -12.9495 -12.9492 -12.7691 -12.7679 -12.5743 -12.5734 -4.8751 -4.8750 -2.5565 -2.5559 -1.3310 -1.3279 -0.7302 -0.7277 -0.3829 -0.3803 -0.0123 -0.0064 0.2225 0.2251 0.6265 0.6285 1.2895 1.2908 1.5543 1.5596 1.8608 1.8677 2.1092 2.1150 2.3298 2.3344 2.7709 2.7828 3.1447 3.1511 3.2829 3.2860 3.4657 3.4693 3.8237 3.8286 4.2490 4.2561 4.3250 4.3272 4.4873 4.4899 7.0788 7.0828 7.1774 7.1957 7.2248 7.2413 7.3003 7.3186 7.4182 7.4414 7.5020 7.5221 7.8470 7.8504 7.9307 7.9369 8.1431 8.1504 8.4682 8.4703 10.6480 10.6494 12.8998 12.9010 13.5586 13.5645 k =-0.1744-0.0268 0.1149 ( 4506 PWs) bands (ev): -16.3219 -16.3218 -15.0012 -15.0010 -13.7772 -13.7768 -13.0828 -13.0820 -12.9549 -12.9546 -12.7684 -12.7672 -12.5785 -12.5775 -4.8840 -4.8838 -2.5337 -2.5330 -1.3447 -1.3416 -0.7486 -0.7462 -0.3743 -0.3719 -0.0147 -0.0090 0.2275 0.2300 0.6494 0.6514 1.2928 1.2943 1.5644 1.5701 1.8595 1.8665 2.1075 2.1137 2.3241 2.3285 2.7619 2.7737 3.1415 3.1482 3.2865 3.2900 3.4585 3.4619 3.8149 3.8200 4.2504 4.2576 4.3194 4.3216 4.4839 4.4867 7.0776 7.0815 7.1808 7.1990 7.2271 7.2447 7.2991 7.3184 7.4183 7.4423 7.5011 7.5221 7.8465 7.8493 7.9370 7.9425 8.1523 8.1597 8.4705 8.4728 10.7148 10.7162 12.9060 12.9076 13.5365 13.5426 k =-0.1860-0.0286 0.1225 ( 4502 PWs) bands (ev): -16.3148 -16.3148 -15.0093 -15.0092 -13.7707 -13.7704 -13.0823 -13.0814 -12.9605 -12.9602 -12.7678 -12.7666 -12.5825 -12.5816 -4.8925 -4.8923 -2.5112 -2.5105 -1.3583 -1.3552 -0.7668 -0.7644 -0.3647 -0.3625 -0.0182 -0.0127 0.2319 0.2343 0.6734 0.6755 1.2973 1.2988 1.5740 1.5800 1.8587 1.8658 2.1011 2.1076 2.3226 2.3269 2.7510 2.7627 3.1365 3.1434 3.2892 3.2932 3.4531 3.4563 3.8079 3.8131 4.2493 4.2560 4.3168 4.3189 4.4814 4.4845 7.0765 7.0804 7.1844 7.2025 7.2292 7.2479 7.2983 7.3186 7.4177 7.4421 7.5009 7.5224 7.8461 7.8484 7.9429 7.9478 8.1616 8.1691 8.4729 8.4754 10.7844 10.7859 12.9117 12.9136 13.5160 13.5221 k =-0.1977-0.0304 0.1302 ( 4500 PWs) bands (ev): -16.3075 -16.3075 -15.0176 -15.0174 -13.7642 -13.7638 -13.0819 -13.0810 -12.9664 -12.9660 -12.7674 -12.7662 -12.5865 -12.5855 -4.9005 -4.9004 -2.4894 -2.4887 -1.3717 -1.3687 -0.7844 -0.7819 -0.3546 -0.3525 -0.0229 -0.0174 0.2357 0.2381 0.6985 0.7008 1.3028 1.3044 1.5827 1.5892 1.8585 1.8656 2.0906 2.0973 2.3244 2.3287 2.7387 2.7501 3.1297 3.1368 3.2903 3.2949 3.4502 3.4529 3.8025 3.8078 4.2453 4.2514 4.3175 4.3194 4.4800 4.4834 7.0754 7.0793 7.1879 7.2059 7.2312 7.2509 7.2979 7.3190 7.4164 7.4410 7.5011 7.5228 7.8457 7.8477 7.9482 7.9527 8.1710 8.1786 8.4754 8.4780 10.8565 10.8581 12.9167 12.9190 13.4973 13.5035 k =-0.2093-0.0321 0.1379 ( 4504 PWs) bands (ev): -16.3000 -16.3000 -15.0258 -15.0256 -13.7576 -13.7573 -13.0816 -13.0807 -12.9725 -12.9720 -12.7672 -12.7660 -12.5902 -12.5893 -4.9080 -4.9078 -2.4685 -2.4677 -1.3848 -1.3819 -0.8010 -0.7986 -0.3441 -0.3421 -0.0285 -0.0231 0.2390 0.2413 0.7247 0.7271 1.3094 1.3110 1.5905 1.5974 1.8586 1.8657 2.0769 2.0836 2.3283 2.3327 2.7254 2.7364 3.1214 3.1285 3.2895 3.2947 3.4501 3.4523 3.7985 3.8040 4.2391 4.2444 4.3206 4.3227 4.4798 4.4834 7.0745 7.0784 7.1914 7.2092 7.2330 7.2535 7.2978 7.3196 7.4144 7.4390 7.5015 7.5233 7.8454 7.8472 7.9529 7.9570 8.1804 8.1880 8.4779 8.4808 10.9308 10.9324 12.9208 12.9235 13.4807 13.4870 k =-0.2209-0.0339 0.1455 ( 4503 PWs) bands (ev): -16.2924 -16.2923 -15.0340 -15.0338 -13.7511 -13.7507 -13.0815 -13.0806 -12.9787 -12.9782 -12.7673 -12.7661 -12.5937 -12.5927 -4.9149 -4.9147 -2.4486 -2.4477 -1.3977 -1.3949 -0.8164 -0.8140 -0.3335 -0.3316 -0.0350 -0.0297 0.2418 0.2440 0.7518 0.7543 1.3170 1.3186 1.5973 1.6046 1.8589 1.8660 2.0612 2.0678 2.3330 2.3374 2.7117 2.7223 3.1117 3.1188 3.2868 3.2926 3.4526 3.4545 3.7959 3.8014 4.2314 4.2361 4.3255 4.3281 4.4808 4.4846 7.0736 7.0775 7.1950 7.2123 7.2347 7.2557 7.2983 7.3205 7.4118 7.4365 7.5022 7.5238 7.8453 7.8470 7.9567 7.9606 8.1897 8.1973 8.4804 8.4835 11.0070 11.0086 12.9238 12.9271 13.4665 13.4728 k =-0.2326-0.0357 0.1532 ( 4499 PWs) bands (ev): -16.2846 -16.2845 -15.0421 -15.0419 -13.7446 -13.7442 -13.0815 -13.0805 -12.9850 -12.9845 -12.7677 -12.7666 -12.5968 -12.5959 -4.9211 -4.9209 -2.4299 -2.4290 -1.4102 -1.4076 -0.8303 -0.8279 -0.3231 -0.3213 -0.0423 -0.0370 0.2442 0.2463 0.7798 0.7825 1.3254 1.3271 1.6029 1.6106 1.8592 1.8661 2.0447 2.0510 2.3371 2.3417 2.6985 2.7086 3.1009 3.1079 3.2826 3.2889 3.4574 3.4592 3.7943 3.7999 4.2230 4.2273 4.3316 4.3346 4.4831 4.4869 7.0728 7.0768 7.1985 7.2153 7.2364 7.2576 7.2991 7.3215 7.4090 7.4336 7.5030 7.5242 7.8453 7.8470 7.9597 7.9635 8.1988 8.2065 8.4829 8.4861 11.0848 11.0865 12.9258 12.9296 13.4549 13.4613 k =-0.2442-0.0375 0.1608 ( 4499 PWs) bands (ev): -16.2767 -16.2766 -15.0500 -15.0498 -13.7382 -13.7379 -13.0816 -13.0807 -12.9914 -12.9909 -12.7685 -12.7674 -12.5994 -12.5985 -4.9266 -4.9264 -2.4125 -2.4116 -1.4224 -1.4200 -0.8425 -0.8401 -0.3131 -0.3114 -0.0502 -0.0449 0.2463 0.2483 0.8085 0.8113 1.3346 1.3364 1.6072 1.6153 1.8588 1.8655 2.0284 2.0342 2.3396 2.3443 2.6866 2.6959 3.0891 3.0960 3.2772 3.2838 3.4639 3.4659 3.7936 3.7992 4.2144 4.2185 4.3387 4.3419 4.4866 4.4905 7.0722 7.0762 7.2018 7.2181 7.2379 7.2592 7.3002 7.3227 7.4058 7.4306 7.5036 7.5245 7.8455 7.8472 7.9619 7.9656 8.2078 8.2154 8.4853 8.4887 11.1639 11.1657 12.9267 12.9309 13.4461 13.4525 k =-0.2558-0.0393 0.1685 ( 4496 PWs) bands (ev): -16.2688 -16.2687 -15.0578 -15.0576 -13.7320 -13.7316 -13.0820 -13.0811 -12.9979 -12.9972 -12.7697 -12.7687 -12.6016 -12.6007 -4.9315 -4.9313 -2.3966 -2.3957 -1.4343 -1.4321 -0.8529 -0.8506 -0.3037 -0.3021 -0.0585 -0.0532 0.2481 0.2501 0.8379 0.8409 1.3444 1.3463 1.6103 1.6186 1.8570 1.8633 2.0134 2.0187 2.3395 2.3443 2.6767 2.6852 3.0767 3.0833 3.2710 3.2778 3.4715 3.4738 3.7935 3.7992 4.2062 4.2101 4.3462 4.3496 4.4914 4.4954 7.0717 7.0757 7.2050 7.2205 7.2395 7.2604 7.3016 7.3240 7.4024 7.4275 7.5042 7.5247 7.8459 7.8477 7.9633 7.9669 8.2165 8.2241 8.4875 8.4911 11.2441 11.2460 12.9265 12.9312 13.4401 13.4464 k =-0.2674-0.0411 0.1761 ( 4497 PWs) bands (ev): -16.2609 -16.2608 -15.0653 -15.0651 -13.7259 -13.7255 -13.0826 -13.0816 -13.0042 -13.0036 -12.7714 -12.7704 -12.6032 -12.6023 -4.9356 -4.9354 -2.3822 -2.3812 -1.4460 -1.4440 -0.8613 -0.8590 -0.2953 -0.2937 -0.0671 -0.0618 0.2499 0.2518 0.8678 0.8710 1.3548 1.3567 1.6120 1.6206 1.8530 1.8588 2.0010 2.0055 2.3361 2.3412 2.6694 2.6771 3.0637 3.0701 3.2644 3.2713 3.4797 3.4824 3.7937 3.7995 4.1986 4.2024 4.3541 4.3575 4.4976 4.5015 7.0713 7.0753 7.2081 7.2227 7.2411 7.2613 7.3031 7.3253 7.3990 7.4245 7.5046 7.5246 7.8463 7.8482 7.9638 7.9674 8.2250 8.2325 8.4896 8.4932 11.3250 11.3269 12.9254 12.9306 13.4368 13.4431 k =-0.2791-0.0429 0.1838 ( 4501 PWs) bands (ev): -16.2531 -16.2530 -15.0726 -15.0724 -13.7199 -13.7195 -13.0833 -13.0824 -13.0105 -13.0098 -12.7736 -12.7726 -12.6043 -12.6034 -4.9391 -4.9389 -2.3694 -2.3683 -1.4574 -1.4556 -0.8677 -0.8654 -0.2881 -0.2865 -0.0756 -0.0704 0.2516 0.2534 0.8983 0.9017 1.3654 1.3673 1.6125 1.6213 1.8460 1.8512 1.9919 1.9958 2.3291 2.3345 2.6652 2.6721 3.0506 3.0566 3.2575 3.2644 3.4881 3.4911 3.7942 3.8000 4.1919 4.1956 4.3619 4.3653 4.5052 4.5089 7.0710 7.0750 7.2108 7.2244 7.2427 7.2619 7.3045 7.3265 7.3956 7.4216 7.5047 7.5243 7.8468 7.8488 7.9636 7.9672 8.2331 8.2405 8.4913 8.4951 11.4063 11.4083 12.9236 12.9291 13.4361 13.4423 k =-0.2907-0.0446 0.1915 ( 4501 PWs) bands (ev): -16.2453 -16.2452 -15.0796 -15.0794 -13.7142 -13.7138 -13.0844 -13.0834 -13.0166 -13.0158 -12.7763 -12.7753 -12.6049 -12.6040 -4.9419 -4.9416 -2.3581 -2.3570 -1.4685 -1.4669 -0.8719 -0.8697 -0.2824 -0.2809 -0.0838 -0.0785 0.2532 0.2551 0.9292 0.9327 1.3761 1.3781 1.6118 1.6207 1.8355 1.8404 1.9866 1.9901 2.3187 2.3243 2.6641 2.6703 3.0373 3.0430 3.2504 3.2573 3.4964 3.4997 3.7948 3.8005 4.1863 4.1899 4.3696 4.3728 4.5143 4.5178 7.0709 7.0749 7.2134 7.2259 7.2442 7.2623 7.3059 7.3278 7.3923 7.4191 7.5047 7.5239 7.8471 7.8493 7.9627 7.9665 8.2409 8.2481 8.4929 8.4968 11.4877 11.4898 12.9212 12.9272 13.4379 13.4438 k =-0.3023-0.0464 0.1991 ( 4503 PWs) bands (ev): -16.2377 -16.2376 -15.0863 -15.0861 -13.7087 -13.7082 -13.0857 -13.0847 -13.0224 -13.0216 -12.7793 -12.7784 -12.6049 -12.6040 -4.9440 -4.9438 -2.3483 -2.3471 -1.4794 -1.4781 -0.8741 -0.8719 -0.2786 -0.2772 -0.0912 -0.0860 0.2550 0.2568 0.9603 0.9640 1.3866 1.3886 1.6099 1.6189 1.8221 1.8269 1.9846 1.9882 2.3051 2.3110 2.6658 2.6714 3.0241 3.0294 3.2433 3.2500 3.5042 3.5077 3.7954 3.8010 4.1819 4.1854 4.3768 4.3798 4.5249 4.5282 7.0708 7.0748 7.2158 7.2270 7.2458 7.2626 7.3071 7.3289 7.3893 7.4168 7.5045 7.5233 7.8471 7.8496 7.9614 7.9652 8.2483 8.2554 8.4942 8.4981 11.5689 11.5710 12.9186 12.9250 13.4418 13.4475 k =-0.3140-0.0482 0.2068 ( 4500 PWs) bands (ev): -16.2303 -16.2302 -15.0926 -15.0924 -13.7034 -13.7030 -13.0873 -13.0863 -13.0279 -13.0271 -12.7828 -12.7818 -12.6045 -12.6036 -4.9456 -4.9453 -2.3399 -2.3387 -1.4902 -1.4890 -0.8741 -0.8720 -0.2772 -0.2757 -0.0974 -0.0923 0.2567 0.2585 0.9917 0.9955 1.3965 1.3986 1.6072 1.6161 1.8067 1.8117 1.9854 1.9893 2.2892 2.2952 2.6699 2.6751 3.0111 3.0159 3.2362 3.2428 3.5113 3.5150 3.7958 3.8014 4.1789 4.1823 4.3833 4.3860 4.5371 4.5401 7.0709 7.0749 7.2179 7.2279 7.2472 7.2627 7.3081 7.3298 7.3867 7.4148 7.5042 7.5224 7.8468 7.8495 7.9598 7.9638 8.2552 8.2622 8.4953 8.4992 11.6494 11.6517 12.9161 12.9228 13.4476 13.4529 k =-0.3256-0.0500 0.2144 ( 4506 PWs) bands (ev): -16.2231 -16.2230 -15.0986 -15.0984 -13.6984 -13.6980 -13.0892 -13.0883 -13.0330 -13.0321 -12.7865 -12.7856 -12.6036 -12.6027 -4.9466 -4.9463 -2.3328 -2.3316 -1.5007 -1.4998 -0.8722 -0.8700 -0.2783 -0.2769 -0.1020 -0.0972 0.2586 0.2603 1.0231 1.0271 1.4054 1.4076 1.6037 1.6124 1.7903 1.7956 1.9881 1.9923 2.2713 2.2775 2.6757 2.6807 2.9983 3.0028 3.2291 3.2355 3.5175 3.5213 3.7962 3.8016 4.1772 4.1805 4.3889 4.3914 4.5508 4.5535 7.0711 7.0750 7.2197 7.2286 7.2485 7.2627 7.3087 7.3304 7.3845 7.4132 7.5037 7.5214 7.8458 7.8488 7.9583 7.9623 8.2618 8.2684 8.4961 8.5001 11.7290 11.7313 12.9139 12.9209 13.4549 13.4599 k =-0.3372-0.0518 0.2221 ( 4503 PWs) bands (ev): -16.2161 -16.2160 -15.1042 -15.1040 -13.6936 -13.6932 -13.0915 -13.0906 -13.0376 -13.0367 -12.7905 -12.7895 -12.6024 -12.6015 -4.9471 -4.9468 -2.3269 -2.3258 -1.5111 -1.5102 -0.8683 -0.8661 -0.2821 -0.2808 -0.1049 -0.1003 0.2605 0.2622 1.0543 1.0585 1.4128 1.4153 1.6000 1.6084 1.7740 1.7797 1.9921 1.9965 2.2524 2.2585 2.6829 2.6879 2.9859 2.9901 3.2221 3.2282 3.5227 3.5266 3.7964 3.8016 4.1769 4.1800 4.3934 4.3958 4.5659 4.5683 7.0714 7.0752 7.2213 7.2291 7.2497 7.2625 7.3092 7.3307 7.3828 7.4119 7.5032 7.5203 7.8441 7.8473 7.9569 7.9611 8.2678 8.2742 8.4968 8.5007 11.8071 11.8095 12.9124 12.9197 13.4635 13.4680 k =-0.3488-0.0536 0.2298 ( 4504 PWs) bands (ev): -16.2095 -16.2094 -15.1094 -15.1092 -13.6892 -13.6888 -13.0941 -13.0932 -13.0417 -13.0407 -12.7946 -12.7936 -12.6009 -12.6001 -4.9471 -4.9468 -2.3222 -2.3211 -1.5212 -1.5204 -0.8626 -0.8605 -0.2886 -0.2872 -0.1060 -0.1018 0.2625 0.2641 1.0853 1.0896 1.4182 1.4212 1.5965 1.6045 1.7583 1.7644 1.9968 2.0013 2.2327 2.2389 2.6909 2.6960 2.9740 2.9778 3.2152 3.2210 3.5269 3.5308 3.7967 3.8015 4.1779 4.1809 4.3970 4.3992 4.5821 4.5842 7.0718 7.0755 7.2226 7.2294 7.2506 7.2621 7.3094 7.3306 7.3818 7.4108 7.5026 7.5190 7.8414 7.8448 7.9561 7.9603 8.2734 8.2795 8.4973 8.5011 11.8833 11.8858 12.9117 12.9192 13.4729 13.4771 k =-0.3605-0.0554 0.2374 ( 4504 PWs) bands (ev): -16.2032 -16.2031 -15.1142 -15.1141 -13.6850 -13.6846 -13.0969 -13.0961 -13.0452 -13.0443 -12.7987 -12.7978 -12.5992 -12.5984 -4.9468 -4.9465 -2.3184 -2.3174 -1.5310 -1.5303 -0.8554 -0.8532 -0.2975 -0.2960 -0.1056 -0.1017 0.2644 0.2660 1.1158 1.1202 1.4213 1.4248 1.5937 1.6012 1.7437 1.7503 2.0018 2.0063 2.2130 2.2190 2.6994 2.7047 2.9624 2.9663 3.2085 3.2139 3.5300 3.5338 3.7969 3.8015 4.1801 4.1829 4.3995 4.4015 4.5992 4.6010 7.0722 7.0758 7.2237 7.2297 7.2514 7.2617 7.3095 7.3301 7.3813 7.4099 7.5019 7.5177 7.8378 7.8413 7.9559 7.9600 8.2783 8.2841 8.4977 8.5014 11.9571 11.9597 12.9120 12.9198 13.4830 13.4867 k =-0.3721-0.0571 0.2451 ( 4502 PWs) bands (ev): -16.1972 -16.1971 -15.1186 -15.1185 -13.6812 -13.6808 -13.1000 -13.0992 -13.0482 -13.0473 -12.8028 -12.8019 -12.5974 -12.5966 -4.9462 -4.9459 -2.3155 -2.3145 -1.5404 -1.5398 -0.8468 -0.8446 -0.3084 -0.3067 -0.1039 -0.1004 0.2664 0.2679 1.1453 1.1499 1.4219 1.4259 1.5921 1.5991 1.7304 1.7375 2.0068 2.0112 2.1934 2.1994 2.7080 2.7136 2.9515 2.9554 3.2019 3.2070 3.5321 3.5358 3.7973 3.8015 4.1833 4.1860 4.4010 4.4029 4.6168 4.6183 7.0727 7.0761 7.2247 7.2298 7.2519 7.2611 7.3094 7.3291 7.3815 7.4092 7.5013 7.5163 7.8332 7.8368 7.9564 7.9604 8.2828 8.2882 8.4980 8.5016 12.0280 12.0307 12.9136 12.9216 13.4934 13.4966 k =-0.3837-0.0589 0.2527 ( 4503 PWs) bands (ev): -16.1917 -16.1916 -15.1226 -15.1225 -13.6776 -13.6773 -13.1033 -13.1025 -13.0507 -13.0498 -12.8068 -12.8060 -12.5955 -12.5947 -4.9453 -4.9450 -2.3133 -2.3123 -1.5494 -1.5488 -0.8370 -0.8349 -0.3207 -0.3188 -0.1012 -0.0982 0.2684 0.2698 1.1737 1.1782 1.4205 1.4249 1.5920 1.5983 1.7183 1.7259 2.0116 2.0159 2.1744 2.1802 2.7165 2.7225 2.9411 2.9453 3.1956 3.2004 3.5331 3.5366 3.7978 3.8016 4.1874 4.1898 4.4016 4.4035 