Program PWSCF v.5.1.1 starts on 5Dec2015 at 8: 2:39 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: ./Al6C3N2.save/ 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 84 44 13 1713 665 112 Max 85 45 14 1715 681 114 Sum 4037 2151 665 82243 32369 5423 bravais-lattice index = 14 lattice parameter (alat) = 25.4546 a.u. unit-cell volume = 822.4664 (a.u.)^3 number of atoms/cell = 11 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 25.454609 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.970926 celldm(5)= 0.970926 celldm(6)= 0.970926 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.970926 0.239381 0.000000 ) a(3) = ( 0.970926 0.117925 0.208319 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -4.055988 -2.364756 ) b(2) = ( 0.000000 4.177444 -2.364756 ) b(3) = ( 0.000000 0.000000 4.800323 ) PseudoPot. # 1 for Al read from file: /home/autes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for C read from file: /home/autes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Al 3.00 26.98150 Al( 1.00) C 4.00 12.01070 C( 1.00) N 5.00 14.00670 N( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 339 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 2) = ( 0.0089286 -0.0362142 -0.0211139), wk = 0.0029499 k( 3) = ( 0.0178571 -0.0724283 -0.0422278), wk = 0.0029499 k( 4) = ( 0.0267857 -0.1086425 -0.0633417), wk = 0.0029499 k( 5) = ( 0.0357143 -0.1448567 -0.0844556), wk = 0.0029499 k( 6) = ( 0.0446429 -0.1810709 -0.1055695), wk = 0.0029499 k( 7) = ( 0.0535714 -0.2172851 -0.1266833), wk = 0.0029499 k( 8) = ( 0.0625000 -0.2534992 -0.1477972), wk = 0.0029499 k( 9) = ( 0.0714286 -0.2897134 -0.1689111), wk = 0.0029499 k( 10) = ( 0.0803571 -0.3259276 -0.1900250), wk = 0.0029499 k( 11) = ( 0.0892857 -0.3621417 -0.2111389), wk = 0.0029499 k( 12) = ( 0.0982143 -0.3983560 -0.2322528), wk = 0.0029499 k( 13) = ( 0.1071429 -0.4345701 -0.2533667), wk = 0.0029499 k( 14) = ( 0.1160714 -0.4707843 -0.2744806), wk = 0.0029499 k( 15) = ( 0.1250000 -0.5069985 -0.2955944), wk = 0.0029499 k( 16) = ( 0.1339286 -0.5432126 -0.3167083), wk = 0.0029499 k( 17) = ( 0.1428571 -0.5794268 -0.3378222), wk = 0.0029499 k( 18) = ( 0.1517857 -0.6156410 -0.3589361), wk = 0.0029499 k( 19) = ( 0.1607143 -0.6518552 -0.3800500), wk = 0.0029499 k( 20) = ( 0.1696429 -0.6880694 -0.4011639), wk = 0.0029499 k( 21) = ( 0.1785714 -0.7242835 -0.4222778), wk = 0.0029499 k( 22) = ( 0.1875000 -0.7604977 -0.4433917), wk = 0.0029499 k( 23) = ( 0.1964286 -0.7967119 -0.4645056), wk = 0.0029499 k( 24) = ( 0.2053571 -0.8329260 -0.4856194), wk = 0.0029499 k( 25) = ( 0.2142857 -0.8691402 -0.5067333), wk = 0.0029499 k( 26) = ( 0.2232143 -0.9053544 -0.5278472), wk = 0.0029499 k( 27) = ( 0.2321429 -0.9415686 -0.5489611), wk = 0.0029499 k( 28) = ( 0.2410714 -0.9777828 -0.5700750), wk = 0.0029499 k( 29) = ( 0.2500000 -1.0139969 -0.5911889), wk = 0.0029499 k( 30) = ( 0.2589286 -1.0502111 -0.6123028), wk = 0.0029499 k( 31) = ( 0.2678571 -1.0864253 -0.6334167), wk = 0.0029499 k( 32) = ( 0.2767857 -1.1226394 -0.6545305), wk = 0.0029499 k( 33) = ( 0.2857143 -1.1588536 -0.6756445), wk = 0.0029499 k( 34) = ( 0.2946429 -1.1950678 -0.6967583), wk = 0.0029499 k( 35) = ( 0.3035714 -1.2312820 -0.7178722), wk = 0.0029499 k( 36) = ( 0.3125000 -1.2674962 -0.7389861), wk = 0.0029499 k( 37) = ( 0.3214286 -1.3037103 -0.7601000), wk = 0.0029499 k( 38) = ( 0.3303571 -1.3399245 -0.7812139), wk = 0.0029499 k( 39) = ( 0.3392857 -1.3761387 -0.8023278), wk = 0.0029499 k( 40) = ( 0.3482143 -1.4123529 -0.8234417), wk = 0.0029499 k( 41) = ( 0.3571429 -1.4485671 -0.8445556), wk = 0.0029499 k( 42) = ( 0.3660714 -1.4847812 -0.8656695), wk = 0.0029499 k( 43) = ( 0.3750000 -1.5209954 -0.8867833), wk = 0.0029499 k( 44) = ( 0.3839286 -1.5572096 -0.9078972), wk = 0.0029499 k( 45) = ( 0.3928571 -1.5934237 -0.9290111), wk = 0.0029499 k( 46) = ( 0.4017857 -1.6296379 -0.9501250), wk = 0.0029499 k( 47) = ( 0.4107143 -1.6658521 -0.9712389), wk = 0.0029499 k( 48) = ( 0.4196429 -1.7020663 -0.9923528), wk = 0.0029499 k( 49) = ( 0.4285714 -1.7382805 -1.0134667), wk = 0.0029499 k( 50) = ( 0.4375000 -1.7744946 -1.0345806), wk = 0.0029499 k( 51) = ( 0.4464286 -1.8107088 -1.0556944), wk = 0.0029499 k( 52) = ( 0.4553571 -1.8469230 -1.0768083), wk = 0.0029499 k( 53) = ( 0.4642857 -1.8831371 -1.0979222), wk = 0.0029499 k( 54) = ( 0.4732143 -1.9193513 -1.1190361), wk = 0.0029499 k( 55) = ( 0.4821429 -1.9555655 -1.1401500), wk = 0.0029499 k( 56) = ( 0.4910714 -1.9917797 -1.1612639), wk = 0.0029499 k( 57) = ( 0.5000000 -2.0279939 -1.1823778), wk = 0.0029499 k( 58) = ( 0.5000000 -2.0279939 -1.1823778), wk = 0.0029499 k( 59) = ( 0.5000000 -2.0064786 -1.2192803), wk = 0.0029499 k( 60) = ( 0.5000000 -1.9849634 -1.2561829), wk = 0.0029499 k( 61) = ( 0.5000000 -1.9634482 -1.2930854), wk = 0.0029499 k( 62) = ( 0.5000000 -1.9419330 -1.3299879), wk = 0.0029499 k( 63) = ( 0.5000000 -1.9204177 -1.3668905), wk = 0.0029499 k( 64) = ( 0.5000000 -1.8989025 -1.4037931), wk = 0.0029499 k( 65) = ( 0.5000000 -1.8773873 -1.4406956), wk = 0.0029499 k( 66) = ( 0.5000000 -1.8558721 -1.4775981), wk = 0.0029499 k( 67) = ( 0.5000000 -1.8343568 -1.5145007), wk = 0.0029499 k( 68) = ( 0.5000000 -1.8128416 -1.5514032), wk = 0.0029499 k( 69) = ( 0.5000000 -1.7913264 -1.5883057), wk = 0.0029499 k( 70) = ( 0.5000000 -1.7698111 -1.6252083), wk = 0.0029499 k( 71) = ( 0.5000000 -1.7482959 -1.6621109), wk = 0.0029499 k( 72) = ( 0.5000000 -1.7267807 -1.6990134), wk = 0.0029499 k( 73) = ( 0.5000000 -1.7052654 -1.7359160), wk = 0.0029499 k( 74) = ( 0.5000000 -1.6837502 -1.7728185), wk = 0.0029499 k( 75) = ( 0.5000000 -1.6622350 -1.8097210), wk = 0.0029499 k( 76) = ( 0.5000000 -1.6407198 -1.8466236), wk = 0.0029499 k( 77) = ( 0.5000000 -1.6192045 -1.8835261), wk = 0.0029499 k( 78) = ( 0.5000000 -1.5976893 -1.9204286), wk = 0.0029499 k( 79) = ( 0.5000000 -1.5761741 -1.9573312), wk = 0.0029499 k( 80) = ( 0.5000000 -1.5546589 -1.9942338), wk = 0.0029499 k( 81) = ( 0.5000000 -1.5331436 -2.0311363), wk = 0.0029499 k( 82) = ( 0.5000000 -1.5116284 -2.0680388), wk = 0.0029499 k( 83) = ( 0.5000000 -1.4901132 -2.1049414), wk = 0.0029499 k( 84) = ( 0.5000000 -1.4685980 -2.1418439), wk = 0.0029499 k( 85) = ( 0.5000000 -1.4470827 -2.1787464), wk = 0.0029499 k( 86) = ( 0.5000000 -1.4255675 -2.2156490), wk = 0.0029499 k( 87) = ( 0.5000000 -1.4040523 -2.2525516), wk = 0.0029499 k( 88) = ( 0.5000000 -1.3825371 -2.2894541), wk = 0.0029499 k( 89) = ( 0.5000000 -1.3610218 -2.3263567), wk = 0.0029499 k( 90) = ( 0.5000000 -1.3395066 -2.3632592), wk = 0.0029499 k( 91) = ( 0.5000000 -1.3179914 -2.4001617), wk = 0.0029499 k( 92) = ( 0.8300390 -1.2779061 -2.3293494), wk = 0.0029499 k( 93) = ( 0.8248821 -1.2569900 -2.2924001), wk = 0.0029499 k( 94) = ( 0.8197253 -1.2360738 -2.2554508), wk = 0.0029499 k( 95) = ( 0.8145684 -1.2151577 -2.2185015), wk = 0.0029499 k( 96) = ( 0.8094116 -1.1942415 -2.1815522), wk = 0.0029499 k( 97) = ( 0.8042547 -1.1733253 -2.1446029), wk = 0.0029499 k( 98) = ( 0.7990978 -1.1524092 -2.1076536), wk = 0.0029499 k( 99) = ( 0.7939410 -1.1314930 -2.0707043), wk = 0.0029499 k( 100) = ( 0.7887841 -1.1105769 -2.0337550), wk = 0.0029499 k( 101) = ( 0.7836273 -1.0896607 -1.9968056), wk = 0.0029499 k( 102) = ( 0.7784704 -1.0687445 -1.9598563), wk = 0.0029499 k( 103) = ( 0.7733136 -1.0478284 -1.9229070), wk = 0.0029499 k( 104) = ( 0.7681567 -1.0269122 -1.8859577), wk = 0.0029499 k( 105) = ( 0.7629998 -1.0059961 -1.8490084), wk = 0.0029499 k( 106) = ( 0.7578430 -0.9850799 -1.8120591), wk = 0.0029499 k( 107) = ( 0.7526861 -0.9641638 -1.7751099), wk = 0.0029499 k( 108) = ( 0.7475293 -0.9432476 -1.7381606), wk = 0.0029499 k( 109) = ( 0.7423724 -0.9223315 -1.7012112), wk = 0.0029499 k( 110) = ( 0.7372155 -0.9014153 -1.6642619), wk = 0.0029499 k( 111) = ( 0.7320587 -0.8804991 -1.6273126), wk = 0.0029499 k( 112) = ( 0.7269018 -0.8595830 -1.5903633), wk = 0.0029499 k( 113) = ( 0.7217450 -0.8386668 -1.5534140), wk = 0.0029499 k( 114) = ( 0.7165881 -0.8177507 -1.5164647), wk = 0.0029499 k( 115) = ( 0.7114312 -0.7968345 -1.4795154), wk = 0.0029499 k( 116) = ( 0.7062744 -0.7759183 -1.4425661), wk = 0.0029499 k( 117) = ( 0.7011175 -0.7550022 -1.4056168), wk = 0.0029499 k( 118) = ( 0.6959607 -0.7340860 -1.3686675), wk = 0.0029499 k( 119) = ( 0.6908038 -0.7131698 -1.3317182), wk = 0.0029499 k( 120) = ( 0.6856469 -0.6922537 -1.2947688), wk = 0.0029499 k( 121) = ( 0.6804901 -0.6713375 -1.2578195), wk = 0.0029499 k( 122) = ( 0.6753332 -0.6504214 -1.2208702), wk = 0.0029499 k( 123) = ( 0.6701764 -0.6295052 -1.1839209), wk = 0.0029499 k( 124) = ( 0.6650195 -0.6085890 -1.1469716), wk = 0.0029499 k( 125) = ( 0.6598626 -0.5876729 -1.1100223), wk = 0.0029499 k( 126) = ( 0.6547058 -0.5667567 -1.0730730), wk = 0.0029499 k( 127) = ( 0.6495489 -0.5458406 -1.0361237), wk = 0.0029499 k( 128) = ( 0.6443921 -0.5249244 -0.9991744), wk = 0.0029499 k( 129) = ( 0.6392352 -0.5040083 -0.9622251), wk = 0.0029499 k( 130) = ( 0.6340784 -0.4830921 -0.9252758), wk = 0.0029499 k( 131) = ( 0.6289215 -0.4621760 -0.8883265), wk = 0.0029499 k( 132) = ( 0.6237646 -0.4412598 -0.8513772), wk = 0.0029499 k( 133) = ( 0.6186078 -0.4203436 -0.8144279), wk = 0.0029499 k( 134) = ( 0.6134509 -0.3994275 -0.7774786), wk = 0.0029499 k( 135) = ( 0.6082941 -0.3785113 -0.7405293), wk = 0.0029499 k( 136) = ( 0.6031372 -0.3575952 -0.7035800), wk = 0.0029499 k( 137) = ( 0.5979803 -0.3366790 -0.6666307), wk = 0.0029499 k( 138) = ( 0.5928235 -0.3157628 -0.6296813), wk = 0.0029499 k( 139) = ( 0.5876666 -0.2948467 -0.5927320), wk = 0.0029499 k( 140) = ( 0.5825098 -0.2739305 -0.5557827), wk = 0.0029499 k( 141) = ( 0.5773529 -0.2530144 -0.5188334), wk = 0.0029499 k( 142) = ( 0.5721960 -0.2320982 -0.4818841), wk = 0.0029499 k( 143) = ( 0.5670392 -0.2111820 -0.4449348), wk = 0.0029499 k( 144) = ( 0.5618823 -0.1902659 -0.4079855), wk = 0.0029499 k( 145) = ( 0.5567254 -0.1693497 -0.3710362), wk = 0.0029499 k( 146) = ( 0.5515686 -0.1484335 -0.3340869), wk = 0.0029499 k( 147) = ( 0.5464117 -0.1275174 -0.2971376), wk = 0.0029499 k( 148) = ( 0.5412549 -0.1066013 -0.2601883), wk = 0.0029499 k( 149) = ( 0.5360980 -0.0856851 -0.2232390), wk = 0.0029499 k( 150) = ( 0.5309412 -0.0647689 -0.1862897), wk = 0.0029499 k( 151) = ( 0.5257843 -0.0438528 -0.1493404), wk = 0.0029499 k( 152) = ( 0.5206274 -0.0229366 -0.1123911), wk = 0.0029499 k( 153) = ( 0.5154706 -0.0020205 -0.0754418), wk = 0.0029499 k( 154) = ( 0.5103137 0.0188957 -0.0384925), wk = 0.0029499 k( 155) = ( 0.5051569 0.0398119 -0.0015432), wk = 0.0029499 k( 156) = ( 0.5000000 0.0607280 0.0354062), wk = 0.0029499 k( 157) = ( 0.5000000 0.0607280 0.0354062), wk = 0.0029499 k( 158) = ( 0.4583333 0.0556674 0.0324556), wk = 0.0029499 k( 159) = ( 0.4166667 0.0506067 0.0295051), wk = 0.0029499 k( 160) = ( 0.3750000 0.0455460 0.0265546), wk = 0.0029499 k( 161) = ( 0.3333333 0.0404853 0.0236041), wk = 0.0029499 k( 162) = ( 0.2916667 0.0354247 0.0206536), wk = 0.0029499 k( 163) = ( 0.2500000 0.0303640 0.0177031), wk = 0.0029499 k( 164) = ( 0.2083333 0.0253033 0.0147526), wk = 0.0029499 k( 165) = ( 0.1666667 0.0202427 0.0118021), wk = 0.0029499 k( 166) = ( 0.1250000 0.0151820 0.0088515), wk = 0.0029499 k( 167) = ( 0.0833333 0.0101213 0.0059010), wk = 0.0029499 k( 168) = ( 0.0416667 0.0050607 0.0029505), wk = 0.0029499 k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 171) = ( 0.0051535 -0.0209027 -0.0369256), wk = 0.0029499 k( 172) = ( 0.0103071 -0.0418054 -0.0738511), wk = 0.0029499 k( 173) = ( 0.0154606 -0.0627082 -0.1107767), wk = 0.0029499 k( 174) = ( 0.0206142 -0.0836109 -0.1477022), wk = 0.0029499 k( 175) = ( 0.0257677 -0.1045136 -0.1846278), wk = 0.0029499 k( 176) = ( 0.0309213 -0.1254163 -0.2215534), wk = 0.0029499 k( 177) = ( 0.0360748 -0.1463190 -0.2584789), wk = 0.0029499 k( 178) = ( 0.0412284 -0.1672218 -0.2954045), wk = 0.0029499 k( 179) = ( 0.0463819 -0.1881245 -0.3323301), wk = 0.0029499 k( 180) = ( 0.0515355 -0.2090272 -0.3692556), wk = 0.0029499 k( 181) = ( 0.0566890 -0.2299299 -0.4061812), wk = 0.0029499 k( 182) = ( 0.0618426 -0.2508326 -0.4431068), wk = 0.0029499 k( 183) = ( 0.0669961 -0.2717354 -0.4800324), wk = 0.0029499 k( 184) = ( 0.0721496 -0.2926381 -0.5169579), wk = 0.0029499 k( 185) = ( 0.0773032 -0.3135408 -0.5538835), wk = 0.0029499 k( 186) = ( 0.0824567 -0.3344435 -0.5908091), wk = 0.0029499 k( 187) = ( 0.0876103 -0.3553462 -0.6277346), wk = 0.0029499 k( 188) = ( 0.0927638 -0.3762490 -0.6646602), wk = 0.0029499 k( 189) = ( 0.0979174 -0.3971517 -0.7015858), wk = 0.0029499 k( 190) = ( 0.1030709 -0.4180544 -0.7385113), wk = 0.0029499 k( 191) = ( 0.1082245 -0.4389571 -0.7754369), wk = 0.0029499 k( 192) = ( 0.1133780 -0.4598598 -0.8123624), wk = 0.0029499 k( 193) = ( 0.1185316 -0.4807626 -0.8492880), wk = 0.0029499 k( 194) = ( 0.1236851 -0.5016653 -0.8862136), wk = 0.0029499 k( 195) = ( 0.1288386 -0.5225680 -0.9231391), wk = 0.0029499 k( 196) = ( 0.1339922 -0.5434707 -0.9600647), wk = 0.0029499 k( 197) = ( 0.1391457 -0.5643734 -0.9969902), wk = 0.0029499 k( 198) = ( 0.1442993 -0.5852761 -1.0339158), wk = 0.0029499 k( 199) = ( 0.1494528 -0.6061789 -1.0708414), wk = 0.0029499 k( 200) = ( 0.1546064 -0.6270816 -1.1077669), wk = 0.0029499 k( 201) = ( 0.1597599 -0.6479843 -1.1446925), wk = 0.0029499 k( 202) = ( 0.1649135 -0.6688870 -1.1816181), wk = 0.0029499 k( 203) = ( 0.1700670 -0.6897897 -1.2185436), wk = 0.0029499 k( 204) = ( 0.1752206 -0.7106925 -1.2554692), wk = 0.0029499 k( 205) = ( 0.1803741 -0.7315952 -1.2923948), wk = 0.0029499 k( 206) = ( 0.1855277 -0.7524979 -1.3293203), wk = 0.0029499 k( 207) = ( 0.1906812 -0.7734006 -1.3662459), wk = 0.0029499 k( 208) = ( 0.1958348 -0.7943033 -1.4031715), wk = 0.0029499 k( 209) = ( 0.2009883 -0.8152061 -1.4400971), wk = 0.0029499 k( 210) = ( 0.2061418 -0.8361088 -1.4770226), wk = 0.0029499 k( 211) = ( 0.2112954 -0.8570115 -1.5139482), wk = 0.0029499 k( 212) = ( 0.2164489 -0.8779142 -1.5508738), wk = 0.0029499 k( 213) = ( 0.2216025 -0.8988169 -1.5877993), wk = 0.0029499 k( 214) = ( 0.2267560 -0.9197197 -1.6247249), wk = 0.0029499 k( 215) = ( 0.2319096 -0.9406224 -1.6616504), wk = 0.0029499 k( 216) = ( 0.2370631 -0.9615251 -1.6985760), wk = 0.0029499 k( 217) = ( 0.2422167 -0.9824278 -1.7355016), wk = 0.0029499 k( 218) = ( 0.2473702 -1.0033305 -1.7724271), wk = 0.0029499 k( 219) = ( 0.2525238 -1.0242333 -1.8093527), wk = 0.0029499 k( 220) = ( 0.2576773 -1.0451360 -1.8462782), wk = 0.0029499 k( 221) = ( 0.2628309 -1.0660387 -1.8832038), wk = 0.0029499 k( 222) = ( 0.2679844 -1.0869414 -1.9201294), wk = 0.0029499 k( 223) = ( 0.2731379 -1.1078441 -1.9570549), wk = 0.0029499 k( 224) = ( 0.2782915 -1.1287469 -1.9939805), wk = 0.0029499 k( 225) = ( 0.2834450 -1.1496496 -2.0309061), wk = 0.0029499 k( 226) = ( 0.2885986 -1.1705523 -2.0678316), wk = 0.0029499 k( 227) = ( 0.2937521 -1.1914550 -2.1047572), wk = 0.0029499 k( 228) = ( 0.2989057 -1.2123577 -2.1416827), wk = 0.0029499 k( 229) = ( 0.3040592 -1.2332605 -2.1786083), wk = 0.0029499 k( 230) = ( 0.3092128 -1.2541632 -2.2155339), wk = 0.0029499 k( 231) = ( 0.3143663 -1.2750659 -2.2524595), wk = 0.0029499 k( 232) = ( 0.3195199 -1.2959686 -2.2893850), wk = 0.0029499 k( 233) = ( 0.3246734 -1.3168713 -2.3263106), wk = 0.0029499 k( 234) = ( 0.3298270 -1.3377741 -2.3632362), wk = 0.0029499 k( 235) = ( 0.3349805 -1.3586768 -2.4001618), wk = 0.0029499 k( 236) = ( 0.6650195 -1.2979487 -2.3647556), wk = 0.0029499 k( 237) = ( 0.6598626 -1.2554901 -2.3647556), wk = 0.0029499 k( 238) = ( 0.6547058 -1.2130314 -2.3647556), wk = 0.0029499 k( 239) = ( 0.6495489 -1.1705728 -2.3647556), wk = 0.0029499 k( 240) = ( 0.6443921 -1.1281142 -2.3647556), wk = 0.0029499 k( 241) = ( 0.6392352 -1.0856555 -2.3647556), wk = 0.0029499 k( 242) = ( 0.6340784 -1.0431969 -2.3647556), wk = 0.0029499 k( 243) = ( 0.6289215 -1.0007382 -2.3647556), wk = 0.0029499 k( 244) = ( 0.6237646 -0.9582796 -2.3647556), wk = 0.0029499 k( 245) = ( 0.6186078 -0.9158209 -2.3647556), wk = 0.0029499 k( 246) = ( 0.6134509 -0.8733623 -2.3647556), wk = 0.0029499 k( 247) = ( 0.6082941 -0.8309036 -2.3647556), wk = 0.0029499 k( 248) = ( 0.6031372 -0.7884450 -2.3647556), wk = 0.0029499 k( 249) = ( 0.5979803 -0.7459863 -2.3647556), wk = 0.0029499 k( 250) = ( 0.5928235 -0.7035277 -2.3647556), wk = 0.0029499 k( 251) = ( 0.5876666 -0.6610690 -2.3647556), wk = 0.0029499 k( 252) = ( 0.5825098 -0.6186104 -2.3647556), wk = 0.0029499 k( 253) = ( 0.5773529 -0.5761517 -2.3647556), wk = 0.0029499 k( 254) = ( 0.5721960 -0.5336930 -2.3647556), wk = 0.0029499 k( 255) = ( 0.5670392 -0.4912344 -2.3647556), wk = 0.0029499 k( 256) = ( 0.5618823 -0.4487757 -2.3647556), wk = 0.0029499 k( 257) = ( 0.5567254 -0.4063171 -2.3647556), wk = 0.0029499 k( 258) = ( 0.5515686 -0.3638584 -2.3647556), wk = 0.0029499 k( 259) = ( 0.5464117 -0.3213999 -2.3647556), wk = 0.0029499 k( 260) = ( 0.5412549 -0.2789412 -2.3647556), wk = 0.0029499 k( 261) = ( 0.5360980 -0.2364826 -2.3647556), wk = 0.0029499 k( 262) = ( 0.5309412 -0.1940239 -2.3647556), wk = 0.0029499 k( 263) = ( 0.5257843 -0.1515652 -2.3647556), wk = 0.0029499 k( 264) = ( 0.5206274 -0.1091066 -2.3647556), wk = 0.0029499 k( 265) = ( 0.5154706 -0.0666479 -2.3647556), wk = 0.0029499 k( 266) = ( 0.5103137 -0.0241893 -2.3647556), wk = 0.0029499 k( 267) = ( 0.5051569 0.0182694 -2.3647556), wk = 0.0029499 k( 268) = ( 0.5000000 0.0607280 -2.3647556), wk = 0.0029499 k( 269) = ( 0.5000000 0.0607280 -2.3647556), wk = 0.0029499 k( 270) = ( 0.5412549 0.0657387 -2.3559040), wk = 0.0029499 k( 271) = ( 0.5825098 0.0707493 -2.3470525), wk = 0.0029499 k( 272) = ( 0.6237646 0.0757600 -2.3382010), wk = 0.0029499 k( 273) = ( 0.6650195 0.0807706 -2.3293494), wk = 0.0029499 k( 274) = ( 0.6650195 0.0807706 -2.3293494), wk = 0.0029499 k( 275) = ( 0.6620727 0.0804127 -2.2871216), wk = 0.0029499 k( 276) = ( 0.6591259 0.0800548 -2.2448939), wk = 0.0029499 k( 277) = ( 0.6561792 0.0796969 -2.2026661), wk = 0.0029499 k( 278) = ( 0.6532324 0.0793390 -2.1604383), wk = 0.0029499 k( 279) = ( 0.6502856 0.0789811 -2.1182105), wk = 0.0029499 k( 280) = ( 0.6473388 0.0786232 -2.0759828), wk = 0.0029499 k( 281) = ( 0.6443921 0.0782653 -2.0337550), wk = 0.0029499 k( 282) = ( 0.6414453 0.0779074 -1.9915272), wk = 0.0029499 k( 283) = ( 0.6384985 0.0775495 -1.9492994), wk = 0.0029499 k( 284) = ( 0.6355517 0.0771916 -1.9070717), wk = 0.0029499 k( 285) = ( 0.6326050 0.0768337 -1.8648439), wk = 0.0029499 k( 286) = ( 0.6296582 0.0764758 -1.8226161), wk = 0.0029499 k( 287) = ( 0.6267114 0.0761179 -1.7803883), wk = 0.0029499 k( 288) = ( 0.6237646 0.0757600 -1.7381606), wk = 0.0029499 k( 289) = ( 0.6208179 0.0754021 -1.6959327), wk = 0.0029499 k( 290) = ( 0.6178711 0.0750442 -1.6537050), wk = 0.0029499 k( 291) = ( 0.6149243 0.0746863 -1.6114772), wk = 0.0029499 k( 292) = ( 0.6119775 0.0743284 -1.5692494), wk = 0.0029499 k( 293) = ( 0.6090307 0.0739705 -1.5270216), wk = 0.0029499 k( 294) = ( 0.6060840 0.0736126 -1.4847939), wk = 0.0029499 k( 295) = ( 0.6031372 0.0732547 -1.4425661), wk = 0.0029499 k( 296) = ( 0.6001904 0.0728968 -1.4003383), wk = 0.0029499 k( 297) = ( 0.5972436 0.0725388 -1.3581105), wk = 0.0029499 k( 298) = ( 0.5942969 0.0721809 -1.3158828), wk = 0.0029499 k( 299) = ( 0.5913501 0.0718230 -1.2736550), wk = 0.0029499 k( 300) = ( 0.5884033 0.0714651 -1.2314272), wk = 0.0029499 k( 301) = ( 0.5854565 0.0711072 -1.1891994), wk = 0.0029499 k( 302) = ( 0.5825098 0.0707493 -1.1469716), wk = 0.0029499 k( 303) = ( 0.5795630 0.0703914 -1.1047439), wk = 0.0029499 k( 304) = ( 0.5766162 0.0700335 -1.0625161), wk = 0.0029499 k( 305) = ( 0.5736694 0.0696756 -1.0202883), wk = 0.0029499 k( 306) = ( 0.5707226 0.0693177 -0.9780605), wk = 0.0029499 k( 307) = ( 0.5677759 0.0689598 -0.9358328), wk = 0.0029499 k( 308) = ( 0.5648291 0.0686019 -0.8936050), wk = 0.0029499 k( 309) = ( 0.5618823 0.0682440 -0.8513772), wk = 0.0029499 k( 310) = ( 0.5589355 0.0678861 -0.8091494), wk = 0.0029499 k( 311) = ( 0.5559888 0.0675282 -0.7669216), wk = 0.0029499 k( 312) = ( 0.5530420 0.0671703 -0.7246939), wk = 0.0029499 k( 313) = ( 0.5500952 0.0668124 -0.6824661), wk = 0.0029499 k( 314) = ( 0.5471484 0.0664545 -0.6402383), wk = 0.0029499 k( 315) = ( 0.5442016 0.0660966 -0.5980105), wk = 0.0029499 k( 316) = ( 0.5412549 0.0657387 -0.5557827), wk = 0.0029499 k( 317) = ( 0.5383081 0.0653808 -0.5135550), wk = 0.0029499 k( 318) = ( 0.5353613 0.0650229 -0.4713272), wk = 0.0029499 k( 319) = ( 0.5324146 0.0646650 -0.4290994), wk = 0.0029499 k( 320) = ( 0.5294678 0.0643071 -0.3868716), wk = 0.0029499 k( 321) = ( 0.5265210 0.0639492 -0.3446438), wk = 0.0029499 k( 322) = ( 0.5235742 0.0635913 -0.3024160), wk = 0.0029499 k( 323) = ( 0.5206274 0.0632333 -0.2601883), wk = 0.0029499 k( 324) = ( 0.5176807 0.0628754 -0.2179605), wk = 0.0029499 k( 325) = ( 0.5147339 0.0625175 -0.1757327), wk = 0.0029499 k( 326) = ( 0.5117871 0.0621596 -0.1335049), wk = 0.0029499 k( 327) = ( 0.5088403 0.0618017 -0.0912772), wk = 0.0029499 k( 328) = ( 0.5058936 0.0614438 -0.0490494), wk = 0.0029499 k( 329) = ( 0.5029468 0.0610859 -0.0068216), wk = 0.0029499 k( 330) = ( 0.5000000 0.0607280 0.0354062), wk = 0.0029499 k( 331) = ( 0.5000000 -2.0279939 -1.1823778), wk = 0.0029499 k( 332) = ( 0.5412549 -2.0204029 -1.1779520), wk = 0.0029499 k( 333) = ( 0.5825098 -2.0128119 -1.1735263), wk = 0.0029499 k( 334) = ( 0.6237646 -2.0052208 -1.1691005), wk = 0.0029499 k( 335) = ( 0.6650195 -1.9976298 -1.1646747), wk = 0.0029499 k( 336) = ( 0.7062744 -1.9900388 -1.1602489), wk = 0.0029499 k( 337) = ( 0.7475293 -1.9824479 -1.1558232), wk = 0.0029499 k( 338) = ( 0.7887841 -1.9748568 -1.1513974), wk = 0.0029499 k( 339) = ( 0.8300390 -1.9672658 -1.1469716), wk = 0.0029499 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 2) = ( 0.0089286 0.0000000 0.0000000), wk = 0.0029499 k( 3) = ( 0.0178571 0.0000000 0.0000000), wk = 0.0029499 k( 4) = ( 0.0267857 -0.0000000 0.0000000), wk = 0.0029499 k( 5) = ( 0.0357143 -0.0000000 -0.0000000), wk = 0.0029499 k( 6) = ( 0.0446429 0.0000000 0.0000000), wk = 0.0029499 k( 7) = ( 0.0535714 -0.0000000 0.0000000), wk = 0.0029499 k( 8) = ( 0.0625000 -0.0000000 -0.0000000), wk = 0.0029499 k( 9) = ( 0.0714286 0.0000000 0.0000000), wk = 0.0029499 k( 10) = ( 0.0803571 -0.0000000 -0.0000000), wk = 0.0029499 k( 11) = ( 0.0892857 -0.0000000 -0.0000000), wk = 0.0029499 k( 12) = ( 0.0982143 0.0000000 0.0000000), wk = 0.0029499 k( 13) = ( 0.1071429 -0.0000000 0.0000000), wk = 0.0029499 k( 14) = ( 0.1160714 0.0000000 -0.0000000), wk = 0.0029499 k( 15) = ( 0.1250000 -0.0000000 -0.0000000), wk = 0.0029499 k( 16) = ( 0.1339286 0.0000000 0.0000000), wk = 0.0029499 k( 17) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0029499 k( 18) = ( 0.1517857 -0.0000000 0.0000000), wk = 0.0029499 k( 19) = ( 0.1607143 -0.0000000 0.0000000), wk = 0.0029499 k( 20) = ( 0.1696429 -0.0000000 -0.0000000), wk = 0.0029499 k( 21) = ( 0.1785714 -0.0000000 -0.0000000), wk = 0.0029499 k( 22) = ( 0.1875000 0.0000000 -0.0000000), wk = 0.0029499 k( 23) = ( 0.1964286 -0.0000000 0.0000000), wk = 0.0029499 k( 24) = ( 0.2053571 0.0000000 0.0000000), wk = 0.0029499 k( 25) = ( 0.2142857 0.0000000 0.0000000), wk = 0.0029499 k( 26) = ( 0.2232143 0.0000000 0.0000000), wk = 0.0029499 k( 27) = ( 0.2321429 0.0000000 -0.0000000), wk = 0.0029499 k( 28) = ( 0.2410714 -0.0000000 -0.0000000), wk = 0.0029499 k( 29) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0029499 k( 30) = ( 0.2589286 0.0000000 0.0000000), wk = 0.0029499 k( 31) = ( 0.2678571 0.0000000 0.0000000), wk = 0.0029499 k( 32) = ( 0.2767857 0.0000000 0.0000000), wk = 0.0029499 k( 33) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0029499 k( 34) = ( 0.2946429 -0.0000000 -0.0000000), wk = 0.0029499 k( 35) = ( 0.3035714 0.0000000 0.0000000), wk = 0.0029499 k( 36) = ( 0.3125000 -0.0000000 -0.0000000), wk = 0.0029499 k( 37) = ( 0.3214286 0.0000000 0.0000000), wk = 0.0029499 k( 38) = ( 0.3303571 0.0000000 0.0000000), wk = 0.0029499 k( 39) = ( 0.3392857 0.0000000 -0.0000000), wk = 0.0029499 k( 40) = ( 0.3482143 0.0000000 0.0000000), wk = 0.0029499 k( 41) = ( 0.3571429 -0.0000000 -0.0000000), wk = 0.0029499 k( 42) = ( 0.3660714 0.0000000 0.0000000), wk = 0.0029499 k( 43) = ( 0.3750000 0.0000000 -0.0000000), wk = 0.0029499 k( 44) = ( 0.3839286 0.0000000 0.0000000), wk = 0.0029499 k( 45) = ( 0.3928571 -0.0000000 0.0000000), wk = 0.0029499 k( 46) = ( 0.4017857 -0.0000000 0.0000000), wk = 0.0029499 k( 47) = ( 0.4107143 -0.0000000 -0.0000000), wk = 0.0029499 k( 48) = ( 0.4196429 0.0000000 0.0000000), wk = 0.0029499 k( 49) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0029499 k( 50) = ( 0.4375000 -0.0000000 0.0000000), wk = 0.0029499 k( 51) = ( 0.4464286 -0.0000000 0.0000000), wk = 0.0029499 k( 52) = ( 0.4553571 -0.0000000 -0.0000000), wk = 0.0029499 k( 53) = ( 0.4642857 -0.0000000 -0.0000000), wk = 0.0029499 k( 54) = ( 0.4732143 -0.0000000 -0.0000000), wk = 0.0029499 k( 55) = ( 0.4821429 -0.0000000 -0.0000000), wk = 0.0029499 k( 56) = ( 0.4910714 -0.0000000 -0.0000000), wk = 0.0029499 k( 57) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0029499 k( 58) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0029499 k( 59) = ( 0.5000000 0.0051503 -0.0051503), wk = 0.0029499 k( 60) = ( 0.5000000 0.0103007 -0.0103007), wk = 0.0029499 k( 61) = ( 0.5000000 0.0154510 -0.0154510), wk = 0.0029499 k( 62) = ( 0.5000000 0.0206013 -0.0206013), wk = 0.0029499 k( 63) = ( 0.5000000 0.0257517 -0.0257517), wk = 0.0029499 k( 64) = ( 0.5000000 0.0309020 -0.0309020), wk = 0.0029499 k( 65) = ( 0.5000000 0.0360523 -0.0360523), wk = 0.0029499 k( 66) = ( 0.5000000 0.0412027 -0.0412027), wk = 0.0029499 k( 67) = ( 0.5000000 0.0463530 -0.0463530), wk = 0.0029499 k( 68) = ( 0.5000000 0.0515033 -0.0515033), wk = 0.0029499 k( 69) = ( 0.5000000 0.0566537 -0.0566537), wk = 0.0029499 k( 70) = ( 0.5000000 0.0618040 -0.0618040), wk = 0.0029499 k( 71) = ( 0.5000000 0.0669543 -0.0669543), wk = 0.0029499 k( 72) = ( 0.5000000 0.0721047 -0.0721047), wk = 0.0029499 k( 73) = ( 0.5000000 0.0772550 -0.0772550), wk = 0.0029499 k( 74) = ( 0.5000000 0.0824053 -0.0824053), wk = 0.0029499 k( 75) = ( 0.5000000 0.0875557 -0.0875557), wk = 0.0029499 k( 76) = ( 0.5000000 0.0927060 -0.0927060), wk = 0.0029499 k( 77) = ( 0.5000000 0.0978563 -0.0978563), wk = 0.0029499 k( 78) = ( 0.5000000 0.1030067 -0.1030067), wk = 0.0029499 k( 79) = ( 0.5000000 0.1081570 -0.1081570), wk = 0.0029499 k( 80) = ( 0.5000000 0.1133073 -0.1133073), wk = 0.0029499 k( 81) = ( 0.5000000 0.1184577 -0.1184577), wk = 0.0029499 k( 82) = ( 0.5000000 0.1236080 -0.1236080), wk = 0.0029499 k( 83) = ( 0.5000000 0.1287583 -0.1287583), wk = 0.0029499 k( 84) = ( 0.5000000 0.1339087 -0.1339087), wk = 0.0029499 k( 85) = ( 0.5000000 0.1390590 -0.1390590), wk = 0.0029499 k( 86) = ( 0.5000000 0.1442093 -0.1442093), wk = 0.0029499 k( 87) = ( 0.5000000 0.1493597 -0.1493597), wk = 0.0029499 k( 88) = ( 0.5000000 0.1545100 -0.1545100), wk = 0.0029499 k( 89) = ( 0.5000000 0.1596603 -0.1596603), wk = 0.0029499 k( 90) = ( 0.5000000 0.1648107 -0.1648107), wk = 0.0029499 k( 91) = ( 0.5000000 0.1699610 -0.1699610), wk = 0.0029499 k( 92) = ( 0.8300390 0.5000000 0.1699610), wk = 0.0029499 k( 93) = ( 0.8248821 0.5000000 0.1751179), wk = 0.0029499 k( 94) = ( 0.8197253 0.5000000 0.1802747), wk = 0.0029499 k( 95) = ( 0.8145684 0.5000000 0.1854316), wk = 0.0029499 k( 96) = ( 0.8094116 0.5000000 0.1905884), wk = 0.0029499 k( 97) = ( 0.8042547 0.5000000 0.1957453), wk = 0.0029499 k( 98) = ( 0.7990978 0.5000000 0.2009021), wk = 0.0029499 k( 99) = ( 0.7939410 0.5000000 0.2060590), wk = 0.0029499 k( 100) = ( 0.7887841 0.5000000 0.2112159), wk = 0.0029499 k( 101) = ( 0.7836273 0.5000000 0.2163727), wk = 0.0029499 k( 102) = ( 0.7784704 0.5000000 0.2215296), wk = 0.0029499 k( 103) = ( 0.7733136 0.5000000 0.2266865), wk = 0.0029499 k( 104) = ( 0.7681567 0.5000000 0.2318433), wk = 0.0029499 k( 105) = ( 0.7629998 0.5000000 0.2370002), wk = 0.0029499 k( 106) = ( 0.7578430 0.5000000 0.2421570), wk = 0.0029499 k( 107) = ( 0.7526861 0.5000000 0.2473139), wk = 0.0029499 k( 108) = ( 0.7475293 0.5000000 0.2524707), wk = 0.0029499 k( 109) = ( 0.7423724 0.5000000 0.2576276), wk = 0.0029499 k( 110) = ( 0.7372155 0.5000000 0.2627845), wk = 0.0029499 k( 111) = ( 0.7320587 0.5000000 0.2679413), wk = 0.0029499 k( 112) = ( 0.7269018 0.5000000 0.2730982), wk = 0.0029499 k( 113) = ( 0.7217450 0.5000000 0.2782550), wk = 0.0029499 k( 114) = ( 0.7165881 0.5000000 0.2834119), wk = 0.0029499 k( 115) = ( 0.7114312 0.5000000 0.2885688), wk = 0.0029499 k( 116) = ( 0.7062744 0.5000000 0.2937256), wk = 0.0029499 k( 117) = ( 0.7011175 0.5000000 0.2988825), wk = 0.0029499 k( 118) = ( 0.6959607 0.5000000 0.3040393), wk = 0.0029499 k( 119) = ( 0.6908038 0.5000000 0.3091962), wk = 0.0029499 k( 120) = ( 0.6856469 0.5000000 0.3143531), wk = 0.0029499 k( 121) = ( 0.6804901 0.5000000 0.3195099), wk = 0.0029499 k( 122) = ( 0.6753332 0.5000000 0.3246668), wk = 0.0029499 k( 123) = ( 0.6701764 0.5000000 0.3298236), wk = 0.0029499 k( 124) = ( 0.6650195 0.5000000 0.3349805), wk = 0.0029499 k( 125) = ( 0.6598626 0.5000000 0.3401374), wk = 0.0029499 k( 126) = ( 0.6547058 0.5000000 0.3452942), wk = 0.0029499 k( 127) = ( 0.6495489 0.5000000 0.3504511), wk = 0.0029499 k( 128) = ( 0.6443921 0.5000000 0.3556079), wk = 0.0029499 k( 129) = ( 0.6392352 0.5000000 0.3607648), wk = 0.0029499 k( 130) = ( 0.6340784 0.5000000 0.3659216), wk = 0.0029499 k( 131) = ( 0.6289215 0.5000000 0.3710785), wk = 0.0029499 k( 132) = ( 0.6237646 0.5000000 0.3762354), wk = 0.0029499 k( 133) = ( 0.6186078 0.5000000 0.3813922), wk = 0.0029499 k( 134) = ( 0.6134509 0.5000000 0.3865491), wk = 0.0029499 k( 135) = ( 0.6082941 0.5000000 0.3917060), wk = 0.0029499 k( 136) = ( 0.6031372 0.5000000 0.3968628), wk = 0.0029499 k( 137) = ( 0.5979803 0.5000000 0.4020197), wk = 0.0029499 k( 138) = ( 0.5928235 0.5000000 0.4071765), wk = 0.0029499 k( 139) = ( 0.5876666 0.5000000 0.4123334), wk = 0.0029499 k( 140) = ( 0.5825098 0.5000000 0.4174902), wk = 0.0029499 k( 141) = ( 0.5773529 0.5000000 0.4226471), wk = 0.0029499 k( 142) = ( 0.5721960 0.5000000 0.4278040), wk = 0.0029499 k( 143) = ( 0.5670392 0.5000000 0.4329608), wk = 0.0029499 k( 144) = ( 0.5618823 0.5000000 0.4381177), wk = 0.0029499 k( 145) = ( 0.5567254 0.5000000 0.4432745), wk = 0.0029499 k( 146) = ( 0.5515686 0.5000000 0.4484314), wk = 0.0029499 k( 147) = ( 0.5464117 0.5000000 0.4535883), wk = 0.0029499 k( 148) = ( 0.5412549 0.5000000 0.4587451), wk = 0.0029499 k( 149) = ( 0.5360980 0.5000000 0.4639020), wk = 0.0029499 k( 150) = ( 0.5309412 0.5000000 0.4690588), wk = 0.0029499 k( 151) = ( 0.5257843 0.5000000 0.4742157), wk = 0.0029499 k( 152) = ( 0.5206274 0.5000000 0.4793726), wk = 0.0029499 k( 153) = ( 0.5154706 0.5000000 0.4845294), wk = 0.0029499 k( 154) = ( 0.5103137 0.5000000 0.4896863), wk = 0.0029499 k( 155) = ( 0.5051569 0.5000000 0.4948431), wk = 0.0029499 k( 156) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029499 k( 157) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029499 k( 158) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0029499 k( 159) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0029499 k( 160) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0029499 k( 161) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0029499 k( 162) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0029499 k( 163) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029499 k( 164) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0029499 k( 165) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0029499 k( 166) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0029499 k( 167) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0029499 k( 168) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0029499 k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 171) = ( 0.0051535 0.0000000 -0.0051535), wk = 0.0029499 k( 172) = ( 0.0103071 -0.0000000 -0.0103071), wk = 0.0029499 k( 173) = ( 0.0154606 -0.0000000 -0.0154606), wk = 0.0029499 k( 174) = ( 0.0206142 -0.0000000 -0.0206142), wk = 0.0029499 k( 175) = ( 0.0257677 -0.0000000 -0.0257677), wk = 0.0029499 k( 176) = ( 0.0309213 -0.0000000 -0.0309213), wk = 0.0029499 k( 177) = ( 0.0360748 0.0000000 -0.0360748), wk = 0.0029499 k( 178) = ( 0.0412284 -0.0000000 -0.0412284), wk = 0.0029499 k( 179) = ( 0.0463819 -0.0000000 -0.0463819), wk = 0.0029499 k( 180) = ( 0.0515355 -0.0000000 -0.0515355), wk = 0.0029499 k( 181) = ( 0.0566890 -0.0000000 -0.0566890), wk = 0.0029499 k( 182) = ( 0.0618426 0.0000000 -0.0618425), wk = 0.0029499 k( 183) = ( 0.0669961 -0.0000000 -0.0669961), wk = 0.0029499 k( 184) = ( 0.0721496 -0.0000000 -0.0721497), wk = 0.0029499 k( 185) = ( 0.0773032 -0.0000000 -0.0773032), wk = 0.0029499 k( 186) = ( 0.0824567 -0.0000000 -0.0824567), wk = 0.0029499 k( 187) = ( 0.0876103 0.0000000 -0.0876103), wk = 0.0029499 k( 188) = ( 0.0927638 0.0000000 -0.0927638), wk = 0.0029499 k( 189) = ( 0.0979174 0.0000000 -0.0979174), wk = 0.0029499 k( 190) = ( 0.1030709 -0.0000000 -0.1030709), wk = 0.0029499 k( 191) = ( 0.1082245 -0.0000000 -0.1082245), wk = 0.0029499 k( 192) = ( 0.1133780 0.0000000 -0.1133780), wk = 0.0029499 k( 193) = ( 0.1185316 0.0000000 -0.1185316), wk = 0.0029499 k( 194) = ( 0.1236851 0.0000000 -0.1236851), wk = 0.0029499 k( 195) = ( 0.1288386 -0.0000000 -0.1288387), wk = 0.0029499 k( 196) = ( 0.1339922 -0.0000000 -0.1339922), wk = 0.0029499 k( 197) = ( 0.1391457 0.0000000 -0.1391457), wk = 0.0029499 k( 198) = ( 0.1442993 0.0000000 -0.1442993), wk = 0.0029499 k( 199) = ( 0.1494528 0.0000000 -0.1494528), wk = 0.0029499 k( 200) = ( 0.1546064 -0.0000000 -0.1546064), wk = 0.0029499 k( 201) = ( 0.1597599 -0.0000000 -0.1597599), wk = 0.0029499 k( 202) = ( 0.1649135 -0.0000000 -0.1649135), wk = 0.0029499 k( 203) = ( 0.1700670 -0.0000000 -0.1700670), wk = 0.0029499 k( 204) = ( 0.1752206 -0.0000000 -0.1752206), wk = 0.0029499 k( 205) = ( 0.1803741 0.0000000 -0.1803741), wk = 0.0029499 k( 206) = ( 0.1855277 0.0000000 -0.1855277), wk = 0.0029499 k( 207) = ( 0.1906812 0.0000000 -0.1906812), wk = 0.0029499 k( 208) = ( 0.1958348 0.0000000 -0.1958348), wk = 0.0029499 k( 209) = ( 0.2009883 -0.0000000 -0.2009883), wk = 0.0029499 k( 210) = ( 0.2061418 -0.0000000 -0.2061418), wk = 0.0029499 k( 211) = ( 0.2112954 -0.0000000 -0.2112954), wk = 0.0029499 k( 212) = ( 0.2164489 -0.0000000 -0.2164489), wk = 0.0029499 k( 213) = ( 0.2216025 0.0000000 -0.2216025), wk = 0.0029499 k( 214) = ( 0.2267560 0.0000000 -0.2267560), wk = 0.0029499 k( 215) = ( 0.2319096 0.0000000 -0.2319096), wk = 0.0029499 k( 216) = ( 0.2370631 0.0000000 -0.2370631), wk = 0.0029499 k( 217) = ( 0.2422167 0.0000000 -0.2422167), wk = 0.0029499 k( 218) = ( 0.2473702 -0.0000000 -0.2473702), wk = 0.0029499 k( 219) = ( 0.2525238 -0.0000000 -0.2525238), wk = 0.0029499 k( 220) = ( 0.2576773 -0.0000000 -0.2576773), wk = 0.0029499 k( 221) = ( 0.2628309 -0.0000000 -0.2628309), wk = 0.0029499 k( 222) = ( 0.2679844 -0.0000000 -0.2679844), wk = 0.0029499 k( 223) = ( 0.2731379 0.0000000 -0.2731379), wk = 0.0029499 k( 224) = ( 0.2782915 0.0000000 -0.2782915), wk = 0.0029499 k( 225) = ( 0.2834450 0.0000000 -0.2834450), wk = 0.0029499 k( 226) = ( 0.2885986 0.0000000 -0.2885986), wk = 0.0029499 k( 227) = ( 0.2937521 0.0000000 -0.2937521), wk = 0.0029499 k( 228) = ( 0.2989057 0.0000000 -0.2989057), wk = 0.0029499 k( 229) = ( 0.3040592 0.0000000 -0.3040592), wk = 0.0029499 k( 230) = ( 0.3092128 0.0000000 -0.3092128), wk = 0.0029499 k( 231) = ( 0.3143663 -0.0000000 -0.3143663), wk = 0.0029499 k( 232) = ( 0.3195199 -0.0000000 -0.3195199), wk = 0.0029499 k( 233) = ( 0.3246734 0.0000000 -0.3246734), wk = 0.0029499 k( 234) = ( 0.3298270 0.0000000 -0.3298270), wk = 0.0029499 k( 235) = ( 0.3349805 0.0000000 -0.3349805), wk = 0.0029499 k( 236) = ( 0.6650195 0.3349805 -0.0000000), wk = 0.0029499 k( 237) = ( 0.6598626 0.3401374 0.0000000), wk = 0.0029499 k( 238) = ( 0.6547058 0.3452942 -0.0000000), wk = 0.0029499 k( 239) = ( 0.6495489 0.3504511 -0.0000000), wk = 0.0029499 k( 240) = ( 0.6443921 0.3556079 0.0000000), wk = 0.0029499 k( 241) = ( 0.6392352 0.3607648 0.0000000), wk = 0.0029499 k( 242) = ( 0.6340784 0.3659216 -0.0000000), wk = 0.0029499 k( 243) = ( 0.6289215 0.3710785 -0.0000000), wk = 0.0029499 k( 244) = ( 0.6237646 0.3762354 0.0000000), wk = 0.0029499 k( 245) = ( 0.6186078 0.3813922 0.0000000), wk = 0.0029499 k( 246) = ( 0.6134509 0.3865491 -0.0000000), wk = 0.0029499 k( 247) = ( 0.6082941 0.3917060 0.0000000), wk = 0.0029499 k( 248) = ( 0.6031372 0.3968628 -0.0000000), wk = 0.0029499 k( 249) = ( 0.5979803 0.4020197 -0.0000000), wk = 0.0029499 k( 250) = ( 0.5928235 0.4071765 -0.0000000), wk = 0.0029499 k( 251) = ( 0.5876666 0.4123334 0.0000000), wk = 0.0029499 k( 252) = ( 0.5825098 0.4174902 0.0000000), wk = 0.0029499 k( 253) = ( 0.5773529 0.4226471 -0.0000000), wk = 0.0029499 k( 254) = ( 0.5721960 0.4278040 0.0000000), wk = 0.0029499 k( 255) = ( 0.5670392 0.4329608 0.0000000), wk = 0.0029499 k( 256) = ( 0.5618823 0.4381177 0.0000000), wk = 0.0029499 k( 257) = ( 0.5567254 0.4432746 0.0000000), wk = 0.0029499 k( 258) = ( 0.5515686 0.4484314 0.0000000), wk = 0.0029499 k( 259) = ( 0.5464117 0.4535883 0.0000000), wk = 0.0029499 k( 260) = ( 0.5412549 0.4587451 -0.0000000), wk = 0.0029499 k( 261) = ( 0.5360980 0.4639020 0.0000000), wk = 0.0029499 k( 262) = ( 0.5309412 0.4690588 0.0000000), wk = 0.0029499 k( 263) = ( 0.5257843 0.4742157 0.0000000), wk = 0.0029499 k( 264) = ( 0.5206274 0.4793726 0.0000000), wk = 0.0029499 k( 265) = ( 0.5154706 0.4845294 -0.0000000), wk = 0.0029499 k( 266) = ( 0.5103137 0.4896863 0.0000000), wk = 0.0029499 k( 267) = ( 0.5051569 0.4948431 0.0000000), wk = 0.0029499 k( 268) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029499 k( 269) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029499 k( 270) = ( 0.5412549 0.5412549 0.0424903), wk = 0.0029499 k( 271) = ( 0.5825098 0.5825098 0.0849805), wk = 0.0029499 k( 272) = ( 0.6237646 0.6237646 0.1274707), wk = 0.0029499 k( 273) = ( 0.6650195 0.6650195 0.1699610), wk = 0.0029499 k( 274) = ( 0.6650195 0.6650195 0.1699610), wk = 0.0029499 k( 275) = ( 0.6620727 0.6620727 0.1758545), wk = 0.0029499 k( 276) = ( 0.6591259 0.6591259 0.1817481), wk = 0.0029499 k( 277) = ( 0.6561792 0.6561792 0.1876417), wk = 0.0029499 k( 278) = ( 0.6532324 0.6532324 0.1935352), wk = 0.0029499 k( 279) = ( 0.6502856 0.6502856 0.1994288), wk = 0.0029499 k( 280) = ( 0.6473388 0.6473388 0.2053223), wk = 0.0029499 k( 281) = ( 0.6443921 0.6443921 0.2112159), wk = 0.0029499 k( 282) = ( 0.6414453 0.6414453 0.2171094), wk = 0.0029499 k( 283) = ( 0.6384985 0.6384985 0.2230030), wk = 0.0029499 k( 284) = ( 0.6355517 0.6355517 0.2288965), wk = 0.0029499 k( 285) = ( 0.6326050 0.6326050 0.2347901), wk = 0.0029499 k( 286) = ( 0.6296582 0.6296582 0.2406836), wk = 0.0029499 k( 287) = ( 0.6267114 0.6267114 0.2465772), wk = 0.0029499 k( 288) = ( 0.6237646 0.6237646 0.2524707), wk = 0.0029499 k( 289) = ( 0.6208179 0.6208179 0.2583643), wk = 0.0029499 k( 290) = ( 0.6178711 0.6178711 0.2642578), wk = 0.0029499 k( 291) = ( 0.6149243 0.6149243 0.2701514), wk = 0.0029499 k( 292) = ( 0.6119775 0.6119775 0.2760450), wk = 0.0029499 k( 293) = ( 0.6090307 0.6090307 0.2819385), wk = 0.0029499 k( 294) = ( 0.6060840 0.6060840 0.2878321), wk = 0.0029499 k( 295) = ( 0.6031372 0.6031372 0.2937256), wk = 0.0029499 k( 296) = ( 0.6001904 0.6001904 0.2996192), wk = 0.0029499 k( 297) = ( 0.5972436 0.5972436 0.3055127), wk = 0.0029499 k( 298) = ( 0.5942969 0.5942969 0.3114063), wk = 0.0029499 k( 299) = ( 0.5913501 0.5913501 0.3172998), wk = 0.0029499 k( 300) = ( 0.5884033 0.5884033 0.3231934), wk = 0.0029499 k( 301) = ( 0.5854565 0.5854565 0.3290869), wk = 0.0029499 k( 302) = ( 0.5825098 0.5825098 0.3349805), wk = 0.0029499 k( 303) = ( 0.5795630 0.5795630 0.3408740), wk = 0.0029499 k( 304) = ( 0.5766162 0.5766162 0.3467676), wk = 0.0029499 k( 305) = ( 0.5736694 0.5736694 0.3526612), wk = 0.0029499 k( 306) = ( 0.5707226 0.5707226 0.3585547), wk = 0.0029499 k( 307) = ( 0.5677759 0.5677759 0.3644483), wk = 0.0029499 k( 308) = ( 0.5648291 0.5648291 0.3703418), wk = 0.0029499 k( 309) = ( 0.5618823 0.5618823 0.3762354), wk = 0.0029499 k( 310) = ( 0.5589355 0.5589355 0.3821289), wk = 0.0029499 k( 311) = ( 0.5559888 0.5559888 0.3880225), wk = 0.0029499 k( 312) = ( 0.5530420 0.5530420 0.3939160), wk = 0.0029499 k( 313) = ( 0.5500952 0.5500952 0.3998096), wk = 0.0029499 k( 314) = ( 0.5471484 0.5471484 0.4057031), wk = 0.0029499 k( 315) = ( 0.5442016 0.5442016 0.4115967), wk = 0.0029499 k( 316) = ( 0.5412549 0.5412549 0.4174903), wk = 0.0029499 k( 317) = ( 0.5383081 0.5383081 0.4233838), wk = 0.0029499 k( 318) = ( 0.5353613 0.5353613 0.4292774), wk = 0.0029499 k( 319) = ( 0.5324146 0.5324146 0.4351709), wk = 0.0029499 k( 320) = ( 0.5294678 0.5294678 0.4410645), wk = 0.0029499 k( 321) = ( 0.5265210 0.5265210 0.4469580), wk = 0.0029499 k( 322) = ( 0.5235742 0.5235742 0.4528516), wk = 0.0029499 k( 323) = ( 0.5206274 0.5206274 0.4587451), wk = 0.0029499 k( 324) = ( 0.5176807 0.5176807 0.4646387), wk = 0.0029499 k( 325) = ( 0.5147339 0.5147339 0.4705322), wk = 0.0029499 k( 326) = ( 0.5117871 0.5117871 0.4764258), wk = 0.0029499 k( 327) = ( 0.5088403 0.5088403 0.4823193), wk = 0.0029499 k( 328) = ( 0.5058936 0.5058936 0.4882129), wk = 0.0029499 k( 329) = ( 0.5029468 0.5029468 0.4941064), wk = 0.0029499 k( 330) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029499 k( 331) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0029499 k( 332) = ( 0.5412549 0.0418726 0.0418726), wk = 0.0029499 k( 333) = ( 0.5825098 0.0837451 0.0837451), wk = 0.0029499 k( 334) = ( 0.6237646 0.1256177 0.1256177), wk = 0.0029499 k( 335) = ( 0.6650195 0.1674902 0.1674902), wk = 0.0029499 k( 336) = ( 0.7062744 0.2093628 0.2093628), wk = 0.0029499 k( 337) = ( 0.7475293 0.2512354 0.2512354), wk = 0.0029499 k( 338) = ( 0.7887841 0.2931079 0.2931079), wk = 0.0029499 k( 339) = ( 0.8300390 0.3349805 0.3349805), wk = 0.0029499 Dense grid: 82243 G-vectors FFT dimensions: ( 150, 150, 150) Smooth grid: 32369 G-vectors FFT dimensions: ( 108, 108, 108) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 180, 48) NL pseudopotentials 0.38 Mb ( 90, 274) Each V/rho on FFT grid 1.37 Mb ( 90000) Each G-vector array 0.01 Mb ( 1714) G-vector shells 0.01 Mb ( 1479) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.53 Mb ( 180, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.40 Mb ( 274, 2, 48) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Al6C3N2.save/charge-density.dat Starting wfc are 88 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 52.4 secs Computing kpt #: 2 total cpu time spent up to now is 61.4 secs Computing kpt #: 3 total cpu time spent up to now is 70.5 secs Computing kpt #: 4 total cpu time spent up to now is 79.4 secs Computing kpt #: 5 total cpu time spent up to now is 89.7 secs Computing kpt #: 6 total cpu time spent up to now is 98.6 secs Computing kpt #: 7 total cpu time spent up to now is 107.4 secs Computing kpt #: 8 total cpu time spent up to now is 116.3 secs Computing kpt #: 9 total cpu time spent up to now is 125.2 secs Computing kpt #: 10 total cpu time spent up to now is 134.0 secs Computing kpt #: 11 total cpu time spent up to now is 142.9 secs Computing kpt #: 12 total cpu time spent up to now is 151.9 secs Computing kpt #: 13 total cpu time spent up to now is 160.8 secs Computing kpt #: 14 total cpu time spent up to now is 169.8 secs Computing kpt #: 15 total cpu time spent up to now is 178.8 secs Computing kpt #: 16 total cpu time spent up to now is 187.7 secs Computing kpt #: 17 total cpu time spent up to now is 196.7 secs Computing kpt #: 18 total cpu time spent up to now is 205.8 secs Computing kpt #: 19 total cpu time spent up to now is 215.0 secs Computing kpt #: 20 total cpu time spent up to now is 224.5 secs Computing kpt #: 21 total cpu time spent up to now is 234.0 secs Computing kpt #: 22 total cpu time spent up to now is 243.4 secs Computing kpt #: 23 total cpu time spent up to now is 252.7 secs Computing kpt #: 24 total cpu time spent up to now is 261.9 secs Computing kpt #: 25 total cpu time spent up to now is 271.2 secs Computing kpt #: 26 total cpu time spent up to now is 280.3 secs Computing kpt #: 27 total cpu time spent up to now is 289.4 secs Computing kpt #: 28 total cpu time spent up to now is 298.4 secs Computing kpt #: 29 total cpu time spent up to now is 307.4 secs Computing kpt #: 30 total cpu time spent up to now is 316.5 secs Computing kpt #: 31 total cpu time spent up to now is 325.7 secs Computing kpt #: 32 total cpu time spent up to now is 334.7 secs Computing kpt #: 33 total cpu time spent up to now is 343.8 secs Computing kpt #: 34 total cpu time spent up to now is 352.8 secs Computing kpt #: 35 total cpu time spent up to now is 361.8 secs Computing kpt #: 36 total cpu time spent up to now is 370.7 secs Computing kpt #: 37 total cpu time spent up to now is 379.6 secs Computing kpt #: 38 total cpu time spent up to now is 389.8 secs Computing kpt #: 39 total cpu time spent up to now is 398.6 secs Computing kpt #: 40 total cpu time spent up to now is 407.6 secs Computing kpt #: 41 total cpu time spent up to now is 416.6 secs Computing kpt #: 42 total cpu time spent up to now is 425.5 secs Computing kpt #: 43 total cpu time spent up to now is 434.6 secs Computing kpt #: 44 total cpu time spent up to now is 443.5 secs Computing kpt #: 45 total cpu time spent up to now is 452.5 secs Computing kpt #: 46 total cpu time spent up to now is 461.4 secs Computing kpt #: 47 total cpu time spent up to now is 470.4 secs Computing kpt #: 48 total cpu time spent up to now is 479.4 secs Computing kpt #: 49 total cpu time spent up to now is 488.3 secs Computing kpt #: 50 total cpu time spent up to now is 497.1 secs Computing kpt #: 51 total cpu time spent up to now is 506.1 secs Computing kpt #: 52 total cpu time spent up to now is 514.9 secs Computing kpt #: 53 total cpu time spent up to now is 522.9 secs Computing kpt #: 54 total cpu time spent up to now is 530.6 secs Computing kpt #: 55 total cpu time spent up to now is 539.6 secs Computing kpt #: 56 total cpu time spent up to now is 547.2 secs Computing kpt #: 57 total cpu time spent up to now is 554.8 secs Computing kpt #: 58 total cpu time spent up to now is 562.5 secs Computing kpt #: 59 total cpu time spent up to now is 570.4 secs Computing kpt #: 60 total cpu time spent up to now is 578.3 secs Computing kpt #: 61 total cpu time spent up to now is 586.2 secs Computing kpt #: 62 total cpu time spent up to now is 594.2 secs Computing kpt #: 63 total cpu time spent up to now is 603.2 secs Computing kpt #: 64 total cpu time spent up to now is 612.3 secs Computing kpt #: 65 total cpu time spent up to now is 621.6 secs Computing kpt #: 66 total cpu time spent up to now is 631.0 secs Computing kpt #: 67 total cpu time spent up to now is 640.6 secs Computing kpt #: 68 total cpu time spent up to now is 650.3 secs Computing kpt #: 69 total cpu time spent up to now is 659.6 secs Computing kpt #: 70 total cpu time spent up to now is 668.8 secs Computing kpt #: 71 total cpu time spent up to now is 678.2 secs Computing kpt #: 72 total cpu time spent up to now is 688.8 secs Computing kpt #: 73 total cpu time spent up to now is 698.1 secs Computing kpt #: 74 total cpu time spent up to now is 707.6 secs Computing kpt #: 75 total cpu time spent up to now is 717.2 secs Computing kpt #: 76 total cpu time spent up to now is 726.7 secs Computing kpt #: 77 total cpu time spent up to now is 736.2 secs Computing kpt #: 78 total cpu time spent up to now is 745.8 secs Computing kpt #: 79 total cpu time spent up to now is 755.4 secs Computing kpt #: 80 total cpu time spent up to now is 765.0 secs Computing kpt #: 81 total cpu time spent up to now is 774.4 secs Computing kpt #: 82 total cpu time spent up to now is 784.0 secs Computing kpt #: 83 total cpu time spent up to now is 793.6 secs Computing kpt #: 84 total cpu time spent up to now is 803.1 secs Computing kpt #: 85 total cpu time spent up to now is 812.4 secs Computing kpt #: 86 total cpu time spent up to now is 821.8 secs Computing kpt #: 87 total cpu time spent up to now is 831.0 secs Computing kpt #: 88 total cpu time spent up to now is 840.3 secs Computing kpt #: 89 total cpu time spent up to now is 849.5 secs Computing kpt #: 90 total cpu time spent up to now is 858.7 secs Computing kpt #: 91 total cpu time spent up to now is 867.8 secs Computing kpt #: 92 total cpu time spent up to now is 877.2 secs Computing kpt #: 93 total cpu time spent up to now is 886.3 secs Computing kpt #: 94 total cpu time spent up to now is 895.5 secs Computing kpt #: 95 total cpu time spent up to now is 904.7 secs Computing kpt #: 96 total cpu time spent up to now is 914.0 secs Computing kpt #: 97 total cpu time spent up to now is 923.2 secs Computing kpt #: 98 total cpu time spent up to now is 932.5 secs Computing kpt #: 99 total cpu time spent up to now is 941.7 secs Computing kpt #: 100 total cpu time spent up to now is 950.8 secs Computing kpt #: 101 total cpu time spent up to now is 959.8 secs Computing kpt #: 102 total cpu time spent up to now is 968.8 secs Computing kpt #: 103 total cpu time spent up to now is 977.8 secs Computing kpt #: 104 total cpu time spent up to now is 988.1 secs Computing kpt #: 105 total cpu time spent up to now is 997.1 secs Computing kpt #: 106 total cpu time spent up to now is 1006.1 secs Computing kpt #: 107 total cpu time spent up to now is 1015.1 secs Computing kpt #: 108 total cpu time spent up to now is 1024.0 secs Computing kpt #: 109 total cpu time spent up to now is 1033.0 secs Computing kpt #: 110 total cpu time spent up to now is 1041.9 secs Computing kpt #: 111 total cpu time spent up to now is 1050.7 secs Computing kpt #: 112 total cpu time spent up to now is 1059.7 secs Computing kpt #: 113 total cpu time spent up to now is 1068.6 secs Computing kpt #: 114 total cpu time spent up to now is 1077.6 secs Computing kpt #: 115 total cpu time spent up to now is 1086.6 secs Computing kpt #: 116 total cpu time spent up to now is 1095.6 secs Computing kpt #: 117 total cpu time spent up to now is 1104.7 secs Computing kpt #: 118 total cpu time spent up to now is 1113.9 secs Computing kpt #: 119 total cpu time spent up to now is 1123.3 secs Computing kpt #: 120 total cpu time spent up to now is 1132.5 secs Computing kpt #: 121 total cpu time spent up to now is 1141.9 secs Computing kpt #: 122 total cpu time spent up to now is 1151.2 secs Computing kpt #: 123 total cpu time spent up to now is 1160.6 secs Computing kpt #: 124 total cpu time spent up to now is 1170.1 secs Computing kpt #: 125 total cpu time spent up to now is 1179.5 secs Computing kpt #: 126 total cpu time spent up to now is 1188.6 secs Computing kpt #: 127 total cpu time spent up to now is 1197.8 secs Computing kpt #: 128 total cpu time spent up to now is 1206.9 secs Computing kpt #: 129 total cpu time spent up to now is 1216.1 secs Computing kpt #: 130 total cpu time spent up to now is 1225.4 secs Computing kpt #: 131 total cpu time spent up to now is 1234.5 secs Computing kpt #: 132 total cpu time spent up to now is 1243.6 secs Computing kpt #: 133 total cpu time spent up to now is 1252.6 secs Computing kpt #: 134 total cpu time spent up to now is 1261.7 secs Computing kpt #: 135 total cpu time spent up to now is 1270.8 secs Computing kpt #: 136 total cpu time spent up to now is 1279.8 secs Computing kpt #: 137 total cpu time spent up to now is 1290.2 secs Computing kpt #: 138 total cpu time spent up to now is 1299.2 secs Computing kpt #: 139 total cpu time spent up to now is 1308.1 secs Computing kpt #: 140 total cpu time spent up to now is 1317.1 secs Computing kpt #: 141 total cpu time spent up to now is 1326.2 secs Computing kpt #: 142 total cpu time spent up to now is 1335.1 secs Computing kpt #: 143 total cpu time spent up to now is 1344.0 secs Computing kpt #: 144 total cpu time spent up to now is 1352.0 secs Computing kpt #: 145 total cpu time spent up to now is 1359.9 secs Computing kpt #: 146 total cpu time spent up to now is 1367.9 secs Computing kpt #: 147 total cpu time spent up to now is 1375.8 secs Computing kpt #: 148 total cpu time spent up to now is 1383.7 secs Computing kpt #: 149 total cpu time spent up to now is 1391.8 secs Computing kpt #: 150 total cpu time spent up to now is 1400.7 secs Computing kpt #: 151 total cpu time spent up to now is 1409.7 secs Computing kpt #: 152 total cpu time spent up to now is 1419.0 secs Computing kpt #: 153 total cpu time spent up to now is 1428.0 secs Computing kpt #: 154 total cpu time spent up to now is 1437.1 secs Computing kpt #: 155 total cpu time spent up to now is 1446.6 secs Computing kpt #: 156 total cpu time spent up to now is 1455.7 secs Computing kpt #: 157 total cpu time spent up to now is 1464.7 secs Computing kpt #: 158 total cpu time spent up to now is 1473.7 secs Computing kpt #: 159 total cpu time spent up to now is 1482.8 secs Computing kpt #: 160 total cpu time spent up to now is 1491.8 secs Computing kpt #: 161 total cpu time spent up to now is 1501.0 secs Computing kpt #: 162 total cpu time spent up to now is 1510.0 secs Computing kpt #: 163 total cpu time spent up to now is 1519.2 secs Computing kpt #: 164 total cpu time spent up to now is 1528.2 secs Computing kpt #: 165 total cpu time spent up to now is 1537.2 secs Computing kpt #: 166 total cpu time spent up to now is 1546.2 secs Computing kpt #: 167 total cpu time spent up to now is 1555.2 secs Computing kpt #: 168 total cpu time spent up to now is 1564.1 secs Computing kpt #: 169 total cpu time spent up to now is 1573.0 secs Computing kpt #: 170 total cpu time spent up to now is 1581.9 secs Computing kpt #: 171 total cpu time spent up to now is 1592.1 secs Computing kpt #: 172 total cpu time spent up to now is 1601.1 secs Computing kpt #: 173 total cpu time spent up to now is 1610.0 secs Computing kpt #: 174 total cpu time spent up to now is 1619.0 secs Computing kpt #: 175 total cpu time spent up to now is 1628.0 secs Computing kpt #: 176 total cpu time spent up to now is 1637.0 secs Computing kpt #: 177 total cpu time spent up to now is 1646.0 secs Computing kpt #: 178 total cpu time spent up to now is 1655.0 secs Computing kpt #: 179 total cpu time spent up to now is 1662.9 secs Computing kpt #: 180 total cpu time spent up to now is 1671.8 secs Computing kpt #: 181 total cpu time spent up to now is 1679.8 secs Computing kpt #: 182 total cpu time spent up to now is 1688.7 secs Computing kpt #: 183 total cpu time spent up to now is 1697.7 secs Computing kpt #: 184 total cpu time spent up to now is 1706.7 secs Computing kpt #: 185 total cpu time spent up to now is 1715.7 secs Computing kpt #: 186 total cpu time spent up to now is 1724.9 secs Computing kpt #: 187 total cpu time spent up to now is 1734.0 secs Computing kpt #: 188 total cpu time spent up to now is 1743.0 secs Computing kpt #: 189 total cpu time spent up to now is 1752.1 secs Computing kpt #: 190 total cpu time spent up to now is 1761.1 secs Computing kpt #: 191 total cpu time spent up to now is 1770.2 secs Computing kpt #: 192 total cpu time spent up to now is 1779.5 secs Computing kpt #: 193 total cpu time spent up to now is 1788.6 secs Computing kpt #: 194 total cpu time spent up to now is 1797.6 secs Computing kpt #: 195 total cpu time spent up to now is 1806.6 secs Computing kpt #: 196 total cpu time spent up to now is 1815.7 secs Computing kpt #: 197 total cpu time spent up to now is 1824.8 secs Computing kpt #: 198 total cpu time spent up to now is 1834.1 secs Computing kpt #: 199 total cpu time spent up to now is 1843.2 secs Computing kpt #: 200 total cpu time spent up to now is 1852.3 secs Computing kpt #: 201 total cpu time spent up to now is 1861.5 secs Computing kpt #: 202 total cpu time spent up to now is 1871.0 secs Computing kpt #: 203 total cpu time spent up to now is 1880.4 secs Computing kpt #: 204 total cpu time spent up to now is 1891.2 secs Computing kpt #: 205 total cpu time spent up to now is 1900.5 secs Computing kpt #: 206 total cpu time spent up to now is 1909.7 secs Computing kpt #: 207 total cpu time spent up to now is 1918.9 secs Computing kpt #: 208 total cpu time spent up to now is 1928.1 secs Computing kpt #: 209 total cpu time spent up to now is 1937.2 secs Computing kpt #: 210 total cpu time spent up to now is 1946.3 secs Computing kpt #: 211 total cpu time spent up to now is 1955.3 secs Computing kpt #: 212 total cpu time spent up to now is 1964.2 secs Computing kpt #: 213 total cpu time spent up to now is 1973.2 secs Computing kpt #: 214 total cpu time spent up to now is 1982.1 secs Computing kpt #: 215 total cpu time spent up to now is 1991.1 secs Computing kpt #: 216 total cpu time spent up to now is 1999.9 secs Computing kpt #: 217 total cpu time spent up to now is 2008.8 secs Computing kpt #: 218 total cpu time spent up to now is 2017.9 secs Computing kpt #: 219 total cpu time spent up to now is 2026.7 secs Computing kpt #: 220 total cpu time spent up to now is 2035.5 secs Computing kpt #: 221 total cpu time spent up to now is 2044.3 secs Computing kpt #: 222 total cpu time spent up to now is 2053.2 secs Computing kpt #: 223 total cpu time spent up to now is 2062.2 secs Computing kpt #: 224 total cpu time spent up to now is 2071.7 secs Computing kpt #: 225 total cpu time spent up to now is 2081.3 secs Computing kpt #: 226 total cpu time spent up to now is 2090.7 secs Computing kpt #: 227 total cpu time spent up to now is 2100.2 secs Computing kpt #: 228 total cpu time spent up to now is 2109.7 secs Computing kpt #: 229 total cpu time spent up to now is 2119.1 secs Computing kpt #: 230 total cpu time spent up to now is 2128.3 secs Computing kpt #: 231 total cpu time spent up to now is 2137.6 secs Computing kpt #: 232 total cpu time spent up to now is 2146.8 secs Computing kpt #: 233 total cpu time spent up to now is 2155.9 secs Computing kpt #: 234 total cpu time spent up to now is 2165.0 secs Computing kpt #: 235 total cpu time spent up to now is 2174.2 secs Computing kpt #: 236 total cpu time spent up to now is 2183.3 secs Computing kpt #: 237 total cpu time spent up to now is 2195.3 secs Computing kpt #: 238 total cpu time spent up to now is 2204.5 secs Computing kpt #: 239 total cpu time spent up to now is 2213.7 secs Computing kpt #: 240 total cpu time spent up to now is 2222.8 secs Computing kpt #: 241 total cpu time spent up to now is 2232.1 secs Computing kpt #: 242 total cpu time spent up to now is 2241.3 secs Computing kpt #: 243 total cpu time spent up to now is 2250.5 secs Computing kpt #: 244 total cpu time spent up to now is 2259.7 secs Computing kpt #: 245 total cpu time spent up to now is 2268.9 secs Computing kpt #: 246 total cpu time spent up to now is 2278.3 secs Computing kpt #: 247 total cpu time spent up to now is 2287.7 secs Computing kpt #: 248 total cpu time spent up to now is 2296.9 secs Computing kpt #: 249 total cpu time spent up to now is 2306.3 secs Computing kpt #: 250 total cpu time spent up to now is 2315.4 secs Computing kpt #: 251 total cpu time spent up to now is 2324.8 secs Computing kpt #: 252 total cpu time spent up to now is 2333.9 secs Computing kpt #: 253 total cpu time spent up to now is 2343.2 secs Computing kpt #: 254 total cpu time spent up to now is 2352.2 secs Computing kpt #: 255 total cpu time spent up to now is 2361.3 secs Computing kpt #: 256 total cpu time spent up to now is 2370.3 secs Computing kpt #: 