4.6346 4.6359 7.0733 7.0765 7.2254 7.2298 7.2522 7.2604 7.3093 7.3278 7.3821 7.4085 7.5007 7.5148 7.8278 7.8313 7.9576 7.9614 8.2867 8.2917 8.4983 8.5017 12.0953 12.0981 12.9166 12.9247 13.5039 13.5067 k =-0.3953-0.0607 0.2604 ( 4498 PWs) bands (ev): -16.1866 -16.1865 -15.1262 -15.1261 -13.6744 -13.6741 -13.1065 -13.1059 -13.0528 -13.0519 -12.8106 -12.8098 -12.5936 -12.5929 -4.9442 -4.9440 -2.3117 -2.3108 -1.5578 -1.5573 -0.8264 -0.8242 -0.3340 -0.3320 -0.0981 -0.0954 0.2703 0.2715 1.2001 1.2046 1.4178 1.4225 1.5932 1.5989 1.7075 1.7154 2.0159 2.0201 2.1563 2.1619 2.7248 2.7312 2.9314 2.9360 3.1897 3.1940 3.5333 3.5366 3.7984 3.8018 4.1920 4.1944 4.4014 4.4033 4.6522 4.6533 7.0738 7.0768 7.2260 7.2298 7.2524 7.2595 7.3091 7.3263 7.3831 7.4078 7.5002 7.5134 7.8218 7.8253 7.9594 7.9630 8.2900 8.2946 8.4986 8.5018 12.1584 12.1612 12.9210 12.9292 13.5143 13.5167 k =-0.4070-0.0625 0.2681 ( 4497 PWs) bands (ev): -16.1819 -16.1819 -15.1294 -15.1293 -13.6716 -13.6713 -13.1098 -13.1091 -13.0544 -13.0537 -12.8142 -12.8135 -12.5917 -12.5911 -4.9431 -4.9429 -2.3106 -2.3097 -1.5657 -1.5651 -0.8152 -0.8131 -0.3477 -0.3456 -0.0946 -0.0922 0.2720 0.2732 1.2238 1.2281 1.4154 1.4203 1.5952 1.6002 1.6977 1.7058 2.0199 2.0239 2.1393 2.1447 2.7326 2.7393 2.9225 2.9275 3.1842 3.1881 3.5329 3.5358 3.7992 3.8022 4.1971 4.1993 4.4006 4.4024 4.6693 4.6702 7.0744 7.0772 7.2265 7.2297 7.2524 7.2586 7.3090 7.3246 7.3844 7.4071 7.4999 7.5119 7.8156 7.8188 7.9616 7.9650 8.2928 8.2969 8.4990 8.5018 12.2167 12.2195 12.9269 12.9350 13.5242 13.5264 k =-0.4186-0.0643 0.2757 ( 4499 PWs) bands (ev): -16.1778 -16.1777 -15.1322 -15.1321 -13.6690 -13.6688 -13.1128 -13.1123 -13.0558 -13.0551 -12.8174 -12.8168 -12.5899 -12.5894 -4.9419 -4.9417 -2.3099 -2.3091 -1.5728 -1.5723 -0.8037 -0.8017 -0.3614 -0.3594 -0.0911 -0.0890 0.2737 0.2747 1.2439 1.2477 1.4148 1.4197 1.5972 1.6018 1.6889 1.6971 2.0233 2.0271 2.1238 2.1288 2.7399 2.7467 2.9146 2.9198 3.1791 3.1825 3.5318 3.5345 3.8001 3.8027 4.2024 4.2044 4.3993 4.4010 4.6854 4.6861 7.0750 7.0775 7.2268 7.2295 7.2522 7.2576 7.3090 7.3228 7.3859 7.4064 7.4996 7.5105 7.8092 7.8122 7.9641 7.9671 8.2952 8.2988 8.4993 8.5019 12.2694 12.2722 12.9341 12.9421 13.5336 13.5356 k =-0.4302-0.0661 0.2834 ( 4497 PWs) bands (ev): -16.1741 -16.1741 -15.1346 -15.1346 -13.6668 -13.6666 -13.1156 -13.1152 -13.0568 -13.0562 -12.8204 -12.8198 -12.5883 -12.5879 -4.9407 -4.9406 -2.3094 -2.3087 -1.5792 -1.5787 -0.7924 -0.7905 -0.3748 -0.3728 -0.0877 -0.0859 0.2752 0.2761 1.2591 1.2623 1.4175 1.4226 1.5984 1.6029 1.6812 1.6891 2.0263 2.0297 2.1098 2.1145 2.7465 2.7533 2.9076 2.9131 3.1746 3.1775 3.5305 3.5329 3.8011 3.8033 4.2077 4.2095 4.3977 4.3993 4.7002 4.7008 7.0756 7.0778 7.2271 7.2294 7.2520 7.2566 7.3091 7.3210 7.3875 7.4055 7.4995 7.5091 7.8032 7.8058 7.9666 7.9693 8.2971 8.3002 8.4997 8.5020 12.3160 12.3188 12.9426 12.9501 13.5423 13.5443 k =-0.4419-0.0679 0.2910 ( 4499 PWs) bands (ev): -16.1710 -16.1710 -15.1367 -15.1366 -13.6649 -13.6647 -13.1181 -13.1177 -13.0577 -13.0572 -12.8229 -12.8224 -12.5869 -12.5865 -4.9397 -4.9395 -2.3091 -2.3085 -1.5847 -1.5843 -0.7816 -0.7799 -0.3872 -0.3854 -0.0846 -0.0831 0.2765 0.2773 1.2692 1.2715 1.4244 1.4295 1.5982 1.6030 1.6748 1.6821 2.0288 2.0319 2.0977 2.1018 2.7524 2.7588 2.9018 2.9071 3.1707 3.1732 3.5290 3.5310 3.8021 3.8039 4.2127 4.2143 4.3960 4.3973 4.7133 4.7138 7.0761 7.0780 7.2273 7.2291 7.2518 7.2556 7.3092 7.3192 7.3892 7.4045 7.4996 7.5077 7.7976 7.7998 7.9692 7.9714 8.2986 8.3012 8.5001 8.5020 12.3561 12.3586 12.9518 12.9587 13.5501 13.5522 k =-0.4535-0.0696 0.2987 ( 4499 PWs) bands (ev): -16.1685 -16.1684 -15.1383 -15.1383 -13.6634 -13.6632 -13.1203 -13.1199 -13.0583 -13.0579 -12.8250 -12.8246 -12.5857 -12.5853 -4.9387 -4.9386 -2.3090 -2.3085 -1.5893 -1.5889 -0.7717 -0.7702 -0.3983 -0.3967 -0.0818 -0.0807 0.2776 0.2783 1.2746 1.2762 1.4348 1.4400 1.5962 1.6013 1.6700 1.6763 2.0310 2.0336 2.0875 2.0911 2.7574 2.7632 2.8972 2.9021 3.1674 3.1694 3.5276 3.5292 3.8031 3.8044 4.2172 4.2185 4.3942 4.3954 4.7245 4.7249 7.0766 7.0782 7.2274 7.2289 7.2516 7.2546 7.3095 7.3175 7.3910 7.4034 7.4999 7.5065 7.7927 7.7945 7.9715 7.9733 8.2997 8.3019 8.5005 8.5020 12.3891 12.3913 12.9612 12.9671 13.5570 13.5590 k =-0.4651-0.0714 0.3063 ( 4505 PWs) bands (ev): -16.1665 -16.1664 -15.1396 -15.1395 -13.6622 -13.6621 -13.1219 -13.1217 -13.0587 -13.0584 -12.8267 -12.8264 -12.5847 -12.5844 -4.9379 -4.9378 -2.3089 -2.3086 -1.5929 -1.5926 -0.7633 -0.7621 -0.4075 -0.4062 -0.0796 -0.0787 0.2785 0.2790 1.2767 1.2778 1.4471 1.4520 1.5926 1.5978 1.6668 1.6718 2.0328 2.0349 2.0795 2.0824 2.7617 2.7665 2.8938 2.8979 3.1649 3.1664 3.5263 3.5275 3.8039 3.8049 4.2210 4.2221 4.3927 4.3936 4.7335 4.7338 7.0770 7.0782 7.2275 7.2286 7.2514 7.2537 7.3100 7.3160 7.3927 7.4021 7.5002 7.5053 7.7887 7.7901 7.9734 7.9748 8.3007 8.3023 8.5009 8.5020 12.4149 12.4167 12.9699 12.9748 13.5628 13.5646 k =-0.4767-0.0732 0.3140 ( 4505 PWs) bands (ev): -16.1650 -16.1650 -15.1405 -15.1405 -13.6613 -13.6613 -13.1232 -13.1230 -13.0590 -13.0588 -12.8279 -12.8277 -12.5840 -12.5838 -4.9373 -4.9372 -2.3089 -2.3087 -1.5955 -1.5953 -0.7568 -0.7560 -0.4145 -0.4136 -0.0779 -0.0773 0.2792 0.2795 1.2771 1.2777 1.4592 1.4632 1.5884 1.5929 1.6651 1.6686 2.0343 2.0359 2.0737 2.0758 2.7651 2.7685 2.8917 2.8946 3.1632 3.1642 3.5254 3.5262 3.8046 3.8053 4.2240 4.2247 4.3915 4.3921 4.7401 4.7403 7.0774 7.0782 7.2277 7.2284 7.2514 7.2529 7.3106 7.3146 7.3944 7.4008 7.5008 7.5042 7.7859 7.7868 7.9750 7.9759 8.3014 8.3024 8.5012 8.5020 12.4335 12.4347 12.9773 12.9807 13.5674 13.5687 k =-0.4884-0.0750 0.3217 ( 4504 PWs) bands (ev): -16.1641 -16.1641 -15.1410 -15.1410 -13.6608 -13.6608 -13.1239 -13.1238 -13.0592 -13.0591 -12.8286 -12.8285 -12.5835 -12.5834 -4.9369 -4.9369 -2.3089 -2.3087 -1.5970 -1.5969 -0.7526 -0.7522 -0.4187 -0.4183 -0.0768 -0.0765 0.2796 0.2798 1.2770 1.2773 1.4685 1.4709 1.5854 1.5880 1.6647 1.6664 2.0355 2.0363 2.0704 2.0715 2.7675 2.7693 2.8908 2.8923 3.1622 3.1627 3.5249 3.5253 3.8051 3.8054 4.2259 4.2263 4.3908 4.3911 4.7442 4.7443 7.0777 7.0781 7.2278 7.2282 7.2516 7.2523 7.3113 7.3133 7.3961 7.3993 7.5015 7.5032 7.7842 7.7847 7.9761 7.9765 8.3019 8.3024 8.5015 8.5019 12.4447 12.4453 12.9825 12.9842 13.5704 13.5711 k =-0.5000-0.0768 0.3293 ( 4506 PWs) bands (ev): -16.1638 -16.1638 -15.1412 -15.1412 -13.6606 -13.6606 -13.1241 -13.1241 -13.0592 -13.0592 -12.8288 -12.8288 -12.5833 -12.5833 -4.9368 -4.9368 -2.3088 -2.3088 -1.5975 -1.5975 -0.7510 -0.7510 -0.4200 -0.4200 -0.0763 -0.0763 0.2798 0.2798 1.2769 1.2769 1.4729 1.4729 1.5851 1.5851 1.6652 1.6652 2.0362 2.0362 2.0697 2.0697 2.7689 2.7689 2.8910 2.8910 3.1621 3.1621 3.5249 3.5249 3.8054 3.8054 4.2267 4.2267 4.3906 4.3906 4.7456 4.7456 7.0780 7.0780 7.2280 7.2280 7.2519 7.2519 7.3122 7.3122 7.3978 7.3978 7.5022 7.5022 7.7838 7.7838 7.9766 7.9766 8.3022 8.3022 8.5017 8.5017 12.4487 12.4487 12.9849 12.9849 13.5717 13.5717 k =-0.5000-0.5088 0.2098 ( 4530 PWs) bands (ev): -16.1915 -16.1915 -15.0178 -15.0178 -13.7769 -13.7769 -13.1350 -13.1350 -13.0378 -13.0378 -12.8183 -12.8183 -12.6119 -12.6119 -4.8051 -4.8051 -2.0430 -2.0430 -2.0178 -2.0178 -1.0159 -1.0159 -0.3860 -0.3860 -0.1885 -0.1885 0.4514 0.4514 0.7178 0.7178 1.4194 1.4194 1.6037 1.6037 1.8685 1.8685 2.0646 2.0646 2.4436 2.4436 2.8575 2.8575 3.1322 3.1322 3.3459 3.3459 3.4840 3.4840 4.2019 4.2019 4.3426 4.3426 4.3730 4.3730 4.4917 4.4917 7.0568 7.0568 7.1247 7.1247 7.2451 7.2451 7.2618 7.2618 7.5019 7.5019 7.5843 7.5843 7.7626 7.7626 8.0483 8.0483 8.1250 8.1250 8.3895 8.3895 12.3669 12.3669 13.0344 13.0344 13.1194 13.1194 k =-0.4906-0.4992 0.2059 ( 4529 PWs) bands (ev): -16.1916 -16.1916 -15.0178 -15.0178 -13.7770 -13.7770 -13.1350 -13.1349 -13.0380 -13.0378 -12.8183 -12.8181 -12.6120 -12.6118 -4.8053 -4.8052 -2.0477 -2.0469 -2.0129 -2.0121 -1.0158 -1.0154 -0.3851 -0.3849 -0.1888 -0.1886 0.4506 0.4509 0.7180 0.7180 1.4189 1.4192 1.6036 1.6039 1.8680 1.8684 2.0643 2.0647 2.4432 2.4438 2.8566 2.8571 3.1318 3.1323 3.3450 3.3456 3.4834 3.4841 4.2014 4.2017 4.3415 4.3433 4.3715 4.3732 4.4911 4.4917 7.0563 7.0572 7.1246 7.1252 7.2436 7.2458 7.2615 7.2632 7.5014 7.5021 7.5839 7.5845 7.7625 7.7632 8.0478 8.0496 8.1243 8.1263 8.3897 8.3904 12.3676 12.3679 13.0337 13.0347 13.1187 13.1193 k =-0.4811-0.4896 0.2019 ( 4528 PWs) bands (ev): -16.1920 -16.1920 -15.0176 -15.0176 -13.7772 -13.7771 -13.1349 -13.1347 -13.0384 -13.0379 -12.8179 -12.8175 -12.6120 -12.6117 -4.8057 -4.8056 -2.0559 -2.0549 -2.0019 -2.0007 -1.0150 -1.0144 -0.3823 -0.3819 -0.1897 -0.1893 0.4483 0.4489 0.7187 0.7188 1.4177 1.4183 1.6035 1.6041 1.8671 1.8678 2.0639 2.0648 2.4424 2.4436 2.8544 2.8554 3.1311 3.1321 3.3430 3.3442 3.4823 3.4837 4.2002 4.2008 4.3401 4.3437 4.3689 4.3722 4.4901 4.4912 7.0557 7.0574 7.1249 7.1261 7.2416 7.2456 7.2624 7.2653 7.5005 7.5020 7.5834 7.5844 7.7627 7.7642 8.0478 8.0515 8.1241 8.1281 8.3910 8.3924 12.3700 12.3706 13.0322 13.0341 13.1178 13.1190 k =-0.4717-0.4800 0.1980 ( 4529 PWs) bands (ev): -16.1926 -16.1926 -15.0173 -15.0172 -13.7775 -13.7774 -13.1346 -13.1343 -13.0389 -13.0382 -12.8172 -12.8167 -12.6119 -12.6116 -4.8063 -4.8063 -2.0644 -2.0634 -1.9885 -1.9872 -1.0136 -1.0126 -0.3774 -0.3769 -0.1912 -0.1905 0.4446 0.4455 0.7199 0.7201 1.4159 1.4166 1.6035 1.6044 1.8657 1.8667 2.0634 2.0647 2.4413 2.4431 2.8511 2.8526 3.1300 3.1315 3.3399 3.3416 3.4808 3.4828 4.1982 4.1992 4.3383 4.3437 4.3651 4.3701 4.4886 4.4903 7.0550 7.0576 7.1256 7.1272 7.2393 7.2447 7.2641 7.2679 7.4992 7.5015 7.5825 7.5841 7.7634 7.7655 8.0484 8.0538 8.1248 8.1305 8.3932 8.3953 12.3742 12.3750 13.0282 13.0308 13.1184 13.1200 k =-0.4623-0.4704 0.1940 ( 4524 PWs) bands (ev): -16.1935 -16.1934 -15.0168 -15.0168 -13.7780 -13.7778 -13.1342 -13.1338 -13.0395 -13.0386 -12.8162 -12.8155 -12.6119 -12.6114 -4.8073 -4.8071 -2.0722 -2.0712 -1.9739 -1.9725 -1.0116 -1.0102 -0.3707 -0.3700 -0.1931 -0.1922 0.4395 0.4408 0.7217 0.7219 1.4133 1.4143 1.6034 1.6045 1.8640 1.8654 2.0626 2.0644 2.4399 2.4423 2.8467 2.8485 3.1286 3.1305 3.3358 3.3380 3.4788 3.4813 4.1954 4.1969 4.3361 4.3433 4.3604 4.3670 4.4866 4.4888 7.0543 7.0576 7.1266 7.1287 7.2369 7.2435 7.2664 7.2708 7.4977 7.5007 7.5815 7.5835 7.7644 7.7672 8.0494 8.0563 8.1264 8.1338 8.3966 8.3993 12.3801 12.3811 13.0197 13.0228 13.1225 13.1244 k =-0.4528-0.4608 0.1900 ( 4523 PWs) bands (ev): -16.1946 -16.1945 -15.0162 -15.0162 -13.7785 -13.7784 -13.1337 -13.1332 -13.0402 -13.0391 -12.8150 -12.8141 -12.6118 -12.6112 -4.8084 -4.8083 -2.0793 -2.0783 -1.9582 -1.9567 -1.0088 -1.0072 -0.3622 -0.3614 -0.1956 -0.1944 0.4330 0.4346 0.7241 0.7244 1.4100 1.4112 1.6030 1.6044 1.8622 1.8638 2.0615 2.0638 2.4384 2.4413 2.8412 2.8433 3.1269 3.1291 3.3309 3.3335 3.4763 3.4794 4.1918 4.1936 4.3334 4.3423 4.3550 4.3631 4.4842 4.4870 7.0536 7.0575 7.1279 7.1303 7.2347 7.2423 7.2690 7.2739 7.4958 7.4995 7.5802 7.5825 7.7656 7.7691 8.0505 8.0587 8.1295 8.1383 8.4009 8.4041 12.3876 12.3888 13.0057 13.0089 13.1313 13.1332 k =-0.4434-0.4512 0.1861 ( 4518 PWs) bands (ev): -16.1959 -16.1959 -15.0155 -15.0155 -13.7792 -13.7790 -13.1330 -13.1325 -13.0410 -13.0397 -12.8134 -12.8125 -12.6118 -12.6110 -4.8098 -4.8096 -2.0855 -2.0844 -1.9418 -1.9402 -1.0052 -1.0033 -0.3521 -0.3511 -0.1986 -0.1972 0.4252 0.4270 0.7272 0.7275 1.4061 1.4074 1.6023 1.6039 1.8604 1.8623 2.0600 2.0627 2.4366 2.4401 2.8349 2.8373 3.1247 3.1272 3.3252 3.3280 3.4734 3.4769 4.1873 4.1895 4.3303 4.3402 4.3499 4.3587 4.4815 4.4847 7.0528 7.0573 7.1294 7.1321 7.2326 7.2412 7.2718 7.2773 7.4936 7.4979 7.5785 7.5813 7.7671 7.7712 8.0515 8.0607 8.1342 8.1440 8.4060 8.4098 12.3968 12.3981 12.9862 12.9893 13.1446 13.1464 k =-0.4340-0.4416 0.1821 ( 4510 PWs) bands (ev): -16.1975 -16.1974 -15.0146 -15.0146 -13.7800 -13.7798 -13.1322 -13.1316 -13.0417 -13.0403 -12.8117 -12.8106 -12.6117 -12.6109 -4.8113 -4.8111 -2.0909 -2.0898 -1.9247 -1.9230 -1.0009 -0.9987 -0.3405 -0.3394 -0.2020 -0.2004 0.4162 0.4182 0.7310 0.7313 1.4015 1.4029 1.6012 1.6029 1.8588 1.8609 2.0579 2.0611 2.4349 2.4389 2.8279 2.8304 3.1221 3.1249 3.3189 3.3218 3.4700 3.4739 4.1817 4.1843 4.3263 4.3355 4.3464 4.3541 4.4786 4.4823 7.0520 7.0571 7.1310 7.1340 7.2307 7.2403 7.2747 7.2808 7.4910 7.4960 7.5766 7.5796 7.7687 7.7733 8.0523 8.0621 8.1407 8.1511 8.4119 8.4162 12.4074 12.4087 12.9618 12.9648 13.1614 13.1634 k =-0.4245-0.4320 0.1782 ( 4509 PWs) bands (ev): -16.1993 -16.1993 -15.0137 -15.0136 -13.7809 -13.7807 -13.1312 -13.1306 -13.0425 -13.0410 -12.8097 -12.8084 -12.6117 -12.6107 -4.8130 -4.8127 -2.0955 -2.0944 -1.9071 -1.9053 -0.9956 -0.9932 -0.3275 -0.3263 -0.2059 -0.2040 0.4060 0.4082 0.7355 0.7359 1.3962 1.3978 1.5994 1.6012 1.8575 1.8597 2.0552 2.0588 2.4331 2.4377 2.8204 2.8230 3.1189 3.1219 3.3121 3.3151 3.4663 3.4703 4.1750 4.1780 4.3213 4.3285 4.3447 4.3500 4.4756 4.4797 7.0512 7.0567 7.1327 7.1358 7.2291 7.2397 7.2776 7.2844 7.4880 7.4936 7.5742 7.5775 7.7703 7.7755 8.0528 8.0629 8.1490 8.1596 8.4185 8.4232 12.4191 12.4205 12.9335 12.9365 13.1810 13.1833 k =-0.4151-0.4224 0.1742 ( 4504 PWs) bands (ev): -16.2014 -16.2013 -15.0126 -15.0125 -13.7820 -13.7817 -13.1301 -13.1294 -13.0432 -13.0415 -12.8074 -12.8061 -12.6117 -12.6106 -4.8148 -4.8145 -2.0995 -2.0983 -1.8890 -1.8871 -0.9894 -0.9868 -0.3134 -0.3122 -0.2103 -0.2081 0.3947 0.3970 0.7408 0.7413 1.3903 1.3919 1.5969 1.5989 1.8567 1.8590 2.0518 2.0557 2.4315 2.4365 2.8127 2.8153 3.1151 3.1182 3.3050 3.3078 3.4621 3.4663 4.1672 4.1705 4.3149 4.3204 4.3436 4.3467 4.4726 4.4771 7.0504 7.0563 7.1343 7.1376 7.2279 7.2394 7.2805 7.2882 7.4847 7.4910 7.5716 7.5751 7.7720 7.7775 8.0530 8.0632 8.1588 8.1695 8.4256 8.4306 12.4317 12.4331 12.9021 12.9052 13.2027 13.2053 k =-0.4057-0.4128 0.1702 ( 4505 PWs) bands (ev): -16.2037 -16.2036 -15.0113 -15.0113 -13.7831 -13.7828 -13.1288 -13.1281 -13.0439 -13.0421 -12.8050 -12.8036 -12.6117 -12.6106 -4.8167 -4.8164 -2.1029 -2.1017 -1.8706 -1.8686 -0.9823 -0.9795 -0.2984 -0.2972 -0.2150 -0.2125 0.3824 0.3849 0.7469 0.7475 1.3839 1.3855 1.5936 1.5957 1.8564 1.8588 2.0475 2.0519 2.4299 2.4355 2.8049 2.8075 3.1104 3.1138 3.2976 3.3003 3.4575 3.4619 4.1583 4.1619 4.3070 4.3116 4.3423 4.3449 4.4698 4.4746 7.0495 7.0558 7.1358 7.1393 7.2270 7.2395 7.2835 7.2921 7.4811 7.4880 7.5684 7.5721 7.7735 7.7794 8.0529 8.0630 8.1699 8.1805 8.4332 8.4385 12.4444 12.4457 12.8685 12.8717 13.2260 13.2290 k =-0.3962-0.4032 0.1663 ( 4503 PWs) bands (ev): -16.2063 -16.2062 -15.0100 -15.0099 -13.7844 -13.7841 -13.1274 -13.1267 -13.0443 -13.0425 -12.8024 -12.8009 -12.6118 -12.6106 -4.8186 -4.8183 -2.1059 -2.1047 -1.8520 -1.8499 -0.9741 -0.9712 -0.2828 -0.2817 -0.2200 -0.2171 0.3693 0.3718 0.7537 0.7544 1.3769 1.3785 1.5896 1.5917 1.8565 1.8591 2.0424 2.0471 2.4286 2.4346 2.7974 2.7999 3.1049 3.1084 3.2902 3.2926 3.4528 3.4571 4.1483 4.1521 4.2979 4.3023 4.3410 4.3444 4.4672 4.4723 7.0487 7.0553 7.1372 7.1408 7.2264 7.2399 7.2864 7.2961 7.4771 7.4848 7.5649 7.5686 7.7748 7.7811 8.0526 8.0626 8.1821 8.1924 8.4411 8.4467 12.4562 12.4572 12.8339 12.8375 13.2503 13.2537 k =-0.3868-0.3936 0.1623 ( 4507 PWs) bands (ev): -16.2091 -16.2090 -15.0085 -15.0085 -13.7858 -13.7855 -13.1259 -13.1252 -13.0446 -13.0427 -12.7997 -12.7982 -12.6120 -12.6107 -4.8206 -4.8202 -2.1087 -2.1074 -1.8332 -1.8310 -0.9650 -0.9619 -0.2672 -0.2661 -0.2249 -0.2215 0.3555 0.3581 0.7612 0.7620 1.3694 1.3711 1.5848 1.5870 1.8572 1.8598 2.0365 2.0416 2.4276 2.4339 2.7904 2.7928 3.0985 3.1020 3.2828 3.2849 3.4478 3.4521 4.1373 4.1411 4.2881 4.2925 4.3401 4.3444 4.4652 4.4705 7.0477 7.0546 7.1385 7.1423 7.2262 7.2406 7.2893 7.3003 7.4728 7.4814 7.5608 7.5646 7.7761 7.7825 8.0522 8.0620 8.1950 8.2050 8.4493 8.4550 12.4652 12.4661 12.8001 12.8044 13.2753 13.2791 k =-0.3774-0.3840 0.1584 ( 4505 PWs) bands (ev): -16.2121 -16.2120 -15.0070 -15.0069 -13.7873 -13.7869 -13.1242 -13.1235 -13.0447 -13.0427 -12.7969 -12.7953 -12.6122 -12.6109 -4.8225 -4.8222 -2.1114 -2.1101 -1.8142 -1.8120 -0.9547 -0.9515 -0.2531 -0.2515 -0.2290 -0.2246 0.3411 0.3437 0.7693 0.7702 1.3617 1.3633 1.5794 1.5817 1.8582 1.8609 2.0298 2.0351 2.4268 2.4334 2.7841 2.7863 3.0909 3.0945 3.2753 3.2772 3.4428 3.4470 4.1252 4.1290 4.2777 4.2822 4.3397 4.3447 4.4637 4.4692 7.0468 7.0538 7.1396 7.1436 7.2264 7.2417 7.2922 7.3046 7.4683 7.4779 7.5564 7.5602 7.7771 7.7838 8.0517 8.0612 8.2082 8.2180 8.4576 8.4634 12.4686 12.4698 12.7699 12.7750 13.3007 13.3048 k =-0.3679-0.3744 0.1544 ( 4507 PWs) bands (ev): -16.2154 -16.2153 -15.0053 -15.0052 -13.7889 -13.7885 -13.1224 -13.1217 -13.0446 -13.0425 -12.7940 -12.7923 -12.6125 -12.6111 -4.8244 -4.8241 -2.1143 -2.1129 -1.7952 -1.7930 -0.9435 -0.9403 -0.2454 -0.2435 -0.2264 -0.2218 0.3263 0.3289 0.7779 0.7790 1.3537 1.3554 1.5735 1.5758 1.8596 1.8624 2.0224 2.0280 2.4262 2.4331 2.7788 2.7808 3.0823 3.0859 3.2678 3.2696 3.4379 3.4419 4.1123 4.1160 4.2671 4.2716 4.3398 4.3452 4.4628 4.4684 7.0458 7.0529 7.1406 7.1449 7.2269 7.2431 7.2950 7.3089 7.4636 7.4743 7.5516 7.5553 7.7780 7.7848 8.0510 8.0603 8.2217 8.2311 8.4658 8.4717 12.4627 12.4646 12.7468 12.7527 13.3261 13.3305 k =-0.3585-0.3648 0.1504 ( 4508 PWs) bands (ev): -16.2189 -16.2188 -15.0035 -15.0034 -13.7906 -13.7902 -13.1205 -13.1198 -13.0441 -13.0420 -12.7910 -12.7893 -12.6129 -12.6115 -4.8262 -4.8259 -2.1175 -2.1160 -1.7761 -1.7739 -0.9313 -0.9280 -0.2470 -0.2456 -0.2136 -0.2105 0.3111 0.3137 0.7870 0.7882 1.3457 1.3473 1.5671 1.5695 1.8610 1.8640 2.0144 2.0203 2.4259 2.4329 2.7746 2.7764 3.0726 3.0761 3.2601 3.2620 3.4333 3.4371 4.0985 4.1021 4.2564 4.2607 4.3402 4.3458 4.4627 4.4682 7.0447 7.0520 7.1414 7.1462 7.2276 7.2447 7.2978 7.3134 7.4588 7.4707 7.5464 7.5500 7.7788 7.7857 8.0502 8.0592 8.2350 8.2440 8.4740 8.4799 12.4445 12.4470 12.7340 12.7407 13.3515 13.3561 k =-0.3491-0.3552 0.1465 ( 4506 PWs) bands (ev): -16.2227 -16.2226 -15.0016 -15.0015 -13.7924 -13.7919 -13.1186 -13.1179 -13.0433 -13.0412 -12.7879 -12.7863 -12.6133 -12.6118 -4.8279 -4.8276 -2.1212 -2.1197 -1.7570 -1.7548 -0.9181 -0.9149 -0.2518 -0.2501 -0.1988 -0.1965 0.2959 0.2983 0.7961 0.7975 1.3379 1.3394 1.5606 1.5631 1.8626 1.8657 2.0061 2.0123 2.4257 2.4329 2.7717 2.7733 3.0618 3.0653 3.2521 3.2543 3.4292 3.4328 4.0841 4.0874 4.2458 4.2499 4.3410 4.3467 4.4632 4.4687 7.0437 7.0510 7.1422 7.1474 7.2285 7.2466 7.3004 7.3181 7.4539 7.4671 7.5408 7.5443 7.7795 7.7864 8.0492 8.0579 8.2479 8.2565 8.4819 8.4877 12.4131 12.4159 12.7324 12.7395 13.3766 13.3815 k =-0.3396-0.3456 0.1425 ( 4507 PWs) bands (ev): -16.2267 -16.2266 -14.9996 -14.9995 -13.7942 -13.7937 -13.1165 -13.1158 -13.0421 -13.0401 -12.7849 -12.7833 -12.6137 -12.6122 -4.8295 -4.8291 -2.1257 -2.1241 -1.7379 -1.7356 -0.9042 -0.9011 -0.2571 -0.2551 -0.1845 -0.1826 0.2806 0.2829 0.8053 0.8067 1.3303 1.3317 1.5542 1.5567 1.8641 1.8673 1.9977 2.0041 2.4257 2.4329 2.7701 2.7715 3.0500 3.0535 3.2438 3.2462 3.4258 3.4292 4.0691 4.0721 4.2355 4.2392 4.3420 4.3477 4.4644 4.4698 7.0426 7.0499 7.1430 7.1486 7.2295 7.2486 7.3030 7.3228 7.4490 7.4637 7.5350 7.5383 7.7802 7.7871 8.0480 8.0564 8.2603 8.2684 8.4895 8.4950 12.3702 12.3730 12.7400 12.7471 13.4015 13.4065 k =-0.3302-0.3360 0.1386 ( 4504 PWs) bands (ev): -16.2309 -16.2308 -14.9975 -14.9974 -13.7961 -13.7956 -13.1144 -13.1138 -13.0406 -13.0386 -12.7820 -12.7803 -12.6142 -12.6126 -4.8309 -4.8305 -2.1311 -2.1296 -1.7186 -1.7165 -0.8896 -0.8866 -0.2621 -0.2600 -0.1711 -0.1696 0.2653 0.2675 0.8140 0.8156 1.3230 1.3243 1.5481 1.5506 1.8655 1.8689 1.9893 1.9960 2.4257 2.4329 2.7699 2.7711 3.0374 3.0407 3.2350 3.2378 3.4232 3.4264 4.0535 4.0563 4.2256 4.2290 4.3433 4.3488 4.4663 4.4714 7.0415 7.0487 7.1436 7.1498 7.2306 7.2508 7.3054 7.3276 7.4441 7.4605 7.5289 7.5320 7.7808 7.7877 8.0466 8.0547 8.2719 8.2795 8.4966 8.5018 12.3186 12.3212 12.7536 12.7606 13.4262 13.4311 k =-0.3208-0.3264 0.1346 ( 4508 PWs) bands (ev): -16.2353 -16.2352 -14.9953 -14.9952 -13.7981 -13.7976 -13.1123 -13.1117 -13.0387 -13.0367 -12.7790 -12.7774 -12.6146 -12.6130 -4.8321 -4.8317 -2.1377 -2.1362 -1.6993 -1.6972 -0.8744 -0.8716 -0.2665 -0.2645 -0.1590 -0.1579 0.2504 0.2523 0.8220 0.8237 1.3162 1.3173 1.5426 1.5452 1.8669 1.8704 1.9813 1.9882 2.4256 2.4329 2.7711 2.7722 3.0240 3.0272 3.2256 3.2287 3.4216 3.4247 4.0376 4.0400 4.2163 4.2194 4.3447 4.3500 4.4687 4.4736 7.0404 7.0475 7.1443 7.1510 7.2317 7.2531 7.3076 7.3324 7.4394 7.4576 7.5226 7.5254 7.7813 7.7882 8.0449 8.0526 8.2825 8.2896 8.5031 8.5079 12.2603 12.2628 12.7707 12.7774 13.4505 13.4555 k =-0.3113-0.3168 0.1307 ( 4508 PWs) bands (ev): -16.2399 -16.2398 -14.9930 -14.9929 -13.8001 -13.7995 -13.1102 -13.1096 -13.0363 -13.0343 -12.7762 -12.7747 -12.6149 -12.6134 -4.8331 -4.8327 -2.1457 -2.1441 -1.6798 -1.6779 -0.8589 -0.8563 -0.2702 -0.2682 -0.1486 -0.1476 0.2357 0.2375 0.8289 0.8308 1.3099 1.3106 1.5382 1.5408 1.8683 1.8719 1.9738 1.9809 2.4255 2.4326 2.7734 2.7746 3.0101 3.0132 3.2158 3.2191 3.4211 3.4241 4.0215 4.0236 4.2078 4.2106 4.3463 4.3513 4.4715 4.4761 7.0394 7.0464 7.1449 7.1522 7.2329 7.2555 7.3097 7.3372 7.4349 7.4549 7.5162 7.5188 7.7819 7.7887 8.0428 8.0501 8.2921 8.2984 8.5089 8.5133 12.1970 12.1994 12.7892 12.7956 13.4746 13.4794 k =-0.3019-0.3072 0.1267 ( 4505 PWs) bands (ev): -16.2447 -16.2446 -14.9906 -14.9905 -13.8021 -13.8015 -13.1082 -13.1076 -13.0335 -13.0316 -12.7736 -12.7721 -12.6152 -12.6136 -4.8339 -4.8335 -2.1551 -2.1536 -1.6602 -1.6584 -0.8432 -0.8408 -0.2729 -0.2710 -0.1401 -0.1392 0.2216 0.2233 0.8343 0.8363 1.3038 1.3043 1.5352 1.5378 1.8701 1.8737 1.9670 1.9741 2.4251 2.4322 2.7766 2.7780 2.9959 2.9988 3.2055 3.2090 3.4216 3.4247 4.0051 4.0071 4.2003 4.2027 4.3480 4.3528 4.4748 4.4790 7.0385 7.0453 7.1456 7.1535 7.2341 7.2579 7.3116 7.3420 7.4307 7.4526 7.5099 7.5122 7.7825 7.7893 8.0404 8.0473 8.3003 8.3060 8.5140 8.5179 12.1298 12.1319 12.8079 12.8139 13.4983 13.5030 k =-0.2925-0.2976 0.1227 ( 4505 PWs) bands (ev): -16.2497 -16.2496 -14.9882 -14.9881 -13.8041 -13.8036 -13.1062 -13.1056 -13.0304 -13.0285 -12.7711 -12.7697 -12.6152 -12.6137 -4.8344 -4.8340 -2.1662 -2.1646 -1.6404 -1.6388 -0.8275 -0.8254 -0.2744 -0.2727 -0.1338 -0.1326 0.2082 0.2097 0.8378 0.8400 1.2978 1.2982 1.5339 1.5365 1.8723 1.8759 1.9609 1.9681 2.4246 2.4316 2.7805 2.7822 2.9816 2.9844 3.1949 3.1985 3.4233 3.4264 3.9887 3.9906 4.1938 4.1960 4.3497 4.3542 4.4783 4.4822 7.0377 7.0442 7.1462 7.1547 7.2352 7.2604 7.3134 7.3467 7.4267 7.4506 7.5035 7.5056 7.7832 7.7898 8.0375 8.0440 8.3072 8.3121 8.5183 8.5216 12.0593 12.0613 12.8257 12.8314 13.5216 13.5261 k =-0.2830-0.2880 0.1188 ( 4503 PWs) bands (ev): -16.2549 -16.2548 -14.9857 -14.9856 -13.8061 -13.8056 -13.1043 -13.1036 -13.0268 -13.0249 -12.7689 -12.7675 -12.6152 -12.6137 -4.8347 -4.8343 -2.1789 -2.1774 -1.6205 -1.6190 -0.8119 -0.8101 -0.2746 -0.2730 -0.1297 -0.1283 0.1957 0.1972 0.8392 0.8415 1.2916 1.2923 1.5346 1.5372 1.8754 1.8789 1.9556 1.9628 2.4238 2.4307 2.7845 2.7866 2.9678 2.9705 3.1843 3.1878 3.4258 3.4291 3.9723 3.9743 4.1884 4.1905 4.3515 4.3557 4.4820 4.4856 7.0371 7.0433 7.1468 7.1558 7.2364 7.2629 7.3150 7.3512 7.4232 7.4488 7.4973 7.4993 7.7839 7.7904 8.0342 8.0403 8.3125 8.3168 8.5217 8.5243 11.9860 11.9879 12.8421 12.8474 13.5441 13.5486 k =-0.2736-0.2784 0.1148 ( 4505 PWs) bands (ev): -16.2602 -16.2601 -14.9832 -14.9831 -13.8081 -13.8076 -13.1025 -13.1018 -13.0228 -13.0210 -12.7669 -12.7656 -12.6148 -12.6134 -4.8347 -4.8343 -2.1934 -2.1919 -1.6004 -1.5990 -0.7968 -0.7952 -0.2733 -0.2718 -0.1281 -0.1262 0.1842 0.1858 0.8381 0.8406 1.2851 1.2862 1.5371 1.5399 1.8796 1.8831 1.9513 1.9584 2.4227 2.4295 2.7878 2.7904 2.9550 2.9578 3.1739 3.1773 3.4293 3.4327 3.9561 3.9584 4.1844 4.1864 4.3531 4.3571 4.4859 4.4892 7.0366 7.0426 7.1473 7.1569 7.2375 7.2653 7.3164 7.3555 7.4200 7.4471 7.4912 7.4936 7.7847 7.7911 8.0305 8.0362 8.3163 8.3199 8.5242 8.5261 11.9105 11.9122 12.8565 12.8615 13.5656 13.5701 k =-0.2642-0.2688 0.1109 ( 4506 PWs) bands (ev): -16.2656 -16.2655 -14.9805 -14.9805 -13.8101 -13.8095 -13.1007 -13.1001 -13.0185 -13.0167 -12.7652 -12.7640 -12.6142 -12.6128 -4.8344 -4.8341 -2.2096 -2.2082 -1.5802 -1.5789 -0.7821 -0.7808 -0.2705 -0.2690 -0.1289 -0.1266 0.1741 0.1757 0.8344 0.8372 1.2785 1.2800 1.5414 1.5442 1.8852 1.8886 1.9481 1.9551 2.4214 2.4281 2.7894 2.7925 2.9444 2.9474 3.1639 3.1672 3.4335 3.4370 3.9404 3.9429 4.1816 4.1836 4.3546 4.3584 4.4899 4.4929 7.0364 7.0420 7.1478 7.1579 7.2386 7.2678 7.3177 7.3593 7.4171 7.4453 7.4854 7.4888 7.7855 7.7918 8.0264 8.0316 8.3184 8.3215 8.5257 8.5270 11.8329 11.8345 12.8688 12.8734 13.5857 13.5905 k =-0.2547-0.2592 0.1069 ( 4507 PWs) bands (ev): -16.2711 -16.2710 -14.9779 -14.9778 -13.8120 -13.8115 -13.0991 -13.0985 -13.0138 -13.0121 -12.7638 -12.7628 -12.6133 -12.6119 -4.8339 -4.8336 -2.2276 -2.2263 -1.5599 -1.5586 -0.7681 -0.7669 -0.2663 -0.2645 -0.1321 -0.1295 0.1653 0.1671 0.8282 0.8312 1.2716 1.2736 1.5469 1.5498 1.8920 1.8955 1.9466 1.9533 2.4197 2.4263 2.7881 2.7917 2.9371 2.9403 3.1546 3.1577 3.4384 3.4420 3.9252 3.9280 4.1802 4.1822 4.3559 4.3594 4.4940 4.4968 7.0364 7.0417 7.1483 7.1588 7.2397 7.2702 7.3188 7.3627 7.4147 7.4434 7.4800 7.4851 7.7865 7.7925 8.0218 8.0266 8.3188 8.3216 8.5262 8.5271 11.7537 11.7552 12.8789 12.8830 13.6040 13.6094 k =-0.2453-0.2496 0.1029 ( 4507 PWs) bands (ev): -16.2767 -16.2767 -14.9752 -14.9751 -13.8139 -13.8134 -13.0976 -13.0970 -13.0089 -13.0072 -12.7627 -12.7618 -12.6121 -12.6107 -4.8331 -4.8328 -2.2473 -2.2460 -1.5395 -1.5382 -0.7547 -0.7535 -0.2607 -0.2586 -0.1377 -0.1346 0.1582 0.1601 0.8194 0.8227 1.2648 1.2672 1.5529 1.5559 1.8991 1.9027 1.9482 1.9543 2.4178 2.4242 2.7829 2.7870 2.9339 2.9374 3.1462 3.1492 3.4437 3.4474 3.9107 3.9139 4.1802 4.1822 4.3567 4.3600 4.4981 4.5007 7.0366 7.0416 7.1486 7.1595 7.2408 7.2726 7.3197 7.3653 7.4126 7.4412 7.4752 7.4824 7.7875 7.7933 8.0168 8.0211 8.3174 8.3202 8.5255 8.5266 11.6731 11.6745 12.8866 12.8904 13.6203 13.6264 k =-0.2358-0.2400 0.0990 ( 4511 PWs) bands (ev): -16.2824 -16.2824 -14.9725 -14.9724 -13.8157 -13.8152 -13.0963 -13.0956 -13.0037 -13.0020 -12.7620 -12.7612 -12.6105 -12.6091 -4.8321 -4.8317 -2.2686 -2.2673 -1.5191 -1.5178 -0.7421 -0.7408 -0.2540 -0.2513 -0.1452 -0.1418 0.1526 0.1545 0.8083 0.8118 1.2583 1.2609 1.5587 1.5617 1.9047 1.9086 1.9549 1.9599 2.4156 2.4217 2.7737 2.7784 2.9351 2.9389 3.1390 3.1417 3.4494 3.4533 3.8972 3.9007 4.1816 4.1836 4.3571 4.3601 4.5024 4.5049 7.0371 7.0417 7.1488 7.1601 7.2419 7.2749 7.3203 7.3672 7.4109 7.4388 7.4712 7.4810 7.7885 7.7941 8.0114 8.0152 8.3143 8.3173 8.5239 8.5254 11.5915 11.5928 12.8923 12.8957 13.6345 13.6415 k =-0.2264-0.2304 0.0950 ( 4505 PWs) bands (ev): -16.2882 -16.2881 -14.9698 -14.9697 -13.8175 -13.8170 -13.0950 -13.0943 -12.9984 -12.9967 -12.7616 -12.7609 -12.6085 -12.6072 -4.8308 -4.8305 -2.2913 -2.2901 -1.4988 -1.4974 -0.7302 -0.7286 -0.2467 -0.2432 -0.1541 -0.1504 0.1485 0.1504 0.7950 0.7987 1.2521 1.2550 1.5637 1.5668 1.9074 1.9115 1.9682 1.9717 2.4130 2.4190 2.7613 2.7663 2.9402 2.9443 3.1331 3.1356 3.4554 3.4593 3.8847 3.8886 4.1843 4.1864 4.3568 4.3596 4.5068 4.5092 7.0380 7.0422 7.1490 7.1606 7.2430 7.2772 7.3206 7.3681 7.4094 7.4363 7.4684 7.4807 7.7896 7.7949 8.0056 8.0089 8.3095 8.3129 8.5215 8.5236 11.5090 11.5102 12.8960 12.8992 13.6467 13.6546 k =-0.2170-0.2208 0.0911 ( 4510 PWs) bands (ev): -16.2940 -16.2939 -14.9671 -14.9670 -13.8192 -13.8186 -13.0939 -13.0932 -12.9929 -12.9913 -12.7614 -12.7610 -12.6062 -12.6049 -4.8292 -4.8289 -2.3154 -2.3142 -1.4786 -1.4770 -0.7189 -0.7171 -0.2394 -0.2350 -0.1637 -0.1596 0.1457 0.1477 0.7797 0.7837 1.2466 1.2497 1.5674 1.5705 1.9074 1.9118 1.9870 1.9892 2.4103 2.4161 2.7467 2.7520 2.9480 2.9523 3.1289 3.1311 3.4614 3.4655 3.8735 3.8778 4.1882 4.1904 4.3559 4.3584 4.5112 4.5136 7.0390 7.0429 7.1491 7.1609 7.2441 7.2795 7.3202 7.3679 7.4082 7.4339 7.4666 7.4812 7.7907 7.7957 7.9994 8.0024 8.3031 8.3070 8.5186 8.5212 11.4261 11.4272 12.8980 12.9009 13.6572 13.6657 k =-0.2075-0.2112 0.0871 ( 4502 PWs) bands (ev): -16.2997 -16.2997 -14.9643 -14.9642 -13.8208 -13.8203 -13.0928 -13.0922 -12.9873 -12.9857 -12.7616 -12.7612 -12.6036 -12.6023 -4.8274 -4.8272 -2.3405 -2.3395 -1.4586 -1.4569 -0.7081 -0.7061 -0.2336 -0.2283 -0.1721 -0.1678 0.1442 0.1461 0.7629 0.7670 1.2418 1.2451 1.5697 1.5726 1.9059 1.9105 2.0094 2.0108 2.4075 2.4130 2.7312 2.7367 2.9573 2.9619 3.1264 3.1283 3.4675 3.4717 3.8638 3.8684 4.1933 4.1955 4.3542 4.3566 4.5158 4.5182 7.0404 7.0440 7.1490 7.1612 7.2453 7.2818 7.3193 7.3667 7.4072 7.4319 7.4661 7.4826 7.7920 7.7966 7.9928 7.9955 8.2953 8.2997 8.5151 8.5183 11.3430 11.3440 12.8984 12.9012 13.6661 13.6753 k =-0.1981-0.2016 0.0831 ( 4504 PWs) bands (ev): -16.3055 -16.3054 -14.9616 -14.9615 -13.8223 -13.8218 -13.0919 -13.0913 -12.9817 -12.9802 -12.7620 -12.7618 -12.6006 -12.5993 -4.8255 -4.8252 -2.3667 -2.3657 -1.4389 -1.4370 -0.6979 -0.6956 -0.2318 -0.2261 -0.1764 -0.1725 0.1436 0.1454 0.7448 0.7490 1.2380 1.2414 1.5702 1.5732 1.9038 1.9085 2.0337 2.0347 2.4048 2.4101 2.7157 2.7214 2.9674 2.9722 3.1259 3.1275 3.4734 3.4777 3.8557 3.8606 4.1995 4.2017 4.3518 4.3539 4.5205 4.5229 7.0421 7.0453 7.1489 7.1612 7.2462 7.2841 7.3176 7.3646 7.4064 7.4304 7.4667 7.4844 7.7932 7.7976 7.9859 7.9885 8.2862 8.2909 8.5113 8.5149 11.2599 11.2609 12.8975 12.9002 13.6738 13.6835 k =-0.1887-0.1920 0.0792 ( 4508 PWs) bands (ev): -16.3112 -16.3111 -14.9589 -14.9588 -13.8237 -13.8233 -13.0912 -13.0905 -12.9761 -12.9746 -12.7627 -12.7625 -12.5973 -12.5961 -4.8233 -4.8231 -2.3936 -2.3926 -1.4195 -1.4175 -0.6881 -0.6856 -0.2358 -0.2308 -0.1739 -0.1715 0.1438 0.1456 0.7256 0.7301 1.2351 1.2386 1.5693 1.5721 1.9015 1.9062 2.0581 2.0595 2.4026 2.4078 2.7011 2.7068 2.9774 2.9825 3.1276 3.1289 3.4792 3.4836 3.8493 3.8544 4.2065 4.2089 4.3486 4.3505 4.5251 4.5276 7.0440 7.0470 7.1486 7.1611 7.2471 7.2863 7.3151 7.3618 7.4058 7.4293 7.4683 7.4867 7.7945 7.7985 7.9786 7.9814 8.2758 8.2809 8.5073 8.5111 11.1773 11.1782 12.8956 12.8983 13.6806 13.6906 k =-0.1792-0.1824 0.0752 ( 4502 PWs) bands (ev): -16.3168 -16.3167 -14.9563 -14.9562 -13.8251 -13.8246 -13.0905 -13.0898 -12.9705 -12.9691 -12.7635 -12.7633 -12.5938 -12.5926 -4.8209 -4.8207 -2.4210 -2.4201 -1.4005 -1.3983 -0.6787 -0.6761 -0.2447 -0.2407 -0.1666 -0.1656 0.1446 0.1464 0.7058 0.7104 1.2332 1.2368 1.5668 1.5696 1.8991 1.9039 2.0811 2.0832 2.4016 2.4067 2.6880 2.6937 2.9869 2.9921 3.1315 3.1325 3.4847 3.4891 3.8448 3.8502 4.2144 4.2168 4.3447 4.3464 4.5298 4.5324 7.0461 7.0489 7.1483 7.1610 7.2477 7.2884 7.3117 7.3584 7.4055 7.4287 7.4708 7.4893 7.7959 7.7996 7.9712 7.9743 8.2643 8.2696 8.5031 8.5072 11.0954 11.0963 12.8929 12.8955 13.6868 13.6971 k =-0.1698-0.1728 0.0713 ( 4510 PWs) bands (ev): -16.3223 -16.3222 -14.9537 -14.9536 -13.8264 -13.8259 -13.0900 -13.0893 -12.9651 -12.9637 -12.7645 -12.7642 -12.5901 -12.5889 -4.8184 -4.8182 -2.4487 -2.4479 -1.3821 -1.3797 -0.6697 -0.6671 -0.2561 -0.2528 -0.1576 -0.1566 0.1459 0.1477 0.6856 0.6903 1.2323 1.2359 1.5631 1.5658 1.8968 1.9017 2.1010 2.1039 2.4026 2.4075 2.6770 2.6825 2.9955 3.0007 3.1377 3.1384 3.4899 3.4943 3.8422 3.8478 4.2227 4.2252 4.3403 4.3419 4.5344 4.5371 7.0485 7.0511 7.1478 7.1607 7.2480 7.2903 7.3077 7.3548 7.4054 7.4282 7.4738 7.4921 7.7973 7.8007 7.9636 7.9673 8.2519 8.2573 8.4988 8.5031 11.0146 11.0154 12.8895 12.8921 13.6927 13.7031 k =-0.1604-0.1632 0.0673 ( 4510 PWs) bands (ev): -16.3277 -16.3276 -14.9511 -14.9510 -13.8275 -13.8271 -13.0896 -13.0889 -12.9597 -12.9584 -12.7655 -12.7652 -12.5863 -12.5850 -4.8158 -4.8157 -2.4764 -2.4757 -1.3642 -1.3617 -0.6612 -0.6586 -0.2684 -0.2654 -0.1482 -0.1464 0.1475 0.1494 0.6653 0.6700 1.2324 1.2361 1.5582 1.5609 1.8948 1.8998 2.1164 2.1199 2.4064 2.4112 2.6683 2.6737 3.0032 3.0084 3.1457 3.1463 3.4947 3.4991 3.8417 3.8475 4.2312 4.2339 4.3357 4.3373 4.5389 4.5416 7.0512 7.0536 7.1473 7.1604 7.2480 7.2914 7.3036 7.3510 7.4056 7.4279 7.4774 7.4950 7.7987 7.8021 7.9560 7.9603 8.2387 8.2442 8.4947 8.4990 10.9353 10.9360 12.8856 12.8883 13.6985 13.7090 k =-0.1509-0.1536 0.0633 ( 4512 PWs) bands (ev): -16.3329 -16.3329 -14.9487 -14.9486 -13.8286 -13.8282 -13.0893 -13.0886 -12.9546 -12.9533 -12.7666 -12.7662 -12.5823 -12.5811 -4.8131 -4.8130 -2.5040 -2.5034 -1.3469 -1.3444 -0.6533 -0.6507 -0.2804 -0.2777 -0.1390 -0.1364 0.1493 0.1514 0.6452 0.6499 1.2335 1.2372 1.5524 1.5550 1.8931 1.8981 2.1260 2.1301 2.4138 2.4183 2.6622 2.6674 3.0101 3.0152 3.1554 3.1558 3.4991 3.5035 3.8433 3.8491 4.2393 4.2422 4.3313 4.3330 4.5430 4.5459 7.0539 7.0563 7.1468 7.1600 7.2475 7.2904 7.3010 7.3473 7.4059 7.4276 7.4813 7.4980 7.8002 7.8035 7.9485 7.9535 8.2249 8.2304 8.4906 8.4950 10.8577 10.8584 12.8814 12.8841 13.7045 13.7149 k =-0.1415-0.1440 0.0594 ( 4509 PWs) bands (ev): -16.3380 -16.3379 -14.9463 -14.9462 -13.8296 -13.8292 -13.0891 -13.0885 -12.9496 -12.9484 -12.7676 -12.7672 -12.5783 -12.5771 -4.8104 -4.8102 -2.5313 -2.5306 -1.3304 -1.3278 -0.6460 -0.6435 -0.2916 -0.2890 -0.1302 -0.1271 0.1512 0.1535 0.6254 0.6301 1.2356 1.2393 1.5458 1.5483 1.8917 1.8969 2.1295 2.1339 2.4246 2.4286 2.6588 2.6637 3.0166 3.0213 3.1661 3.1665 3.5032 3.5074 3.8468 3.8527 4.2463 4.2495 4.3278 4.3299 4.5469 4.5498 7.0569 7.0593 7.1463 7.1597 7.2465 7.2862 7.3011 7.3439 7.4062 7.4271 7.4855 7.5011 7.8017 7.8053 7.9412 7.9470 8.2107 8.2161 8.4867 8.4910 10.7822 10.7829 12.8771 12.8797 13.7108 13.7211 k =-0.1321-0.1344 0.0554 ( 4512 PWs) bands (ev): -16.3428 -16.3428 -14.9440 -14.9439 -13.8305 -13.8302 -13.0890 -13.0884 -12.9449 -12.9437 -12.7687 -12.7681 -12.5742 -12.5731 -4.8075 -4.8074 -2.5579 -2.5573 -1.3146 -1.3120 -0.6396 -0.6371 -0.3014 -0.2990 -0.1223 -0.1187 0.1532 0.1556 0.6061 0.6109 1.2386 1.2422 1.5386 1.5410 1.8907 1.8960 2.1273 2.1317 2.4380 2.4416 2.6578 2.6628 3.0229 3.0273 3.1774 3.1778 3.5069 3.5110 3.8523 3.8581 4.2514 4.2548 4.3262 4.3288 4.5503 4.5533 7.0599 7.0624 7.1457 7.1594 7.2449 7.2802 7.3025 7.3407 7.4062 7.4263 7.4898 7.5043 7.8033 7.8072 7.9342 7.9406 8.1963 8.2016 8.4829 8.4871 10.7092 10.7099 12.8726 12.8752 13.7175 13.7276 k =-0.1226-0.1248 0.0515 ( 4511 PWs) bands (ev): -16.3475 -16.3474 -14.9418 -14.9417 -13.8314 -13.8310 -13.0890 -13.0884 -12.9404 -12.9393 -12.7696 -12.7691 -12.5702 -12.5691 -4.8047 -4.8046 -2.5837 -2.5832 -1.2997 -1.2971 -0.6340 -0.6316 -0.3097 -0.3072 -0.1155 -0.1115 0.1552 0.1578 0.5876 0.5923 1.2424 1.2460 1.5308 1.5332 1.8901 1.8955 2.1203 2.1247 2.4529 2.4560 2.6593 2.6644 3.0292 3.0332 3.1887 3.1893 3.5104 3.5143 3.8594 3.8651 4.2535 4.2571 4.3275 4.3305 4.5533 4.5563 7.0631 7.0657 7.1453 7.1592 7.2427 7.2736 7.3044 7.3380 7.4059 7.4251 7.4942 7.5074 7.8050 7.8093 7.9275 7.9346 8.1820 8.1871 8.4794 8.4834 10.6392 10.6398 12.8681 12.8707 13.7246 13.7345 k =-0.1132-0.1152 0.0475 ( 4510 PWs) bands (ev): -16.3519 -16.3518 -14.9397 -14.9396 -13.8321 -13.8318 -13.0890 -13.0885 -12.9362 -12.9352 -12.7705 -12.7699 -12.5663 -12.5652 -4.8020 -4.8019 -2.6085 -2.6080 -1.2858 -1.2831 -0.6294 -0.6271 -0.3161 -0.3136 -0.1098 -0.1055 0.1572 0.1599 0.5700 0.5747 1.2470 1.2506 1.5226 1.5250 1.8899 1.8955 2.1097 2.1139 2.4679 2.4709 2.6628 2.6682 3.0357 3.0393 3.1998 3.2006 3.5136 3.5173 3.8681 3.8737 4.2524 4.2561 4.3322 4.3354 4.5558 4.5587 7.0662 7.0691 7.1448 7.1591 7.2399 7.2666 7.3063 7.3358 7.4051 7.4234 7.4985 7.5105 7.8069 7.8117 7.9213 7.9290 8.1679 8.1727 8.4760 8.4799 10.5724 10.5730 12.8637 12.8663 13.7323 13.7419 k =-0.1038-0.1056 0.0436 ( 4508 PWs) bands (ev): -16.3560 -16.3560 -14.9378 -14.9377 -13.8328 -13.8325 -13.0892 -13.0887 -12.9323 -12.9314 -12.7713 -12.7707 -12.5625 -12.5615 -4.7993 -4.7992 -2.6320 -2.6316 -1.2727 -1.2702 -0.6259 -0.6237 -0.3205 -0.3180 -0.1054 -0.1010 0.1591 0.1620 0.5534 0.5580 1.2523 1.2558 1.5142 1.5165 1.8903 1.8960 2.0965 2.1007 2.4820 2.4852 2.6682 2.6740 3.0426 3.0458 3.2103 3.2114 3.5166 3.5200 3.8780 3.8834 4.2488 4.2523 4.3394 4.3427 4.5576 4.5606 7.0695 7.0726 7.1446 7.1591 7.2365 7.2594 7.3083 7.3340 7.4038 7.4212 7.5028 7.5136 7.8089 7.8143 7.9155 7.9238 8.1542 8.1588 8.4728 8.4765 10.5092 10.5098 12.8595 12.8620 13.7406 13.7498 k =-0.0943-0.0960 0.0396 ( 4513 PWs) bands (ev): -16.3598 -16.3598 -14.9360 -14.9359 -13.8334 -13.8331 -13.0894 -13.0889 -12.9287 -12.9279 -12.7720 -12.7714 -12.5589 -12.5579 -4.7966 -4.7966 -2.6542 -2.6538 -1.2607 -1.2582 -0.6234 -0.6214 -0.3229 -0.3203 -0.1023 -0.0978 0.1610 0.1639 0.5380 0.5424 1.2582 1.2616 1.5056 1.5079 1.8911 1.8970 2.0817 2.0859 2.4949 2.4984 2.6748 2.6810 3.0498 3.0526 3.2201 3.2214 3.5195 3.5226 3.8889 3.8940 4.2436 4.2468 4.3484 4.3516 4.5590 4.5619 7.0726 7.0760 7.1445 7.1593 7.2326 7.2523 7.3104 7.3328 7.4019 7.4184 7.5069 7.5165 7.8112 7.8170 7.9102 7.9189 8.1411 8.1455 8.4699 8.4733 10.4500 10.4506 12.8555 12.8579 13.7492 13.7580 k =-0.0849-0.0864 0.0356 ( 4513 PWs) bands (ev): -16.3634 -16.3634 -14.9343 -14.9342 -13.8339 -13.8337 -13.0896 -13.0892 -12.9254 -12.9247 -12.7726 -12.7720 -12.5555 -12.5546 -4.7942 -4.7941 -2.6748 -2.6745 -1.2497 -1.2474 -0.6220 -0.6201 -0.3234 -0.3208 -0.1005 -0.0959 0.1628 0.1657 0.5238 0.5279 1.2645 1.2678 1.4970 1.4992 1.8925 1.8985 2.0660 2.0703 2.5062 2.5101 2.6823 2.6887 3.0573 3.0598 3.2291 3.2305 3.5223 3.5251 3.9003 3.9052 4.2374 4.2405 4.3581 4.3613 4.5598 4.5626 7.0757 7.0793 7.1446 7.1597 7.2283 7.2452 7.3125 7.3320 7.3995 7.4151 7.5108 7.5193 7.8138 7.8198 7.9055 7.9143 8.1288 8.1329 8.4671 8.4702 10.3952 10.3957 12.8518 12.8541 13.7583 13.7667 k =-0.0755-0.0768 0.0317 ( 4513 PWs) bands (ev): -16.3666 -16.3666 -14.9328 -14.9327 -13.8344 -13.8342 -13.0899 -13.0895 -12.9225 -12.9218 -12.7730 -12.7725 -12.5523 -12.5515 -4.7918 -4.7918 -2.6937 -2.6934 -1.2398 -1.2377 -0.6213 -0.6196 -0.3223 -0.3197 -0.0997 -0.0952 0.1645 0.1674 0.5109 0.5148 1.2712 1.2744 1.4884 1.4906 1.8944 1.9005 2.0500 2.0545 2.5161 2.5202 2.6901 2.6964 3.0649 3.0671 3.2370 3.2385 3.5249 3.5274 3.9120 3.9166 4.2310 4.2339 4.3680 4.3710 4.5601 4.5628 7.0787 7.0824 7.1451 7.1603 7.2237 7.2383 7.3146 7.3316 7.3967 7.4113 7.5144 7.5219 7.8165 7.8227 7.9013 7.9102 8.1175 8.1212 8.4645 8.4674 10.3451 10.3456 12.8484 12.8505 13.7677 13.7755 k =-0.0660-0.0672 0.0277 ( 4510 PWs) bands (ev): -16.3695 -16.3694 -14.9314 -14.9313 -13.8348 -13.8346 -13.0902 -13.0899 -12.9199 -12.9193 -12.7734 -12.7729 -12.5494 -12.5487 -4.7897 -4.7896 -2.7107 -2.7104 -1.2310 -1.2291 -0.6214 -0.6198 -0.3197 -0.3172 -0.0999 -0.0957 0.1662 0.1688 0.4994 0.5030 1.2781 1.2811 1.4801 1.4822 1.8968 1.9030 2.0342 2.0388 2.5247 2.5287 2.6978 2.7038 3.0724 3.0744 3.2440 3.2455 3.5274 3.5295 3.9235 3.9278 4.2247 4.2275 4.3776 4.3805 4.5600 4.5626 7.0815 7.0853 7.1461 7.1612 7.2189 7.2317 7.3168 7.3317 7.3934 7.4071 7.5179 7.5243 7.8195 7.8257 7.8977 7.9064 8.1072 8.1106 8.4622 8.4647 10.3000 10.3005 12.8453 12.8472 13.7772 13.7843 k =-0.0566-0.0576 0.0238 ( 4511 PWs) bands (ev): -16.3720 -16.3720 -14.9302 -14.9301 -13.8351 -13.8350 -13.0905 -13.0902 -12.9176 -12.9171 -12.7738 -12.7733 -12.5468 -12.5462 -4.7878 -4.7877 -2.7257 -2.7254 -1.2234 -1.2216 -0.6219 -0.6205 -0.3161 -0.3137 -0.1010 -0.0970 0.1677 0.1701 0.4893 0.4925 1.2850 1.2877 1.4722 1.4742 1.8999 1.9061 2.0189 2.0237 2.5320 2.5358 2.7049 2.7105 3.0796 3.0814 3.2499 3.2514 3.5296 3.5315 3.9345 3.9384 4.2190 4.2215 4.3865 4.3892 4.5596 4.5620 7.0841 7.0878 7.1474 7.1623 7.2141 7.2254 7.3191 7.3320 7.3900 7.4027 7.5209 7.5264 7.8225 7.8286 7.8946 7.9028 8.0981 8.1011 8.4600 8.4623 10.2603 10.2607 12.8426 12.8443 13.7864 13.7929 k =-0.0472-0.0480 0.0198 ( 4517 PWs) bands (ev): -16.3741 -16.3741 -14.9292 -14.9291 -13.8354 -13.8353 -13.0907 -13.0905 -12.9157 -12.9153 -12.7740 -12.7736 -12.5446 -12.5441 -4.7861 -4.7861 -2.7385 -2.7384 -1.2168 -1.2153 -0.6227 -0.6215 -0.3120 -0.3098 -0.1025 -0.0990 0.1691 0.1712 0.4807 0.4835 1.2916 1.2941 1.4648 1.4666 1.9036 1.9098 2.0045 2.0094 2.5381 2.5416 2.7112 2.7162 3.0863 3.0879 3.2549 3.2562 3.5317 3.5332 3.9446 3.9480 4.2139 4.2162 4.3945 4.3969 4.5591 4.5612 7.0864 7.0898 7.1492 7.1634 7.2093 7.2195 7.3214 7.3326 7.3866 7.3980 7.5236 7.5281 7.8256 7.8313 7.8920 7.8996 8.0903 8.0929 8.4582 8.4601 10.2262 10.2266 12.8403 12.8418 13.7952 13.8009 k =-0.0377-0.0384 0.0158 ( 4514 PWs) bands (ev): -16.3759 -16.3759 -14.9283 -14.9283 -13.8356 -13.8355 -13.0909 -13.0908 -12.9141 -12.9138 -12.7742 -12.7738 -12.5427 -12.5423 -4.7847 -4.7847 -2.7492 -2.7491 -1.2114 -1.2102 -0.6236 -0.6226 -0.3077 -0.3057 -0.1043 -0.1013 0.1703 0.1721 0.4737 0.4760 1.2978 1.2999 1.4582 1.4598 1.9079 1.9139 1.9912 1.9961 2.5433 2.5462 2.7167 2.7209 3.0922 3.0935 3.2589 3.2601 3.5335 3.5347 3.9535 3.9563 4.2097 4.2117 4.4013 4.4034 4.5585 4.5603 7.0884 7.0914 7.1515 7.1645 7.2050 7.2141 7.3238 7.3332 7.3835 7.3934 7.5260 7.5296 7.8286 7.8337 7.8900 7.8966 8.0839 8.0860 8.4567 8.4582 10.1980 10.1983 12.8385 12.8396 13.8033 13.8080 k =-0.0283-0.0288 0.0119 ( 4513 PWs) bands (ev): -16.3773 -16.3773 -14.9276 -14.9276 -13.8358 -13.8357 -13.0911 -13.0910 -12.9129 -12.9126 -12.7743 -12.7740 -12.5412 -12.5409 -4.7836 -4.7836 -2.7576 -2.7575 -1.2072 -1.2063 -0.6244 -0.6237 -0.3037 -0.3021 -0.1060 -0.1037 0.1713 0.1727 0.4683 0.4701 1.3032 1.3049 1.4527 1.4540 1.9128 1.9184 1.9793 1.9842 2.5473 2.5496 2.7211 2.7243 3.0970 3.0981 3.2620 3.2630 3.5350 3.5358 3.9608 3.9630 4.2064 4.2080 4.4069 4.4085 4.5579 4.5594 7.0901 7.0926 7.1542 7.1652 7.2014 7.2091 7.3262 7.3337 7.3810 7.3891 7.5279 7.5306 7.8314 7.8356 7.8886 7.8940 8.0790 8.0806 8.4555 8.4566 10.1758 10.1760 12.8370 12.8379 13.8102 13.8139 k =-0.0189-0.0192 0.0079 ( 4517 PWs) bands (ev): -16.3783 -16.3783 -14.9272 -14.9271 -13.8359 -13.8358 -13.0913 -13.0912 -12.9120 -12.9118 -12.7743 -12.7742 -12.5401 -12.5399 -4.7828 -4.7828 -2.7636 -2.7635 -1.2042 -1.2035 -0.6251 -0.6246 -0.3003 -0.2992 -0.1074 -0.1058 0.1722 0.1731 0.4645 0.4657 1.3075 1.3087 1.4485 1.4495 1.9179 1.9228 1.9696 1.9739 2.5503 2.5519 2.7244 2.7266 3.1007 3.1014 3.2642 3.2649 3.5361 3.5366 3.9663 3.9679 4.2041 4.2053 4.4110 4.4121 4.5576 4.5585 7.0915 7.0932 7.1571 7.1654 7.1990 7.2048 7.3285 7.3338 7.3794 7.3852 7.5294 7.5312 7.8338 7.8368 7.8879 7.8917 8.0754 8.0765 8.4546 8.4554 10.1599 10.1600 12.8360 12.8366 13.8157 13.8182 k =-0.0094-0.0096 0.0040 ( 4514 PWs) bands (ev): -16.3789 -16.3789 -14.9269 -14.9269 -13.8360 -13.8359 -13.0913 -13.0913 -12.9114 -12.9113 -12.7743 -12.7742 -12.5394 -12.5393 -4.7823 -4.7823 -2.7672 -2.7672 -1.2023 -1.2019 -0.6254 -0.6252 -0.2981 -0.2975 -0.1082 -0.1073 0.1728 0.1733 0.4623 0.4629 1.3104 1.3110 1.4460 1.4465 1.9228 1.9259 1.9632 1.9660 2.5523 2.5531 2.7266 2.7278 3.1030 3.1034 3.2657 3.2660 3.5368 3.5371 3.9699 3.9707 4.2029 4.2035 4.4136 4.4142 4.5574 4.5579 7.0925 7.0934 7.1600 7.1645 7.1982 7.2014 7.3306 7.3334 7.3790 7.3821 7.5305 7.5314 7.8356 7.8372 7.8879 7.8898 8.0734 8.0740 8.4542 8.4546 10.1503 10.1503 12.8355 12.8358 13.8193 13.8206 k = 0.0000 0.0000 0.0000 ( 4509 PWs) bands (ev): -16.3791 -16.3791 -14.9268 -14.9268 -13.8360 -13.8360 -13.0913 -13.0913 -12.9112 -12.9112 -12.7743 -12.7743 -12.5392 -12.5392 -4.7822 -4.7822 -2.7684 -2.7684 -1.2015 -1.2015 -0.6255 -0.6255 -0.2971 -0.2971 -0.1082 -0.1082 0.1732 0.1732 0.4618 0.4618 1.3116 1.3116 1.4453 1.4453 1.9260 1.9260 1.9618 1.9618 2.5533 2.5533 2.7278 2.7278 3.1039 3.1039 3.2662 3.2662 3.5371 3.5371 3.9714 3.9714 4.2027 4.2027 4.4147 4.4147 4.5575 4.5575 7.0932 7.0932 7.1626 7.1626 7.1991 7.1991 7.3323 7.3323 7.3799 7.3799 7.5312 7.5312 7.8368 7.8368 7.8885 7.8885 8.0730 8.0730 8.4542 8.4542 10.1471 10.1471 12.8354 12.8354 13.8210 13.8210 k = 0.0000 0.0000 0.0000 ( 4509 PWs) bands (ev): -16.3791 -16.3791 -14.9268 -14.9268 -13.8360 -13.8360 -13.0913 -13.0913 -12.9112 -12.9112 -12.7743 -12.7743 -12.5392 -12.5392 -4.7822 -4.7822 -2.7684 -2.7684 -1.2015 -1.2015 -0.6255 -0.6255 -0.2971 -0.2971 -0.1082 -0.1082 0.1732 0.1732 0.4618 0.4618 1.3116 1.3116 1.4453 1.4453 1.9260 1.9260 1.9618 1.9618 2.5533 2.5533 2.7278 2.7278 3.1039 3.1039 3.2662 3.2662 3.5371 3.5371 3.9714 3.9714 4.2027 4.2027 4.4147 4.4147 4.5575 4.5575 7.0932 7.0932 7.1626 7.1626 7.1991 7.1991 7.3323 7.3323 7.3799 7.3799 7.5312 7.5312 7.8368 7.8368 7.8885 7.8885 8.0730 8.0730 8.4542 8.4542 10.1471 10.1471 12.8354 12.8354 13.8210 13.8210 k = 0.0000 0.0000 0.0142 ( 4510 PWs) bands (ev): -16.3788 -16.3788 -14.9276 -14.9276 -13.8356 -13.8355 -13.0911 -13.0910 -12.9112 -12.9111 -12.7743 -12.7743 -12.5393 -12.5392 -4.7830 -4.7829 -2.7672 -2.7672 -1.2020 -1.2019 -0.6255 -0.6255 -0.2971 -0.2967 -0.1092 -0.1087 0.1735 0.1738 0.4628 0.4635 1.3123 1.3128 1.4453 1.4456 1.9260 1.9264 1.9618 1.9621 2.5505 2.5520 2.7277 2.7293 3.1028 3.1035 3.2655 3.2662 3.5366 3.5368 3.9708 3.9711 4.2021 4.2026 4.4142 4.4146 4.5567 4.5568 7.0925 7.0936 7.1611 7.1645 7.1987 7.2001 7.3314 7.3329 7.3795 7.3810 7.5307 7.5319 7.8365 7.8376 7.8880 7.8893 8.0730 8.0739 8.4546 8.4548 10.1498 10.1500 12.8353 12.8359 13.8197 13.8204 k = 0.0000 0.0000 0.0284 ( 4513 PWs) bands (ev): -16.3779 -16.3779 -14.9302 -14.9302 -13.8343 -13.8341 -13.0904 -13.0901 -12.9113 -12.9111 -12.7744 -12.7742 -12.5398 -12.5396 -4.7854 -4.7853 -2.7634 -2.7634 -1.2034 -1.2032 -0.6257 -0.6256 -0.2968 -0.2959 -0.1117 -0.1106 0.1748 0.1755 0.4663 0.4677 1.3148 1.3158 1.4454 1.4460 1.9265 1.9273 1.9621 1.9627 2.5440 2.5469 2.7290 2.7322 3.1003 3.1016 3.2639 3.2652 3.5351 3.5355 3.9694 3.9698 4.2009 4.2020 4.4130 4.4138 4.5542 4.5545 7.0914 7.0937 7.1598 7.1665 7.1990 7.2018 7.3301 7.3331 7.3795 7.3825 7.5304 7.5326 7.8365 7.8388 7.8876 7.8902 8.0741 8.0759 8.4558 8.4562 10.1582 10.1585 12.8356 12.8368 13.8164 13.8180 k = 0.0000 0.0000 0.0427 ( 4517 PWs) bands (ev): -16.3764 -16.3764 -14.9345 -14.9344 -13.8321 -13.8319 -13.0892 -13.0887 -12.9113 -12.9110 -12.7744 -12.7741 -12.5404 -12.5401 -4.7893 -4.7892 -2.7571 -2.7571 -1.2057 -1.2054 -0.6260 -0.6258 -0.2962 -0.2948 -0.1155 -0.1139 0.1769 0.1780 0.4723 0.4744 1.3192 1.3206 1.4457 1.4467 1.9274 1.9286 1.9627 1.9636 2.5341 2.5381 2.7316 2.7361 3.0964 3.0983 3.2614 3.2632 3.5328 3.5334 3.9671 3.9677 4.1991 4.2007 4.4112 4.4123 4.5503 4.5507 7.0901 7.0933 7.1589 7.1686 7.2000 7.2039 7.3286 7.3329 7.3801 7.3844 7.5301 7.5335 7.8370 7.8403 7.8875 7.8913 8.0762 8.0788 8.4579 8.4585 10.1723 10.1727 12.8362 12.8380 13.8114 13.8137 k = 0.0000 0.0000 0.0569 ( 4515 PWs) bands (ev): -16.3743 -16.3743 -14.9403 -14.9402 -13.8292 -13.8289 -13.0874 -13.0868 -12.9114 -12.9110 -12.7744 -12.7741 -12.5414 -12.5409 -4.7947 -4.7946 -2.7484 -2.7483 -1.2089 -1.2085 -0.6262 -0.6261 -0.2954 -0.2934 -0.1202 -0.1181 0.1799 0.1812 0.4808 0.4834 1.3252 1.3271 1.4464 1.4477 1.9286 1.9304 1.9636 1.9648 2.5212 2.5261 2.7350 2.7405 3.0914 3.0938 3.2575 3.2599 3.5300 3.5308 3.9639 3.9647 4.1968 4.1990 4.4086 4.4100 4.5450 4.5455 7.0885 7.0926 7.1584 7.1708 7.2017 7.2066 7.3269 7.3325 7.3813 7.3868 7.5300 7.5344 7.8380 7.8422 7.8877 7.8924 8.0794 8.0828 8.4608 8.4615 10.1919 10.1924 12.8371 12.8395 13.8049 13.8078 k = 0.0000 0.0000 0.0711 ( 4511 PWs) bands (ev): -16.3716 -16.3716 -14.9477 -14.9476 -13.8255 -13.8252 -13.0851 -13.0844 -12.9114 -12.9109 -12.7744 -12.7740 -12.5425 -12.5420 -4.8016 -4.8014 -2.7374 -2.7373 -1.2131 -1.2126 -0.6265 -0.6263 -0.2944 -0.2920 -0.1256 -0.1230 0.1836 0.1851 0.4916 0.4947 1.3326 1.3349 1.4477 1.4493 1.9301 1.9324 1.9648 1.9663 2.5056 2.5112 2.7388 2.7452 3.0854 3.0882 3.2521 3.2549 3.5268 3.5278 3.9598 3.9608 4.1943 4.1969 4.4051 4.4069 4.5385 4.5392 7.0867 7.0914 7.1584 7.1730 7.2040 7.2096 7.3251 7.3319 7.3828 7.3895 7.5299 7.5353 7.8394 7.8443 7.8882 7.8938 8.0836 8.0878 8.4643 8.4653 10.2169 10.2177 12.8382 12.8412 13.7970 13.8005 k = 0.0000 0.0000 0.0853 ( 4506 PWs) bands (ev): -16.3684 -16.3684 -14.9565 -14.9564 -13.8212 -13.8208 -13.0823 -13.0814 -12.9115 -12.9108 -12.7744 -12.7738 -12.5439 -12.5433 -4.8097 -4.8095 -2.7241 -2.7240 -1.2183 -1.2177 -0.6268 -0.6266 -0.2935 -0.2906 -0.1312 -0.1281 0.1879 0.1895 0.5045 0.5079 1.3412 1.3438 1.4498 1.4518 1.9319 1.9347 1.9662 1.9680 2.4878 2.4939 2.7427 2.7498 3.0785 3.0817 3.2450 3.2482 3.5235 3.5247 3.9548 3.9559 4.1915 4.1947 4.4007 4.4028 4.5311 4.5319 7.0845 7.0898 7.1590 7.1754 7.2068 7.2130 7.3233 7.3311 7.3848 7.3924 7.5297 7.5361 7.8412 7.8467 7.8892 7.8953 8.0889 8.0937 8.4684 8.4695 10.2474 10.2483 12.8395 12.8430 13.7880 13.7921 k = 0.0000 0.0000 0.0995 ( 4508 PWs) bands (ev): -16.3646 -16.3646 -14.9666 -14.9665 -13.8163 -13.8158 -13.0790 -13.0780 -12.9115 -12.9108 -12.7743 -12.7737 -12.5455 -12.5448 -4.8190 -4.8188 -2.7088 -2.7086 -1.2244 -1.2237 -0.6271 -0.6268 -0.2927 -0.2893 -0.1367 -0.1331 0.1925 0.1942 0.5193 0.5231 1.3503 1.3531 1.4532 1.4555 1.9338 1.9372 1.9678 1.9700 2.4679 2.4745 2.7464 2.7541 3.0708 3.0743 3.2361 3.2396 3.5203 3.5216 3.9489 3.9501 4.1887 4.1923 4.3953 4.3976 4.5230 4.5239 7.0821 7.0876 7.1599 7.1778 7.2100 7.2165 7.3216 7.3303 7.3872 7.3956 7.5295 7.5368 7.8432 7.8490 7.8906 7.8970 8.0953 8.1006 8.4729 8.4742 10.2832 10.2842 12.8407 12.8448 13.7782 13.7827 k = 0.0000 0.0000 0.1137 ( 4507 PWs) bands (ev): -16.3604 -16.3604 -14.9779 -14.9778 -13.8109 -13.8103 -13.0753 -13.0742 -12.9115 -12.9107 -12.7742 -12.7735 -12.5474 -12.5466 -4.8294 -4.8292 -2.6914 -2.6913 -1.2316 -1.2308 -0.6272 -0.6269 -0.2923 -0.2884 -0.1416 -0.1375 0.1975 0.1993 0.5360 0.5400 1.3593 1.3623 1.4584 1.4611 1.9358 1.9398 1.9696 1.9721 2.4464 2.4533 2.7497 2.7578 3.0622 3.0660 3.2256 3.2294 3.5173 3.5189 3.9420 3.9433 4.1860 4.1901 4.3886 4.3912 4.5145 4.5156 7.0793 7.0849 7.1612 7.1804 7.2134 7.2203 7.3200 7.3296 7.3898 7.3991 7.5292 7.5373 7.8453 7.8512 7.8928 7.8991 8.1028 8.1085 8.4776 8.4791 10.3241 10.3252 12.8417 12.8464 13.7677 13.7727 k = 0.0000 0.0000 0.1280 ( 4506 PWs) bands (ev): -16.3556 -16.3556 -14.9902 -14.9901 -13.8051 -13.8045 -13.0712 -13.0699 -12.9116 -12.9106 -12.7741 -12.7733 -12.5495 -12.5486 -4.8407 -4.8405 -2.6723 -2.6721 -1.2398 -1.2390 -0.6273 -0.6270 -0.2922 -0.2879 -0.1457 -0.1412 0.2027 0.2044 0.5543 0.5584 1.3676 1.3705 1.4661 1.4692 1.9377 1.9423 1.9715 1.9743 2.4235 2.4306 2.7523 2.7609 3.0528 3.0567 3.2139 3.2179 3.5147 3.5164 3.9342 3.9355 4.1834 4.1880 4.3805 4.3834 4.5059 4.5073 7.0761 7.0817 7.1629 7.1829 7.2170 7.2242 7.3186 7.3290 7.3927 7.4027 7.5286 7.5376 7.8473 7.8529 7.8957 7.9019 8.1113 8.1174 8.4825 8.4842 10.3699 10.3712 12.8424 12.8476 13.7566 13.7621 k = 0.0000 0.0000 0.1422 ( 4508 PWs) bands (ev): -16.3505 -16.3504 -15.0035 -15.0033 -13.7991 -13.7984 -13.0666 -13.0653 -12.9116 -12.9106 -12.7738 -12.7729 -12.5518 -12.5509 -4.8527 -4.8525 -2.6515 -2.6513 -1.2491 -1.2482 -0.6274 -0.6271 -0.2925 -0.2880 -0.1487 -0.1439 0.2079 0.2097 0.5741 0.5784 1.3743 1.3770 1.4768 1.4802 1.9396 1.9448 1.9733 1.9764 2.3994 2.4066 2.7541 2.7631 3.0422 3.0461 3.2015 3.2058 3.5124 3.5143 3.9255 3.9268 4.1812 4.1861 4.3710 4.3742 4.4976 4.4993 7.0727 7.0782 7.1648 7.1855 7.2206 7.2281 7.3176 7.3286 7.3959 7.4065 7.5279 7.5377 7.8487 7.8541 7.8997 7.9054 8.1208 8.1272 8.4874 8.4892 10.4205 10.4219 12.8425 12.8483 13.7451 13.7510 k = 0.0000 0.0000 0.1564 ( 4503 PWs) bands (ev): -16.3449 -16.3449 -15.0175 -15.0173 -13.7928 -13.7922 -13.0617 -13.0603 -12.9117 -12.9105 -12.7735 -12.7726 -12.5544 -12.5533 -4.8653 -4.8651 -2.6293 -2.6290 -1.2594 -1.2585 -0.6274 -0.6271 -0.2931 -0.2884 -0.1505 -0.1455 0.2133 0.2150 0.5954 0.5997 1.3791 1.3817 1.4908 1.4945 1.9415 1.9471 1.9749 1.9782 2.3744 2.3817 2.7548 2.7643 3.0303 3.0341 3.1892 3.1937 3.5104 3.5124 3.9158 3.9172 4.1791 4.1845 4.3602 4.3635 4.4899 4.4918 7.0690 7.0742 7.1668 7.1880 7.2243 7.2321 7.3169 7.3284 7.3992 7.4105 7.5269 7.5375 7.8494 7.8547 7.9047 7.9100 8.1313 8.1378 8.4922 8.4942 10.4756 10.4771 12.8418 12.8481 13.7330 13.7393 k = 0.0000 0.0000 0.1706 ( 4499 PWs) bands (ev): -16.3390 -16.3389 -15.0320 -15.0319 -13.7865 -13.7858 -13.0565 -13.0551 -12.9117 -12.9105 -12.7732 -12.7721 -12.5571 -12.5560 -4.8784 -4.8782 -2.6057 -2.6055 -1.2708 -1.2698 -0.6274 -0.6271 -0.2940 -0.2892 -0.1510 -0.1460 0.2185 0.2203 0.6180 0.6223 1.3821 1.3845 1.5076 1.5116 1.9433 1.9494 1.9759 1.9794 2.3490 2.3563 2.7543 2.7642 3.0170 3.0205 3.1778 3.1824 3.5086 3.5108 3.9054 3.9068 4.1773 4.1830 4.3481 4.3517 4.4828 4.4850 7.0649 7.0699 7.1689 7.1904 7.2280 7.2361 7.3166 7.3285 7.4026 7.4147 7.5256 7.5370 7.8494 7.8545 7.9105 7.9157 8.1427 8.1493 8.4968 8.4989 10.5350 10.5366 12.8400 12.8468 13.7199 13.7269 k = 0.0000 0.0000 0.1848 ( 4496 PWs) bands (ev): -16.3327 -16.3327 -15.0470 -15.0469 -13.7801 -13.7794 -13.0510 -13.0495 -12.9118 -12.9104 -12.7727 -12.7715 -12.5600 -12.5589 -4.8918 -4.8916 -2.5811 -2.5809 -1.2831 -1.2821 -0.6275 -0.6272 -0.2950 -0.2902 -0.1504 -0.1454 0.2237 0.2254 0.6419 0.6461 1.3835 1.3857 1.5268 1.5310 1.9451 1.9516 1.9760 1.9795 2.3235 2.3309 2.7520 2.7625 3.0024 3.0054 3.1680 3.1727 3.5071 3.5093 3.8940 3.8955 4.1755 4.1815 4.3351 4.3389 4.4765 4.4789 7.0606 7.0652 7.1710 7.1924 7.2318 7.2402 7.3168 