257 total cpu time spent up to now is 2379.3 secs Computing kpt #: 258 total cpu time spent up to now is 2388.4 secs Computing kpt #: 259 total cpu time spent up to now is 2397.5 secs Computing kpt #: 260 total cpu time spent up to now is 2406.8 secs Computing kpt #: 261 total cpu time spent up to now is 2416.1 secs Computing kpt #: 262 total cpu time spent up to now is 2425.5 secs Computing kpt #: 263 total cpu time spent up to now is 2434.8 secs Computing kpt #: 264 total cpu time spent up to now is 2444.1 secs Computing kpt #: 265 total cpu time spent up to now is 2453.3 secs Computing kpt #: 266 total cpu time spent up to now is 2462.4 secs Computing kpt #: 267 total cpu time spent up to now is 2471.5 secs Computing kpt #: 268 total cpu time spent up to now is 2480.6 secs Computing kpt #: 269 total cpu time spent up to now is 2490.9 secs Computing kpt #: 270 total cpu time spent up to now is 2499.9 secs Computing kpt #: 271 total cpu time spent up to now is 2509.0 secs Computing kpt #: 272 total cpu time spent up to now is 2517.9 secs Computing kpt #: 273 total cpu time spent up to now is 2527.0 secs Computing kpt #: 274 total cpu time spent up to now is 2536.1 secs Computing kpt #: 275 total cpu time spent up to now is 2545.1 secs Computing kpt #: 276 total cpu time spent up to now is 2554.0 secs Computing kpt #: 277 total cpu time spent up to now is 2563.0 secs Computing kpt #: 278 total cpu time spent up to now is 2572.0 secs Computing kpt #: 279 total cpu time spent up to now is 2581.1 secs Computing kpt #: 280 total cpu time spent up to now is 2590.2 secs Computing kpt #: 281 total cpu time spent up to now is 2599.2 secs Computing kpt #: 282 total cpu time spent up to now is 2608.3 secs Computing kpt #: 283 total cpu time spent up to now is 2617.5 secs Computing kpt #: 284 total cpu time spent up to now is 2626.5 secs Computing kpt #: 285 total cpu time spent up to now is 2635.4 secs Computing kpt #: 286 total cpu time spent up to now is 2644.4 secs Computing kpt #: 287 total cpu time spent up to now is 2653.3 secs Computing kpt #: 288 total cpu time spent up to now is 2662.4 secs Computing kpt #: 289 total cpu time spent up to now is 2671.3 secs Computing kpt #: 290 total cpu time spent up to now is 2680.6 secs Computing kpt #: 291 total cpu time spent up to now is 2689.5 secs Computing kpt #: 292 total cpu time spent up to now is 2698.3 secs Computing kpt #: 293 total cpu time spent up to now is 2707.2 secs Computing kpt #: 294 total cpu time spent up to now is 2716.0 secs Computing kpt #: 295 total cpu time spent up to now is 2724.9 secs Computing kpt #: 296 total cpu time spent up to now is 2733.8 secs Computing kpt #: 297 total cpu time spent up to now is 2742.7 secs Computing kpt #: 298 total cpu time spent up to now is 2751.6 secs Computing kpt #: 299 total cpu time spent up to now is 2760.4 secs Computing kpt #: 300 total cpu time spent up to now is 2769.4 secs Computing kpt #: 301 total cpu time spent up to now is 2778.4 secs Computing kpt #: 302 total cpu time spent up to now is 2788.7 secs Computing kpt #: 303 total cpu time spent up to now is 2797.7 secs Computing kpt #: 304 total cpu time spent up to now is 2806.8 secs Computing kpt #: 305 total cpu time spent up to now is 2815.9 secs Computing kpt #: 306 total cpu time spent up to now is 2825.0 secs Computing kpt #: 307 total cpu time spent up to now is 2834.2 secs Computing kpt #: 308 total cpu time spent up to now is 2843.5 secs Computing kpt #: 309 total cpu time spent up to now is 2852.9 secs Computing kpt #: 310 total cpu time spent up to now is 2862.2 secs Computing kpt #: 311 total cpu time spent up to now is 2871.6 secs Computing kpt #: 312 total cpu time spent up to now is 2880.8 secs Computing kpt #: 313 total cpu time spent up to now is 2889.9 secs Computing kpt #: 314 total cpu time spent up to now is 2898.8 secs Computing kpt #: 315 total cpu time spent up to now is 2908.0 secs Computing kpt #: 316 total cpu time spent up to now is 2917.1 secs Computing kpt #: 317 total cpu time spent up to now is 2926.0 secs Computing kpt #: 318 total cpu time spent up to now is 2935.0 secs Computing kpt #: 319 total cpu time spent up to now is 2943.9 secs Computing kpt #: 320 total cpu time spent up to now is 2952.7 secs Computing kpt #: 321 total cpu time spent up to now is 2961.7 secs Computing kpt #: 322 total cpu time spent up to now is 2970.8 secs Computing kpt #: 323 total cpu time spent up to now is 2979.8 secs Computing kpt #: 324 total cpu time spent up to now is 2988.7 secs Computing kpt #: 325 total cpu time spent up to now is 2997.7 secs Computing kpt #: 326 total cpu time spent up to now is 3006.7 secs Computing kpt #: 327 total cpu time spent up to now is 3015.7 secs Computing kpt #: 328 total cpu time spent up to now is 3024.7 secs Computing kpt #: 329 total cpu time spent up to now is 3033.6 secs Computing kpt #: 330 total cpu time spent up to now is 3042.6 secs Computing kpt #: 331 total cpu time spent up to now is 3050.2 secs Computing kpt #: 332 total cpu time spent up to now is 3057.9 secs Computing kpt #: 333 total cpu time spent up to now is 3065.6 secs Computing kpt #: 334 total cpu time spent up to now is 3073.4 secs Computing kpt #: 335 total cpu time spent up to now is 3082.2 secs Computing kpt #: 336 total cpu time spent up to now is 3093.9 secs Computing kpt #: 337 total cpu time spent up to now is 3102.7 secs Computing kpt #: 338 total cpu time spent up to now is 3111.7 secs Computing kpt #: 339 total cpu time spent up to now is 3120.7 secs ethr = 2.50E-11, avg # of iterations = 24.5 total cpu time spent up to now is 3120.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4103 PWs) bands (ev): -7.9184 -7.9184 -7.5759 -7.5759 -6.1871 -6.1871 -3.5915 -3.5915 -2.0518 -2.0518 0.8293 0.8293 2.0049 2.0049 4.5662 4.5662 5.0782 5.0782 5.2907 5.2907 5.3046 5.3046 5.6443 5.6443 5.6579 5.6579 6.0546 6.0546 6.0627 6.0627 8.3621 8.3621 8.7907 8.7907 8.8021 8.8021 9.4037 9.4037 9.4125 9.4125 9.8441 9.8441 11.3019 11.3019 11.6545 11.6545 13.3440 13.3440 k = 0.0089-0.0362-0.0211 ( 4108 PWs) bands (ev): -7.9176 -7.9176 -7.5751 -7.5751 -6.1860 -6.1860 -3.5904 -3.5904 -2.0509 -2.0509 0.8303 0.8303 2.0059 2.0059 4.5655 4.5656 5.0734 5.0740 5.2898 5.2908 5.3041 5.3041 5.6417 5.6422 5.6558 5.6558 6.0502 6.0502 6.0595 6.0595 8.3616 8.3616 8.7877 8.7877 8.7994 8.7994 9.3995 9.3995 9.4100 9.4100 9.8488 9.8489 11.3077 11.3078 11.6567 11.6568 13.3417 13.3418 k = 0.0179-0.0724-0.0422 ( 4106 PWs) bands (ev): -7.9152 -7.9151 -7.5728 -7.5727 -6.1827 -6.1827 -3.5871 -3.5871 -2.0479 -2.0479 0.8332 0.8332 2.0089 2.0089 4.5635 4.5636 5.0597 5.0609 5.2880 5.2897 5.3025 5.3027 5.6334 5.6344 5.6506 5.6507 6.0334 6.0335 6.0536 6.0536 8.3601 8.3601 8.7775 8.7776 8.7928 8.7929 9.3826 9.3826 9.4070 9.4070 9.8626 9.8627 11.3250 11.3251 11.6635 11.6636 13.3275 13.3277 k = 0.0268-0.1086-0.0633 ( 4100 PWs) bands (ev): -7.9111 -7.9111 -7.5689 -7.5688 -6.1773 -6.1772 -3.5816 -3.5816 -2.0430 -2.0430 0.8379 0.8380 2.0139 2.0140 4.5599 4.5601 5.0378 5.0394 5.2847 5.2868 5.2996 5.3003 5.6177 5.6191 5.6442 5.6444 6.0043 6.0043 6.0458 6.0458 8.3570 8.3571 8.7591 8.7591 8.7841 8.7841 9.3539 9.3539 9.4042 9.4042 9.8841 9.8843 11.3531 11.3532 11.6745 11.6747 13.2991 13.2993 k = 0.0357-0.1449-0.0845 ( 4101 PWs) bands (ev): -7.9055 -7.9054 -7.5634 -7.5633 -6.1696 -6.1696 -3.5739 -3.5739 -2.0361 -2.0361 0.8446 0.8447 2.0210 2.0210 4.5547 4.5549 5.0083 5.0101 5.2797 5.2818 5.2951 5.2963 5.5947 5.5965 5.6368 5.6370 5.9648 5.9649 6.0354 6.0354 8.3514 8.3514 8.7337 8.7337 8.7731 8.7731 9.3155 9.3156 9.4007 9.4007 9.9117 9.9119 11.3913 11.3914 11.6897 11.6899 13.2601 13.2603 k = 0.0446-0.1811-0.1056 ( 4090 PWs) bands (ev): -7.8982 -7.8981 -7.5563 -7.5562 -6.1598 -6.1598 -3.5640 -3.5640 -2.0273 -2.0273 0.8532 0.8533 2.0300 2.0301 4.5474 4.5476 4.9718 4.9738 5.2726 5.2747 5.2879 5.2897 5.5649 5.5670 5.6278 5.6280 5.9172 5.9174 6.0225 6.0225 8.3415 8.3415 8.7035 8.7035 8.7596 8.7596 9.2691 9.2692 9.3963 9.3963 9.9440 9.9443 11.4379 11.4381 11.7086 11.7090 13.2131 13.2134 k = 0.0536-0.2173-0.1267 ( 4088 PWs) bands (ev): -7.8893 -7.8892 -7.5478 -7.5476 -6.1478 -6.1478 -3.5518 -3.5518 -2.0165 -2.0165 0.8636 0.8637 2.0410 2.0411 4.5376 4.5379 4.9290 4.9311 5.2631 5.2655 5.2771 5.2790 5.5283 5.5307 5.6172 5.6174 5.8643 5.8646 6.0070 6.0070 8.3252 8.3252 8.6712 8.6713 8.7436 8.7436 9.2155 9.2156 9.3908 9.3908 9.9801 9.9804 11.4912 11.4915 11.7312 11.7317 13.1611 13.1614 k = 0.0625-0.2535-0.1478 ( 4085 PWs) bands (ev): -7.8789 -7.8787 -7.5376 -7.5375 -6.1337 -6.1337 -3.5375 -3.5375 -2.0038 -2.0038 0.8759 0.8760 2.0539 2.0540 4.5247 4.5251 4.8807 4.8828 5.2505 5.2540 5.2623 5.2632 5.4842 5.4866 5.6049 5.6050 5.8101 5.8105 5.9891 5.9891 8.2996 8.2996 8.6401 8.6402 8.7251 8.7251 9.1556 9.1557 9.3842 9.3843 10.0191 10.0194 11.5482 11.5486 11.7576 11.7581 13.1070 13.1074 k = 0.0714-0.2897-0.1689 ( 4086 PWs) bands (ev): -7.8669 -7.8667 -7.5260 -7.5259 -6.1174 -6.1174 -3.5211 -3.5211 -1.9892 -1.9892 0.8901 0.8902 2.0687 2.0688 4.5078 4.5083 4.8275 4.8296 5.2306 5.2356 5.2454 5.2460 5.4314 5.4336 5.5908 5.5908 5.7592 5.7598 5.9690 5.9690 8.2620 8.2621 8.6132 8.6133 8.7043 8.7043 9.0898 9.0899 9.3766 9.3766 10.0603 10.0606 11.6045 11.6050 11.7887 11.7894 13.0542 13.0546 k = 0.0804-0.3259-0.1900 ( 4081 PWs) bands (ev): -7.8534 -7.8532 -7.5129 -7.5127 -6.0990 -6.0989 -3.5024 -3.5024 -1.9727 -1.9727 0.9060 0.9062 2.0854 2.0855 4.4857 4.4864 4.7703 4.7724 5.1996 5.2041 5.2302 5.2305 5.3691 5.3708 5.5750 5.5750 5.7161 5.7170 5.9468 5.9469 8.2110 8.2110 8.5924 8.5925 8.6813 8.6813 9.0187 9.0189 9.3678 9.3678 10.1032 10.1036 11.6536 11.6541 11.8273 11.8280 13.0064 13.0068 k = 0.0893-0.3621-0.2111 ( 4075 PWs) bands (ev): -7.8383 -7.8381 -7.4983 -7.4981 -6.0784 -6.0783 -3.4816 -3.4816 -1.9543 -1.9543 0.9237 0.9239 2.1038 2.1039 4.4570 4.4579 4.7100 4.7122 5.1569 5.1605 5.2145 5.2146 5.2995 5.3006 5.5574 5.5575 5.6833 5.6844 5.9229 5.9229 8.1469 8.1469 8.5777 8.5778 8.6563 8.6563 8.9427 8.9429 9.3579 9.3579 10.1473 10.1477 11.6882 11.6887 11.8758 11.8764 12.9679 12.9684 k = 0.0982-0.3984-0.2323 ( 4074 PWs) bands (ev): -7.8218 -7.8215 -7.4822 -7.4820 -6.0556 -6.0556 -3.4587 -3.4587 -1.9341 -1.9341 0.9432 0.9434 2.1240 2.1241 4.4200 4.4212 4.6476 4.6499 5.0987 5.1012 5.1973 5.1973 5.2296 5.2297 5.5383 5.5384 5.6608 5.6619 5.8973 5.8973 8.0713 8.0713 8.5679 8.5680 8.6294 8.6294 8.8623 8.8626 9.3468 9.3468 10.1920 10.1925 11.7046 11.7050 11.9331 11.9336 12.9430 12.9435 k = 0.1071-0.4346-0.2534 ( 4078 PWs) bands (ev): -7.8038 -7.8035 -7.4648 -7.4645 -6.0308 -6.0307 -3.4336 -3.4336 -1.9121 -1.9121 0.9643 0.9645 2.1458 2.1460 4.3733 4.3746 4.5835 4.5858 5.0211 5.0224 5.1658 5.1667 5.1798 5.1798 5.5176 5.5177 5.6468 5.6479 5.8704 5.8704 7.9862 7.9862 8.5613 8.5615 8.6010 8.6010 8.7780 8.7783 9.3346 9.3346 10.2371 10.2376 11.7025 11.7028 11.9944 11.9948 12.9356 12.9362 k = 0.1161-0.4708-0.2745 ( 4072 PWs) bands (ev): -7.7843 -7.7841 -7.4459 -7.4457 -6.0038 -6.0037 -3.4065 -3.4064 -1.8883 -1.8883 0.9871 0.9873 2.1692 2.1694 4.3161 4.3176 4.5173 4.5197 4.9264 4.9270 5.1136 5.1150 5.1597 5.1597 5.4954 5.4955 5.6393 5.6403 5.8423 5.8423 7.8936 7.8936 8.5562 8.5565 8.5711 8.5712 8.6906 8.6910 9.3212 9.3212 10.2819 10.2824 11.6829 11.6832 12.0550 12.0554 12.9483 12.9490 k = 0.1250-0.5070-0.2956 ( 4076 PWs) bands (ev): -7.7635 -7.7632 -7.4257 -7.4254 -5.9747 -5.9747 -3.3772 -3.3772 -1.8628 -1.8628 1.0115 1.0117 2.1940 2.1942 4.2487 4.2504 4.4473 4.4498 4.8218 4.8220 5.0689 5.0704 5.1387 5.1387 5.4717 5.4718 5.6365 5.6374 5.8132 5.8132 7.7949 7.7949 8.5392 8.5394 8.5495 8.5502 8.6029 8.6039 9.3067 9.3067 10.3259 10.3264 11.6473 11.6475 12.1117 12.1121 12.9815 12.9824 k = 0.1339-0.5432-0.3167 ( 4080 PWs) bands (ev): -7.7413 -7.7410 -7.4041 -7.4038 -5.9435 -5.9435 -3.3459 -3.3458 -1.8356 -1.8356 1.0375 1.0377 2.2201 2.2203 4.1723 4.1740 4.3714 4.3738 4.7132 4.7133 5.0302 5.0316 5.1165 5.1166 5.4467 5.4468 5.6369 5.6377 5.7834 5.7834 7.6914 7.6914 8.4972 8.4980 8.5071 8.5073 8.5582 8.5590 9.2912 9.2912 10.3688 10.3693 11.5974 11.5977 12.1627 12.1630 13.0336 13.0346 k = 0.1429-0.5794-0.3378 ( 4080 PWs) bands (ev): -7.7179 -7.7176 -7.3812 -7.3809 -5.9103 -5.9103 -3.3125 -3.3125 -1.8067 -1.8067 1.0648 1.0650 2.2474 2.2475 4.0881 4.0899 4.2873 4.2897 4.6047 4.6047 4.9965 4.9978 5.0932 5.0933 5.4205 5.4205 5.6394 5.6401 5.7531 5.7531 7.5841 7.5841 8.4046 8.4048 8.4737 8.4737 8.5522 8.5525 9.2746 9.2746 10.4099 10.4104 11.5360 11.5363 12.2066 12.2069 13.1011 13.1022 k = 0.1518-0.6156-0.3589 ( 4079 PWs) bands (ev): -7.6931 -7.6928 -7.3571 -7.3568 -5.8750 -5.8750 -3.2771 -3.2771 -1.7763 -1.7762 1.0936 1.0938 2.2755 2.2756 3.9970 3.9988 4.1943 4.1966 4.4988 4.4989 4.9673 4.9683 5.0688 5.0689 5.3931 5.3931 5.6432 5.6439 5.7224 5.7224 7.4739 7.4740 8.3074 8.3075 8.4395 8.4395 8.5479 8.5481 9.2571 9.2571 10.4487 10.4492 11.4659 11.4662 12.2425 12.2429 13.1794 13.1807 k = 0.1607-0.6519-0.3801 ( 4084 PWs) bands (ev): -7.6672 -7.6668 -7.3318 -7.3315 -5.8377 -5.8376 -3.2397 -3.2397 -1.7443 -1.7442 1.1235 1.1238 2.3042 2.3043 3.8993 3.9011 4.0931 4.0953 4.3970 4.3971 4.9418 4.9426 5.0434 5.0434 5.3648 5.3648 5.6476 5.6482 5.6914 5.6915 7.3618 7.3618 8.2085 8.2086 8.4046 8.4046 8.5432 8.5434 9.2387 9.2387 10.4844 10.4849 11.3897 11.3900 12.2693 12.2698 13.2622 13.2642 k = 0.1696-0.6881-0.4012 ( 4082 PWs) bands (ev): -7.6401 -7.6397 -7.3054 -7.3050 -5.7983 -5.7983 -3.2003 -3.2003 -1.7108 -1.7107 1.1547 1.1549 2.3331 2.3332 3.7949 3.7967 3.9866 3.9887 4.2992 4.2993 4.9191 4.9198 5.0170 5.0170 5.3356 5.3356 5.6515 5.6525 5.6605 5.6610 7.2484 7.2484 8.1088 8.1088 8.3692 8.3692 8.5376 8.5377 9.2195 9.2195 10.5160 10.5164 11.3102 11.3105 12.2857 12.2862 13.3344 13.3378 k = 0.1786-0.7243-0.4223 ( 4075 PWs) bands (ev): -7.6118 -7.6115 -7.2778 -7.2775 -5.7570 -5.7569 -3.1590 -3.1590 -1.6759 -1.6758 1.1869 1.1871 2.3616 2.3617 3.6835 3.6852 3.8783 3.8802 4.2046 4.2048 4.8984 4.8990 4.9897 4.9898 5.3057 5.3057 5.6292 5.6294 5.6561 5.6563 7.1346 7.1346 8.0087 8.0088 8.3333 8.3333 8.5307 8.5308 9.1996 9.1996 10.5421 10.5425 11.2301 11.2305 12.2902 12.2907 13.3323 13.3353 k = 0.1875-0.7605-0.4434 ( 4073 PWs) bands (ev): -7.5826 -7.5822 -7.2492 -7.2489 -5.7136 -5.7136 -3.1158 -3.1158 -1.6396 -1.6396 1.2199 1.2201 2.3889 2.3890 3.5653 3.5669 3.7711 3.7728 4.1127 4.1129 4.8788 4.8793 4.9616 4.9617 5.2753 5.2753 5.5985 5.5986 5.6587 5.6589 7.0210 7.0210 7.9091 7.9092 8.2972 8.2972 8.5226 8.5226 9.1790 9.1790 10.5607 10.5610 11.1525 11.1530 12.2811 12.2817 13.2649 13.2664 k = 0.1964-0.7967-0.4645 ( 4077 PWs) bands (ev): -7.5523 -7.5519 -7.2197 -7.2193 -5.6684 -5.6684 -3.0708 -3.0708 -1.6021 -1.6021 1.2536 1.2538 2.4140 2.4141 3.4417 3.4431 3.6670 3.6684 4.0229 4.0232 4.8594 4.8599 4.9328 4.9328 5.2445 5.2445 5.5680 5.5680 5.6597 5.6599 6.9083 6.9083 7.8104 7.8105 8.2609 8.2609 8.5130 8.5131 9.1578 9.1578 10.5684 10.5686 11.0815 11.0822 12.2576 12.2581 13.1926 13.1935 k = 0.2054-0.8329-0.4856 ( 4072 PWs) bands (ev): -7.5212 -7.5208 -7.1892 -7.1888 -5.6212 -5.6212 -3.0239 -3.0239 -1.5635 -1.5634 1.2877 1.2880 2.4350 2.4350 3.3152 3.3164 3.5667 3.5679 3.9354 3.9356 4.8395 4.8399 4.9033 4.9033 5.2135 5.2135 5.5377 5.5378 5.6585 5.6587 6.7974 6.7974 7.7133 7.7135 8.2247 8.2247 8.5020 8.5020 9.1362 9.1362 10.5609 10.5610 11.0221 11.0228 12.2193 12.2198 13.1254 13.1260 k = 0.2143-0.8691-0.5067 ( 4077 PWs) bands (ev): -7.4892 -7.4888 -7.1578 -7.1574 -5.5722 -5.5722 -2.9753 -2.9753 -1.5237 -1.5237 1.3221 1.3223 2.4490 2.4490 3.1892 3.1903 3.4705 3.4717 3.8502 3.8505 4.8184 4.8187 4.8733 4.8733 5.1825 5.1825 5.5079 5.5079 5.6545 5.6547 6.6890 6.6890 7.6184 7.6186 8.1885 8.1885 8.4894 8.4894 9.1141 9.1141 10.5340 10.5341 10.9788 10.9797 12.1672 12.1677 13.0643 13.0648 k = 0.2232-0.9054-0.5278 ( 4074 PWs) bands (ev): -7.4565 -7.4560 -7.1257 -7.1253 -5.5214 -5.5213 -2.9249 -2.9249 -1.4831 -1.4830 1.3563 1.3566 2.4513 2.4514 3.0686 3.0697 3.3790 3.3802 3.7680 3.7682 4.7953 4.7956 4.8427 4.8427 5.1515 5.1515 5.4784 5.4784 5.6472 5.6473 6.5838 6.5838 7.5265 7.5267 8.1525 8.1525 8.4752 8.4752 9.0918 9.0918 10.4867 10.4868 10.9531 10.9541 12.1032 12.1037 13.0084 13.0088 k = 0.2321-0.9416-0.5490 ( 4076 PWs) bands (ev): -7.4230 -7.4226 -7.0929 -7.0924 -5.4687 -5.4687 -2.8729 -2.8729 -1.4415 -1.4415 1.3902 1.3904 2.4347 2.4348 2.9601 2.9612 3.2932 3.2944 3.6895 3.6898 4.7696 4.7699 4.8118 4.8118 5.1207 5.1208 5.4494 5.4495 5.6359 5.6359 6.4825 6.4825 7.4382 7.4383 8.1168 8.1168 8.4595 8.4595 9.0692 9.0692 10.4222 10.4225 10.9421 10.9432 12.0298 12.0303 12.9557 12.9561 k = 0.2411-0.9778-0.5701 ( 4081 PWs) bands (ev): -7.3890 -7.3885 -7.0594 -7.0590 -5.4143 -5.4143 -2.8193 -2.8193 -1.3993 -1.3993 1.4231 1.4233 2.3907 2.3909 2.8706 2.8718 3.2147 3.2162 3.6159 3.6161 4.7407 4.7409 4.7807 4.7807 5.0903 5.0903 5.4210 5.4210 5.6199 5.6200 6.3859 6.3859 7.3541 7.3543 8.0815 8.0815 8.4422 8.4422 9.0465 9.0465 10.3459 10.3461 10.9409 10.9419 11.9496 11.9501 12.9045 12.9049 k = 0.2500-1.0140-0.5912 ( 4072 PWs) bands (ev): -7.3545 -7.3540 -7.0255 -7.0250 -5.3583 -5.3582 -2.7641 -2.7641 -1.3566 -1.3565 1.4546 1.4548 2.3152 2.3153 2.8014 2.8029 3.1461 3.1478 3.5486 3.5488 4.7082 4.7084 4.7493 4.7494 5.0604 5.0604 5.3931 5.3931 5.5989 5.5989 6.2946 6.2946 7.2751 7.2753 8.0467 8.0467 8.4233 8.4233 9.0237 9.0237 10.2621 10.2623 10.9452 10.9463 11.8649 11.8654 12.8534 12.8537 k = 0.2589-1.0502-0.6123 ( 4072 PWs) bands (ev): -7.3196 -7.3191 -6.9911 -6.9906 -5.3006 -5.3005 -2.7075 -2.7075 -1.3134 -1.3133 1.4840 1.4842 2.2131 2.2132 2.7447 2.7464 3.0896 3.0915 3.4893 3.4895 4.6717 4.6718 4.7180 4.7180 5.0310 5.0310 5.3657 5.3658 5.5722 5.5722 6.2092 6.2092 7.2016 7.2017 8.0124 8.0124 8.4029 8.4029 9.0010 9.0010 10.1739 10.1741 10.9523 10.9533 11.7778 11.7783 12.8013 12.8016 k = 0.2679-1.0864-0.6334 ( 4065 PWs) bands (ev): -7.2843 -7.2838 -6.9563 -6.9558 -5.2413 -5.2413 -2.6495 -2.6495 -1.2700 -1.2699 1.5104 1.5105 2.0940 2.0941 2.6897 2.6915 3.0458 3.0478 3.4402 3.4404 4.6310 4.6312 4.6867 4.6867 5.0022 5.0022 5.3391 5.3391 5.5396 5.5396 6.1300 6.1300 7.1341 7.1343 7.9788 7.9788 8.3810 8.3810 8.9784 8.9784 10.0833 10.0835 10.9605 10.9615 11.6899 11.6904 12.7479 12.7482 k = 0.2768-1.1226-0.6545 ( 4067 PWs) bands (ev): -7.2489 -7.2484 -6.9213 -6.9208 -5.1806 -5.1806 -2.5902 -2.5901 -1.2266 -1.2265 1.5322 1.5323 1.9665 1.9665 2.6303 2.6322 3.0120 3.0140 3.4033 3.4036 4.5863 4.5864 4.6556 4.6556 4.9742 4.9742 5.3131 5.3131 5.5010 5.5010 6.0571 6.0572 7.0731 7.0732 7.9459 7.9459 8.3576 8.3576 8.9560 8.9560 9.9915 9.9917 10.9687 10.9697 11.6024 11.6028 12.6931 12.6934 k = 0.2857-1.1589-0.6756 ( 4064 PWs) bands (ev): -7.2133 -7.2128 -6.8862 -6.8857 -5.1185 -5.1185 -2.5297 -2.5296 -1.1833 -1.1833 1.5460 1.5461 1.8378 1.8379 2.5658 2.5676 2.9838 2.9855 3.3798 3.3802 4.5379 4.5380 4.6248 4.6248 4.9469 4.9469 5.2877 5.2877 5.4565 5.4566 5.9906 5.9906 7.0185 7.0187 7.9138 7.9138 8.3328 8.3329 8.9339 8.9339 9.8995 9.8997 10.9764 10.9773 11.5162 11.5167 12.6371 12.6374 k = 0.2946-1.1951-0.6968 ( 4066 PWs) bands (ev): -7.1778 -7.1773 -6.8510 -6.8506 -5.0551 -5.0551 -2.4680 -2.4680 -1.1405 -1.1404 1.5406 1.5407 1.7216 1.7216 2.4980 2.4997 2.9577 2.9591 3.3694 3.3699 4.4864 4.4865 4.5944 4.5944 4.9204 4.9204 5.2631 5.2631 5.4066 5.4067 5.9299 5.9299 6.9704 6.9706 7.8826 7.8826 8.3067 8.3067 8.9122 8.9122 9.8080 9.8082 10.9830 10.9840 11.4322 11.4328 12.5804 12.5806 k = 0.3036-1.2313-0.7179 ( 4064 PWs) bands (ev): -7.1424 -7.1419 -6.8160 -6.8155 -4.9905 -4.9905 -2.4054 -2.4053 -1.0983 -1.0982 1.4812 1.4813 1.6534 1.6535 2.4287 2.4302 2.9327 2.9337 3.3698 3.3705 4.4329 4.4330 4.5646 4.5646 4.8948 4.8948 5.2393 5.2393 5.3519 5.3520 5.8747 5.8747 6.9286 6.9288 7.8523 7.8523 8.2793 8.2794 8.8908 8.8908 9.7175 9.7176 10.9885 10.9895 11.3511 11.3517 12.5233 12.5235 k = 0.3125-1.2675-0.7390 ( 4060 PWs) bands (ev): -7.1072 -7.1067 -6.7812 -6.7807 -4.9249 -4.9248 -2.3419 -2.3418 -1.0570 -1.0569 1.3672 1.3673 1.6347 1.6348 2.3595 2.3609 2.9094 2.9101 3.3781 3.3789 4.3786 4.3787 4.5354 4.5354 4.8701 4.8702 5.2163 5.2163 5.2932 5.2933 5.8242 5.8242 6.8925 6.8927 7.8229 7.8229 8.2508 8.2508 8.8700 8.8700 9.6284 9.6286 10.9924 10.9935 11.2733 11.2739 12.4662 12.4664 k = 0.3214-1.3037-0.7601 ( 4054 PWs) bands (ev): -7.0725 -7.0720 -6.7467 -6.7462 -4.8583 -4.8583 -2.2776 -2.2776 -1.0168 -1.0167 1.2368 1.2369 1.6275 1.6276 2.2913 2.2926 2.8892 2.8896 3.3908 3.3917 4.3251 4.3252 4.5070 4.5070 4.8464 4.8464 5.1940 5.1941 5.2315 5.2315 5.7778 5.7778 6.8617 6.8619 7.7946 7.7946 8.2211 8.2211 8.8497 8.8497 9.5413 9.5414 10.9944 10.9957 11.1995 11.2004 12.4098 12.4099 k = 0.3304-1.3399-0.7812 ( 4053 PWs) bands (ev): -7.0382 -7.0377 -6.7126 -6.7121 -4.7910 -4.7910 -2.2128 -2.2128 -0.9781 -0.9780 1.1031 1.1032 1.6194 1.6195 2.2251 2.2261 2.8731 2.8732 3.4050 3.4060 4.2740 4.2741 4.4793 4.4793 4.8237 4.8237 5.1670 5.1674 5.1730 5.1733 5.7347 5.7347 6.8356 6.8358 7.7674 7.7674 8.1903 8.1904 8.8301 8.8301 9.4565 9.4566 10.9935 10.9950 11.1311 11.1322 12.3543 12.3544 k = 0.3393-1.3761-0.8023 ( 4044 PWs) bands (ev): -7.0045 -7.0041 -6.6792 -6.6787 -4.7231 -4.7231 -2.1476 -2.1475 -0.9412 -0.9411 0.9697 0.9697 1.6075 1.6077 2.1611 2.1621 2.8612 2.8614 3.4180 3.4192 4.2272 4.2273 4.4527 4.4527 4.8019 4.8019 5.1028 5.1029 5.1523 5.1524 5.6943 5.6943 6.8136 6.8137 7.7413 7.7413 8.1587 8.1587 8.8111 8.8111 9.3744 9.3745 10.9859 10.9879 11.0719 11.0735 12.3002 12.3003 k = 0.3482-1.4124-0.8234 ( 4046 PWs) bands (ev): -6.9717 -6.9712 -6.6465 -6.6460 -4.6549 -4.6549 -2.0821 -2.0821 -0.9063 -0.9062 0.8379 0.8380 1.5915 1.5916 2.0999 2.1006 2.8536 2.8541 3.4279 3.4291 4.1864 4.1865 4.4270 4.4270 4.7812 4.7812 5.0383 5.0384 5.1328 5.1328 5.6558 5.6558 6.7950 6.7952 7.7164 7.7164 8.1262 8.1263 8.7928 8.7928 9.2954 9.2955 10.9603 10.9622 11.0341 11.0356 12.2477 12.2478 k = 0.3571-1.4486-0.8446 ( 4045 PWs) bands (ev): -6.9397 -6.9392 -6.6146 -6.6142 -4.5866 -4.5865 -2.0166 -2.0166 -0.8739 -0.8738 0.7088 0.7088 1.5717 1.5718 2.0416 2.0422 2.8497 2.8503 3.4331 3.4344 4.1530 4.1531 4.4024 4.4024 4.7616 4.7616 4.9754 4.9755 5.1143 5.1143 5.6188 5.6188 6.7794 6.7796 7.6927 7.6927 8.0931 8.0931 8.7753 8.7753 9.2198 9.2199 10.9144 10.9155 11.0203 11.0211 12.1973 12.1974 k = 0.3661-1.4848-0.8657 ( 4046 PWs) bands (ev): -6.9088 -6.9083 -6.5838 -6.5834 -4.5184 -4.5184 -1.9514 -1.9513 -0.8441 -0.8440 0.5828 0.5828 1.5488 1.5489 1.9864 1.9869 2.8483 2.8491 3.4329 3.4342 4.1276 4.1277 4.3790 4.3790 4.7430 4.7430 4.9153 4.9154 5.0967 5.0967 5.5827 5.5828 6.7663 6.7664 7.6703 7.6703 8.0593 8.0594 8.7587 8.7587 9.1480 9.1481 10.8631 10.8639 11.0147 11.0151 12.1490 12.1491 k = 0.3750-1.5210-0.8868 ( 4041 PWs) bands (ev): -6.8790 -6.8786 -6.5541 -6.5537 -4.4507 -4.4507 -1.8865 -1.8865 -0.8173 -0.8172 0.4607 0.4607 1.5237 1.5238 1.9345 1.9348 2.8483 2.8492 3.4275 3.4289 4.1101 4.1102 4.3568 4.3568 4.7255 4.7255 4.8593 4.8594 5.0801 5.0801 5.5472 5.5472 6.7552 6.7553 7.6491 7.6491 8.0252 8.0253 8.7429 8.7429 9.0804 9.0804 10.8132 10.8137 11.0109 11.0112 12.1033 12.1033 k = 0.3839-1.5572-0.9079 ( 4035 PWs) bands (ev): -6.8506 -6.8502 -6.5257 -6.5253 -4.3838 -4.3838 -1.8224 -1.8224 -0.7939 -0.7938 0.3429 0.3429 1.4974 1.4974 1.8859 1.8861 2.8484 2.8494 3.4178 3.4192 4.0995 4.0996 4.3359 4.3359 4.7091 4.7092 4.8088 4.8089 5.0645 5.0645 5.5119 5.5119 6.7459 6.7460 7.6293 7.6293 7.9909 7.9910 8.7280 8.7280 9.0170 9.0171 10.7661 10.7665 11.0076 11.0077 12.0601 12.0601 k = 0.3929-1.5934-0.9290 ( 4041 PWs) bands (ev): -6.8236 -6.8232 -6.4988 -6.4984 -4.3182 -4.3182 -1.7594 -1.7593 -0.7739 -0.7738 0.2300 0.2300 1.4707 1.4707 1.8407 1.8409 2.8475 2.8485 3.4053 3.4066 4.0942 4.0943 4.3164 4.3164 4.6939 4.6940 4.7649 4.7650 5.0500 5.0500 5.4768 5.4768 6.7380 6.7381 7.6109 7.6109 7.9566 7.9567 8.7141 8.7141 8.9583 8.9584 10.7225 10.7228 11.0042 11.0043 12.0197 12.0197 k = 0.4018-1.6296-0.9501 ( 4037 PWs) bands (ev): -6.7982 -6.7978 -6.4734 -6.4730 -4.2543 -4.2542 -1.6978 -1.6977 -0.7576 -0.7575 0.1228 0.1228 1.4443 1.4443 1.7990 1.7991 2.8449 2.8459 3.3912 3.3924 4.0927 4.0927 4.2982 4.2982 4.6798 4.6799 4.7284 4.7285 5.0366 5.0366 5.4418 5.4418 6.7313 6.7314 7.5938 7.5938 7.9227 7.9228 8.7012 8.7012 8.9044 8.9044 10.6825 10.6828 11.0008 11.0009 11.9821 11.9821 k = 0.4107-1.6659-0.9712 ( 4032 PWs) bands (ev): -6.7745 -6.7741 -6.4497 -6.4493 -4.1925 -4.1925 -1.6380 -1.6379 -0.7452 -0.7451 0.0217 0.0217 1.4189 1.4190 1.7608 1.7608 2.8404 2.8414 3.3763 3.3774 4.0935 4.0935 4.2815 4.2815 4.6669 4.6670 4.6998 4.6998 5.0243 5.0243 5.4071 5.4071 6.7256 6.7257 7.5781 7.5781 7.8895 7.8896 8.6892 8.6892 8.8553 8.8554 10.6462 10.6464 10.9973 10.9974 11.9476 11.9476 k = 0.4196-1.7021-0.9924 ( 4031 PWs) bands (ev): -6.7526 -6.7523 -6.4278 -6.4275 -4.1335 -4.1335 -1.5804 -1.5804 -0.7367 -0.7366 -0.0724 -0.0724 1.3950 1.3951 1.7259 1.7260 2.8342 2.8352 3.3610 3.3620 4.0961 4.0961 4.2662 4.2662 4.6552 4.6553 4.6787 4.6788 5.0131 5.0131 5.3729 5.3730 6.7207 6.7208 7.5638 7.5638 7.8574 7.8575 8.6784 8.6784 8.8112 8.8113 10.6136 10.6138 10.9938 10.9939 11.9162 11.9162 k = 0.4286-1.7383-1.0135 ( 4038 PWs) bands (ev): -6.7327 -6.7324 -6.4078 -6.4076 -4.0780 -4.0780 -1.5257 -1.5257 -0.7320 -0.7319 -0.1588 -0.1588 1.3731 1.3732 1.6945 1.6946 2.8269 2.8278 3.3453 3.3462 4.1001 4.1001 4.2525 4.2525 4.6447 4.6448 4.6645 4.6645 5.0030 5.0030 5.3397 5.3398 6.7167 6.7168 7.5510 7.5510 7.8269 7.8269 8.6686 8.6686 8.7721 8.7721 10.5847 10.5848 10.9904 10.9904 11.8879 11.8879 k = 0.4375-1.7745-1.0346 ( 4039 PWs) bands (ev): -6.7148 -6.7145 -6.3899 -6.3897 -4.0265 -4.0265 -1.4744 -1.4744 -0.7309 -0.7309 -0.2367 -0.2367 1.3534 1.3535 1.6665 1.6666 2.8194 2.8202 3.3291 3.3299 4.1056 4.1056 4.2403 4.2403 4.6354 4.6355 4.6559 4.6559 4.9941 4.9941 5.3081 5.3082 6.7132 6.7133 7.5397 7.5397 7.7983 7.7984 8.6599 8.6599 8.7379 8.7379 10.5593 10.5594 10.9872 10.9872 11.8628 11.8628 k = 0.4464-1.8107-1.0557 ( 4040 PWs) bands (ev): -6.6991 -6.6989 -6.3742 -6.3740 -3.9798 -3.9798 -1.4272 -1.4272 -0.7332 -0.7331 -0.3054 -0.3054 1.3362 1.3363 1.6420 1.6421 2.8124 2.8131 3.3126 3.3132 4.1127 4.1127 4.2297 4.2297 4.6274 4.6274 4.6513 4.6514 4.9863 4.9863 5.2786 5.2788 6.7103 6.7104 7.5298 7.5298 7.7723 7.7723 8.6523 8.6523 8.7086 8.7086 10.5374 10.5375 10.9842 10.9842 11.8410 11.8410 k = 0.4554-1.8469-1.0768 ( 4035 PWs) bands (ev): -6.6856 -6.6854 -6.3607 -6.3605 -3.9387 -3.9386 -1.3849 -1.3848 -0.7380 -0.7380 -0.3642 -0.3642 1.3216 1.3217 1.6210 1.6211 2.8063 2.8069 3.2960 3.2966 4.1210 4.1210 4.2207 4.2207 4.6206 4.6206 4.6495 4.6496 4.9797 4.9797 5.2521 5.2522 6.7079 6.7080 7.5215 7.5215 7.7492 7.7493 8.6459 8.6459 8.6840 8.6840 10.5191 10.5192 10.9815 10.9815 11.8225 11.8225 k = 0.4643-1.8831-1.0979 ( 4031 PWs) bands (ev): -6.6745 -6.6744 -6.3496 -6.3494 -3.9037 -3.9037 -1.3483 -1.3483 -0.7447 -0.7446 -0.4125 -0.4125 1.3096 1.3097 1.6036 1.6037 2.8017 2.8022 3.2802 3.2807 4.1299 4.1299 4.2133 4.2133 4.6150 4.6150 4.6491 4.6493 4.9743 4.9743 5.2292 5.2293 6.7060 6.7061 7.5146 7.5146 7.7296 7.7297 8.6406 8.6406 8.6641 8.6641 10.5041 10.5042 10.9792 10.9792 11.8073 11.8073 k = 0.4732-1.9194-1.1190 ( 4031 PWs) bands (ev): -6.6658 -6.6657 -6.3408 -6.3407 -3.8758 -3.8758 -1.3185 -1.3185 -0.7519 -0.7519 -0.4501 -0.4501 1.3004 1.3004 1.5898 1.5899 2.7985 2.7988 3.2663 3.2666 4.1386 4.1386 4.2076 4.2076 4.6106 4.6106 4.6494 4.6495 4.9701 4.9701 5.2106 5.2107 6.7046 6.7046 7.5093 7.5093 7.7139 7.7139 8.6365 8.6365 8.6487 8.6487 10.4926 10.4926 10.9773 10.9773 11.7955 11.7955 k = 0.4821-1.9556-1.1402 ( 4031 PWs) bands (ev): -6.6595 -6.6594 -6.3345 -6.3344 -3.8553 -3.8553 -1.2963 -1.2963 -0.7584 -0.7584 -0.4769 -0.4769 1.2938 1.2938 1.5799 1.5799 2.7965 2.7967 3.2552 3.2554 4.1458 4.1459 4.2034 4.2034 4.6075 4.6075 4.6497 4.6498 4.9671 4.9671 5.1970 5.1970 6.7035 6.7036 7.5055 7.5055 7.7024 7.7024 8.6335 8.6335 8.6378 8.6378 10.4844 10.4844 10.9759 10.9759 11.7870 11.7871 k = 0.4911-1.9918-1.1613 ( 4030 PWs) bands (ev): -6.6557 -6.6557 -6.3307 -6.3307 -3.8428 -3.8428 -1.2826 -1.2826 -0.7629 -0.7629 -0.4929 -0.4929 1.2899 1.2899 1.5739 1.5739 2.7955 2.7956 3.2482 3.2483 4.1507 4.1507 4.2010 4.2010 4.6056 4.6056 4.6500 4.6500 4.9653 4.9653 5.1886 5.1887 6.7029 6.7029 7.5032 7.5032 7.6954 7.6954 8.6312 8.6312 8.6317 8.6318 10.4794 10.4794 10.9751 10.9751 11.7820 11.7820 k = 0.5000-2.0280-1.1824 ( 4032 PWs) bands (ev): -6.6544 -6.6544 -6.3294 -6.3294 -3.8386 -3.8386 -1.2779 -1.2779 -0.7645 -0.7645 -0.4982 -0.4982 1.2886 1.2886 1.5719 1.5719 2.7952 2.7952 3.2458 3.2458 4.1524 4.1524 4.2001 4.2001 4.6050 4.6050 4.6500 4.6500 4.9647 4.9647 5.1858 5.1858 6.7027 6.7027 7.5024 7.5024 7.6930 7.6930 8.6291 8.6291 8.6311 8.6311 10.4778 10.4778 10.9748 10.9748 11.7803 11.7803 k = 0.5000-2.0280-1.1824 ( 4032 PWs) bands (ev): -6.6544 -6.6544 -6.3294 -6.3294 -3.8386 -3.8386 -1.2779 -1.2779 -0.7645 -0.7645 -0.4982 -0.4982 1.2886 1.2886 1.5719 1.5719 2.7952 2.7952 3.2458 3.2458 4.1524 4.1524 4.2001 4.2001 4.6050 4.6050 4.6500 4.6500 4.9647 4.9647 5.1858 5.1858 6.7027 6.7027 7.5024 7.5024 7.6930 7.6930 8.6291 8.6291 8.6311 8.6311 10.4778 10.4778 10.9748 10.9748 11.7803 11.7803 k = 0.5000-2.0065-1.2193 ( 4036 PWs) bands (ev): -6.6542 -6.6541 -6.3292 -6.3291 -3.8379 -3.8379 -1.2772 -1.2771 -0.7638 -0.7638 -0.4973 -0.4973 1.2895 1.2896 1.5728 1.5729 2.7961 2.7961 3.2461 3.2461 4.1496 4.1507 4.1928 4.1940 4.6007 4.6015 4.6518 4.6521 4.9594 4.9597 5.1855 5.1855 6.7045 6.7045 7.4888 7.4890 7.7012 7.7013 8.6048 8.6050 8.6564 8.6565 10.4837 10.4838 10.9780 10.9780 11.7847 11.7847 k = 0.5000-1.9850-1.2562 ( 4036 PWs) bands (ev): -6.6532 -6.6530 -6.3282 -6.3280 -3.8356 -3.8356 -1.2748 -1.2747 -0.7616 -0.7615 -0.4944 -0.4944 1.2923 1.2925 1.5757 1.5760 2.7986 2.7987 3.2470 3.2470 4.1399 4.1427 4.1738 4.1769 4.5899 4.5912 4.6566 4.6570 4.9442 4.9448 5.1846 5.1846 6.7098 6.7098 7.4534 7.4536 7.7209 7.7210 8.5767 8.5768 8.6877 8.6879 10.5016 10.5016 10.9875 10.9876 11.7978 11.7978 k = 0.5000-1.9634-1.2931 ( 4040 PWs) bands (ev): -6.6517 -6.6513 -6.3266 -6.3263 -3.8319 -3.8319 -1.2707 -1.2706 -0.7580 -0.7579 -0.4896 -0.4896 1.2970 1.2974 1.5807 1.5810 2.8029 2.8030 3.2485 3.2485 4.1143 4.1177 4.1540 4.1580 4.5739 4.5757 4.6632 4.6637 4.9197 4.9206 5.1830 5.1831 6.7184 6.7184 7.4036 7.4039 7.7447 7.7448 8.5425 8.5426 8.7265 8.7267 10.5314 10.5314 11.0032 11.0034 11.8194 11.8195 k = 0.5000-1.9419-1.3300 ( 4042 PWs) bands (ev): -6.6494 -6.6490 -6.3244 -6.3240 -3.8266 -3.8266 -1.2652 -1.2650 -0.7529 -0.7528 -0.4828 -0.4828 1.3037 1.3042 1.5876 1.5881 2.8089 2.8089 3.2504 3.2504 4.0674 4.0697 4.1394 4.1424 4.5543 4.5565 4.6711 4.6716 4.8871 4.8883 5.1808 5.1809 6.7300 6.7300 7.3440 7.3443 7.7686 7.7687 8.5008 8.5009 8.7734 8.7735 10.5731 10.5731 11.0250 11.0252 11.8491 11.8493 k = 0.5000-1.9204-1.3669 ( 4032 PWs) bands (ev): -6.6466 -6.6460 -6.3215 -6.3210 -3.8199 -3.8199 -1.2580 -1.2578 -0.7466 -0.7464 -0.4740 -0.4740 1.3123 1.3129 1.5965 1.5971 2.8165 2.8165 3.2523 3.2524 4.0045 4.0061 4.1232 4.1255 4.5319 4.5347 4.6797 4.6803 4.8483 4.8498 5.1779 5.1780 6.7442 6.7442 7.2767 7.2770 7.7911 7.7912 8.4512 8.4513 8.8276 8.8277 10.6267 10.6267 11.0526 11.0528 11.8865 11.8867 k = 0.5000-1.8989-1.4038 ( 4028 PWs) bands (ev): -6.6431 -6.6424 -6.3181 -6.3174 -3.8117 -3.8117 -1.2492 -1.2490 -0.7390 -0.7388 -0.4632 -0.4632 1.3228 1.3235 1.6073 1.6080 2.8256 2.8257 3.2539 3.2540 3.9292 3.9303 4.1021 4.1040 4.5076 4.5109 4.6878 4.6887 4.8063 4.8080 5.1742 5.1743 6.7605 6.7605 7.2029 7.2033 7.8116 7.8117 8.3942 8.3943 8.8875 8.8876 10.6922 10.6923 11.0858 11.0861 11.9307 11.9309 k = 0.5000-1.8774-1.4407 ( 4028 PWs) bands (ev): -6.6391 -6.6383 -6.3140 -6.3132 -3.8022 -3.8022 -1.2389 -1.2387 -0.7302 -0.7300 -0.4503 -0.4503 1.3351 1.3360 1.6201 1.6209 2.8363 2.8364 3.2543 3.2544 3.8443 3.8451 4.0748 4.0763 4.4815 4.4852 4.6909 4.6926 4.7680 4.7694 5.1696 5.1698 6.7785 6.7785 7.1237 7.1241 7.8300 7.8301 8.3303 8.3304 8.9514 8.9515 10.7695 10.7695 11.1244 11.1247 11.9804 11.9806 k = 0.5000-1.8559-1.4776 ( 4028 PWs) bands (ev): -6.6345 -6.6336 -6.3094 -6.3085 -3.7912 -3.7912 -1.2271 -1.2269 -0.7205 -0.7202 -0.4353 -0.4352 1.3493 1.3503 1.6348 1.6357 2.8483 2.8484 3.2520 3.2522 3.7528 3.7534 4.0405 4.0417 4.4523 4.4563 4.6760 4.6791 4.7500 4.7506 5.1640 5.1642 6.7976 6.7977 7.0397 7.0401 7.8463 7.8464 8.2605 8.2607 9.0173 9.0174 10.8579 10.8580 11.1685 11.1689 12.0330 12.0331 k = 0.5000-1.8344-1.5145 ( 4026 PWs) bands (ev): -6.6293 -6.6283 -6.3042 -6.3032 -3.7789 -3.7789 -1.2138 -1.2135 -0.7098 -0.7096 -0.4180 -0.4179 1.3653 1.3664 1.6513 1.6524 2.8615 2.8616 3.2442 3.2444 3.6590 3.6595 3.9990 3.9999 4.4172 4.4211 4.6453 4.6488 4.7550 4.7554 5.1574 5.1576 6.8173 6.8174 6.9517 6.9522 7.8608 7.8609 8.1858 8.1860 9.0836 9.0837 10.9564 10.9565 11.2187 11.2191 12.0793 12.0794 k = 0.5000-1.8128-1.5514 ( 4022 PWs) bands (ev): -6.6237 -6.6226 -6.2985 -6.2975 -3.7654 -3.7654 -1.1991 -1.1988 -0.6985 -0.6982 -0.3984 -0.3984 1.3831 1.3844 1.6697 1.6709 2.8755 2.8756 3.2251 3.2254 3.5702 3.5706 3.9509 3.9514 4.3725 4.3760 4.6173 4.6206 4.7690 4.7692 5.1496 5.1498 6.8365 6.8372 6.8606 6.8616 7.8735 7.8736 8.1074 8.1077 9.1490 9.1491 11.0621 11.0622 11.2770 11.2774 12.0828 12.0828 k = 0.5000-1.7913-1.5883 ( 4028 PWs) bands (ev): -6.6176 -6.6163 -6.2924 -6.2912 -3.7506 -3.7506 -1.1830 -1.1826 -0.6866 -0.6862 -0.3764 -0.3764 1.4026 1.4040 1.6898 1.6911 2.8898 2.8900 3.1854 3.1860 3.4970 3.4976 3.8969 3.8972 4.3169 4.3196 4.5992 4.6019 4.7866 4.7868 5.1404 5.1407 6.7669 6.7671 6.8564 6.8565 7.8846 7.8846 8.0264 8.0267 9.2124 9.2125 11.1687 11.1689 11.3485 11.3489 12.0156 12.0157 k = 0.5000-1.7698-1.6252 ( 4028 PWs) bands (ev): -6.6110 -6.6097 -6.2858 -6.2846 -3.7347 -3.7346 -1.1655 -1.1651 -0.6743 -0.6739 -0.3521 -0.3521 1.4238 1.4253 1.7116 1.7130 2.9026 2.9029 3.1185 3.1193 3.4488 3.4496 3.8381 3.8386 4.2516 4.2535 4.5911 4.5932 4.8066 4.8068 5.1298 5.1301 6.6717 6.6720 6.8742 6.8742 7.8940 7.8941 7.9444 7.9447 9.2731 9.2732 11.2654 11.2655 11.4430 11.4433 11.9198 11.9199 k = 0.5000-1.7483-1.6621 ( 4028 PWs) bands (ev): -6.6041 -6.6027 -6.2789 -6.2775 -3.7176 -3.7176 -1.1467 -1.1462 -0.6618 -0.6613 -0.3252 -0.3252 1.4467 1.4483 1.7350 1.7365 2.9062 2.9068 3.0349 3.0361 3.4228 3.4238 3.7764 3.7773 4.1793 4.1805 4.5909 4.5926 4.8283 4.8286 5.1176 5.1179 6.5756 6.5759 6.8896 6.8897 7.8622 7.8626 7.9024 7.9026 9.3308 9.3310 11.3455 11.3456 11.5653 11.5657 11.8144 11.8146 k = 0.5000-1.7268-1.6990 ( 4028 PWs) bands (ev): -6.5969 -6.5954 -6.2716 -6.2702 -3.6996 -3.6996 -1.1266 -1.1261 -0.6492 -0.6487 -0.2959 -0.2958 1.4710 1.4728 1.7598 1.7614 2.8619 2.8626 2.9833 2.9847 3.4091 3.4104 3.7138 3.7152 4.1023 4.1029 4.5966 4.5979 4.8517 4.8519 5.1036 5.1039 6.4794 6.4798 6.9015 6.9016 7.7826 7.7830 7.9090 7.9092 9.3855 9.3857 11.4138 11.4138 11.6998 11.7037 11.7106 11.7144 k = 0.5000-1.7053-1.7359 ( 4030 PWs) bands (ev): -6.5894 -6.5878 -6.2641 -6.2626 -3.6807 -3.6807 -1.1054 -1.1049 -0.6368 -0.6363 -0.2639 -0.2639 1.4968 1.4987 1.7857 1.7874 2.7573 2.7576 2.9837 2.9846 3.3989 3.4005 3.6534 3.6553 4.0224 4.0229 4.6067 4.6076 4.8764 4.8767 5.0878 5.0882 6.3840 6.3844 6.9083 6.9084 7.7073 7.7077 7.9143 7.9144 9.4372 9.4373 11.4753 11.4755 11.5936 11.5941 11.8672 11.8673 k = 0.5000-1.6838-1.7728 ( 4036 PWs) bands (ev): -6.5817 -6.5800 -6.2563 -6.2547 -3.6610 -3.6610 -1.0831 -1.0825 -0.6247 -0.6242 -0.2294 -0.2294 1.5239 1.5258 1.8124 1.8141 2.6359 2.6359 2.9958 2.9967 3.3852 3.3872 3.5999 3.6022 3.9412 3.9419 4.6200 4.6207 4.9022 4.9026 5.0702 5.0707 6.2901 6.2905 6.9080 6.9082 7.6387 7.6391 7.9182 7.9183 9.4860 9.4863 11.4742 11.4748 11.5414 11.5422 12.0340 12.0341 k = 0.5000-1.6622-1.8097 ( 4032 PWs) bands (ev): -6.5738 -6.5720 -6.2484 -6.2467 -3.6407 -3.6406 -1.0597 -1.0590 -0.6131 -0.6125 -0.1922 -0.1922 1.5521 1.5541 1.8390 1.8408 2.5108 2.5109 3.0086 3.0095 3.3614 3.3637 3.5591 3.5618 3.8604 3.8613 4.6357 4.6363 4.9285 4.9291 5.0510 5.0517 6.1985 6.1988 6.8986 6.8988 7.5797 7.5802 7.9207 7.9208 9.5325 9.5327 11.3646 11.3649 11.5967 11.5972 12.2070 12.2070 k = 0.5000-1.6407-1.8466 ( 4036 PWs) bands (ev): -6.5658 -6.5639 -6.2404 -6.2386 -3.6198 -3.6198 -1.0354 -1.0347 -0.6022 -0.6016 -0.1525 -0.1525 1.5809 1.5829 1.8640 1.8657 2.3874 2.3876 3.0182 3.0193 3.3252 3.3276 3.5341 3.5369 3.7818 3.7830 4.6533 4.6538 4.9537 4.9547 5.0316 5.0327 6.1098 6.1102 6.8779 6.8782 7.5328 7.5333 7.9217 7.9219 9.5767 9.5770 11.2534 11.2537 11.6529 11.6533 12.3837 12.3837 k = 0.5000-1.6192-1.8835 ( 4028 PWs) bands (ev): -6.5578 -6.5559 -6.2323 -6.2305 -3.5985 -3.5985 -1.0102 -1.0095 -0.5922 -0.5915 -0.1102 -0.1101 1.6097 1.6118 1.8835 1.8850 2.2718 2.2723 3.0205 3.0219 3.2822 3.2847 3.5199 3.5226 3.7086 3.7101 4.6721 4.6725 4.9702 4.9718 5.0196 5.0213 6.0249 6.0252 6.8453 6.8456 7.4994 7.4999 7.9212 7.9214 9.6191 9.6195 11.1437 11.1439 11.7078 11.7082 12.5618 12.5618 k = 0.5000-1.5977-1.9204 ( 4038 PWs) bands (ev): -6.5499 -6.5478 -6.2243 -6.2224 -3.5771 -3.5770 -0.9843 -0.9835 -0.5832 -0.5824 -0.0653 -0.0652 1.6368 1.6388 1.8881 1.8891 2.1759 2.1770 3.0100 3.0117 3.2418 3.2444 3.5066 3.5092 3.6467 3.6483 4.6915 4.6919 4.9613 4.9624 5.0330 5.0342 5.9442 5.9445 6.8014 6.8016 7.4794 7.4798 7.9192 7.9194 9.6600 9.6604 11.0362 11.0366 11.7611 11.7615 12.7387 12.7388 k = 0.5000-1.5762-1.9573 ( 4036 PWs) bands (ev): -6.5420 -6.5399 -6.2165 -6.2145 -3.5556 -3.5556 -0.9578 -0.9569 -0.5755 -0.5746 -0.0178 -0.0178 1.6574 1.6591 1.8615 1.8626 2.1211 2.1232 2.9823 2.9844 3.2102 3.2128 3.4828 3.4851 3.6068 3.6081 4.7110 4.7113 4.9376 4.9382 5.0602 5.0609 5.8684 5.8687 6.7485 6.7488 7.4711 7.4715 7.9155 7.9157 9.6997 9.7001 10.9318 10.9321 11.8125 11.8129 12.9109 12.9112 k = 0.5000-1.5547-1.9942 ( 4044 PWs) bands (ev): -6.5344 -6.5322 -6.2088 -6.2068 -3.5343 -3.5343 -0.9309 -0.9298 -0.5692 -0.5682 0.0322 0.0322 1.6534 1.6543 1.8162 1.8185 2.1134 2.1161 2.9386 2.9409 3.1849 3.1875 3.4472 3.4490 3.5916 3.5924 4.7298 4.7301 4.9099 4.9103 5.0904 5.0909 5.7980 5.7983 6.6897 6.6900 7.4720 7.4724 7.9101 7.9103 9.7384 9.7389 10.8307 10.8312 11.8617 11.8622 13.0629 13.0639 k = 0.5000-1.5331-2.0311 ( 4038 PWs) bands (ev): -6.5270 -6.5248 -6.2014 -6.1993 -3.5134 -3.5134 -0.9035 -0.9024 -0.5645 -0.5635 0.0846 0.0846 1.5946 1.5950 1.8037 1.8068 2.1323 2.1352 2.8847 2.8871 3.1567 3.1592 3.4142 3.4158 3.5901 3.5908 4.7469 4.7472 4.8814 4.8816 5.1216 5.1220 5.7334 5.7337 6.6280 6.6283 7.4798 7.4802 7.9030 7.9032 9.7765 9.7770 10.7336 10.7341 11.9085 11.9090 13.1263 13.1267 k = 0.5000-1.5116-2.0680 ( 4038 PWs) bands (ev): -6.5200 -6.5178 -6.1944 -6.1923 -3.4932 -3.4932 -0.8761 -0.8748 -0.5617 -0.5605 0.1395 0.1395 1.4983 1.4985 1.8217 1.8249 2.1625 2.1656 2.8263 2.8288 3.1186 3.1210 3.3942 3.3956 3.5940 3.5948 4.7606 4.7610 4.8541 4.8543 5.1529 5.1531 5.6751 5.6754 6.5660 6.5663 7.4926 7.4929 7.8940 7.8943 9.8140 9.8147 10.6408 10.6414 11.9525 11.9531 13.1515 13.1516 k = 0.5000-1.4901-2.1049 ( 4042 PWs) bands (ev): -6.5135 -6.5112 -6.1878 -6.1856 -3.4740 -3.4740 -0.8486 -0.8472 -0.5608 -0.5595 0.1967 0.1968 1.3910 1.3912 1.8493 1.8526 2.1981 2.2012 2.7670 2.7696 3.0706 3.0729 3.3874 3.3887 3.5999 3.6008 4.7676 4.7681 4.8317 4.8318 5.1837 5.1838 5.6236 5.6238 6.5060 6.5063 7.5088 7.5091 7.8833 7.8835 9.8513 9.8521 10.5527 10.5534 11.9936 11.9942 13.1580 13.1581 k = 0.5000-1.4686-2.1418 ( 4040 PWs) bands (ev): -6.5075 -6.5051 -6.1818 -6.1796 -3.4560 -3.4560 -0.8215 -0.8199 -0.5621 -0.5606 0.2564 0.2564 1.2821 1.2822 1.8795 1.8828 2.2362 2.2394 2.7095 2.7121 3.0171 3.0193 3.3895 3.3907 3.6063 3.6074 4.7628 4.7633 4.8193 4.8194 5.2134 5.2135 5.5794 5.5796 6.4499 6.4501 7.5274 7.5277 7.8706 7.8709 9.8885 9.8894 10.4696 10.4705 12.0314 12.0320 13.1491 13.1492 k = 0.5000-1.4471-2.1787 ( 4040 PWs) bands (ev): -6.5021 -6.4997 -6.1763 -6.1741 -3.4396 -3.4395 -0.7949 -0.7930 -0.5656 -0.5638 0.3182 0.3183 1.1751 1.1752 1.9092 1.9126 2.2754 2.2786 2.6556 2.6581 2.9627 2.9648 3.3961 3.3973 3.6124 3.6136 4.7481 4.7485 4.8150 4.8151 5.2416 5.2416 5.5431 5.5433 6.3993 6.3995 7.5474 7.5477 7.8560 7.8564 9.9256 9.9267 10.3920 10.3931 12.0657 12.0663 13.1291 13.1292 k = 0.5000-1.4256-2.2156 ( 4042 PWs) bands (ev): -6.4974 -6.4950 -6.1716 -6.1694 -3.4251 -3.4250 -0.7692 -0.7670 -0.5713 -0.5692 0.3824 0.3824 1.0718 1.0718 1.9366 1.9399 2.3145 2.3177 2.6068 2.6091 2.9108 2.9128 3.4045 3.4057 3.6178 3.6190 4.7314 4.7318 4.8106 4.8107 5.2675 5.2676 5.5151 5.5154 6.3555 6.3557 7.5684 7.5687 7.8396 7.8400 9.9626 9.9641 10.3203 10.3217 12.0963 12.0969 13.1024 13.1025 k = 0.5000-1.4041-2.2526 ( 4046 PWs) bands (ev): -6.4936 -6.4911 -6.1677 -6.1655 -3.4128 -3.4128 -0.7451 -0.7425 -0.5790 -0.5765 0.4486 0.4487 0.9731 0.9732 1.9597 1.9631 2.3522 2.3553 2.5645 2.5667 2.8647 2.8665 3.4127 3.4140 3.6221 3.6234 4.7174 4.7177 4.8017 4.8018 5.2907 5.2910 5.4960 5.4962 6.3198 6.3200 7.5897 7.5900 7.8214 7.8218 9.9988 10.0009 10.2552 10.2573 12.1231 12.1238 13.0726 13.0728 k = 0.5000-1.3825-2.2895 ( 4046 PWs) bands (ev): -6.4906 -6.4881 -6.1647 -6.1624 -3.4032 -3.4032 -0.7235 -0.7203 -0.5883 -0.5851 0.5170 0.5171 0.8801 0.8801 1.9767 1.9800 2.3870 2.3900 2.5299 2.5318 2.8276 2.8291 3.4199 3.4212 3.6252 3.6267 4.7074 4.7077 4.7871 4.7872 5.3108 5.3112 5.4855 5.4858 6.2932 6.2934 7.6110 7.6114 7.8016 7.8021 10.0323 10.0356 10.1990 10.2022 12.1460 12.1467 13.0426 13.0427 k = 0.5000-1.3610-2.3264 ( 4044 PWs) bands (ev): -6.4885 -6.4860 -6.1627 -6.1604 -3.3966 -3.3966 -0.7065 -0.7025 -0.5973 -0.5934 0.5874 0.5875 0.7934 0.7934 1.9857 1.9889 2.4169 2.4199 2.5036 2.5052 2.8032 2.8044 3.4253 3.4266 3.6272 3.6288 4.7012 4.7014 4.7677 4.7678 5.3277 5.3281 5.4831 5.4836 6.2763 6.2765 7.6318 7.6323 7.7804 7.7810 10.0547 10.0598 10.1599 10.1651 12.1650 12.1658 13.0140 13.0142 k = 0.5000-1.3395-2.3633 ( 4034 PWs) bands (ev): -6.4876 -6.4851 -6.1617 -6.1594 -3.3934 -3.3934 -0.6974 -0.6928 -0.6027 -0.5981 0.6594 0.6597 0.7135 0.7137 1.9858 1.9889 2.4364 2.4395 2.4893 2.4909 2.7945 2.7956 3.4285 3.4299 3.6283 3.6298 4.6940 4.6941 4.7491 4.7493 5.3412 5.3417 5.4880 5.4884 6.2694 6.2696 7.6512 7.6520 7.7586 7.7595 10.0469 10.0517 10.1604 10.1652 12.1803 12.1811 12.9882 12.9884 k = 0.5000-1.3180-2.4002 ( 4036 PWs) bands (ev): -6.4877 -6.4852 -6.1619 -6.1596 -3.3940 -3.3940 -0.7003 -0.6960 -0.6000 -0.5957 0.6407 0.6409 0.7339 0.7341 1.9773 1.9804 2.4319 2.4346 2.4998 2.5014 2.8024 2.8038 3.4295 3.4309 3.6285 3.6301 4.6743 4.6743 4.7438 4.7442 5.3516 5.3522 5.4987 5.4992 6.2725 6.2727 7.6672 7.6684 7.7383 7.7397 10.0168 10.0199 10.1917 10.1948 12.1920 12.1928 12.9660 12.9661 k = 0.8300-1.2779-2.3293 ( 4036 PWs) bands (ev): -6.4877 -6.4852 -6.1619 -6.1596 -3.3940 -3.3940 -0.7003 -0.6960 -0.6000 -0.5957 0.6407 0.6409 0.7339 0.7341 1.9773 1.9804 2.4319 2.4346 2.4998 2.5014 2.8024 2.8038 3.4295 3.4309 3.6285 3.6301 4.6743 4.6743 4.7438 4.7442 5.3516 5.3522 5.4987 5.4992 6.2725 6.2727 7.6672 7.6684 7.7383 7.7397 10.0168 10.0199 10.1917 10.1948 12.1920 12.1928 12.9660 12.9661 k = 0.8249-1.2570-2.2924 ( 4040 PWs) bands (ev): -6.4891 -6.4866 -6.1633 -6.1610 -3.3986 -3.3986 -0.7151 -0.7117 -0.5899 -0.5865 0.5762 0.5763 0.8098 0.8098 1.9618 1.9648 2.4115 2.4139 2.5274 2.5292 2.8251 2.8269 3.4282 3.4296 3.6284 3.6300 4.6404 4.6404 4.7545 4.7549 5.3593 5.3599 5.5142 5.5147 6.2851 6.2853 7.6723 7.6740 7.7273 7.7291 9.9838 9.9860 10.2325 10.2347 12.2003 12.2011 12.9479 12.9480 k = 0.8197-1.2361-2.2555 ( 4046 PWs) bands (ev): -6.4918 -6.4893 -6.1660 -6.1637 -3.4077 -3.4077 -0.7387 -0.7360 -0.5765 -0.5739 0.5199 0.5199 0.8872 0.8872 1.9416 1.9445 2.3866 2.3890 2.5623 2.5644 2.8589 2.8610 3.4248 3.4261 3.6282 3.6297 4.5995 4.5996 4.7751 4.7755 5.3648 5.3653 5.5334 5.5338 6.3064 6.3067 7.6589 7.6602 7.7343 7.7357 9.9540 9.9557 10.2771 10.2788 12.2055 12.2063 12.9342 12.9344 k = 0.8146-1.2152-2.2185 ( 4044 PWs) bands (ev): -6.4958 -6.4934 -6.1700 -6.1677 -3.4214 -3.4214 -0.7683 -0.7662 -0.5627 -0.5607 0.4722 0.4723 0.9659 0.9659 1.9189 1.9216 2.3611 2.3634 2.6023 2.6048 2.9002 2.9026 3.4195 3.4208 3.6280 3.6295 4.5555 4.5555 4.8026 4.8030 5.3687 5.3691 5.5552 5.5555 6.3357 6.3359 7.6355 7.6365 7.7503 7.7513 9.9290 9.9304 10.3242 10.3256 12.2080 12.2088 12.9252 12.9254 k = 0.8094-1.1942-2.1816 ( 4044 PWs) bands (ev): -6.5013 -6.4988 -6.1755 -6.1732 -3.4400 -3.4400 -0.8028 -0.8011 -0.5499 -0.5483 0.4336 0.4337 1.0455 1.0456 1.8956 1.8982 2.3366 2.3389 2.6466 2.6493 2.9464 2.9490 3.4130 3.4142 3.6278 3.6292 4.5105 4.5106 4.8355 4.8359 5.3716 5.3719 5.5789 5.5791 6.3719 6.3721 7.6090 7.6098 7.7687 7.7695 9.9091 9.9103 10.3732 10.3744 12.2082 12.2089 12.9209 12.9211 k = 0.8043-1.1733-2.1446 ( 4042 PWs) bands (ev): -6.5082 -6.5058 -6.1824 -6.1802 -3.4635 -3.4635 -0.8413 -0.8400 -0.5389 -0.5376 0.4042 0.4042 1.1258 1.1258 1.8733 1.8758 2.3144 2.3165 2.6943 2.6971 2.9954 2.9982 3.4060 3.4072 3.6273 3.6285 4.4666 4.4666 4.8729 4.8733 5.3739 5.3742 5.6036 5.6037 6.4141 6.4143 7.5816 7.5823 7.7879 7.7886 9.8947 9.8957 10.4239 10.4250 12.2063 12.2071 12.9212 12.9214 k = 0.7991-1.1524-2.1077 ( 4042 PWs) bands (ev): -6.5166 -6.5143 -6.1909 -6.1887 -3.4920 -3.4920 -0.8836 -0.8824 -0.5302 -0.5291 0.3840 0.3841 1.2059 1.2060 1.8537 1.8561 2.2950 2.2971 2.7447 2.7477 3.0455 3.0485 3.3996 3.4008 3.6255 3.6267 4.4254 4.4255 4.9138 4.9143 5.3763 5.3765 5.6287 5.6288 6.4614 6.4616 7.5543 7.5549 7.8076 7.8082 9.8855 9.8865 10.4762 10.4771 12.2029 12.2037 12.9260 12.9262 k = 0.7939-1.1315-2.0707 ( 4044 PWs) bands (ev): -6.5266 -6.5243 -6.2010 -6.1988 -3.5254 -3.5254 -0.9292 -0.9283 -0.5240 -0.5231 0.3731 0.3732 1.2850 1.2851 1.8383 1.8405 2.2790 2.2809 2.7973 2.8004 3.0951 3.0983 3.3952 3.3965 3.6217 3.6228 4.3891 4.3893 4.9575 4.9580 5.3790 5.3791 5.6538 5.6539 6.5132 6.5134 7.5279 7.5284 7.8276 7.8281 9.8816 9.8825 10.5297 10.5305 12.1983 12.1991 12.9349 12.9352 k = 0.7888-1.1106-2.0338 ( 4042 PWs) bands (ev): -6.5382 -6.5359 -6.2126 -6.2105 -3.5636 -3.5636 -0.9780 -0.9772 -0.5205 -0.5197 0.3715 0.3715 1.3614 1.3615 1.8291 1.8311 2.2666 2.2684 2.8515 2.8548 3.1421 3.1455 3.3944 3.3959 3.6150 3.6161 4.3597 4.3599 5.0031 5.0036 5.3821 5.3823 5.6787 5.6787 6.5687 6.5689 7.5029 7.5034 7.8480 7.8485 9.8829 9.8837 10.5841 10.5849 12.1931 12.1938 12.9478 12.9481 k = 0.7836-1.0897-1.9968 ( 4040 PWs) bands (ev): -6.5514 -6.5492 -6.2259 -6.2238 -3.6064 -3.6064 -1.0296 -1.0289 -0.5199 -0.5192 0.3788 0.3789 1.4324 1.4326 1.8289 1.8308 2.2578 2.2595 2.9068 2.9103 3.1841 3.1876 3.3992 3.4008 3.6052 3.6065 4.3389 4.3391 5.0497 5.0502 5.3859 5.3861 5.7030 5.7031 6.6276 6.6278 7.4800 7.4805 7.8690 7.8694 9.8891 9.8898 10.6391 10.6399 12.1877 12.1884 12.9640 12.9643 k = 0.7785-1.0687-1.9599 ( 4030 PWs) bands (ev): -6.5662 -6.5640 -6.2408 -6.2387 -3.6536 -3.6536 -1.0840 -1.0833 -0.5222 -0.5216 0.3950 0.3950 1.4941 1.4944 1.8419 1.8436 2.2529 2.2545 2.9625 2.9662 3.2189 3.2224 3.4096 3.4113 3.5944 3.5957 4.3281 4.3284 5.0962 5.0967 5.3905 5.3907 5.7270 5.7271 6.6892 6.6894 7.4597 7.4602 7.8906 7.8910 9.9000 9.9008 10.6942 10.6950 12.1827 12.1834 12.9829 12.9833 k = 0.7733-1.0478-1.9229 ( 4030 PWs) bands (ev): -6.5826 -6.5805 -6.2573 -6.2553 -3.7048 -3.7048 -1.1407 -1.1402 -0.5274 -0.5269 0.4195 0.4196 1.5423 1.5427 1.8723 1.8737 2.2516 2.2531 3.0175 3.0214 3.2464 3.2497 3.4207 3.4220 3.5887 3.5900 4.3279 4.3282 5.1415 5.1421 5.3958 5.3961 5.7508 5.7510 6.7533 6.7535 7.4426 7.4431 7.9130 7.9134 9.9156 9.9163 10.7488 10.7495 12.1788 12.1795 13.0036 13.0040 k = 0.7682-1.0269-1.8860 ( 4030 PWs) bands (ev): -6.6007 -6.5986 -6.2754 -6.2735 -3.7597 -3.7596 -1.1997 -1.1992 -0.5356 -0.5352 0.4521 0.4522 1.5756 1.5761 1.9211 1.9223 2.2540 2.2554 3.0701 3.0742 3.2699 3.2727 3.4211 3.4213 3.5989 3.6001 4.3381 4.3384 5.1844 5.1850 5.4020 5.4024 5.7751 5.7754 6.8196 6.8198 7.4290 7.4296 7.9363 7.9366 9.9356 9.9363 10.8022 10.8029 12.1768 12.1775 13.0248 13.0252 k = 0.7630-1.0060-1.8490 ( 4036 PWs) bands (ev): -6.6203 -6.6183 -6.2951 -6.2932 -3.8178 -3.8178 -1.2607 -1.2603 -0.5467 -0.5463 0.4923 0.4924 1.5970 1.5975 1.9853 1.9863 2.2599 2.2612 3.1175 3.1217 3.2942 3.2961 3.4037 3.4049 3.6298 3.6310 4.3577 4.3580 5.2236 5.2242 5.4092 5.4096 5.8008 5.8010 6.8876 6.8878 7.4195 7.4200 7.9606 7.9609 9.9599 9.9605 10.8534 10.8541 12.1775 12.1783 13.0443 13.0447 k = 0.7578-0.9851-1.8121 ( 4032 PWs) bands (ev): -6.6415 -6.6396 -6.3163 -6.3146 -3.8789 -3.8789 -1.3235 -1.3231 -0.5606 -0.5602 0.5398 0.5398 1.6112 1.6118 2.0594 2.0603 2.2694 2.2706 3.1556 3.1599 3.3208 3.3210 3.3790 3.3825 3.6754 3.6768 4.3855 4.3859 5.2577 5.2584 5.4173 5.4178 5.8287 5.8290 6.9573 6.9575 7.4142 7.4148 7.9859 7.9862 9.9882 9.9888 10.9015 10.9022 12.1822 12.1829 13.0589 13.0594 k = 0.7527-0.9642-1.7751 ( 4036 PWs) bands (ev): -6.6641 -6.6623 -6.3391 -6.3374 -3.9425 -3.9425 -1.3878 -1.3874 -0.5772 -0.5769 0.5940 0.5941 1.6222 1.6227 2.1386 2.1396 2.2823 2.2836 3.1807 3.1851 3.3219 3.3233 3.3867 3.3909 3.7294 3.7309 4.4203 4.4206 5.2855 5.2863 5.4264 5.4270 5.8601 5.8604 7.0283 7.0285 7.4135 7.4141 8.0123 8.0126 10.0203 10.0210 10.9454 10.9461 12.1918 12.1925 13.0645 13.0650 k = 0.7475-0.9432-1.7382 ( 4032 PWs) bands (ev): -6.6883 -6.6866 -6.3633 -6.3617 -4.0082 -4.0082 -1.4534 -1.4531 -0.5966 -0.5963 0.6546 0.6547 1.6322 1.6327 2.2191 2.2203 2.2993 2.3007 3.1889 3.1935 3.3017 3.3040 3.4337 3.4364 3.7879 3.7895 4.4607 4.4610 5.3066 5.3074 5.4366 5.4372 5.8958 5.8961 7.1004 7.1007 7.4173 7.4180 8.0398 8.0400 10.0562 10.0568 10.9839 10.9847 12.2077 12.2084 13.0570 13.0575 k = 0.7424-0.9223-1.7012 ( 4030 PWs) bands (ev): -6.7139 -6.7122 -6.3890 -6.3874 -4.0757 -4.0757 -1.5202 -1.5200 -0.6185 -0.6183 0.7213 0.7214 1.6425 1.6429 2.2929 2.2949 2.3245 2.3266 3.1775 3.1816 3.2950 3.2976 3.4915 3.4935 3.8490 3.8508 4.5055 4.5058 5.3206 5.3213 5.4478 5.4484 5.9362 5.9366 7.1733 7.1738 7.4257 7.4265 8.0684 8.0686 10.0956 10.0962 11.0162 11.0170 12.2308 12.2315 13.0353 13.0358 k = 0.7372-0.9014-1.6643 ( 4030 PWs) bands (ev): -6.7408 -6.7392 -6.4160 -6.4145 -4.1446 -4.1446 -1.5879 -1.5877 -0.6429 -0.6427 0.7935 0.7936 1.6536 1.6539 2.3336 2.3340 2.3840 2.3846 3.1547 3.1578 3.3032 3.3052 3.5540 3.5559 3.9118 3.9136 4.5535 4.5538 5.3278 5.3285 5.4605 5.4610 5.9815 5.9818 7.2470 7.2476 7.4387 7.4396 8.0979 8.0981 10.1384 10.1390 11.0414 11.0422 12.2620 12.2627 13.0024 13.0028 k = 0.7321-0.8805-1.6273 ( 4034 PWs) bands (ev): -6.7690 -6.7675 -6.4442 -6.4428 -4.2146 -4.2146 -1.6564 -1.6562 -0.6696 -0.6694 0.8711 0.8712 1.6657 1.6660 2.3609 2.3611 2.4507 2.4508 3.1344 3.1367 3.3186 3.3201 3.6193 3.6212 3.9755 3.9774 4.6037 4.6039 5.3289 5.3295 5.4752 5.4756 6.0311 6.0315 7.3208 7.3218 7.4561 7.4573 8.1283 8.1284 10.1843 10.1849 11.0590 11.0598 12.3019 12.3026 12.9624 12.9627 k = 0.7269-0.8596-1.5904 ( 4034 PWs) bands (ev): -6.7984 -6.7969 -6.4737 -6.4723 -4.2854 -4.2854 -1.7253 -1.7251 -0.6986 -0.6984 0.9535 0.9536 1.6785 1.6787 2.3889 2.3895 2.5060 2.5064 3.1267 3.1284 3.3372 3.3384 3.6862 3.6882 4.0396 4.0416 4.6548 4.6551 5.3252 5.3257 5.4926 5.4929 6.0845 6.0849 7.3943 7.3960 7.4780 7.4800 8.1594 8.1596 10.2332 10.2339 11.0691 11.0699 12.3506 12.3512 12.9190 12.9193 k = 0.7217-0.8387-1.5534 ( 4046 PWs) bands (ev): -6.8289 -6.8275 -6.5042 -6.5029 -4.3567 -4.3566 -1.7946 -1.7945 -0.7296 -0.7294 1.0405 1.0407 1.6916 1.6917 2.4184 2.4195 2.5452 2.5459 3.1386 3.1399 3.3576 3.3585 3.7540 3.7562 4.1039 4.1060 4.7055 4.7058 5.3182 5.3187 5.5131 5.5133 6.1410 6.1414 7.4645 7.4682 7.5060 7.5100 8.1912 8.1913 10.2849 10.2856 11.0719 11.0728 12.4077 12.4083 12.8746 12.8749 k = 0.7166-0.8178-1.5165 ( 4038 PWs) bands (ev): -6.8604 -6.8591 -6.5357 -6.5345 -4.4282 -4.4282 -1.8641 -1.8639 -0.7625 -0.7623 1.1319 1.1320 1.7041 1.7042 2.4482 2.4498 2.5683 2.5694 3.1734 3.1743 3.3789 3.3796 3.8224 3.8247 4.1682 4.1704 4.7543 4.7546 5.3103 5.3108 5.5371 5.5373 6.1999 6.2002 7.5183 7.5228 7.5552 7.5599 8.2234 8.2234 10.3392 10.3400 11.0683 11.0692 12.4725 12.4732 12.8309 12.8312 k = 0.7114-0.7968-1.4795 ( 4046 PWs) bands (ev): -6.8928 -6.8916 -6.5681 -6.5670 -4.4997 -4.4997 -1.9335 -1.9334 -0.7972 -0.7970 1.2271 1.2273 1.7150 1.7151 2.4744 2.4767 2.5822 2.5840 3.2288 3.2295 3.4004 3.4009 3.8909 3.8933 4.2323 4.2345 4.7989 4.7992 5.3041 5.3046 5.5651 5.5652 6.2606 6.2610 7.5561 7.5585 7.6264 7.6290 8.2558 8.2558 10.3959 10.3967 11.0590 11.0600 12.5441 12.5447 12.7890 12.7894 k = 0.7063-0.7759-1.4426 ( 4046 PWs) bands (ev): -6.9261 -6.9249 -6.6014 -6.6002 -4.5710 -4.5710 -2.0028 -2.0027 -0.8334 -0.8333 1.3261 1.3263 1.7232 1.7232 2.4907 2.4936 2.6001 2.6024 3.3001 3.3004 3.4218 3.4221 3.9593 3.9618 4.2959 4.2982 4.8369 4.8372 5.3028 5.3032 5.5973 5.5974 6.3227 6.3231 7.5926 7.5943 7.7002 7.7020 8.2882 8.2882 10.4548 10.4556 11.0451 11.0462 12.6210 12.6215 12.7501 12.7506 k = 0.7011-0.7550-1.4056 ( 4052 PWs) bands (ev): -6.9601 -6.9589 -6.6353 -6.6342 -4.6419 -4.6419 -2.0718 -2.0717 -0.8710 -0.8709 1.4283 1.4286 1.7270 1.7271 2.4949 2.4977 2.6311 2.6333 3.3817 3.3821 3.4425 3.4430 4.0273 4.0299 4.3590 4.3612 4.8656 4.8658 5.3094 5.3098 5.6340 5.6341 6.3860 6.3863 7.6309 7.6323 7.7739 7.7754 8.3205 8.3205 10.5154 10.5164 11.0276 11.0288 12.6941 12.6954 12.7214 12.7234 k = 0.6960-0.7341-1.3687 ( 4048 PWs) bands (ev): -6.9947 -6.9936 -6.6698 -6.6688 -4.7122 -4.7122 -2.1403 -2.1402 -0.9099 -0.9097 1.5334 1.5338 1.7253 1.7256 2.4937 2.4961 2.6732 2.6751 3.4560 3.4597 3.4733 3.4770 4.0948 4.0975 4.4213 4.4235 4.8832 4.8833 5.3265 5.3269 5.6755 5.6755 6.4501 6.4504 7.6715 7.6726 7.8470 7.8482 8.3524 8.3524 10.5774 10.5786 11.0076 11.0089 12.6782 12.6786 12.7900 12.7911 k = 0.6908-0.7132-1.3317 ( 4054 PWs) bands (ev): -7.0298 -7.0288 -6.7048 -6.7039 -4.7818 -4.7817 -2.2082 -2.2082 -0.9497 -0.9496 1.6395 1.6407 1.7179 1.7189 2.4942 2.4963 2.7222 2.7239 3.4781 3.4793 3.5652 3.5663 4.1616 4.1643 4.4824 4.4845 4.8897 4.8899 5.3545 5.3548 5.7218 5.7218 6.5150 6.5153 7.7141 7.7152 7.9190 7.9201 8.3839 8.3839 10.6403 10.6417 10.9861 10.9876 12.6505 12.6507 12.8742 12.8752 k = 0.6856-0.6923-1.2948 ( 4062 PWs) bands (ev): -7.0653 -7.0644 -6.7402 -6.7393 -4.8505 -4.8504 -2.2754 -2.2754 -0.9905 -0.9904 1.6935 1.6952 1.7578 1.7594 2.5007 2.5025 2.7762 2.7776 3.4951 3.4959 3.6610 3.6618 4.2276 4.2303 4.5419 4.5438 4.8872 4.8877 5.3918 5.3921 5.7730 5.7731 6.5807 6.5810 7.7587 7.7597 7.9895 7.9905 8.4148 8.4149 10.7030 10.7047 10.9644 10.9663 12.6267 12.6268 12.9561 12.9570 k = 0.6805-0.6713-1.2578 ( 4068 PWs) bands (ev): -7.1012 -7.1003 -6.7759 -6.7751 -4.9181 -4.9181 -2.3418 -2.3417 -1.0319 -1.0318 1.6727 1.6733 1.8687 1.8693 2.5146 2.5163 2.8340 2.8352 3.5104 3.5111 3.7582 3.7588 4.2926 4.2952 4.5987 4.6004 4.8795 4.8806 5.4360 5.4362 5.8292 5.8292 6.6473 6.6476 7.8050 7.8060 8.0581 8.0590 8.4451 8.4453 10.7629 10.7653 10.9454 10.9479 12.6075 12.6076 13.0302 13.0311 k = 0.6753-0.6504-1.2209 ( 4072 PWs) bands (ev): -7.1372 -7.1364 -6.8118 -6.8110 -4.9847 -4.9846 -2.4072 -2.4072 -1.0738 -1.0737 1.6422 1.6426 1.9833 1.9837 2.5364 2.5379 2.8949 2.8960 3.5245 3.5251 3.8556 3.8562 4.3567 4.3592 4.6508 4.6524 4.8712 4.8731 5.4845 5.4846 5.8902 5.8903 6.7150 6.7153 7.8528 7.8538 8.1242 8.1250 8.4751 8.4753 10.8125 10.8158 10.9368 10.9402 12.5932 12.5933 13.0887 13.0896 k = 0.6702-0.6295-1.1839 ( 4064 PWs) bands (ev): -7.1734 -7.1726 -6.8477 -6.8470 -5.0499 -5.0499 -2.4716 -2.4715 -1.1160 -1.1159 1.6056 1.6059 2.0995 2.0999 2.5654 2.5667 2.9584 2.9595 3.5378 3.5384 3.9524 3.9529 4.4196 4.4219 4.6934 4.6959 4.8688 4.8721 5.5351 5.5353 5.9560 5.9560 6.7841 6.7844 7.9020 7.9029 8.1871 8.1879 8.5050 8.5052 10.8341 10.8373 10.9576 10.9608 12.5841 12.5843 13.1231 13.1240 k = 0.6650-0.6086-1.1470 ( 4064 PWs) bands (ev): -7.2096 -7.2088 -6.8836 -6.8829 -5.1139 -5.1139 -2.5348 -2.5347 -1.1584 -1.1583 1.5641 1.5643 2.2167 2.2170 2.6004 2.6016 3.0240 3.0249 3.5512 3.5517 4.0478 4.0483 4.4812 4.4832 4.7203 4.7243 4.8808 4.8856 5.5864 5.5866 6.0263 6.0264 6.8546 6.8549 7.9522 7.9531 8.2459 8.2465 8.5354 8.5357 10.8274 10.8294 11.0082 11.0102 12.5802 12.5804 13.1302 13.1311 k = 0.6599-0.5877-1.1100 ( 4062 PWs) bands (ev): -7.2456 -7.2449 -6.9194 -6.9187 -5.1764 -5.1764 -2.5968 -2.5967 -1.2008 -1.2007 1.5191 1.5193 2.3339 2.3343 2.6404 2.6415 3.0908 3.0916 3.5657 3.5662 4.1408 4.1413 4.5410 4.5426 4.7305 4.7356 4.9113 4.9167 5.6371 5.6373 6.1010 6.1010 6.9270 6.9273 8.0032 8.0040 8.2992 8.2998 8.5671 8.5675 10.8101 10.8115 11.0692 11.0705 12.5814 12.5815 13.1144 13.1152 k = 0.6547-0.5668-1.0731 ( 4062 PWs) bands (ev): -7.2815 -7.2808 -6.9549 -6.9543 -5.2375 -5.2375 -2.6574 -2.6574 -1.2430 -1.2430 1.4716 1.4718 2.4503 2.4507 2.6841 2.6851 3.1582 3.1589 3.5829 3.5834 4.2306 4.2310 4.5975 4.5988 4.7330 4.7388 4.9541 4.9595 5.6863 5.6865 6.1797 6.1797 7.0014 7.0017 8.0547 8.0556 8.3459 8.3464 8.6012 8.6017 10.7899 10.7910 11.1330 11.1339 12.5872 12.5875 13.0828 13.0834 k = 0.6495-0.5458-1.0361 ( 4066 PWs) bands (ev): -7.3171 -7.3164 -6.9902 -6.9896 -5.2970 -5.2969 -2.7167 -2.7166 -1.2850 -1.2849 1.4225 1.4227 2.5642 2.5647 2.7305 2.7314 3.2252 3.2258 3.6048 3.6054 4.3157 4.3161 4.6458 4.6473 4.7406 4.7471 5.0025 5.0075 5.7334 5.7335 6.2622 6.2622 7.0781 7.0784 8.1066 8.1074 8.3848 8.3851 8.6387 8.6392 10.7693 10.7701 11.1971 11.1978 12.5972 12.5975 13.0408 13.0414 k = 0.6444-0.5249-0.9992 ( 4068 PWs) bands (ev): -7.3523 -7.3517 -7.0250 -7.0244 -5.3549 -5.3548 -2.7745 -2.7744 -1.3266 -1.3265 1.3725 1.3727 2.6734 2.6742 2.7787 2.7796 3.2911 3.2916 3.6341 3.6347 4.3944 4.3947 4.6775 4.6783 4.7686 4.7744 5.0528 5.0576 5.7777 5.7779 6.3481 6.3481 7.1571 7.1574 8.1585 8.1594 8.4153 8.4155 8.6797 8.6803 10.7491 10.7498 11.2607 11.2612 12.6101 12.6104 12.9920 12.9926 k = 0.6392-0.5040-0.9622 ( 4068 PWs) bands (ev): -7.3870 -7.3865 -7.0594 -7.0588 -5.4111 -5.4110 -2.8307 -2.8307 -1.3676 -1.3675 1.3222 1.3224 2.7736 2.7751 2.8291 2.8303 3.3559 3.3562 3.6732 3.6738 4.4640 4.4641 4.6956 4.6966 4.8173 4.8214 5.1035 5.1079 5.8191 5.8192 6.4370 6.4371 7.2386 7.2389 8.2104 8.2112 8.4377 8.4379 8.7238 8.7245 10.7296 10.7303 11.3231 11.3235 12.6244 12.6248 12.9388 12.9394 k = 0.6341-0.4831-0.9253 ( 4074 PWs) bands (ev): -7.4212 -7.4207 -7.0931 -7.0926 -5.4655 -5.4655 -2.8853 -2.8853 -1.4080 -1.4079 1.2720 1.2722 2.8536 2.8561 2.8883 2.8905 3.4213 3.4215 3.7238 3.7244 4.5212 4.5215 4.7155 4.7179 4.8748 4.8777 5.1539 5.1580 5.8572 5.8573 6.5287 6.5288 7.3225 7.3228 8.2619 8.2628 8.4531 8.4532 8.7700 8.7707 10.7111 10.7117 11.3841 11.3843 12.6379 12.6386 12.8824 12.8833 k = 0.6289-0.4622-0.8883 ( 4076 PWs) bands (ev): -7.4548 -7.4543 -7.1262 -7.1257 -5.5182 -5.5182 -2.9383 -2.9383 -1.4476 -1.4475 1.2223 1.2225 2.9079 2.9098 2.9588 2.9605 3.4910 3.4912 3.7859 3.7864 4.5644 4.5650 4.7456 4.7490 4.9358 4.9377 5.2036 5.2075 5.8920 5.8921 6.6226 6.6228 7.4086 7.4089 8.3130 8.3138 8.4623 8.4624 8.8173 8.8180 10.6936 10.6942 11.4434 11.4435 12.6480 12.6491 12.8241 12.8256 k = 0.6238-0.4413-0.8514 ( 4082 PWs) bands (ev): -7.4876 -7.4871 -7.1586 -7.1581 -5.5691 -5.5690 -2.9896 -2.9895 -1.4863 -1.4862 1.1734 1.1736 2.9527 2.9543 3.0190 3.0204 3.5689 3.5691 3.8583 3.8588 4.5966 4.5972 4.7852 4.7892 4.9983 4.9995 5.2528 5.2563 5.9234 5.9235 6.7184 6.7186 7.4968 7.4971 8.3634 8.3642 8.4665 8.4665 8.8646 8.8654 10.6771 10.6777 11.5007 11.5008 12.6514 12.6536 12.7647 12.7674 k = 0.6186-0.4203-0.8144 ( 4084 PWs) bands (ev): -7.5197 -7.5192 -7.1902 -7.1897 -5.6181 -5.6180 -3.0391 -3.0390 -1.5241 -1.5240 1.1255 1.1257 2.9925 2.9940 3.0632 3.0646 3.6570 3.6572 3.9393 3.9398 4.6240 4.6244 4.8296 4.8338 5.0610 5.0618 5.3014 5.3045 5.9516 5.9517 6.8155 6.8157 7.5867 7.5870 8.4130 8.4138 8.4664 8.4665 8.9113 8.9121 10.6614 10.6620 11.5558 11.5558 12.6437 12.6486 12.7062 12.7118 k = 0.6135-0.3994-0.7775 ( 4084 PWs) bands (ev): -7.5509 -7.5504 -7.2209 -7.2205 -5.6652 -5.6652 -3.0867 -3.0867 -1.5608 -1.5607 1.0789 1.0790 3.0273 3.0289 3.0931 3.0946 3.7540 3.7543 4.0274 4.0280 4.6516 4.6518 4.8746 4.8789 5.1227 5.1235 5.3497 5.3525 5.9767 5.9768 6.9134 6.9136 7.6780 7.6782 8.4601 8.4607 8.4644 8.4650 8.9568 8.9576 10.6466 10.6472 11.6080 11.6081 12.6147 12.6225 12.6603 12.6688 k = 0.6083-0.3785-0.7405 ( 4082 PWs) bands (ev): -7.5812 -7.5807 -7.2506 -7.2502 -5.7104 -5.7104 -3.1326 -3.1325 -1.5963 -1.5963 1.0336 1.0338 3.0562 3.0580 3.1126 3.1144 3.8572 3.8575 4.1217 4.1224 4.6823 4.6825 4.9182 4.9225 5.1821 5.1832 5.3979 5.4003 5.9988 5.9989 7.0115 7.0117 7.7701 7.7703 8.4561 8.4562 8.5102 8.5109 9.0008 9.0015 10.6325 10.6331 11.6567 11.6568 12.5623 12.5675 12.6359 12.6418 k = 0.6031-0.3576-0.7036 ( 4082 PWs) bands (ev): -7.6104 -7.6100 -7.2794 -7.2790 -5.7537 -5.7536 -3.1765 -3.1765 -1.6307 -1.6306 0.9899 0.9901 3.0777 3.0797 3.1266 3.1286 3.9635 3.9639 4.2213 4.2222 4.7176 4.7181 4.9595 4.9638 5.2383 5.2399 5.4465 5.4484 6.0181 6.0182 7.1091 7.1093 7.8624 7.8626 8.4474 8.4475 8.5575 8.5582 9.0429 9.0436 10.6190 10.6196 11.7006 11.7007 12.5013 12.5048 12.6146 12.6188 k = 0.5980-0.3367-0.6666 ( 4086 PWs) bands (ev): -7.6387 -7.6383 -7.3071 -7.3068 -5.7949 -5.7949 -3.2185 -3.2184 -1.6637 -1.6637 0.9479 0.9480 3.0900 3.0919 3.1394 3.1414 4.0702 4.0707 4.3260 4.3270 4.7582 4.7589 4.9983 5.0025 5.2905 5.2924 5.4954 5.4970 6.0349 6.0350 7.2053 7.2055 7.9543 7.9545 8.4371 8.4373 8.6041 8.6048 9.0829 9.0836 10.6060 10.6066 11.7377 11.7379 12.4373 12.4398 12.5947 12.5979 k = 0.5928-0.3158-0.6297 ( 4088 PWs) bands (ev): -7.6658 -7.6654 -7.3337 -7.3334 -5.8342 -5.8342 -3.2585 -3.2585 -1.6954 -1.6954 0.9075 0.9077 3.0938 3.0954 3.1524 3.1541 4.1754 4.1760 4.4349 4.4361 4.8043 4.8054 5.0347 5.0387 5.3383 5.3405 5.5447 5.5459 6.0493 6.0494 7.2993 7.2995 8.0450 8.0451 8.4262 8.4264 8.6504 8.6510 9.1207 9.1214 10.5933 10.5939 11.7660 11.7662 12.3716 12.3734 12.5798 12.5823 k = 0.5877-0.2948-0.5927 ( 4082 PWs) bands (ev): -7.6917 -7.6914 -7.3591 -7.3588 -5.8715 -5.8714 -3.2965 -3.2965 -1.7257 -1.7257 0.8691 0.8692 3.0919 3.0931 3.1642 3.1656 4.2779 4.2787 4.5470 4.5485 4.8558 4.8572 5.0689 5.0727 5.3815 5.3840 5.5940 5.5948 6.0616 6.0617 7.3897 7.3899 8.1336 8.1337 8.4156 8.4159 8.6966 8.6972 9.1562 9.1568 10.5809 10.5815 11.7829 11.7832 12.3042 12.3055 12.5738 12.5758 k = 0.5825-0.2739-0.5558 ( 4088 PWs) bands (ev): -7.7165 -7.7161 -7.3834 -7.3831 -5.9067 -5.9067 -3.3325 -3.3325 -1.7546 -1.7545 0.8325 0.8327 3.0864 3.0873 3.1738 3.1748 4.3772 4.3781 4.6607 4.6624 4.9123 4.9141 5.1011 5.1048 5.4204 5.4230 5.6427 5.6433 6.0720 6.0720 7.4753 7.4754 8.2189 8.2192 8.4066 8.4072 8.7431 8.7436 9.1893 9.1899 10.5687 10.5693 11.7866 11.7869 12.2353 12.2363 12.5802 12.5817 k = 0.5774-0.2530-0.5188 ( 4086 PWs) bands (ev): -7.7399 -7.7396 -7.4063 -7.4061 -5.9399 -5.9398 -3.3664 -3.3664 -1.7819 -1.7818 0.7979 0.7981 3.0789 3.0796 3.1807 3.1816 4.4729 4.4740 4.7738 4.7758 4.9737 4.9761 5.1321 5.1356 5.4555 5.4582 5.6903 5.6908 6.0806 6.0807 7.5541 7.5542 8.2995 8.3004 8.4009 8.4021 8.7904 8.7909 9.2200 9.2206 10.5567 10.5573 11.7766 11.7769 12.1649 12.1656 12.6005 12.6017 k = 0.5722-0.2321-0.4819 ( 4088 PWs) bands (ev): -7.7621 -7.7618 -7.4280 -7.4277 -5.9709 -5.9709 -3.3983 -3.3983 -1.8076 -1.8076 0.7654 0.7655 3.0702 3.0708 3.1852 3.1860 4.5650 4.5662 4.8828 4.8854 5.0400 5.0431 5.1630 5.1661 5.4872 5.4899 5.7362 5.7366 6.0876 6.0877 7.6241 7.6242 8.3706 8.3744 8.4020 8.4061 8.8390 8.8395 9.2482 9.2488 10.5447 10.5453 11.7540 11.7543 12.0930 12.0936 12.6346 12.6355 k = 0.5670-0.2112-0.4449 ( 4076 PWs) bands (ev): -7.7829 -7.7826 -7.4483 -7.4481 -5.9999 -5.9999 -3.4280 -3.4280 -1.8317 -1.8317 0.7349 0.7350 3.0608 3.0613 3.1876 3.1883 4.6534 4.6547 4.9830 4.9861 5.1104 5.1146 5.1974 5.2000 5.5161 5.5188 5.7799 5.7802 6.0933 6.0934 7.6830 7.6831 8.4008 8.4035 8.4487 8.4517 8.8895 8.8900 9.2739 9.2745 10.5330 10.5336 11.7213 11.7216 12.0198 12.0204 12.6805 12.6813 k = 0.5619-0.1903-0.4080 ( 4084 PWs) bands (ev): -7.8023 -7.8020 -7.4673 -7.4671 -6.0269 -6.0268 -3.4556 -3.4556 -1.8542 -1.8542 0.7065 0.7066 3.0513 3.0517 3.1882 3.1888 4.7379 4.7392 5.0689 5.0722 5.1764 5.1816 5.2472 5.2489 5.5429 5.5456 5.8210 5.8212 6.0978 6.0979 7.7288 7.7288 8.4177 8.4191 8.5105 8.5121 8.9421 8.9425 9.2972 9.2977 10.5214 10.5219 11.6811 11.6814 11.9459 11.9466 12.7360 12.7366 k = 0.5567-0.1693-0.3710 ( 4084 PWs) bands (ev): -7.8203 -7.8200 -7.4849 -7.4847 -6.0516 -6.0516 -3.4811 -3.4811 -1.8751 -1.8750 0.6803 0.6804 3.0418 3.0421 3.1875 3.1880 4.8182 4.8196 5.1366 5.1393 5.2275 5.2322 5.3246 5.3262 5.5685 5.5712 5.8592 5.8593 6.1011 6.1013 7.7605 7.7605 8.4426 8.4436 8.5653 8.5665 8.9965 8.9968 9.3180 9.3184 10.5099 10.5105 11.6362 11.6366 11.8719 11.8726 12.7984 12.7989 k = 0.5516-0.1484-0.3341 ( 4084 PWs) bands (ev): -7.8368 -7.8366 -7.5010 -7.5008 -6.0743 -6.0743 -3.5044 -3.5044 -1.8942 -1.8941 0.6562 0.6563 3.0325 3.0329 3.1857 3.1861 4.8939 4.8953 5.1840 5.1854 5.2779 5.2813 5.4135 5.4151 5.5951 5.5978 5.8942 5.8943 6.1035 6.1037 7.7785 7.7785 8.4761 8.4769 8.6127 8.6136 9.0520 9.0524 9.3363 9.3367 10.4988 10.4993 11.5888 11.5892 11.7985 11.7993 12.8654 12.8658 k = 0.5464-0.1275-0.2971 ( 4082 PWs) bands (ev): -7.8518 -7.8516 -7.5157 -7.5155 -6.0949 -6.0948 -3.5256 -3.5256 -1.9115 -1.9115 0.6344 0.6345 3.0238 3.0241 3.1832 3.1836 4.9647 4.9660 5.2149 5.2152 5.3336 5.3359 5.4962 5.4976 5.6281 5.6306 5.9260 5.9261 6.1051 6.1053 7.7847 7.7848 8.5163 8.5170 8.6529 8.6538 9.1077 9.1080 9.3523 9.3527 10.4880 10.4885 11.5406 11.5412 11.7269 11.7278 12.9349 12.9353 k = 0.5413-0.1066-0.2602 ( 4082 PWs) bands (ev): -7.8653 -7.8652 -7.5289 -7.5287 -6.1133 -6.1132 -3.5445 -3.5445 -1.9271 -1.9271 0.6148 0.6149 3.0157 3.0159 3.1803 3.1806 5.0301 5.0313 5.2361 5.2365 5.3903 5.3920 5.5568 5.5575 5.6785 5.6803 5.9545 5.9545 6.1061 6.1063 7.7818 7.7818 8.5606 8.5613 8.6868 8.6875 9.1620 9.1623 9.3659 9.3662 10.4777 10.4781 11.4932 11.4938 11.6583 11.6593 13.0050 13.0054 k = 0.5361-0.0857-0.2232 ( 4076 PWs) bands (ev): -7.8773 -7.8772 -7.5406 -7.5404 -6.1295 -6.1295 -3.5613 -3.5613 -1.9409 -1.9409 0.5975 0.5976 3.0083 3.0085 3.1772 3.1775 5.0895 5.0906 5.2522 5.2528 5.4447 5.4461 5.5914 5.5915 5.7471 5.7480 5.9795 5.9795 6.1064 6.1067 7.7725 7.7725 8.6062 8.6067 8.7150 8.7156 9.2137 9.2140 9.3773 9.3776 10.4680 10.4684 11.4477 11.4484 11.5941 11.5952 13.0737 13.0740 k = 0.5309-0.0648-0.1863 ( 4080 PWs) bands (ev): -7.8877 -7.8876 -7.5507 -7.5506 -6.1436 -6.1436 -3.5758 -3.5758 -1.9529 -1.9529 0.5825 0.5825 3.0017 3.0019 3.1741 3.1744 5.1423 5.1433 5.2652 5.2658 5.4949 5.4960 5.6116 5.6120 5.8198 5.8204 6.0010 6.0011 6.1064 6.1067 7.7593 7.7594 8.6505 8.6509 8.7382 8.7387 9.2613 9.2616 9.3866 9.3868 10.4590 10.4594 11.4052 11.4059 11.5358 11.5368 13.1390 13.1393 k = 0.5258-0.0439-0.1493 ( 4088 PWs) bands (ev): -7.8966 -7.8965 -7.5593 -7.5592 -6.1555 -6.1555 -3.5881 -3.5881 -1.9631 -1.9631 0.5697 0.5698 2.9960 2.9962 3.1713 3.1715 5.1881 5.1889 5.2757 5.2763 5.5397 5.5406 5.6254 5.6259 5.8876 5.8880 6.0190 6.0191 6.1061 6.1064 7.7444 7.7445 8.6913 8.6917 8.7571 8.7575 9.3037 9.3039 9.3939 9.3941 10.4510 10.4513 11.3664 11.3672 11.4846 11.4857 13.1991 13.1993 k = 0.5206-0.0229-0.1124 ( 4090 PWs) bands (ev): -7.9038 -7.9038 -7.5664 -7.5663 -6.1653 -6.1653 -3.5982 -3.5982 -1.9715 -1.9715 0.5593 0.5593 2.9913 2.9914 3.1687 3.1689 5.2262 5.2269 5.2842 5.2847 5.5779 5.5785 5.6357 5.6362 5.9464 5.9468 6.0336 6.0337 6.1058 6.1061 7.7297 7.7298 8.7269 8.7272 8.7721 8.7724 9.3398 9.3400 9.3996 9.3997 10.4442 10.4444 11.3325 11.3332 11.4419 11.4428 13.2517 13.2519 k = 0.5155-0.0020-0.0754 ( 4088 PWs) bands (ev): -7.9095 -7.9094 -7.5719 -7.5719 -6.1729 -6.1729 -3.6061 -3.6061 -1.9780 -1.9780 0.5511 0.5511 2.9876 2.9877 3.1667 3.1668 5.2561 5.2566 5.2910 5.2914 5.6083 5.6088 5.6436 5.6440 5.9940 5.9944 6.0449 6.0449 6.1054 6.1058 7.7166 7.7166 8.7558 8.7560 8.7838 8.7840 9.3687 9.3688 9.4038 9.4039 10.4386 10.4388 11.3045 11.3051 11.4083 11.4090 13.2949 13.2950 k = 0.5103 0.0189-0.0385 ( 4082 PWs) bands (ev): -7.9135 -7.9135 -7.5759 -7.5758 -6.1783 -6.1783 -3.6117 -3.6117 -1.9827 -1.9826 0.5453 0.5453 2.9849 2.9850 3.1651 3.1652 5.2769 5.2772 5.2969 5.2971 5.6299 5.6302 5.6500 5.6502 6.0287 6.0291 6.0530 6.0531 6.1052 6.1055 7.7063 7.7064 8.7765 8.7766 8.7928 8.7929 9.3893 9.3894 9.4070 9.4071 10.4344 10.4346 11.2834 11.2838 11.3843 11.3848 13.3261 13.3262 k = 0.5052 0.0398-0.0015 ( 4080 PWs) bands (ev): -7.9160 -7.9159 -7.5782 -7.5782 -6.1816 -6.1816 -3.6151 -3.6151 -1.9854 -1.9854 0.5418 0.5418 2.9833 2.9834 3.1642 3.1642 5.2877 5.2878 5.3021 5.3022 5.6414 5.6414 5.6555 5.6556 6.0488 6.0491 6.0591 6.0591 6.1052 6.1054 7.6998 7.6998 8.7877 8.7878 8.7996 8.7996 9.4006 9.4006 9.4102 9.4102 10.4319 10.4320 11.2703 11.2705 11.3699 11.3702 13.3418 13.3419 k = 0.5000 0.0607 0.0354 ( 4086 PWs) bands (ev): -7.9168 -7.9168 -7.5790 -7.5790 -6.1827 -6.1827 -3.6162 -3.6162 -1.9864 -1.9864 0.5407 0.5407 2.9828 2.9828 3.1639 3.1639 5.2906 5.2906 5.3046 5.3046 5.6444 5.6444 5.6581 5.6581 6.0542 6.0542 6.0626 6.0626 6.1053 6.1053 7.6975 7.6975 8.7909 8.7909 8.8024 8.8024 9.4034 9.4034 9.4122 9.4122 10.4311 10.4311 11.2660 11.2660 11.3653 11.3653 13.3445 13.3445 k = 0.5000 0.0607 0.0354 ( 4086 PWs) bands (ev): -7.9168 -7.9168 -7.5790 -7.5790 -6.1827 -6.1827 -3.6162 -3.6162 -1.9864 -1.9864 0.5407 0.5407 2.9828 2.9828 3.1639 3.1639 5.2906 5.2906 5.3046 5.3046 5.6444 5.6444 5.6581 5.6581 6.0542 6.0542 6.0626 6.0626 6.1053 6.1053 7.6975 7.6975 8.7909 8.7909 8.8024 8.8024 9.4034 9.4034 9.4122 9.4122 10.4311 10.4311 11.2660 11.2660 11.3653 11.3653 13.3445 13.3445 k = 0.4583 0.0557 0.0325 ( 4080 PWs) bands (ev): -7.9168 -7.9168 -7.5790 -7.5790 -6.1828 -6.1828 -3.6158 -3.6158 -1.9875 -1.9875 0.5446 0.5446 2.9146 2.9146 3.2351 3.2351 5.2907 5.2907 5.3046 5.3046 5.6444 5.6444 5.6581 5.6581 6.0540 6.0540 6.0626 6.0626 6.0906 6.0906 7.7102 7.7102 8.7910 8.7910 8.8024 8.8024 9.4034 9.4034 9.4122 9.4122 10.4199 10.4199 11.2693 11.2693 11.3698 11.3698 13.3445 13.3445 k = 0.4167 0.0506 0.0295 ( 4089 PWs) bands (ev): -7.9169 -7.9169 -7.5788 -7.5788 -6.1830 -6.1830 -3.6146 -3.6146 -1.9908 -1.9908 0.5564 0.5564 2.8003 2.8003 3.3582 3.3582 5.2906 5.2906 5.3046 5.3046 5.6444 5.6444 5.6581 5.6581 6.0455 6.0455 6.0564 6.0564 6.0626 6.0626 7.7466 7.7466 8.7909 8.7909 8.8024 8.8024 9.4035 9.4035 9.4122 9.4122 10.3880 10.3880 11.2771 11.2771 11.3843 11.3843 13.3444 13.3444 k = 0.3750 0.0455 0.0266 ( 4088 PWs) bands (ev): -7.9170 -7.9170 -7.5786 -7.5786 -6.1833 -6.1833 -3.6126 -3.6126 -1.9961 -1.9961 0.5756 0.5756 2.6821 2.6821 3.4913 3.4913 5.2906 5.2906 5.3046 5.3046 5.6444 5.6444 5.6581 5.6581 5.9801 5.9801 6.0547 6.0547 6.0626 6.0626 7.8026 7.8026 8.7909 8.7909 8.8024 8.8024 9.4035 9.4035 9.4123 9.4123 10.3390 10.3390 11.2852 11.2852 11.4092 11.4092 13.3444 13.3444 k = 0.3333 0.0405 0.0236 ( 4094 PWs) bands (ev): -7.9172 -7.9172 -7.5782 -7.5782 -6.1838 -6.1838 -3.6101 -3.6101 -2.0030 -2.0030 0.6013 0.6013 2.5666 2.5666 3.6282 3.6282 5.2906 5.2906 5.3046 5.3046 5.6444 5.6444 5.6581 5.6581 5.8938 5.8938 6.0546 6.0546 6.0626 6.0626 7.8729 7.8729 8.7909 8.7909 8.8023 8.8023 9.4035 9.4035 9.4123 9.4123 10.2776 10.2776 11.2912 11.2912 11.4428 11.4428 13.3443 13.3443 k = 0.2917 0.0354 0.0207 ( 4103 PWs) bands (ev): -7.9174 -7.9174 -7.5779 -7.5779 -6.1843 -6.1843 -3.6072 -3.6072 -2.0109 -2.0109 0.6326 0.6326 2.4561 2.4561 3.7668 3.7668 5.2906 5.2906 5.3046 5.3046 5.6443 5.6443 5.6580 5.6580 5.7928 5.7928 6.0546 6.0546 6.0626 6.0626 7.9522 7.9522 8.7909 8.7909 8.8023 8.8023 9.4035 9.4035 9.4123 9.4123 10.2083 10.2083 11.2952 11.2952 11.4810 11.4810 13.3443 13.3443 k = 0.2500 0.0304 0.0177 ( 4097 PWs) bands (ev): -7.9176 -7.9176 -7.5775 -7.5775 -6.1849 -6.1849 -3.6040 -3.6040 -2.0194 -2.0194 0.6679 0.6679 2.3525 2.3525 3.9061 3.9061 5.2906 5.2906 5.3046 5.3046 5.6442 5.6442 5.6580 5.6580 5.6815 5.6815 6.0546 6.0546 6.0626 6.0626 8.0355 8.0355 8.7908 8.7908 8.8023 8.8023 9.4036 9.4036 9.4124 9.4124 10.1353 10.1353 11.2977 11.2977 11.5203 11.5203 13.3442 13.3442 k = 0.2083 0.0253 0.0148 ( 4094 PWs) bands (ev): -7.9178 -7.9178 -7.5771 -7.5771 -6.1854 -6.1854 -3.6008 -3.6008 -2.0279 -2.0279 0.7053 0.7053 2.2577 2.2577 4.0448 4.0448 5.2906 5.2906 5.3046 5.3046 5.5629 5.5629 5.6444 5.6444 5.6580 5.6580 6.0546 6.0546 6.0627 6.0627 8.1181 8.1181 8.7908 8.7908 8.8022 8.8022 9.4036 9.4036 9.4124 9.4124 10.0625 10.0625 11.2993 11.2993 11.5575 11.5575 13.3442 13.3442 k = 0.1667 0.0202 0.0118 ( 4097 PWs) bands (ev): -7.9180 -7.9180 -7.5767 -7.5767 -6.1860 -6.1860 -3.5978 -3.5978 -2.0357 -2.0357 0.7425 0.7425 2.1738 2.1738 4.1812 4.1812 5.2906 5.2906 5.3046 5.3046 5.4411 5.4411 5.6443 5.6443 5.6580 5.6580 6.0546 6.0546 6.0627 6.0627 8.1956 8.1956 8.7908 8.7908 8.8022 8.8022 9.4037 9.4037 9.4124 9.4124 9.9938 9.9938 11.3004 11.3004 11.5905 11.5905 13.3441 13.3441 k = 0.1250 0.0152 0.0089 ( 4100 PWs) bands (ev): -7.9182 -7.9182 -7.5764 -7.5764 -6.1864 -6.1864 -3.5952 -3.5952 -2.0424 -2.0424 0.7766 0.7766 2.1036 2.1036 4.3126 4.3126 5.2904 5.2904 5.3046 5.3046 5.3203 5.3203 5.6443 5.6443 5.6579 5.6579 6.0546 6.0546 6.0627 6.0627 8.2631 8.2631 8.7907 8.7907 8.8022 8.8022 9.4037 9.4037 9.4125 9.4125 9.9334 9.9334 11.3011 11.3011 11.6177 11.6177 13.3440 13.3440 k = 0.0833 0.0101 0.0059 ( 4106 PWs) bands (ev): -7.9183 -7.9183 -7.5761 -7.5761 -6.1868 -6.1868 -3.5932 -3.5932 -2.0475 -2.0475 0.8045 0.8045 2.0501 2.0501 4.4327 4.4327 5.2066 5.2066 5.2907 5.2907 5.3046 5.3046 5.6443 5.6443 5.6579 5.6579 6.0546 6.0546 6.0627 6.0627 8.3162 8.3162 8.7907 8.7907 8.8022 8.8022 9.4037 9.4037 9.4125 9.4125 9.8856 9.8856 11.3016 11.3016 11.6379 11.6379 13.3440 13.3440 k = 0.0417 0.0051 0.0030 ( 4112 PWs) bands (ev): -7.9184 -7.9184 -7.5760 -7.5760 -6.1870 -6.1870 -3.5920 -3.5920 -2.0508 -2.0508 0.8229 0.8229 2.0164 2.0164 4.5272 4.5272 5.1160 5.1160 5.2907 5.2907 5.3046 5.3046 5.6442 5.6442 5.6579 5.6579 6.0546 6.0546 6.0627 6.0627 8.3503 8.3503 8.7907 8.7907 8.8021 8.8021 9.4037 9.4037 9.4125 9.4125 9.8548 9.8548 11.3018 11.3018 11.6503 11.6503 13.3440 13.3440 k = 0.0000 0.0000 0.0000 ( 4103 PWs) bands (ev): -7.9184 -7.9184 -7.5759 -7.5759 -6.1871 -6.1871 -3.5915 -3.5915 -2.0518 -2.0518 0.8293 0.8293 2.0049 2.0049 4.5662 4.5662 5.0782 5.0782 5.2907 5.2907 5.3046 5.3046 5.6443 5.6443 5.6579 5.6579 6.0546 6.0546 6.0627 6.0627 8.3621 8.3621 8.7907 8.7907 8.8021 8.8021 9.4037 9.4037 9.4125 9.4125 9.8441 9.8441 11.3019 11.3019 11.6545 11.6545 13.3440 13.3440 k = 0.0000 0.0000 0.0000 ( 4103 PWs) bands (ev): -7.9184 -7.9184 -7.5759 -7.5759 -6.1871 -6.1871 -3.5915 -3.5915 -2.0518 -2.0518 0.8293 0.8293 2.0049 2.0049 4.5662 4.5662 5.0782 5.0782 5.2907 5.2907 5.3046 5.3046 5.6443 5.6443 5.6579 5.6579 6.0546 6.0546 6.0627 6.0627 8.3621 8.3621 8.7907 8.7907 8.8021 8.8021 9.4037 9.4037 9.4125 9.4125 9.8441 9.8441 11.3019 11.3019 11.6545 11.6545 13.3440 13.3440 k = 0.0052-0.0209-0.0369 ( 4109 PWs) bands (ev): -7.9176 -7.9176 -7.5751 -7.5751 -6.1860 -6.1860 -3.5904 -3.5904 -2.0509 -2.0509 0.8303 0.8303 2.0058 2.0058 4.5657 4.5658 5.0732 5.0738 5.2898 5.2908 5.3041 5.3041 5.6417 5.6422 5.6558 5.6558 6.0502 6.0502 6.0595 6.0595 8.3617 8.3617 8.7877 8.7877 8.7994 8.7995 9.3995 9.3995 9.4100 9.4100 9.8488 9.8488 11.3077 11.3078 11.6567 11.6568 13.3417 13.3418 k = 0.0103-0.0418-0.0739 ( 4103 PWs) bands (ev): -7.9152 -7.9151 -7.5728 -7.5727 -6.1827 -6.1827 -3.5871 -3.5871 -2.0479 -2.0479 0.8333 0.8333 2.0087 2.0087 4.5643 4.5644 5.0589 5.0601 5.2879 5.2897 5.3024 5.3027 5.6334 5.6344 5.6505 5.6508 6.0335 6.0336 6.0535 6.0536 8.3604 8.3604 8.7775 8.7777 8.7927 8.7929 9.3827 9.3827 9.4070 9.4070 9.8624 9.8625 11.3250 11.3250 11.6635 11.6637 13.3275 13.3277 k = 0.0155-0.0627-0.1108 ( 4095 PWs) bands (ev): -7.9111 -7.9111 -7.5689 -7.5688 -6.1773 -6.1772 -3.5816 -3.5816 -2.0430 -2.0430 0.8382 0.8383 2.0134 2.0135 4.5619 4.5620 5.0362 5.0378 5.2846 5.2867 5.2995 5.3002 5.6177 5.6193 5.6439 5.6445 6.0045 6.0047 6.0455 6.0456 8.3576 8.3576 8.7592 8.7595 8.7837 8.7840 9.3542 9.3542 9.4039 9.4040 9.8836 9.8838 11.3532 11.3533 11.6747 11.6749 13.2989 13.2991 k = 0.0206-0.0836-0.1477 ( 4097 PWs) bands (ev): -7.9055 -7.9054 -7.5634 -7.5633 -6.1696 -6.1696 -3.5739 -3.5739 -2.0362 -2.0362 0.8451 0.8452 2.0200 2.0201 4.5581 4.5583 5.0056 5.0074 5.2794 5.2815 5.2947 5.2961 5.5949 5.5969 5.6360 5.6369 5.9656 5.9659 6.0347 6.0348 8.3523 8.3523 8.7344 8.7347 8.7719 8.7723 9.3165 9.3166 9.3998 9.3999 9.9109 9.9111 11.3914 11.3916 11.6899 11.6902 13.2591 13.2594 k = 0.0258-0.1045-0.1846 ( 4091 PWs) bands (ev): -7.8982 -7.8981 -7.5563 -7.5563 -6.1598 -6.1598 -3.5639 -3.5639 -2.0274 -2.0274 0.8540 0.8541 2.0285 2.0286 4.5528 4.5531 4.9680 4.9700 5.2718 5.2740 5.2873 5.2892 5.5653 5.5677 5.6262 5.6275 5.9193 5.9198 6.0207 6.0209 8.3431 8.3431 8.7052 8.7056 8.7568 8.7573 9.2715 9.2716 9.3943 9.3944 9.9429 9.9431 11.4387 11.4389 11.7088 11.7092 13.2106 13.2109 k = 0.0309-0.1254-0.2216 ( 4083 PWs) bands (ev): -7.8893 -7.8892 -7.5478 -7.5477 -6.1479 -6.1479 -3.5518 -3.5518 -2.0167 -2.0167 0.8648 0.8649 2.0389 2.0390 4.5455 4.5458 4.9241 4.9262 5.2615 5.2641 5.2761 5.2784 5.5288 5.5317 5.6141 5.6159 5.8687 5.8696 6.0036 6.0037 8.3277 8.3277 8.6744 8.6750 8.7378 8.7384 9.2205 9.2207 9.3870 9.3871 9.9786 9.9789 11.4936 11.4939 11.7310 11.7314 13.1554 13.1558 k = 0.0361-0.1463-0.2585 ( 4077 PWs) bands (ev): -7.8789 -7.8788 -7.5377 -7.5375 -6.1337 -6.1337 -3.5375 -3.5375 -2.0041 -2.0041 0.8775 0.8776 2.0510 2.0511 4.5355 4.5360 4.8747 4.8769 5.2475 5.2517 5.2601 5.2631 5.4847 5.4878 5.5996 5.6021 5.8181 5.8195 5.9830 5.9832 8.3036 8.3036 8.6452 8.6459 8.7143 8.7151 9.1651 9.1652 9.3777 9.3779 10.0173 10.0176 11.5546 11.5550 11.7557 11.7562 13.0957 13.0961 k = 0.0412-0.1672-0.2954 ( 4075 PWs) bands (ev): -7.8669 -7.8668 -7.5260 -7.5259 -6.1175 -6.1174 -3.5210 -3.5210 -1.9896 -1.9895 0.8921 0.8922 2.0650 2.0651 4.5220 4.5227 4.8205 4.8228 5.2273 5.2359 5.2380 5.2444 5.4319 5.4351 5.5831 5.5862 5.7721 5.7741 5.9591 5.9593 8.2684 8.2685 8.6202 8.6211 8.6855 8.6866 9.1065 9.1067 9.3664 9.3666 10.0583 10.0587 11.6201 11.6206 11.7825 11.7831 13.0334 13.0338 k = 0.0464-0.1881-0.3323 ( 4075 PWs) bands (ev): -7.8534 -7.8532 -7.5129 -7.5127 -6.0990 -6.0990 -3.5023 -3.5023 -1.9732 -1.9731 0.9085 0.9086 2.0807 2.0809 4.5040 4.5049 4.7627 4.7651 5.1974 5.2056 5.2177 5.2237 5.3713 5.3741 5.5651 5.5685 5.7341 5.7367 5.9318 5.9319 8.2211 8.2212 8.6009 8.6022 8.6507 8.6523 9.0462 9.0464 9.3528 9.3531 10.1011 10.1016 11.6878 11.6886 11.8109 11.8118 12.9706 12.9710 k = 0.0515-0.2090-0.3693 ( 4075 PWs) bands (ev): -7.8384 -7.8381 -7.4983 -7.4981 -6.0784 -6.0784 -3.4815 -3.4815 -1.9549 -1.9549 0.9268 0.9269 2.0982 2.0983 4.4799 4.4810 4.7023 4.7049 5.1540 5.1610 5.1938 5.1995 5.3089 5.3107 5.5462 5.5497 5.7052 5.7082 5.9011 5.9012 8.1621 8.1622 8.5858 8.5889 8.6090 8.6124 8.9858 8.9861 9.3370 9.3373 10.1454 10.1458 11.7541 11.7553 11.8421 11.8434 12.9093 12.9098 k = 0.0567-0.2299-0.4062 ( 4077 PWs) bands (ev): -7.8218 -7.8216 -7.4823 -7.4821 -6.0557 -6.0557 -3.4585 -3.4585 -1.9348 -1.9348 0.9468 0.9470 2.1172 2.1174 4.4479 4.4494 4.6408 4.6437 5.0909 5.0957 5.1644 5.1698 5.2548 5.2568 5.5267 5.5298 5.6848 5.6879 5.8671 5.8671 8.0931 8.0933 8.5549 8.5575 8.5821 8.5850 8.9268 8.9271 9.3187 9.3191 10.1907 10.1911 11.8101 11.8116 11.8823 11.8840 12.8516 12.8522 k = 0.0618-0.2508-0.4431 ( 4083 PWs) bands (ev): -7.8038 -7.8036 -7.4648 -7.4646 -6.0309 -6.0309 -3.4334 -3.4334 -1.9129 -1.9129 0.9686 0.9688 2.1379 2.1381 4.4062 4.4081 4.5798 4.5829 5.0048 5.0075 5.1316 5.1359 5.2142 5.2171 5.5061 5.5085 5.6712 5.6740 5.8298 5.8299 8.0159 8.0162 8.4983 8.4990 8.5769 8.5780 8.8703 8.8705 9.2980 9.2984 10.2365 10.2370 11.8453 11.8465 11.9401 11.9414 12.7996 12.8003 k = 0.0670-0.2717-0.4800 ( 4085 PWs) bands (ev): -7.7844 -7.7842 -7.4459 -7.4457 -6.0039 -6.0039 -3.4062 -3.4062 -1.8892 -1.8892 0.9920 0.9922 2.1601 2.1602 