7.3290 7.4061 7.4189 7.5241 7.5363 7.8485 7.8537 7.9172 7.9223 8.1549 8.1616 8.5010 8.5032 10.5983 10.5999 12.8368 12.8440 13.7054 13.7133 k = 0.0000 0.0000 0.1990 ( 4491 PWs) bands (ev): -16.3263 -16.3262 -15.0623 -15.0621 -13.7739 -13.7731 -13.0454 -13.0438 -12.9119 -12.9104 -12.7721 -12.7708 -12.5631 -12.5619 -4.9054 -4.9051 -2.5556 -2.5554 -1.2964 -1.2953 -0.6277 -0.6274 -0.2958 -0.2911 -0.1487 -0.1438 0.2288 0.2305 0.6670 0.6711 1.3837 1.3858 1.5478 1.5521 1.9469 1.9537 1.9746 1.9780 2.2988 2.3059 2.7477 2.7588 2.9869 2.9892 3.1603 3.1648 3.5056 3.5080 3.8820 3.8835 4.1736 4.1797 4.3216 4.3257 4.4709 4.4735 7.0560 7.0602 7.1729 7.1940 7.2357 7.2442 7.3174 7.3297 7.4097 7.4232 7.5223 7.5353 7.8469 7.8523 7.9245 7.9297 8.1678 8.1745 8.5048 8.5072 10.6652 10.6670 12.8319 12.8395 13.6886 13.6976 k = 0.0000 0.0000 0.2133 ( 4494 PWs) bands (ev): -16.3196 -16.3196 -15.0777 -15.0775 -13.7677 -13.7670 -13.0395 -13.0380 -12.9119 -12.9104 -12.7713 -12.7700 -12.5664 -12.5652 -4.9189 -4.9186 -2.5295 -2.5292 -1.3105 -1.3094 -0.6281 -0.6278 -0.2964 -0.2919 -0.1463 -0.1415 0.2336 0.2353 0.6933 0.6973 1.3830 1.3851 1.5698 1.5741 1.9487 1.9558 1.9714 1.9745 2.2753 2.2822 2.7407 2.7524 2.9713 2.9729 3.1546 3.1590 3.5043 3.5068 3.8692 3.8708 4.1711 4.1772 4.3082 4.3125 4.4661 4.4688 7.0512 7.0550 7.1747 7.1952 7.2397 7.2483 7.3183 7.3306 7.4133 7.4275 7.5203 7.5340 7.8447 7.8502 7.9323 7.9376 8.1813 8.1879 8.5082 8.5106 10.7354 10.7372 12.8250 12.8329 13.6686 13.6790 k = 0.0000 0.0000 0.2275 ( 4495 PWs) bands (ev): -16.3128 -16.3128 -15.0930 -15.0929 -13.7618 -13.7611 -13.0336 -13.0321 -12.9120 -12.9104 -12.7704 -12.7691 -12.5698 -12.5685 -4.9322 -4.9320 -2.5028 -2.5026 -1.3253 -1.3243 -0.6287 -0.6284 -0.2965 -0.2922 -0.1431 -0.1386 0.2383 0.2400 0.7207 0.7246 1.3815 1.3837 1.5922 1.5965 1.9498 1.9568 1.9669 1.9691 2.2541 2.2606 2.7305 2.7428 2.9564 2.9578 3.1510 3.1551 3.5031 3.5057 3.8558 3.8575 4.1677 4.1737 4.2957 4.3000 4.4619 4.4647 7.0462 7.0496 7.1762 7.1959 7.2439 7.2523 7.3196 7.3318 7.4169 7.4317 7.5181 7.5326 7.8421 7.8477 7.9405 7.9458 8.1953 8.2018 8.5110 8.5136 10.8085 10.8104 12.8155 12.8236 13.6448 13.6564 k = 0.0000 0.0000 0.2417 ( 4491 PWs) bands (ev): -16.3060 -16.3060 -15.1082 -15.1080 -13.7561 -13.7554 -13.0277 -13.0262 -12.9121 -12.9104 -12.7694 -12.7680 -12.5733 -12.5720 -4.9453 -4.9451 -2.4760 -2.4757 -1.3408 -1.3398 -0.6294 -0.6291 -0.2961 -0.2921 -0.1395 -0.1353 0.2427 0.2444 0.7492 0.7529 1.3796 1.3818 1.6143 1.6186 1.9468 1.9513 1.9642 1.9666 2.2360 2.2419 2.7167 2.7295 2.9431 2.9448 3.1491 3.1530 3.5021 3.5048 3.8418 3.8437 4.1629 4.1686 4.2847 4.2889 4.4583 4.4611 7.0411 7.0442 7.1776 7.1962 7.2483 7.2565 7.3212 7.3332 7.4204 7.4360 7.5157 7.5310 7.8392 7.8447 7.9489 7.9542 8.2097 8.2160 8.5133 8.5160 10.8842 10.8862 12.8031 12.8114 13.6169 13.6295 k = 0.0000 0.0000 0.2559 ( 4491 PWs) bands (ev): -16.2992 -16.2992 -15.1230 -15.1228 -13.7507 -13.7500 -13.0218 -13.0203 -12.9122 -12.9105 -12.7683 -12.7669 -12.5769 -12.5756 -4.9580 -4.9577 -2.4491 -2.4489 -1.3569 -1.3559 -0.6304 -0.6301 -0.2952 -0.2914 -0.1356 -0.1316 0.2469 0.2485 0.7786 0.7822 1.3772 1.3796 1.6354 1.6396 1.9351 1.9383 1.9656 1.9704 2.2216 2.2268 2.6990 2.7121 2.9324 2.9345 3.1487 3.1524 3.5013 3.5041 3.8274 3.8294 4.1564 4.1615 4.2759 4.2797 4.4552 4.4580 7.0359 7.0386 7.1788 7.1961 7.2528 7.2606 7.3230 7.3346 7.4239 7.4401 7.5133 7.5293 7.8360 7.8415 7.9574 7.9625 8.2242 8.2304 8.5150 8.5178 10.9619 10.9640 12.7874 12.7957 13.5857 13.5985 k = 0.0000 0.0000 0.2701 ( 4493 PWs) bands (ev): -16.2925 -16.2925 -15.1373 -15.1372 -13.7457 -13.7450 -13.0161 -13.0146 -12.9124 -12.9106 -12.7670 -12.7655 -12.5806 -12.5793 -4.9701 -4.9699 -2.4226 -2.4223 -1.3732 -1.3722 -0.6316 -0.6313 -0.2937 -0.2902 -0.1315 -0.1279 0.2508 0.2524 0.8090 0.8124 1.3746 1.3770 1.6548 1.6588 1.9173 1.9203 1.9709 1.9763 2.2111 2.2156 2.6779 2.6909 2.9247 2.9271 3.1494 3.1529 3.5008 3.5037 3.8126 3.8148 4.1480 4.1525 4.2695 4.2729 4.4525 4.4553 7.0307 7.0331 7.1798 7.1957 7.2574 7.2648 7.3249 7.3361 7.4273 7.4440 7.5109 7.5275 7.8327 7.8380 7.9656 7.9706 8.2388 8.2447 8.5162 8.5190 11.0413 11.0434 12.7679 12.7761 13.5522 13.5648 k = 0.0000 0.0000 0.2843 ( 4498 PWs) bands (ev): -16.2860 -16.2860 -15.1510 -15.1508 -13.7410 -13.7404 -13.0105 -13.0091 -12.9125 -12.9107 -12.7655 -12.7641 -12.5842 -12.5829 -4.9815 -4.9813 -2.3966 -2.3963 -1.3896 -1.3887 -0.6329 -0.6327 -0.2918 -0.2886 -0.1274 -0.1241 0.2544 0.2559 0.8400 0.8433 1.3717 1.3742 1.6715 1.6754 1.8958 1.8989 1.9785 1.9842 2.2043 2.2082 2.6537 2.6664 2.9199 2.9223 3.1511 3.1544 3.5008 3.5037 3.7976 3.7999 4.1381 4.1417 4.2653 4.2683 4.4503 4.4530 7.0255 7.0276 7.1806 7.1950 7.2620 7.2689 7.3269 7.3376 7.4305 7.4478 7.5085 7.5255 7.8294 7.8344 7.9736 7.9784 8.2532 8.2589 8.5168 8.5196 11.1217 11.1239 12.7444 12.7524 13.5178 13.5297 k = 0.0000 0.0000 0.2986 ( 4493 PWs) bands (ev): -16.2797 -16.2797 -15.1638 -15.1637 -13.7367 -13.7361 -13.0052 -13.0039 -12.9126 -12.9109 -12.7640 -12.7626 -12.5878 -12.5866 -4.9922 -4.9920 -2.3714 -2.3711 -1.4060 -1.4051 -0.6344 -0.6342 -0.2894 -0.2865 -0.1233 -0.1203 0.2577 0.2592 0.8716 0.8747 1.3686 1.3712 1.6844 1.6882 1.8723 1.8755 1.9882 1.9939 2.2009 2.2041 2.6272 2.6395 2.9173 2.9196 3.1535 3.1565 3.5012 3.5042 3.7825 3.7850 4.1270 4.1299 4.2630 4.2656 4.4484 4.4510 7.0205 7.0223 7.1813 7.1942 7.2664 7.2729 7.3289 7.3390 7.4337 7.4512 7.5064 7.5236 7.8261 7.8309 7.9813 7.9857 8.2673 8.2727 8.5169 8.5197 11.2027 11.2049 12.7165 12.7242 13.4840 13.4948 k = 0.0000 0.0000 0.3128 ( 4492 PWs) bands (ev): -16.2739 -16.2738 -15.1758 -15.1757 -13.7328 -13.7323 -13.0003 -12.9990 -12.9128 -12.9111 -12.7624 -12.7611 -12.5913 -12.5901 -5.0020 -5.0018 -2.3474 -2.3471 -1.4220 -1.4212 -0.6359 -0.6357 -0.2868 -0.2842 -0.1194 -0.1167 0.2607 0.2621 0.9035 0.9064 1.3653 1.3680 1.6922 1.6962 1.8490 1.8522 2.0000 2.0056 2.2003 2.2030 2.5992 2.6109 2.9166 2.9187 3.1564 3.1591 3.5021 3.5051 3.7675 3.7701 4.1154 4.1178 4.2621 4.2644 4.4468 4.4492 7.0157 7.0172 7.1819 7.1933 7.2708 7.2768 7.3308 7.3403 7.4368 7.4542 7.5044 7.5215 7.8229 7.8273 7.9885 7.9925 8.2809 8.2860 8.5165 8.5193 11.2835 11.2857 12.6843 12.6915 13.4518 13.4615 k = 0.0000 0.0000 0.3270 ( 4491 PWs) bands (ev): -16.2684 -16.2684 -15.1867 -15.1866 -13.7294 -13.7289 -12.9957 -12.9946 -12.9129 -12.9113 -12.7607 -12.7595 -12.5946 -12.5935 -5.0109 -5.0107 -2.3249 -2.3246 -1.4373 -1.4366 -0.6374 -0.6372 -0.2841 -0.2818 -0.1157 -0.1134 0.2634 0.2647 0.9353 0.9380 1.3617 1.3645 1.6936 1.6977 1.8284 1.8315 2.0134 2.0188 2.2019 2.2044 2.5705 2.5816 2.9171 2.9190 3.1595 3.1619 3.5036 3.5066 3.7528 3.7555 4.1040 4.1058 4.2622 4.2642 4.4455 4.4477 7.0112 7.0125 7.1825 7.1924 7.2749 7.2804 7.3327 7.3414 7.4397 7.4567 7.5027 7.5195 7.8199 7.8239 7.9951 7.9987 8.2938 8.2985 8.5157 8.5184 11.3632 11.3654 12.6480 12.6546 13.4224 13.4308 k = 0.0000 0.0000 0.3412 ( 4489 PWs) bands (ev): -16.2635 -16.2635 -15.1964 -15.1964 -13.7264 -13.7260 -12.9916 -12.9906 -12.9131 -12.9115 -12.7591 -12.7579 -12.5977 -12.5967 -5.0187 -5.0186 -2.3042 -2.3040 -1.4516 -1.4510 -0.6388 -0.6386 -0.2814 -0.2795 -0.1124 -0.1103 0.2658 0.2670 0.9665 0.9689 1.3580 1.3607 1.6874 1.6917 1.8129 1.8158 2.0280 2.0330 2.2055 2.2079 2.5418 2.5521 2.9184 2.9200 3.1626 3.1648 3.5056 3.5085 3.7388 3.7414 4.0931 4.0946 4.2628 4.2646 4.4444 4.4464 7.0071 7.0082 7.1831 7.1915 7.2787 7.2837 7.3344 7.3423 7.4425 7.4585 7.5016 7.5174 7.8172 7.8207 8.0010 8.0042 8.3058 8.3101 8.5146 8.5171 11.4408 11.4430 12.6082 12.6142 13.3963 13.4034 k = 0.0000 0.0000 0.3554 ( 4487 PWs) bands (ev): -16.2592 -16.2592 -15.2049 -15.2048 -13.7238 -13.7235 -12.9880 -12.9871 -12.9132 -12.9118 -12.7575 -12.7565 -12.6004 -12.5996 -5.0255 -5.0254 -2.2859 -2.2856 -1.4646 -1.4640 -0.6401 -0.6400 -0.2788 -0.2772 -0.1094 -0.1077 0.2679 0.2689 0.9965 0.9986 1.3540 1.3566 1.6745 1.6788 1.8034 1.8058 2.0428 2.0473 2.2108 2.2132 2.5139 2.5233 2.9202 2.9215 3.1657 3.1675 3.5080 3.5108 3.7258 3.7283 4.0833 4.0845 4.2638 4.2653 4.4436 4.4453 7.0035 7.0044 7.1836 7.1906 7.2823 7.2865 7.3361 7.3430 7.4452 7.4598 7.5009 7.5154 7.8148 7.8179 8.0061 8.0089 8.3167 8.3204 8.5132 8.5155 11.5148 11.5169 12.5662 12.5715 13.3740 13.3798 k = 0.0000 0.0000 0.3696 ( 4494 PWs) bands (ev): -16.2556 -16.2556 -15.2119 -15.2119 -13.7217 -13.7214 -12.9849 -12.9842 -12.9132 -12.9121 -12.7561 -12.7552 -12.6028 -12.6021 -5.0311 -5.0310 -2.2701 -2.2699 -1.4759 -1.4754 -0.6412 -0.6411 -0.2765 -0.2752 -0.1068 -0.1054 0.2696 0.2705 1.0243 1.0261 1.3498 1.3522 1.6579 1.6618 1.7984 1.8003 2.0568 2.0607 2.2176 2.2200 2.4877 2.4960 2.9220 2.9231 3.1685 3.1699 3.5108 3.5132 3.7141 3.7163 4.0749 4.0758 4.2649 4.2661 4.4430 4.4444 7.0004 7.0011 7.1842 7.1897 7.2853 7.2888 7.3375 7.3433 7.4477 7.4602 7.5009 7.5133 7.8128 7.8153 8.0105 8.0127 8.3261 8.3293 8.5118 8.5138 11.5832 11.5852 12.5239 12.5284 13.3558 13.3603 k = 0.0000 0.0000 0.3839 ( 4490 PWs) bands (ev): -16.2527 -16.2527 -15.2175 -15.2174 -13.7201 -13.7198 -12.9825 -12.9820 -12.9133 -12.9124 -12.7548 -12.7542 -12.6047 -12.6042 -5.0355 -5.0354 -2.2574 -2.2572 -1.4851 -1.4847 -0.6422 -0.6421 -0.2746 -0.2736 -0.1047 -0.1037 0.2710 0.2716 1.0487 1.0501 1.3457 1.3478 1.6412 1.6444 1.7962 1.7975 2.0691 2.0721 2.2254 2.2278 2.4644 2.4713 2.9238 2.9246 3.1708 3.1720 3.5136 3.5156 3.7043 3.7062 4.0682 4.0688 4.2659 4.2669 4.4426 4.4437 6.9980 6.9986 7.1848 7.1889 7.2878 7.2906 7.3389 7.3434 7.4502 7.4601 7.5014 7.5113 7.8113 7.8132 8.0140 8.0157 8.3339 8.3364 8.5106 8.5122 11.6435 11.6452 12.4841 12.4877 13.3417 13.3450 k = 0.0000 0.0000 0.3981 ( 4491 PWs) bands (ev): -16.2506 -16.2506 -15.2215 -15.2215 -13.7189 -13.7187 -12.9807 -12.9804 -12.9132 -12.9126 -12.7539 -12.7534 -12.6061 -12.6058 -5.0387 -5.0386 -2.2480 -2.2479 -1.4919 -1.4917 -0.6428 -0.6428 -0.2731 -0.2725 -0.1032 -0.1025 0.2720 0.2725 1.0681 1.0691 1.3421 1.3436 1.6273 1.6296 1.7952 1.7961 2.0786 2.0806 2.2333 2.2354 2.4456 2.4508 2.9252 2.9257 3.1726 3.1734 3.5161 3.5175 3.6969 3.6983 4.0633 4.0637 4.2667 4.2674 4.4424 4.4431 6.9962 6.9966 7.1854 7.1881 7.2899 7.2918 7.3401 7.3432 7.4525 7.4594 7.5024 7.5092 7.8103 7.8116 8.0166 8.0177 8.3399 8.3416 8.5096 8.5107 11.6918 11.6931 12.4505 12.4531 13.3318 13.3340 k = 0.0000 0.0000 0.4123 ( 4489 PWs) bands (ev): -16.2493 -16.2493 -15.2240 -15.2239 -13.7181 -13.7181 -12.9796 -12.9794 -12.9132 -12.9128 -12.7532 -12.7530 -12.6070 -12.6068 -5.0406 -5.0405 -2.2422 -2.2422 -1.4961 -1.4960 -0.6432 -0.6432 -0.2721 -0.2718 -0.1022 -0.1018 0.2727 0.2729 1.0809 1.0814 1.3396 1.3404 1.6184 1.6196 1.7950 1.7954 2.0847 2.0857 2.2397 2.2410 2.4335 2.4363 2.9262 2.9264 3.1738 3.1742 3.5179 3.5187 3.6924 3.6931 4.0603 4.0605 4.2673 4.2677 4.4423 4.4427 6.9952 6.9954 7.1860 7.1874 7.2913 7.2923 7.3412 7.3428 7.4546 7.4581 7.5038 7.5073 7.8098 7.8104 8.0183 8.0189 8.3437 8.3446 8.5091 8.5096 11.7237 11.7245 12.4279 12.4292 13.3261 13.3272 k = 0.0000 0.0000 0.4265 ( 4490 PWs) bands (ev): -16.2489 -16.2489 -15.2248 -15.2248 -13.7179 -13.7179 -12.9792 -12.9792 -12.9130 -12.9130 -12.7529 -12.7529 -12.6072 -12.6072 -5.0412 -5.0412 -2.2403 -2.2403 -1.4975 -1.4975 -0.6434 -0.6434 -0.2717 -0.2717 -0.1017 -0.1017 0.2730 0.2730 1.0855 1.0855 1.3390 1.3390 1.6157 1.6157 1.7950 1.7950 2.0871 2.0871 2.2427 2.2427 2.4302 2.4302 2.9266 2.9266 3.1744 3.1744 3.5189 3.5189 3.6911 3.6911 4.0594 4.0594 4.2677 4.2677 4.4424 4.4424 6.9949 6.9949 7.1867 7.1867 7.2921 7.2921 7.3420 7.3420 7.4565 7.4565 7.5055 7.5055 7.8098 7.8098 8.0191 8.0191 8.3453 8.3453 8.5091 8.5091 11.7352 11.7352 12.4202 12.4202 13.3246 13.3246 k = 0.0000-0.4320 0.3070 ( 4510 PWs) bands (ev): -16.2655 -16.2655 -15.0614 -15.0614 -13.8332 -13.8332 -13.1024 -13.1024 -12.9069 -12.9069 -12.7361 -12.7361 -12.6240 -12.6240 -4.8519 -4.8519 -1.9809 -1.9809 -1.3801 -1.3801 -0.5917 -0.5917 -0.3382 -0.3382 -0.2914 -0.2914 0.4235 0.4235 0.6756 0.6756 1.1033 1.1033 1.4361 1.4361 1.5757 1.5757 2.2596 2.2596 2.5214 2.5214 2.7006 2.7006 2.7983 2.7983 3.0965 3.0965 3.2854 3.2854 3.9381 3.9381 4.1051 4.1051 4.1736 4.1736 4.3837 4.3837 6.9934 6.9934 7.0335 7.0335 7.2398 7.2398 7.2886 7.2886 7.4361 7.4361 7.5762 7.5762 7.8102 7.8102 8.1435 8.1435 8.4788 8.4788 8.7684 8.7684 12.2172 12.2172 13.0428 13.0428 13.3241 13.3241 k = 0.0000-0.4207 0.2989 ( 4513 PWs) bands (ev): -16.2657 -16.2657 -15.0612 -15.0612 -13.8332 -13.8332 -13.1023 -13.1023 -12.9069 -12.9069 -12.7360 -12.7359 -12.6242 -12.6241 -4.8518 -4.8518 -1.9828 -1.9827 -1.3797 -1.3795 -0.5912 -0.5911 -0.3389 -0.3385 -0.2922 -0.2919 0.4226 0.4229 0.6760 0.6762 1.1060 1.1063 1.4360 1.4361 1.5753 1.5754 2.2591 2.2595 2.5214 2.5218 2.7009 2.7015 2.7980 2.7981 3.0960 3.0964 3.2860 3.2862 3.9379 3.9383 4.1047 4.1051 4.1731 4.1735 4.3839 4.3841 6.9930 6.9944 7.0331 7.0347 7.2376 7.2421 7.2865 7.2912 7.4358 7.4366 7.5756 7.5761 7.8100 7.8102 8.1428 8.1431 8.4780 8.4785 8.7671 8.7675 12.2105 12.2110 13.0431 13.0444 13.3265 13.3278 k = 0.0000-0.4093 0.2909 ( 4509 PWs) bands (ev): -16.2663 -16.2663 -15.0606 -15.0606 -13.8332 -13.8332 -13.1019 -13.1018 -12.9071 -12.9070 -12.7356 -12.7354 -12.6246 -12.6245 -4.8514 -4.8514 -1.9883 -1.9882 -1.3784 -1.3781 -0.5898 -0.5896 -0.3407 -0.3400 -0.2941 -0.2935 0.4204 0.4210 0.6774 0.6778 1.1143 1.1149 1.4360 1.4362 1.5741 1.5744 2.2578 2.2586 2.5217 2.5224 2.7021 2.7033 2.7973 2.7976 3.0949 3.0957 3.2880 3.2885 3.9379 3.9387 4.1041 4.1048 4.1722 4.1729 4.3847 4.3852 6.9931 6.9960 7.0337 7.0368 7.2354 7.2442 7.2853 7.2943 7.4356 7.4372 7.5743 7.5753 7.8095 7.8099 8.1412 8.1418 8.4763 8.4773 8.7635 8.7644 12.1913 12.1923 13.0450 13.0475 13.3350 13.3376 k = 0.0000-0.3979 0.2828 ( 4511 PWs) bands (ev): -16.2673 -16.2673 -15.0595 -15.0595 -13.8333 -13.8332 -13.1011 -13.1011 -12.9073 -12.9072 -12.7349 -12.7346 -12.6253 -12.6252 -4.8508 -4.8508 -1.9975 -1.9972 -1.3762 -1.3758 -0.5874 -0.5871 -0.3440 -0.3429 -0.2966 -0.2958 0.4169 0.4179 0.6795 0.6800 1.1281 1.1290 1.4359 1.4362 1.5723 1.5727 2.2558 2.2570 2.5222 2.5233 2.7042 2.7059 2.7964 2.7968 3.0933 3.0945 3.2914 3.2920 3.9379 3.9391 4.1031 4.1041 4.1708 4.1719 4.3863 4.3869 6.9938 6.9978 7.0354 7.0397 7.2334 7.2460 7.2849 7.2978 7.4356 7.4380 7.5723 7.5738 7.8088 7.8094 8.1387 8.1396 8.4735 8.4750 8.7578 8.7591 12.1606 12.1620 13.0477 13.0512 13.3495 13.3531 k = 0.0000-0.3866 0.2747 ( 4512 PWs) bands (ev): -16.2687 -16.2687 -15.0581 -15.0581 -13.8334 -13.8333 -13.1002 -13.1001 -12.9076 -12.9075 -12.7339 -12.7336 -12.6262 -12.6260 -4.8500 -4.8499 -2.0100 -2.0097 -1.3732 -1.3726 -0.5843 -0.5839 -0.3490 -0.3476 -0.2990 -0.2981 0.4123 0.4135 0.6819 0.6827 1.1472 1.1483 1.4358 1.4362 1.5700 1.5705 2.2531 2.2546 2.5229 2.5243 2.7067 2.7089 2.7957 2.7961 3.0913 3.0929 3.2960 3.2968 3.9378 3.9394 4.1021 4.1034 4.1690 4.1704 4.3884 4.3892 6.9948 6.9998 7.0383 7.0436 7.2316 7.2474 7.2853 7.3017 7.4357 7.4389 7.5695 7.5716 7.8079 7.8086 8.1351 8.1364 8.4697 8.4717 8.7500 8.7517 12.1199 12.1216 13.0504 13.0546 13.3693 13.3738 k = 0.0000-0.3752 0.2666 ( 4512 PWs) bands (ev): -16.2705 -16.2705 -15.0562 -15.0562 -13.8334 -13.8334 -13.0989 -13.0988 -12.9079 -12.9078 -12.7327 -12.7323 -12.6273 -12.6271 -4.8489 -4.8488 -2.0258 -2.0255 -1.3694 -1.3687 -0.5805 -0.5799 -0.3559 -0.3543 -0.3006 -0.2997 0.4066 0.4081 0.6844 0.6853 1.1712 1.1726 1.4356 1.4360 1.5674 1.5681 2.2497 2.2515 2.5237 2.5254 2.7089 2.7115 2.7958 2.7962 3.0892 3.0912 3.3017 3.3027 3.9377 3.9397 4.1010 4.1026 4.1669 4.1686 4.3912 4.3922 6.9960 7.0016 7.0427 7.0484 7.2300 7.2483 7.2868 7.3060 7.4359 7.4400 7.5661 7.5688 7.8067 7.8076 8.1307 8.1323 8.4649 8.4674 8.7402 8.7424 12.0708 12.0726 13.0524 13.0569 13.3936 13.3989 k = 0.0000-0.3638 0.2585 ( 4515 PWs) bands (ev): -16.2727 -16.2727 -15.0540 -15.0539 -13.8335 -13.8334 -13.0975 -13.0974 -12.9084 -12.9082 -12.7313 -12.7309 -12.6286 -12.6283 -4.8476 -4.8475 -2.0445 -2.0442 -1.3648 -1.3640 -0.5762 -0.5756 -0.3646 -0.3628 -0.3012 -0.3004 0.4001 0.4017 0.6865 0.6876 1.1996 1.2012 1.4352 1.4358 1.5649 1.5658 2.2455 2.2476 2.5245 2.5264 2.7102 2.7131 2.7973 2.7979 3.0872 3.0895 3.3084 3.3095 3.9375 3.9398 4.1001 4.1019 4.1645 4.1665 4.3947 4.3958 6.9973 7.0032 7.0484 7.0543 7.2287 7.2489 7.2891 7.3104 7.4362 7.4412 7.5620 7.5653 7.8054 7.8064 8.1254 8.1273 8.4591 8.4621 8.7287 8.7314 12.0146 12.0166 13.0530 13.0577 13.4214 13.4273 k = 0.0000-0.3524 0.2505 ( 4512 PWs) bands (ev): -16.2752 -16.2752 -15.0514 -15.0513 -13.8336 -13.8335 -13.0958 -13.0957 -12.9089 -12.9087 -12.7299 -12.7293 -12.6298 -12.6295 -4.8461 -4.8460 -2.0660 -2.0656 -1.3596 -1.3587 -0.5718 -0.5710 -0.3746 -0.3727 -0.3007 -0.2999 0.3927 0.3946 0.6881 0.6894 1.2317 1.2335 1.4347 1.4354 1.5630 1.5641 2.2406 2.2429 2.5250 2.5271 2.7098 2.7128 2.8006 2.8018 3.0854 3.0880 3.3159 3.3171 3.9371 3.9397 4.0996 4.1015 4.1620 4.1642 4.3987 4.4001 6.9986 7.0046 7.0554 7.0611 7.2277 7.2492 7.2922 7.3152 7.4366 7.4425 7.5574 7.5615 7.8039 7.8051 8.1193 8.1215 8.4522 8.4558 8.7156 8.7188 11.9526 11.9547 13.0521 13.0569 13.4512 13.4574 k = 0.0000-0.3411 0.2424 ( 4510 PWs) bands (ev): -16.2780 -16.2780 -15.0484 -15.0483 -13.8338 -13.8336 -13.0940 -13.0939 -12.9094 -12.9092 -12.7284 -12.7278 -12.6310 -12.6306 -4.8443 -4.8442 -2.0898 -2.0894 -1.3539 -1.3528 -0.5673 -0.5665 -0.3853 -0.3833 -0.2992 -0.2984 0.3847 0.3867 0.6889 0.6904 1.2663 1.2685 1.4339 1.4346 1.5624 1.5636 2.2349 2.2375 2.5251 2.5273 2.7074 2.7105 2.8064 2.8082 3.0841 3.0870 3.3241 3.3255 3.9365 3.9394 4.0994 4.1015 4.1595 4.1620 4.4033 4.4048 6.9999 7.0057 7.0635 7.0687 7.2270 7.2493 7.2957 7.3200 7.4370 7.4440 7.5521 7.5572 7.8023 7.8036 8.1123 8.1149 8.4444 8.4485 8.7012 8.7048 11.8860 11.8881 13.0496 13.0544 13.4816 13.4878 k = 0.0000-0.3297 0.2343 ( 4508 PWs) bands (ev): -16.2812 -16.2812 -15.0450 -15.0449 -13.8339 -13.8337 -13.0921 -13.0919 -12.9100 -12.9098 -12.7270 -12.7263 -12.6321 -12.6316 -4.8424 -4.8423 -2.1158 -2.1153 -1.3475 -1.3463 -0.5633 -0.5624 -0.3960 -0.3940 -0.2968 -0.2960 0.3761 0.3782 0.6888 0.6905 1.3022 1.3045 1.4327 1.4335 1.5641 1.5655 2.2285 2.2312 2.5244 2.5267 2.7031 2.7062 2.8145 2.8170 3.0834 3.0866 3.3330 3.3344 3.9356 3.9387 4.0996 4.1018 4.1572 4.1601 4.4085 4.4102 7.0012 7.0068 7.0723 7.0769 7.2266 7.2495 7.2996 7.3250 7.4374 7.4456 7.5464 7.5525 7.8006 7.8020 8.1047 8.1076 8.4355 8.4402 8.6857 8.6898 11.8156 11.8177 13.0458 13.0505 13.5112 13.5169 k = 0.0000-0.3183 0.2262 ( 4503 PWs) bands (ev): -16.2846 -16.2846 -15.0413 -15.0412 -13.8340 -13.8338 -13.0901 -13.0899 -12.9106 -12.9104 -12.7258 -12.7250 -12.6328 -12.6323 -4.8403 -4.8402 -2.1435 -2.1430 -1.3408 -1.3395 -0.5600 -0.5590 -0.4061 -0.4040 -0.2935 -0.2927 0.3670 0.3693 0.6878 0.6897 1.3371 1.3397 1.4312 1.4319 1.5697 1.5715 2.2213 2.2241 2.5227 2.5251 2.6974 2.7004 2.8246 2.8278 3.0836 3.0870 3.3423 3.3438 3.9345 3.9377 4.1001 4.1025 4.1556 4.1587 4.4142 4.4160 7.0026 7.0080 7.0816 7.0856 7.2265 7.2499 7.3036 7.3301 7.4376 7.4473 7.5402 7.5477 7.7989 7.8003 8.0964 8.0997 8.4256 8.4308 8.6694 8.6739 11.7423 11.7444 13.0406 13.0452 13.5388 13.5437 k = 0.0000-0.3070 0.2182 ( 4511 PWs) bands (ev): -16.2883 -16.2883 -15.0373 -15.0372 -13.8341 -13.8340 -13.0880 -13.0879 -12.9113 -12.9111 -12.7248 -12.7240 -12.6332 -12.6326 -4.8381 -4.8380 -2.1728 -2.1723 -1.3337 -1.3323 -0.5579 -0.5568 -0.4150 -0.4128 -0.2894 -0.2886 0.3574 0.3599 0.6857 0.6878 1.3687 1.3712 1.4295 1.4299 1.5814 1.5834 2.2133 2.2162 2.5196 2.5219 2.6909 2.6937 2.8363 2.8401 3.0847 3.0884 3.3520 3.3535 3.9332 3.9365 4.1008 4.1034 4.1548 4.1584 4.4203 4.4223 7.0040 7.0092 7.0909 7.0945 7.2267 7.2506 7.3075 7.3351 7.4376 7.4490 7.5337 7.5427 7.7971 7.7986 8.0876 8.0912 8.4147 8.4204 8.6525 8.6575 11.6667 11.6687 13.0343 13.0388 13.5635 13.5674 k = 0.0000-0.2956 0.2101 ( 4514 PWs) bands (ev): -16.2922 -16.2922 -15.0330 -15.0329 -13.8343 -13.8341 -13.0860 -13.0858 -12.9120 -12.9117 -12.7243 -12.7235 -12.6330 -12.6324 -4.8357 -4.8356 -2.2032 -2.2027 -1.3263 -1.3248 -0.5572 -0.5561 -0.4220 -0.4197 -0.2846 -0.2836 0.3476 0.3501 0.6826 0.6849 1.3937 1.3956 1.4277 1.4284 1.6014 1.6036 2.2046 2.2076 2.5148 2.5171 2.6842 2.6867 2.8491 2.8534 3.0870 3.0909 3.3620 3.3635 3.9318 3.9351 4.1014 4.1044 4.1553 4.1592 4.4269 4.4290 7.0056 7.0106 7.0998 7.1035 7.2274 7.2518 7.3113 7.3400 7.4372 7.4507 7.5269 7.5378 7.7954 7.7969 8.0782 8.0822 8.4027 8.4089 8.6354 8.6408 11.5893 11.5912 13.0269 13.0314 13.5851 13.5881 k = 0.0000-0.2842 0.2020 ( 4509 PWs) bands (ev): -16.2964 -16.2964 -15.0285 -15.0284 -13.8344 -13.8342 -13.0840 -13.0838 -12.9126 -12.9124 -12.7243 -12.7234 -12.6321 -12.6316 -4.8332 -4.8330 -2.2346 -2.2341 -1.3186 -1.3171 -0.5582 -0.5571 -0.4268 -0.4245 -0.2790 -0.2779 0.3375 0.3402 0.6785 0.6810 1.4078 1.4094 1.4277 1.4307 1.6305 1.6327 2.1952 2.1982 2.5082 2.5104 2.6777 2.6800 2.8627 2.8673 3.0904 3.0945 3.3722 3.3738 3.9303 3.9337 4.1019 4.1052 4.1574 4.1617 4.4338 4.4360 7.0073 7.0121 7.1082 7.1124 7.2286 7.2536 7.3148 7.3448 7.4363 7.4525 7.5202 7.5333 7.7938 7.7952 8.0684 8.0728 8.3898 8.3964 8.6184 8.6242 11.5106 11.5125 13.0188 13.0231 13.6037 13.6064 k = 0.0000-0.2729 0.1939 ( 4510 PWs) bands (ev): -16.3007 -16.3007 -15.0237 -15.0236 -13.8345 -13.8343 -13.0822 -13.0819 -12.9133 -12.9130 -12.7248 -12.7240 -12.6306 -12.6300 -4.8305 -4.8304 -2.2667 -2.2662 -1.3109 -1.3092 -0.5609 -0.5598 -0.4292 -0.4270 -0.2727 -0.2716 0.3272 0.3300 0.6733 0.6760 1.4089 1.4114 1.4335 1.4375 1.6675 1.6695 2.1852 2.1882 2.4996 2.5019 2.6718 2.6738 2.8766 2.8816 3.0951 3.0993 3.3825 3.3841 3.9289 3.9322 4.1023 4.1058 4.1613 4.1657 4.4410 4.4434 7.0093 7.0139 7.1157 7.1209 7.2303 7.2560 7.3179 7.3492 7.4349 7.4540 7.5135 7.5292 7.7923 7.7937 8.0583 8.0631 8.3758 8.3828 8.6017 8.6078 11.4311 11.4329 13.0100 13.0142 13.6197 13.6230 k = 0.0000-0.2615 0.1858 ( 4507 PWs) bands (ev): -16.3051 -16.3051 -15.0187 -15.0186 -13.8347 -13.8344 -13.0804 -13.0802 -12.9139 -12.9136 -12.7260 -12.7251 -12.6283 -12.6277 -4.8278 -4.8277 -2.2991 -2.2986 -1.3030 -1.3013 -0.5652 -0.5641 -0.4293 -0.4272 -0.2657 -0.2645 0.3169 0.3197 0.6671 0.6700 1.4051 1.4075 1.4400 1.4437 1.7099 1.7115 2.1745 2.1775 2.4894 2.4918 2.6665 2.6684 2.8908 2.8959 3.1010 3.1052 3.3928 3.3945 3.9276 3.9309 4.1026 4.1063 4.1670 4.1714 4.4485 4.4510 7.0115 7.0160 7.1223 7.1288 7.2325 7.2591 7.3205 7.3533 7.4328 7.4553 7.5072 7.5257 7.7910 7.7924 8.0479 8.0531 8.3608 8.3681 8.5856 8.5919 11.3511 11.3529 13.0006 13.0048 13.6341 13.6382 k = 0.0000-0.2501 0.1778 ( 4505 PWs) bands (ev): -16.3097 -16.3097 -15.0135 -15.0134 -13.8348 -13.8346 -13.0789 -13.0787 -12.9145 -12.9142 -12.7276 -12.7268 -12.6253 -12.6247 -4.8250 -4.8249 -2.3317 -2.3312 -1.2952 -1.2934 -0.5706 -0.5695 -0.4275 -0.4254 -0.2581 -0.2569 0.3065 0.3094 0.6599 0.6630 1.3996 1.4019 1.4447 1.4480 1.7549 1.7564 2.1634 2.1663 2.4781 2.4805 2.6619 2.6637 2.9050 2.9103 3.1080 3.1123 3.4032 3.4049 3.9265 3.9297 4.1032 4.1069 4.1742 4.1786 4.4562 4.4588 7.0140 7.0183 7.1279 7.1357 7.2353 7.2628 7.3224 7.3569 7.4300 7.4558 7.5018 7.5229 7.7899 7.7913 8.0374 8.0430 8.3449 8.3525 8.5702 8.5767 11.2711 11.2728 12.9907 12.9948 13.6475 13.6524 k = 0.0000-0.2388 0.1697 ( 4504 PWs) bands (ev): -16.3143 -16.3143 -15.0082 -15.0081 -13.8349 -13.8347 -13.0776 -13.0773 -12.9150 -12.9147 -12.7297 -12.7289 -12.6216 -12.6211 -4.8222 -4.8220 -2.3642 -2.3637 -1.2875 -1.2856 -0.5766 -0.5756 -0.4240 -0.4220 -0.2500 -0.2487 0.2961 0.2992 0.6518 0.6551 1.3934 1.3956 1.4479 1.4508 1.8007 1.8019 2.1517 2.1546 2.4662 2.4689 2.6579 2.6596 2.9191 2.9244 3.1161 3.1204 3.4135 3.4152 3.9257 3.9288 4.1042 4.1079 4.1827 4.1871 4.4639 4.4667 7.0168 7.0208 7.1326 7.1415 7.2385 7.2671 7.3234 7.3597 7.4266 7.4552 7.4978 7.5210 7.7890 7.7905 8.0268 8.0328 8.3282 8.3359 8.5558 8.5623 11.1914 11.1931 12.9806 12.9846 13.6602 13.6658 k = 0.0000-0.2274 0.1616 ( 4504 PWs) bands (ev): -16.3190 -16.3190 -15.0028 -15.0026 -13.8350 -13.8348 -13.0765 -13.0763 -12.9154 -12.9151 -12.7323 -12.7315 -12.6174 -12.6169 -4.8193 -4.8192 -2.3964 -2.3960 -1.2798 -1.2780 -0.5830 -0.5820 -0.4192 -0.4173 -0.2415 -0.2401 0.2858 0.2890 0.6428 0.6463 1.3868 1.3890 1.4500 1.4526 1.8453 1.8464 2.1398 2.1426 2.4547 2.4576 2.6542 2.6560 2.9329 2.9382 3.1251 3.1293 3.4236 3.4254 3.9252 3.9282 4.1058 4.1095 4.1924 4.1968 4.4717 4.4746 7.0198 7.0237 7.1363 7.1463 7.2421 7.2717 7.3236 7.3617 7.4227 7.4532 7.4955 7.5199 7.7885 7.7900 8.0162 8.0226 8.3108 8.3185 8.5424 8.5489 11.1123 11.1139 12.9702 12.9742 13.6727 13.6788 k = 0.0000-0.2160 0.1535 ( 4503 PWs) bands (ev): -16.3237 -16.3237 -14.9972 -14.9971 -13.8351 -13.8349 -13.0757 -13.0755 -12.9158 -12.9155 -12.7351 -12.7344 -12.6127 -12.6123 -4.8164 -4.8163 -2.4282 -2.4277 -1.2724 -1.2705 -0.5894 -0.5884 -0.4135 -0.4116 -0.2325 -0.2311 0.2757 0.2789 0.6330 0.6366 1.3801 1.3823 1.4515 1.4538 1.8872 1.8881 2.1276 2.1303 2.4448 2.4479 2.6507 2.6525 2.9465 2.9517 3.1348 3.1389 3.4335 3.4353 3.9251 3.9280 4.1081 4.1119 4.2031 4.2074 4.4795 4.4825 7.0231 7.0267 7.1392 7.1500 7.2461 7.2767 7.3228 7.3626 7.4187 7.4497 7.4951 7.5196 7.7882 7.7900 8.0058 8.0126 8.2930 8.3006 8.5301 8.5366 11.0342 11.0357 12.9598 12.9636 13.6849 13.6914 k = 0.0000-0.2046 0.1454 ( 4502 PWs) bands (ev): -16.3284 -16.3283 -14.9917 -14.9916 -13.8352 -13.8350 -13.0753 -13.0750 -12.9160 -12.9157 -12.7382 -12.7375 -12.6077 -12.6073 -4.8135 -4.8134 -2.4592 -2.4588 -1.2653 -1.2633 -0.5955 -0.5944 -0.4069 -0.4051 -0.2233 -0.2218 0.2658 0.2691 0.6224 0.6263 1.3735 1.3756 1.4524 1.4546 1.9248 1.9256 2.1152 2.1180 2.4375 2.4410 2.6472 2.6490 2.9598 2.9648 3.1451 3.1491 3.4432 3.4450 3.9253 3.9282 4.1113 4.1150 4.2146 4.2190 4.4872 4.4904 7.0267 7.0301 7.1413 7.1528 7.2500 7.2817 7.3209 7.3623 7.4148 7.4452 7.4961 7.5199 7.7883 7.7904 7.9955 8.0027 8.2748 8.2822 8.5190 8.5253 10.9573 10.9588 12.9493 12.9531 13.6969 13.7038 k = 0.0000-0.1933 0.1374 ( 4503 PWs) bands (ev): -16.3330 -16.3330 -14.9861 -14.9860 -13.8353 -13.8351 -13.0751 -13.0748 -12.9161 -12.9158 -12.7414 -12.7407 -12.6024 -12.6020 -4.8107 -4.8106 -2.4895 -2.4891 -1.2584 -1.2565 -0.6012 -0.6001 -0.3998 -0.3980 -0.2139 -0.2124 0.2562 0.2595 0.6112 0.6152 1.3670 1.3691 1.4530 1.4550 1.9566 1.9572 2.1030 2.1057 2.4342 2.4380 2.6437 2.6455 2.9727 2.9776 3.1557 3.1595 3.4526 3.4544 3.9260 3.9289 4.1152 4.1190 4.2268 4.2313 4.4947 4.4980 7.0304 7.0337 7.1428 7.1548 7.2538 7.2867 7.3178 7.3607 7.4112 7.4401 7.4982 7.5208 7.7888 7.7913 7.9854 7.9930 8.2564 8.2636 8.5090 8.5150 10.8821 10.8835 12.9389 12.9426 13.7087 13.7158 k = 0.0000-0.1819 0.1293 ( 4499 PWs) bands (ev): -16.3375 -16.3375 -14.9806 -14.9805 -13.8354 -13.8352 -13.0752 -13.0749 -12.9162 -12.9159 -12.7446 -12.7440 -12.5969 -12.5966 -4.8079 -4.8078 -2.5187 -2.5184 -1.2518 -1.2499 -0.6063 -0.6052 -0.3922 -0.3904 -0.2044 -0.2028 0.2469 0.2503 0.5995 0.6037 1.3607 1.3628 1.4533 1.4552 1.9812 1.9817 2.0910 2.0938 2.4359 2.4400 2.6402 2.6420 2.9853 2.9899 3.1665 3.1700 3.4617 3.4635 3.9272 3.9300 4.1200 4.1239 4.2396 4.2442 4.5021 4.5055 7.0344 7.0375 7.1437 7.1561 7.2571 7.2914 7.3137 7.3578 7.4081 7.4349 7.5010 7.5220 7.7897 7.7926 7.9757 7.9837 8.2381 8.2450 8.5001 8.5059 10.8088 10.8101 12.9287 12.9322 13.7203 13.7276 k = 0.0000-0.1705 0.1212 ( 4496 PWs) bands (ev): -16.3420 -16.3419 -14.9751 -14.9750 -13.8355 -13.8353 -13.0756 -13.0754 -12.9161 -12.9158 -12.7479 -12.7473 -12.5913 -12.5911 -4.8052 -4.8050 -2.5468 -2.5465 -1.2456 -1.2438 -0.6109 -0.6097 -0.3842 -0.3825 -0.1949 -0.1932 0.2379 0.2414 0.5874 0.5917 1.3547 1.3568 1.4533 1.4551 1.9977 1.9983 2.0796 2.0824 2.4431 2.4477 2.6366 2.6384 2.9976 3.0019 3.1772 3.1805 3.4704 3.4721 3.9289 3.9316 4.1256 4.1295 4.2529 4.2576 4.5091 4.5126 7.0386 7.0415 7.1443 7.1569 7.2598 7.2958 7.3086 7.3541 7.4055 7.4297 7.5041 7.5235 7.7910 7.7944 7.9664 7.9747 8.2201 8.2267 8.4922 8.4977 10.7377 10.7390 12.9187 12.9221 13.7316 13.7390 k = 0.0000-0.1592 0.1131 ( 4499 PWs) bands (ev): -16.3463 -16.3462 -14.9698 -14.9697 -13.8355 -13.8353 -13.0763 -13.0761 -12.9159 -12.9156 -12.7510 -12.7505 -12.5858 -12.5855 -4.8025 -4.8024 -2.5737 -2.5734 -1.2398 -1.2380 -0.6148 -0.6137 -0.3761 -0.3744 -0.1855 -0.1837 0.2294 0.2329 0.5750 0.5794 1.3491 1.3511 1.4532 1.4548 2.0060 2.0069 2.0687 2.0718 2.4557 2.4606 2.6332 2.6350 3.0094 3.0135 3.1876 3.1908 3.4786 3.4803 3.9310 3.9337 4.1317 4.1357 4.2666 4.2715 4.5158 4.5194 7.0430 7.0458 7.1445 7.1574 7.2615 7.2986 7.3038 7.3498 7.4031 7.4247 7.5074 7.5252 7.7927 7.7965 7.9575 7.9661 8.2025 8.2087 8.4853 8.4904 10.6692 10.6704 12.9090 12.9123 13.7426 13.7500 k = 0.0000-0.1478 0.1050 ( 4505 PWs) bands (ev): -16.3504 -16.3504 -14.9646 -14.9645 -13.8356 -13.8354 -13.0773 -13.0770 -12.9157 -12.9154 -12.7541 -12.7536 -12.5803 -12.5801 -4.8000 -4.7999 -2.5992 -2.5989 -1.2345 -1.2327 -0.6181 -0.6169 -0.3678 -0.3661 -0.1763 -0.1743 0.2214 0.2249 0.5626 0.5670 1.3438 1.3458 1.4528 1.4544 2.0073 2.0085 2.0585 2.0617 2.4726 2.4777 2.6301 2.6321 3.0208 3.0246 3.1978 3.2007 3.4864 3.4880 3.9336 3.9362 4.1383 4.1423 4.2805 4.2856 4.5220 4.5257 7.0474 7.0502 7.1444 7.1576 7.2620 7.2940 7.3051 7.3455 7.4009 7.4200 7.5106 7.5269 7.7947 7.7991 7.9491 7.9578 8.1856 8.1913 8.4793 8.4841 10.6036 10.6047 12.8997 12.9029 13.7531 13.7604 k = 0.0000-0.1364 0.0970 ( 4503 PWs) bands (ev): -16.3543 -16.3543 -14.9596 -14.9595 -13.8357 -13.8355 -13.0784 -13.0782 -12.9153 -12.9150 -12.7570 -12.7565 -12.5749 -12.5748 -4.7975 -4.7974 -2.6232 -2.6229 -1.2295 -1.2278 -0.6207 -0.6196 -0.3595 -0.3578 -0.1673 -0.1653 0.2138 0.2173 0.5501 0.5546 1.3389 1.3409 1.4524 1.4538 2.0035 2.0048 2.0485 2.0517 2.4920 2.4974 2.6279 2.6301 3.0317 3.0353 3.2074 3.2101 3.4937 3.4953 3.9366 3.9391 4.1452 4.1493 4.2947 4.2999 4.5279 4.5316 7.0519 7.0548 7.1442 7.1576 7.2612 7.2864 7.3083 7.3416 7.3987 7.4156 7.5137 7.5285 7.7973 7.8020 7.9411 7.9500 8.1695 8.1747 8.4741 8.4786 10.5412 10.5423 12.8908 12.8938 13.7630 13.7703 k = 0.0000-0.1251 0.0889 ( 4500 PWs) bands (ev): -16.3580 -16.3580 -14.9548 -14.9547 -13.8357 -13.8356 -13.0797 -13.0795 -12.9149 -12.9146 -12.7597 -12.7593 -12.5698 -12.5697 -4.7952 -4.7951 -2.6456 -2.6453 -1.2249 -1.2234 -0.6228 -0.6217 -0.3513 -0.3496 -0.1587 -0.1566 0.2069 0.2103 0.5380 0.5424 1.3344 1.3364 1.4517 1.4531 1.9965 1.9978 2.0383 2.0414 2.5117 2.5174 2.6273 2.6299 3.0421 3.0454 3.2164 3.2189 3.5005 3.5020 3.9399 3.9424 4.1523 4.1564 4.3089 4.3143 4.5332 4.5369 7.0565 7.0596 7.1440 7.1577 7.2589 7.2781 7.3114 7.3384 7.3964 7.4114 7.5166 7.5299 7.8001 7.8052 7.9337 7.9426 8.1543 8.1591 8.4698 8.4739 10.4823 10.4833 12.8825 12.8853 13.7724 13.7795 k = 0.0000-0.1137 0.0808 ( 4500 PWs) bands (ev): -16.3615 -16.3615 -14.9503 -14.9502 -13.8358 -13.8356 -13.0812 -13.0809 -12.9145 -12.9142 -12.7622 -12.7619 -12.5649 -12.5648 -4.7931 -4.7930 -2.6663 -2.6661 -1.2208 -1.2193 -0.6243 -0.6233 -0.3433 -0.3416 -0.1506 -0.1484 0.2005 0.2039 0.5261 0.5305 1.3303 1.3322 1.4510 1.4523 1.9878 1.9890 2.0278 2.0308 2.5295 2.5353 2.6296 2.6324 3.0519 3.0549 3.2248 3.2271 3.5068 3.5081 3.9436 3.9459 4.1594 4.1634 4.3231 4.3285 4.5379 4.5417 7.0610 7.0645 7.1438 7.1578 7.2551 7.2693 7.3141 7.3360 7.3940 7.4074 7.5193 7.5312 7.8033 7.8087 7.9268 7.9356 8.1403 8.1446 8.4661 8.4699 10.4273 10.4282 12.8746 12.8773 13.7809 13.7878 k = 0.0000-0.1023 0.0727 ( 4505 PWs) bands (ev): -16.3647 -16.3647 -14.9461 -14.9460 -13.8358 -13.8357 -13.0827 -13.0825 -12.9140 -12.9138 -12.7645 -12.7642 -12.5603 -12.5602 -4.7911 -4.7910 -2.6853 -2.6851 -1.2171 -1.2158 -0.6254 -0.6244 -0.3356 -0.3340 -0.1430 -0.1408 0.1948 0.1981 0.5149 0.5192 1.3267 1.3284 1.4502 1.4515 1.9784 1.9795 2.0173 2.0200 2.5431 2.5487 2.6362 2.6390 3.0610 3.0638 3.2325 3.2346 3.5124 3.5137 3.9474 3.9496 4.1664 4.1703 4.3370 4.3423 4.5421 4.5458 7.0655 7.0694 7.1437 7.1580 7.2500 7.2604 7.3166 7.3345 7.3914 7.4036 7.5215 7.5322 7.8068 7.8124 7.9203 7.9289 8.1274 8.1312 8.4630 8.4664 10.3764 10.3773 12.8674 12.8698 13.7887 13.7953 k = 0.0000-0.0910 0.0646 ( 4505 PWs) bands (ev): -16.3676 -16.3676 -14.9423 -14.9422 -13.8359 -13.8357 -13.0842 -13.0840 -12.9135 -12.9133 -12.7666 -12.7663 -12.5561 -12.5560 -4.7893 -4.7892 -2.7024 -2.7022 -1.2139 -1.2126 -0.6261 -0.6252 -0.3284 -0.3268 -0.1361 -0.1339 0.1897 0.1929 0.5044 0.5085 1.3234 1.3250 1.4494 1.4505 1.9690 1.9700 2.0069 2.0093 2.5515 2.5564 2.6474 2.6497 3.0694 3.0719 3.2395 3.2413 3.5176 3.5186 3.9513 3.9534 4.1730 4.1767 4.3504 4.3557 4.5457 4.5493 7.0698 7.0742 7.1438 7.1585 7.2438 7.2514 7.3189 7.3338 7.3890 7.4001 7.5235 7.5329 7.8106 7.8162 7.9142 7.9226 8.1158 8.1191 8.4606 8.4636 10.3300 10.3307 12.8608 12.8630 13.7956 13.8018 k = 0.0000-0.0796 0.0566 ( 4508 PWs) bands (ev): -16.3702 -16.3702 -14.9388 -14.9387 -13.8359 -13.8358 -13.0856 -13.0855 -12.9131 -12.9129 -12.7684 -12.7682 -12.5523 -12.5522 -4.7877 -4.7876 -2.7177 -2.7175 -1.2110 -1.2099 -0.6264 -0.6256 -0.3217 -0.3202 -0.1298 -0.1277 0.1854 0.1884 0.4947 0.4985 1.3205 1.3220 1.4486 1.4496 1.9599 1.9608 1.9971 1.9992 2.5556 2.5596 2.6616 2.6633 3.0771 3.0792 3.2456 3.2473 3.5221 3.5230 3.9552 3.9571 4.1792 4.1827 4.3632 4.3682 4.5487 4.5522 7.0740 7.0787 7.1442 7.1592 7.2366 7.2428 7.3211 7.3336 7.3865 7.3967 7.5252 7.5333 7.8145 7.8201 7.9087 7.9167 8.1056 8.1084 8.4586 8.4612 10.2883 10.2890 12.8549 12.8569 13.8016 13.8073 k = 0.0000-0.0682 0.0485 ( 4508 PWs) bands (ev): -16.3725 -16.3725 -14.9357 -14.9356 -13.8359 -13.8358 -13.0870 -13.0869 -12.9126 -12.9125 -12.7700 -12.7698 -12.5489 -12.5489 -4.7862 -4.7862 -2.7310 -2.7309 -1.2085 -1.2075 -0.6265 -0.6258 -0.3156 -0.3142 -0.1243 -0.1223 0.1817 0.1844 0.4861 0.4896 1.3180 1.3194 1.4478 1.4487 1.9516 1.9523 1.9881 1.9900 2.5569 2.5600 2.6767 2.6780 3.0838 3.0857 3.2510 3.2524 3.5260 3.5268 3.9589 3.9605 4.1849 4.1880 4.3752 4.3798 4.5512 4.5544 7.0780 7.0829 7.1451 7.1602 7.2288 7.2346 7.3230 7.3337 7.3842 7.3935 7.5265 7.5335 7.8185 7.8239 7.9036 7.9110 8.0967 8.0991 8.4570 8.4593 10.2516 10.2521 12.8497 12.8514 13.8067 13.8119 k = 0.0000-0.0568 0.0404 ( 4508 PWs) bands (ev): -16.3745 -16.3745 -14.9330 -14.9330 -13.8359 -13.8359 -13.0882 -13.0881 -12.9122 -12.9121 -12.7713 -12.7712 -12.5460 -12.5459 -4.7850 -4.7850 -2.7424 -2.7423 -1.2064 -1.2056 -0.6264 -0.6258 -0.3103 -0.3091 -0.1196 -0.1178 0.1787 0.1812 0.4786 0.4817 1.3159 1.3171 1.4470 1.4478 1.9441 1.9447 1.9803 1.9818 2.5566 2.5590 2.6911 2.6920 3.0897 3.0913 3.2556 3.2568 3.5294 3.5300 3.9623 3.9637 4.1899 4.1926 4.3860 4.3902 4.5531 4.5560 7.0818 7.0866 7.1466 7.1616 7.2208 7.2268 7.3249 7.3339 7.3823 7.3905 7.5276 7.5334 7.8226 7.8276 7.8990 7.9057 8.0893 8.0912 8.4559 8.4578 10.2201 10.2206 12.8453 12.8468 13.8109 13.8154 k = 0.0000-0.0455 0.0323 ( 4510 PWs) bands (ev): -16.3761 -16.3761 -14.9308 -14.9308 -13.8360 -13.8359 -13.0893 -13.0892 -12.9119 -12.9118 -12.7724 -12.7723 -12.5436 -12.5435 -4.7840 -4.7840 -2.7517 -2.7516 -1.2047 -1.2040 -0.6262 -0.6257 -0.3058 -0.3047 -0.1157 -0.1141 0.1764 0.1785 0.4724 0.4750 1.3143 1.3152 1.4464 1.4470 1.9377 1.9382 1.9736 1.9749 2.5557 2.5575 2.7038 2.7043 3.0946 3.0959 3.2593 3.2603 3.5321 3.5327 3.9653 3.9665 4.1942 4.1964 4.3954 4.3990 4.5546 4.5571 7.0851 7.0896 7.1488 7.1631 7.2132 7.2195 7.3266 7.3340 7.3807 7.3877 7.5285 7.5332 7.8265 7.8309 7.8950 7.9009 8.0832 8.0847 8.4551 8.4566 10.1940 10.1944 12.8417 12.8428 13.8143 13.8180 k = 0.0000-0.0341 0.0242 ( 4515 PWs) bands (ev): -16.3774 -16.3774 -14.9291 -14.9290 -13.8360 -13.8359 -13.0902 -13.0901 -12.9116 -12.9115 -12.7733 -12.7732 -12.5417 -12.5416 -4.7832 -4.7832 -2.7590 -2.7590 -1.2034 -1.2029 -0.6260 -0.6256 -0.3021 -0.3013 -0.1126 -0.1113 0.1747 0.1763 0.4675 0.4695 1.3130 1.3137 1.4459 1.4464 1.9326 1.9330 1.9684 1.9694 2.5547 2.5560 2.7140 2.7144 3.0985 3.0995 3.2622 3.2630 3.5343 3.5347 3.9678 3.9687 4.1976 4.1993 4.4032 4.4061 4.5557 4.5577 7.0880 7.0918 7.1518 7.1645 7.2064 7.2127 7.3282 7.3340 7.3796 7.3852 7.5293 7.5328 7.8300 7.8338 7.8917 7.8965 8.0786 8.0797 8.4545 8.4556 10.1735 10.1739 12.8388 12.8397 13.8169 13.8198 k = 0.0000-0.0227 0.0162 ( 4508 PWs) bands (ev): -16.3783 -16.3783 -14.9278 -14.9278 -13.8360 -13.8359 -13.0908 -13.0908 -12.9114 -12.9113 -12.7739 -12.7738 -12.5403 -12.5403 -4.7826 -4.7826 -2.7643 -2.7642 -1.2024 -1.2021 -0.6258 -0.6255 -0.2995 -0.2989 -0.1103 -0.1094 0.1737 0.1748 0.4641 0.4655 1.3121 1.3126 1.4455 1.4459 1.9289 1.9292 1.9647 1.9653 2.5538 2.5547 2.7216 2.7218 3.1014 3.1021 3.2644 3.2649 3.5358 3.5361 3.9696 3.9703 4.2002 4.2014 4.4092 4.4112 4.5565 4.5579 7.0903 7.0931 7.1554 7.1654 7.2013 7.2068 7.3298 7.3338 7.3791 7.3830 7.5300 7.5323 7.8332 7.8359 7.8894 7.8929 8.0753 8.0761 8.4542 8.4550 10.1588 10.1591 12.8369 12.8375 13.8189 13.8209 k = 0.0000-0.0114 0.0081 ( 4507 PWs) bands (ev): -16.3789 -16.3789 -14.9270 -14.9270 -13.8360 -13.8360 -13.0912 -13.0912 -12.9113 -12.9112 -12.7742 -12.7742 -12.5394 -12.5394 -4.7823 -4.7823 -2.7674 -2.7674 -1.2018 -1.2016 -0.6256 -0.6254 -0.2978 -0.2975 -0.1088 -0.1084 0.1731 0.1737 0.4622 0.4629 1.3116 1.3119 1.4453 1.4455 1.9267 1.9269 1.9625 1.9628 2.5533 2.5537 2.7262 2.7263 3.1032 3.1035 3.2657 3.2660 3.5368 3.5369 3.9709 3.9712 4.2019 4.2025 4.4131 4.4141 4.5571 4.5578 7.0921 7.0936 7.1592 7.1649 7.1987 7.2021 7.3312 7.3332 7.3793 7.3813 7.5306 7.5318 7.8355 7.8370 7.8883 7.8901 8.0735 8.0738 8.4541 8.4545 10.1500 10.1501 12.8357 12.8360 13.8202 13.8212 k = 0.0000 0.0000 0.0000 ( 4509 PWs) bands (ev): -16.3791 -16.3791 -14.9268 -14.9268 -13.8360 -13.8360 -13.0913 -13.0913 -12.9112 -12.9112 -12.7743 -12.7743 -12.5392 -12.5392 -4.7822 -4.7822 -2.7684 -2.7684 -1.2015 -1.2015 -0.6255 -0.6255 -0.2971 -0.2971 -0.1082 -0.1082 0.1732 0.1732 0.4618 0.4618 1.3116 1.3116 1.4453 1.4453 1.9260 1.9260 1.9618 1.9618 2.5533 2.5533 2.7278 2.7278 3.1039 3.1039 3.2662 3.2662 3.5371 3.5371 3.9714 3.9714 4.2027 4.2027 4.4147 4.4147 4.5575 4.5575 7.0932 7.0932 7.1626 7.1626 7.1991 7.1991 7.3323 7.3323 7.3799 7.3799 7.5312 7.5312 7.8368 7.8368 7.8885 7.8885 8.0730 8.0730 8.4542 8.4542 10.1471 10.1471 12.8354 12.8354 13.8210 13.8210 Writing output data file Fe2P2O7.save init_run : 3.66s CPU 13.45s WALL ( 1 calls) electrons : 1854.47s CPU 1866.11s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.54s CPU 2.14s WALL ( 1 calls) Called by electrons: c_bands : 1854.42s CPU 1865.75s WALL ( 1 calls) v_of_rho : 0.10s CPU 0.97s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.10s CPU 0.63s WALL ( 1 calls) newd : 0.41s CPU 0.68s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.09s WALL ( 283 calls) cegterg : 1668.44s CPU 1675.92s WALL ( 873 calls) Called by sum_band: Called by *egterg: h_psi : 473.42s CPU 483.78s WALL ( 15984 calls) s_psi : 81.51s CPU 81.72s WALL ( 15984 calls) g_psi : 1.31s CPU 1.28s WALL ( 14828 calls) cdiaghg : 866.91s CPU 864.40s WALL ( 15111 calls) cegterg:over : 138.14s CPU 134.35s WALL ( 14828 calls) cegterg:upda : 36.53s CPU 40.06s WALL ( 14828 calls) cegterg:last : 26.13s CPU 26.72s WALL ( 2032 calls) Called by h_psi: h_psi:vloc : 310.46s CPU 318.28s WALL ( 15984 calls) h_psi:vnl : 162.45s CPU 164.28s WALL ( 15984 calls) add_vuspsi : 60.71s CPU 65.24s WALL ( 15984 calls) General routines calbec : 101.67s CPU 98.91s WALL ( 15984 calls) fft : 0.57s CPU 1.64s WALL ( 19 calls) ffts : 0.02s CPU 0.55s WALL ( 4 calls) fftw : 293.55s CPU 298.76s WALL ( 2036152 calls) interpolate : 0.11s CPU 0.65s WALL ( 4 calls) davcio : 0.03s CPU 3.97s WALL ( 566 calls) Parallel routines fft_scatter : 204.62s CPU 205.50s WALL ( 2036175 calls) PWSCF : 32m43.00s CPU 40m30.86s WALL This run was terminated on: 5:36:19 5Dec2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=