4.3539 4.3561 4.5200 4.5232 4.9014 4.9029 5.0985 5.1018 5.1822 5.1853 5.4835 5.4853 5.6630 5.6654 5.7894 5.7898 7.9324 7.9327 8.4314 8.4316 8.5741 8.5747 8.8166 8.8169 9.2749 9.2753 10.2827 10.2832 11.8633 11.8642 12.0084 12.0094 12.7554 12.7562 k = 0.0721-0.2926-0.5170 ( 4083 PWs) bands (ev): -7.7636 -7.7633 -7.4257 -7.4254 -5.9749 -5.9748 -3.3769 -3.3769 -1.8638 -1.8638 1.0171 1.0173 2.1837 2.1838 4.2915 4.2939 4.4608 4.4640 4.7871 4.7880 5.0674 5.0700 5.1528 5.1560 5.4581 5.4594 5.6587 5.6608 5.7464 5.7472 7.8441 7.8444 8.3562 8.3564 8.5724 8.5729 8.7657 8.7660 9.2493 9.2498 10.3288 10.3293 11.8692 11.8698 12.0797 12.0806 12.7205 12.7215 k = 0.0773-0.3135-0.5539 ( 4089 PWs) bands (ev): -7.7414 -7.7411 -7.4041 -7.4038 -5.9437 -5.9437 -3.3456 -3.3455 -1.8367 -1.8367 1.0437 1.0439 2.2085 2.2087 4.2211 4.2235 4.4005 4.4036 4.6659 4.6665 5.0394 5.0416 5.1235 5.1267 5.4295 5.4303 5.6560 5.6582 5.7020 5.7041 7.7520 7.7523 8.2743 8.2745 8.5710 8.5714 8.7168 8.7171 9.2213 9.2218 10.3745 10.3750 11.8641 11.8646 12.1513 12.1521 12.6960 12.6971 k = 0.0825-0.3344-0.5908 ( 4087 PWs) bands (ev): -7.7180 -7.7176 -7.3813 -7.3810 -5.9105 -5.9104 -3.3121 -3.3121 -1.8080 -1.8079 1.0717 1.0720 2.2345 2.2347 4.1449 4.1473 4.3376 4.3405 4.5401 4.5405 5.0151 5.0169 5.0929 5.0962 5.3971 5.3979 5.6403 5.6440 5.6696 5.6740 7.6572 7.6576 8.1870 8.1873 8.5693 8.5697 8.6691 8.6695 9.1908 9.1913 10.4195 10.4201 11.8484 11.8488 12.2222 12.2230 12.6815 12.6829 k = 0.0876-0.3553-0.6277 ( 4087 PWs) bands (ev): -7.6932 -7.6929 -7.3572 -7.3568 -5.8752 -5.8752 -3.2767 -3.2767 -1.7776 -1.7775 1.1012 1.1014 2.2615 2.2617 4.0648 4.0672 4.2712 4.2740 4.4113 4.4115 4.9941 4.9958 5.0606 5.0640 5.3607 5.3616 5.5970 5.5987 5.6687 5.6712 7.5606 7.5610 8.0957 8.0961 8.5668 8.5672 8.6221 8.6224 9.1579 9.1584 10.4636 10.4642 11.8229 11.8232 12.2920 12.2930 12.6759 12.6774 k = 0.0928-0.3762-0.6647 ( 4085 PWs) bands (ev): -7.6673 -7.6669 -7.3318 -7.3315 -5.8379 -5.8378 -3.2392 -3.2392 -1.7456 -1.7456 1.1319 1.1322 2.2891 2.2893 3.9822 3.9846 4.2013 4.2040 4.2805 4.2807 4.9761 4.9777 5.0261 5.0297 5.3200 5.3209 5.5473 5.5482 5.6729 5.6747 7.4630 7.4634 8.0016 8.0020 8.5612 8.5623 8.5766 8.5773 9.1226 9.1232 10.5066 10.5072 11.7890 11.7893 12.3606 12.3617 12.6768 12.6785 k = 0.0979-0.3972-0.7016 ( 4083 PWs) bands (ev): -7.6401 -7.6398 -7.3054 -7.3050 -5.7985 -5.7985 -3.1998 -3.1998 -1.7122 -1.7122 1.1638 1.1641 2.3172 2.3173 3.8980 3.9004 4.1277 4.1304 4.1494 4.1496 4.9599 4.9618 4.9893 4.9933 5.2749 5.2758 5.4961 5.4965 5.6783 5.6797 7.3649 7.3653 7.9057 7.9060 8.5247 8.5256 8.5610 8.5614 9.0851 9.0858 10.5482 10.5489 11.7484 11.7486 12.4280 12.4293 12.6812 12.6833 k = 0.1031-0.4181-0.7385 ( 4089 PWs) bands (ev): -7.6119 -7.6115 -7.2778 -7.2774 -5.7572 -5.7571 -3.1585 -3.1585 -1.6773 -1.6773 1.1967 1.1970 2.3452 2.3453 3.8131 3.8154 4.0165 4.0169 4.0535 4.0558 4.9419 4.9436 4.9534 4.9575 5.2252 5.2260 5.4442 5.4446 5.6839 5.6851 7.2671 7.2675 7.8087 7.8091 8.4764 8.4771 8.5548 8.5549 9.0455 9.0461 10.5883 10.5889 11.7025 11.7027 12.4939 12.4956 12.6863 12.6888 k = 0.1082-0.4390-0.7754 ( 4087 PWs) bands (ev): -7.5826 -7.5822 -7.2491 -7.2487 -5.7139 -5.7138 -3.1152 -3.1152 -1.6411 -1.6410 1.2306 1.2309 2.3726 2.3728 3.7278 3.7301 3.8864 3.8867 3.9759 3.9782 4.9043 4.9062 4.9362 4.9370 5.1714 5.1719 5.3920 5.3927 5.6892 5.6903 7.1701 7.1705 7.7115 7.7119 8.4267 8.4274 8.5472 8.5472 9.0038 9.0045 10.6267 10.6273 11.6527 11.6528 12.5582 12.5606 12.6895 12.6927 k = 0.1134-0.4599-0.8124 ( 4081 PWs) bands (ev): -7.5523 -7.5519 -7.2195 -7.2191 -5.6686 -5.6685 -3.0701 -3.0701 -1.6035 -1.6035 1.2652 1.2655 2.3987 2.3988 3.6422 3.6445 3.7590 3.7593 3.8974 3.8997 4.8579 4.8604 4.9222 4.9231 5.1140 5.1145 5.3398 5.3409 5.6938 5.6947 7.0745 7.0748 7.6147 7.6151 8.3758 8.3765 8.5377 8.5378 8.9604 8.9611 10.6632 10.6638 11.5999 11.5999 12.6191 12.6235 12.6894 12.6944 k = 0.1185-0.4808-0.8493 ( 4077 PWs) bands (ev): -7.5211 -7.5206 -7.1889 -7.1885 -5.6214 -5.6213 -3.0231 -3.0231 -1.5648 -1.5647 1.3004 1.3007 2.4223 2.4224 3.5545 3.5568 3.6379 3.6382 3.8185 3.8207 4.8071 4.8098 4.9071 4.9084 5.0543 5.0554 5.2875 5.2890 5.6972 5.6979 6.9807 6.9811 7.5190 7.5194 8.3238 8.3245 8.5261 8.5261 8.9155 8.9162 10.6978 10.6984 11.5445 11.5446 12.6618 12.6691 12.6999 12.7078 k = 0.1237-0.5017-0.8862 ( 4077 PWs) bands (ev): -7.4890 -7.4885 -7.1575 -7.1570 -5.5723 -5.5723 -2.9744 -2.9744 -1.5249 -1.5248 1.3359 1.3362 2.4419 2.4420 3.4596 3.4615 3.5307 3.5309 3.7396 3.7418 4.7517 4.7543 4.8884 4.8903 4.9951 4.9972 5.2348 5.2367 5.6988 5.6995 6.8894 6.8897 7.4249 7.4253 8.2709 8.2716 8.5119 8.5119 8.8695 8.8702 10.7302 10.7308 11.4871 11.4872 12.6612 12.6636 12.7547 12.7576 k = 0.1288-0.5226-0.9231 ( 4079 PWs) bands (ev): -7.4562 -7.4556 -7.1252 -7.1248 -5.5214 -5.5213 -2.9239 -2.9239 -1.4840 -1.4839 1.3717 1.3719 2.4552 2.4554 3.3543 3.3557 3.4431 3.4435 3.6615 3.6636 4.6913 4.6937 4.8611 4.8635 4.9422 4.9455 5.1814 5.1836 5.6983 5.6989 6.8008 6.8011 7.3328 7.3332 8.2171 8.2179 8.4947 8.4947 8.8229 8.8236 10.7604 10.7611 11.4279 11.4281 12.6461 12.6472 12.8144 12.8159 k = 0.1340-0.5435-0.9601 ( 4081 PWs) bands (ev): -7.4226 -7.4220 -7.0923 -7.0917 -5.4686 -5.4686 -2.8718 -2.8717 -1.4421 -1.4421 1.4073 1.4076 2.4594 2.4596 3.2463 3.2475 3.3706 3.3711 3.5846 3.5865 4.6254 4.6275 4.8186 4.8205 4.9039 4.9071 5.1272 5.1297 5.6952 5.6957 6.7155 6.7157 7.2434 7.2438 8.1629 8.1636 8.4738 8.4738 8.7765 8.7772 10.7883 10.7890 11.3670 11.3673 12.6267 12.6273 12.8732 12.8741 k = 0.1391-0.5644-0.9970 ( 4071 PWs) bands (ev): -7.3884 -7.3878 -7.0586 -7.0581 -5.4141 -5.4141 -2.8179 -2.8179 -1.3994 -1.3994 1.4426 1.4429 2.4507 2.4510 3.1430 3.1443 3.3101 3.3107 3.5094 3.5112 4.5541 4.5559 4.7636 4.7642 4.8772 4.8798 5.0718 5.0746 5.6890 5.6894 6.6337 6.6340 7.1569 7.1573 8.1083 8.1090 8.4484 8.4486 8.7311 8.7318 10.8137 10.8144 11.3046 11.3051 12.6061 12.6065 12.9298 12.9304 k = 0.1443-0.5853-1.0339 ( 4059 PWs) bands (ev): -7.3536 -7.3530 -7.0244 -7.0238 -5.3578 -5.3578 -2.7625 -2.7625 -1.3560 -1.3560 1.4773 1.4775 2.4251 2.4254 3.0480 3.0493 3.2623 3.2630 3.4365 3.4381 4.4777 4.4791 4.7029 4.7034 4.8541 4.8562 5.0153 5.0184 5.6792 5.6796 6.5558 6.5560 7.0738 7.0742 8.0538 8.0545 8.4179 8.4180 8.6878 8.6883 10.8363 10.8371 11.2411 11.2417 12.5863 12.5867 12.9834 12.9840 k = 0.1495-0.6062-1.0708 ( 4067 PWs) bands (ev): -7.3184 -7.3177 -6.9897 -6.9891 -5.2999 -5.2999 -2.7056 -2.7056 -1.3121 -1.3120 1.5110 1.5113 2.3801 2.3804 2.9622 2.9637 3.2284 3.2294 3.3665 3.3679 4.3967 4.3979 4.6399 4.6411 4.8307 4.8325 4.9577 4.9611 5.6654 5.6658 6.4820 6.4822 6.9943 6.9947 7.9997 8.0004 8.3812 8.3815 8.6473 8.6478 10.8557 10.8568 11.1768 11.1778 12.5691 12.5694 13.0327 13.0332 k = 0.1546-0.6271-1.1078 ( 4065 PWs) bands (ev): -7.2828 -7.2821 -6.9546 -6.9540 -5.2404 -5.2403 -2.6473 -2.6472 -1.2677 -1.2676 1.5435 1.5437 2.3159 2.3163 2.8849 2.8866 3.2082 3.2097 3.3011 3.3023 4.3121 4.3130 4.5762 4.5780 4.8054 4.8072 4.8994 4.9030 5.6474 5.6477 6.4123 6.4125 6.9184 6.9188 7.9464 7.9472 8.3382 8.3385 8.6103 8.6108 10.8711 10.8726 11.1129 11.1143 12.5556 12.5559 13.0758 13.0764 k = 0.1598-0.6480-1.1447 ( 4063 PWs) bands (ev): -7.2469 -7.2462 -6.9191 -6.9185 -5.1793 -5.1792 -2.5875 -2.5874 -1.2230 -1.2229 1.5743 1.5746 2.2358 2.2361 2.8141 2.8158 3.1926 3.1948 3.2488 3.2495 4.2245 4.2252 4.5119 4.5141 4.7769 4.7787 4.8415 4.8453 5.6249 5.6252 6.3469 6.3470 6.8463 6.8467 7.8945 7.8952 8.2890 8.2894 8.5769 8.5772 10.8801 10.8822 11.0519 11.0540 12.5466 12.5468 13.1099 13.1106 k = 0.1649-0.6689-1.1816 ( 4069 PWs) bands (ev): -7.2108 -7.2100 -6.8835 -6.8828 -5.1167 -5.1166 -2.5264 -2.5264 -1.1782 -1.1781 1.6032 1.6034 2.1440 2.1443 2.7477 2.7496 3.1530 3.1550 3.2364 3.2366 4.1350 4.1356 4.4470 4.4496 4.7418 4.7432 4.7878 4.7913 5.5978 5.5980 6.2856 6.2857 6.7777 6.7780 7.8442 7.8450 8.2341 8.2345 8.5465 8.5468 10.8756 10.8788 11.0010 11.0042 12.5425 12.5427 13.1310 13.1319 k = 0.1701-0.6898-1.2185 ( 4065 PWs) bands (ev): -7.1746 -7.1738 -6.8477 -6.8469 -5.0526 -5.0526 -2.4641 -2.4641 -1.1334 -1.1333 1.6297 1.6300 2.0448 2.0451 2.6849 2.6868 3.0986 3.1003 3.2513 3.2519 4.0444 4.0448 4.3816 4.3844 4.6938 4.6943 4.7453 4.7474 5.5663 5.5664 6.2283 6.2283 6.7122 6.7126 7.7962 7.7970 8.1744 8.1750 8.5185 8.5188 10.8460 10.8493 10.9735 10.9769 12.5435 12.5437 13.1341 13.1351 k = 0.1752-0.7107-1.2555 ( 4057 PWs) bands (ev): -7.1384 -7.1376 -6.8119 -6.8111 -4.9873 -4.9873 -2.4007 -2.4006 -1.0888 -1.0887 1.6535 1.6539 1.9411 1.9415 2.6251 2.6269 3.0438 3.0452 3.2767 3.2774 3.9534 3.9538 4.3156 4.3186 4.6343 4.6358 4.7113 4.7124 5.5304 5.5306 6.1746 6.1747 6.6494 6.6498 7.7509 7.7516 8.1109 8.1115 8.4924 8.4926 10.7938 10.7964 10.9675 10.9701 12.5498 12.5499 13.1149 13.1159 k = 0.1804-0.7316-1.2924 ( 4055 PWs) bands (ev): -7.1024 -7.1015 -6.7761 -6.7752 -4.9207 -4.9207 -2.3362 -2.3361 -1.0446 -1.0445 1.6742 1.6748 1.8355 1.8360 2.5682 2.5699 2.9908 2.9920 3.3080 3.3088 3.8629 3.8632 4.2490 4.2521 4.5706 4.5727 4.6802 4.6808 5.4908 5.4909 6.1244 6.1245 6.5887 6.5891 7.7086 7.7094 8.0442 8.0448 8.4675 8.4677 10.7319 10.7339 10.9691 10.9712 12.5610 12.5612 13.0730 13.0741 k = 0.1855-0.7525-1.3293 ( 4051 PWs) bands (ev): -7.0665 -7.0655 -6.7405 -6.7396 -4.8530 -4.8530 -2.2707 -2.2706 -1.0010 -1.0009 1.6896 1.6913 1.7306 1.7322 2.5143 2.5160 2.9398 2.9409 3.3428 3.3436 3.7739 3.7741 4.1819 4.1851 4.5051 4.5074 4.6505 4.6509 5.4478 5.4479 6.0772 6.0772 6.5295 6.5298 7.6698 7.6706 7.9749 7.9757 8.4436 8.4437 10.6671 10.6687 10.9722 10.9739 12.5771 12.5773 13.0133 13.0144 k = 0.1907-0.7734-1.3662 ( 4047 PWs) bands (ev): -7.0309 -7.0299 -6.7052 -6.7042 -4.7843 -4.7843 -2.2044 -2.2043 -0.9581 -0.9580 1.6212 1.6218 1.7091 1.7095 2.4637 2.4653 2.8904 2.8913 3.3796 3.3802 3.6873 3.6873 4.1147 4.1179 4.4386 4.4409 4.6225 4.6227 5.4021 5.4023 6.0325 6.0326 6.4710 6.4713 7.6347 7.6356 7.9037 7.9045 8.4202 8.4203 10.6017 10.6030 10.9748 10.9763 12.5978 12.5979 12.9420 12.9430 k = 0.1958-0.7943-1.4032 ( 4043 PWs) bands (ev): -6.9958 -6.9947 -6.6702 -6.6692 -4.7147 -4.7147 -2.1373 -2.1372 -0.9163 -0.9162 1.5176 1.5178 1.7203 1.7204 2.4165 2.4180 2.8416 2.8424 3.4167 3.4169 3.6042 3.6045 4.0475 4.0507 4.3714 4.3738 4.5966 4.5968 5.3545 5.3546 5.9900 5.9901 6.4126 6.4130 7.6035 7.6044 7.8308 7.8318 8.3972 8.3973 10.5369 10.5381 10.9761 10.9774 12.6226 12.6227 12.8645 12.8655 k = 0.2010-0.8152-1.4401 ( 4045 PWs) bands (ev): -6.9612 -6.9600 -6.6358 -6.6347 -4.6444 -4.6443 -2.0697 -2.0696 -0.8756 -0.8755 1.4153 1.4155 1.7288 1.7290 2.3727 2.3742 2.7925 2.7931 3.4504 3.4518 3.5268 3.5286 3.9808 3.9840 4.3039 4.3063 4.5736 4.5737 5.3055 5.3057 5.9492 5.9493 6.3540 6.3544 7.5760 7.5771 7.7568 7.7580 8.3744 8.3745 10.4735 10.4746 10.9757 10.9769 12.6507 12.6509 12.7849 12.7860 k = 0.2061-0.8361-1.4770 ( 4041 PWs) bands (ev): -6.9271 -6.9260 -6.6019 -6.6008 -4.5735 -4.5734 -2.0015 -2.0014 -0.8364 -0.8362 1.3154 1.3155 1.7346 1.7348 2.3327 2.3340 2.7417 2.7422 3.4416 3.4458 3.4937 3.4983 3.9155 3.9185 4.2366 4.2390 4.5543 4.5544 5.2560 5.2562 5.9098 5.9099 6.2948 6.2952 7.5521 7.5535 7.6820 7.6836 8.3518 8.3519 10.4120 10.4129 10.9734 10.9745 12.6747 12.6752 12.7127 12.7140 k = 0.2113-0.8570-1.5139 ( 4053 PWs) bands (ev): -6.8939 -6.8926 -6.5687 -6.5675 -4.5021 -4.5021 -1.9330 -1.9329 -0.7987 -0.7986 1.2184 1.2185 1.7379 1.7382 2.2964 2.2976 2.6880 2.6885 3.3801 3.3823 3.5204 3.5227 3.8528 3.8557 4.1698 4.1721 4.5392 4.5393 5.2067 5.2068 5.8714 5.8715 6.2348 6.2352 7.5307 7.5330 7.6073 7.6097 8.3292 8.3293 10.3528 10.3537 10.9690 10.9701 12.6195 12.6201 12.7249 12.7253 k = 0.2164-0.8779-1.5509 ( 4053 PWs) bands (ev): -6.8614 -6.8601 -6.5363 -6.5351 -4.4306 -4.4306 -1.8643 -1.8641 -0.7628 -0.7627 1.1248 1.1249 1.7392 1.7395 2.2638 2.2649 2.6305 2.6309 3.3219 3.3236 3.5412 3.5428 3.7956 3.7983 4.1043 4.1066 4.5289 4.5291 5.1582 5.1583 5.8336 5.8337 6.1740 6.1744 7.5047 7.5097 7.5384 7.5436 8.3066 8.3066 10.2962 10.2970 10.9624 10.9634 12.5440 12.5447 12.7625 12.7627 k = 0.2216-0.8988-1.5878 ( 4051 PWs) bands (ev): -6.8299 -6.8285 -6.5048 -6.5035 -4.3591 -4.3590 -1.7955 -1.7953 -0.7289 -0.7288 1.0349 1.0350 1.7387 1.7390 2.2351 2.2360 2.5687 2.5690 3.2711 3.2727 3.5471 3.5482 3.7491 3.7516 4.0414 4.0436 4.5240 4.5242 5.1112 5.1113 5.7963 5.7964 6.1126 6.1129 7.4460 7.4484 7.5106 7.5133 8.2838 8.2839 10.2426 10.2434 10.9533 10.9543 12.4709 12.4716 12.8036 12.8038 k = 0.2268-0.9197-1.6247 ( 4053 PWs) bands (ev): -6.7993 -6.7979 -6.4743 -6.4730 -4.2877 -4.2877 -1.7268 -1.7266 -0.6972 -0.6970 0.9491 0.9491 1.7368 1.7371 2.2100 2.2108 2.5026 2.5028 3.2281 3.2297 3.5294 3.5309 3.7184 3.7212 3.9832 3.9853 4.5247 4.5248 5.0664 5.0665 5.7593 5.7594 6.0506 6.0510 7.3724 7.3736 7.4995 7.5009 8.2609 8.2610 10.1922 10.1930 10.9415 10.9424 12.4019 12.4027 12.8471 12.8474 k = 0.2319-0.9406-1.6617 ( 4051 PWs) bands (ev): -6.7699 -6.7684 -6.4449 -6.4435 -4.2169 -4.2169 -1.6583 -1.6581 -0.6678 -0.6676 0.8677 0.8677 1.7336 1.7340 2.1883 2.1889 2.4330 2.4331 3.1928 3.1944 3.4894 3.4915 3.6987 3.7020 3.9334 3.9354 4.5310 4.5312 5.0243 5.0245 5.7224 5.7225 5.9885 5.9889 7.2971 7.2978 7.4922 7.4931 8.2376 8.2377 10.1454 10.1461 10.9266 10.9275 12.3379 12.3386 12.8925 12.8927 k = 0.2371-0.9615-1.6986 ( 4043 PWs) bands (ev): -6.7417 -6.7401 -6.4167 -6.4152 -4.1469 -4.1469 -1.5903 -1.5901 -0.6408 -0.6406 0.7911 0.7911 1.7293 1.7298 2.1695 2.1699 2.3614 2.3616 3.1644 3.1661 3.4367 3.4390 3.6757 3.6791 3.8973 3.8989 4.5429 4.5430 4.9856 4.9857 5.6856 5.6857 5.9267 5.9270 7.2217 7.2222 7.4876 7.4883 8.2141 8.2142 10.1023 10.1030 10.9084 10.9093 12.2795 12.2802 12.9393 12.9395 k = 0.2422-0.9824-1.7355 ( 4036 PWs) bands (ev): -6.7147 -6.7131 -6.3897 -6.3881 -4.0780 -4.0779 -1.5229 -1.5226 -0.6165 -0.6163 0.7196 0.7197 1.7236 1.7242 2.1519 2.1521 2.2906 2.2911 3.1422 3.1439 3.3786 3.3810 3.6396 3.6429 3.8768 3.8780 4.5599 4.5601 4.9506 4.9507 5.6490 5.6491 5.8655 5.8658 7.1468 7.1471 7.4852 7.4859 8.1901 8.1902 10.0632 10.0639 10.8866 10.8875 12.2274 12.2281 12.9870 12.9873 k = 0.2474-1.0033-1.7724 ( 4034 PWs) bands (ev): -6.6891 -6.6874 -6.3640 -6.3624 -4.0104 -4.0104 -1.4563 -1.4560 -0.5948 -0.5946 0.6537 0.6538 1.7159 1.7165 2.1301 2.1310 2.2273 2.2286 3.1251 3.1269 3.3193 3.3216 3.5909 3.5940 3.8677 3.8683 4.5817 4.5818 4.9195 4.9197 5.6126 5.6127 5.8055 5.8058 7.0727 7.0729 7.4849 7.4854 8.1657 8.1658 10.0282 10.0288 10.8610 10.8619 12.1819 12.1825 13.0354 13.0356 k = 0.2525-1.0242-1.8094 ( 4028 PWs) bands (ev): -6.6649 -6.6631 -6.3398 -6.3381 -3.9446 -3.9446 -1.3908 -1.3904 -0.5760 -0.5757 0.5938 0.5938 1.7049 1.7056 2.0925 2.0943 2.1857 2.1880 3.1112 3.1133 3.2617 3.2638 3.5345 3.5375 3.8632 3.8636 4.6075 4.6076 4.8927 4.8928 5.5767 5.5767 5.7472 5.7476 6.9997 6.9999 7.4862 7.4867 8.1408 8.1410 9.9975 9.9981 10.8315 10.8323 12.1433 12.1440 13.0840 13.0843 k = 0.2577-1.0451-1.8463 ( 4028 PWs) bands (ev): -6.6422 -6.6403 -6.3170 -6.3152 -3.8810 -3.8809 -1.3264 -1.3261 -0.5600 -0.5596 0.5401 0.5402 1.6883 1.6889 2.0397 2.0418 2.1693 2.1718 3.0965 3.0991 3.2105 3.2122 3.4742 3.4771 3.8589 3.8591 4.6366 4.6367 4.8697 4.8699 5.5414 5.5415 5.6912 5.6916 6.9280 6.9282 7.4892 7.4896 8.1155 8.1157 9.9712 9.9719 10.7980 10.7988 12.1118 12.1125 13.1327 13.1330 k = 0.2628-1.0660-1.8832 ( 4026 PWs) bands (ev): -6.6210 -6.6190 -6.2957 -6.2939 -3.8198 -3.8198 -1.2635 -1.2631 -0.5468 -0.5464 0.4932 0.4933 1.6626 1.6632 1.9877 1.9899 2.1656 2.1680 3.0717 3.0749 3.1751 3.1761 3.4122 3.4150 3.8526 3.8528 4.6679 4.6680 4.8504 4.8505 5.5074 5.5074 5.6381 5.6385 6.8579 6.8581 7.4936 7.4940 8.0897 8.0899 9.9494 9.9501 10.7607 10.7615 12.0874 12.0880 13.1812 13.1816 k = 0.2680-1.0869-1.9201 ( 4028 PWs) bands (ev): -6.6013 -6.5993 -6.2760 -6.2741 -3.7616 -3.7616 -1.2023 -1.2018 -0.5366 -0.5362 0.4534 0.4535 1.6243 1.6248 1.9465 1.9489 2.1684 2.1709 3.0302 3.0335 3.1624 3.1627 3.3500 3.3528 3.8433 3.8435 4.7004 4.7004 4.8341 4.8342 5.4751 5.4751 5.5886 5.5889 6.7897 6.7899 7.4994 7.4998 8.0635 8.0637 9.9323 9.9330 10.7198 10.7205 12.0697 12.0703 13.2294 13.2298 k = 0.2731-1.1078-1.9571 ( 4028 PWs) bands (ev): -6.5832 -6.5811 -6.2578 -6.2559 -3.7066 -3.7066 -1.1430 -1.1424 -0.5293 -0.5288 0.4212 0.4213 1.5724 1.5727 1.9196 1.9222 2.1758 2.1784 2.9787 2.9820 3.1648 3.1650 3.2887 3.2916 3.8308 3.8310 4.7326 4.7327 4.8200 4.8202 5.4452 5.4453 5.5432 5.5435 6.7237 6.7239 7.5064 7.5068 8.0370 8.0372 9.9199 9.9206 10.6756 10.6764 12.0584 12.0590 13.2772 13.2774 k = 0.2783-1.1287-1.9940 ( 4034 PWs) bands (ev): -6.5668 -6.5646 -6.2413 -6.2393 -3.6553 -3.6553 -1.0857 -1.0851 -0.5250 -0.5244 0.3969 0.3969 1.5089 1.5091 1.9056 1.9084 2.1871 2.1898 2.9240 2.9272 3.1732 3.1738 3.2310 3.2340 3.8155 3.8157 4.7629 4.7630 4.8074 4.8077 5.4188 5.4189 5.5025 5.5028 6.6603 6.6605 7.5147 7.5151 8.0102 8.0105 9.9122 9.9130 10.6286 10.6294 12.0530 12.0536 13.2907 13.2908 k = 0.2834-1.1496-2.0309 ( 4038 PWs) bands (ev): -6.5519 -6.5497 -6.2264 -6.2243 -3.6080 -3.6080 -1.0309 -1.0301 -0.5234 -0.5228 0.3808 0.3809 1.4376 1.4378 1.9015 1.9044 2.2021 2.2050 2.8688 2.8720 3.1576 3.1590 3.2054 3.2067 3.7977 3.7980 4.7876 4.7888 4.7965 4.7979 5.3969 5.3970 5.4671 5.4674 6.5997 6.5999 7.5242 7.5246 7.9834 7.9836 9.9094 9.9102 10.5792 10.5801 12.0528 12.0535 13.2693 13.2693 k = 0.2886-1.1706-2.0678 ( 4042 PWs) bands (ev): -6.5387 -6.5364 -6.2131 -6.2109 -3.5651 -3.5650 -0.9786 -0.9778 -0.5247 -0.5239 0.3734 0.3734 1.3616 1.3618 1.9043 1.9073 2.2205 2.2234 2.8144 2.8175 3.1049 3.1070 3.2228 3.2232 3.7781 3.7784 4.7830 4.7833 4.8118 4.8123 5.3808 5.3808 5.4373 5.4376 6.5423 6.5426 7.5349 7.5353 7.9565 7.9568 9.9114 9.9123 10.5281 10.5290 12.0573 12.0579 13.2458 13.2459 k = 0.2938-1.1915-2.1048 ( 4038 PWs) bands (ev): -6.5270 -6.5247 -6.2014 -6.1992 -3.5267 -3.5267 -0.9292 -0.9282 -0.5286 -0.5277 0.3748 0.3748 1.2832 1.2833 1.9120 1.9151 2.2421 2.2451 2.7615 2.7644 3.0505 3.0527 3.2474 3.2478 3.7572 3.7576 4.7716 4.7718 4.8258 4.8262 5.3711 5.3713 5.4136 5.4139 6.4888 6.4890 7.5466 7.5470 7.9299 7.9302 9.9182 9.9192 10.4757 10.4767 12.0657 12.0663 13.2202 13.2203 k = 0.2989-1.2124-2.1417 ( 4036 PWs) bands (ev): -6.5170 -6.5146 -6.1913 -6.1891 -3.4931 -3.4931 -0.8830 -0.8818 -0.5351 -0.5340 0.3852 0.3853 1.2036 1.2036 1.9231 1.9263 2.2665 2.2696 2.7104 2.7133 2.9983 3.0005 3.2750 3.2755 3.7357 3.7361 4.7602 4.7604 4.8314 4.8317 5.3671 5.3678 5.3969 5.3977 6.4394 6.4396 7.5594 7.5597 7.9035 7.9039 9.9299 9.9310 10.4225 10.4236 12.0773 12.0780 13.1926 13.1927 k = 0.3041-1.2333-2.1786 ( 4038 PWs) bands (ev): -6.5085 -6.5061 -6.1827 -6.1805 -3.4645 -3.4644 -0.8401 -0.8387 -0.5440 -0.5426 0.4048 0.4049 1.1237 1.1238 1.9364 1.9397 2.2935 2.2967 2.6619 2.6646 2.9493 2.9514 3.3044 3.3049 3.7139 3.7145 4.7494 4.7497 4.8283 4.8285 5.3639 5.3651 5.3918 5.3930 6.3949 6.3951 7.5730 7.5734 7.8777 7.8781 9.9464 9.9477 10.3689 10.3702 12.0915 12.0922 13.1629 13.1631 k = 0.3092-1.2542-2.2155 ( 4044 PWs) bands (ev): -6.5015 -6.4991 -6.1757 -6.1735 -3.4408 -3.4408 -0.8010 -0.7993 -0.5548 -0.5532 0.4337 0.4337 1.0442 1.0443 1.9508 1.9541 2.3225 2.3256 2.6165 2.6191 2.9043 2.9063 3.3342 3.3348 3.6927 3.6934 4.7400 4.7402 4.8170 4.8171 5.3578 5.3589 5.4007 5.4017 6.3559 6.3561 7.5874 7.5877 7.8527 7.8531 9.9676 9.9691 10.3157 10.3172 12.1075 12.1082 13.1316 13.1318 k = 0.3144-1.2751-2.2525 ( 4046 PWs) bands (ev): -6.4960 -6.4935 -6.1702 -6.1679 -3.4221 -3.4220 -0.7662 -0.7640 -0.5673 -0.5653 0.4716 0.4717 0.9655 0.9656 1.9649 1.9682 2.3526 2.3557 2.5754 2.5777 2.8645 2.8663 3.3631 3.3639 3.6725 3.6734 4.7326 4.7329 4.7989 4.7990 5.3521 5.3530 5.4172 5.4181 6.3232 6.3234 7.6024 7.6027 7.8285 7.8289 9.9929 9.9949 10.2633 10.2653 12.1246 12.1253 13.0991 13.0993 k = 0.3195-1.2960-2.2894 ( 4048 PWs) bands (ev): -6.4919 -6.4894 -6.1661 -6.1638 -3.4082 -3.4081 -0.7364 -0.7336 -0.5806 -0.5779 0.5185 0.5186 0.8879 0.8879 1.9770 1.9803 2.3827 2.3858 2.5395 2.5415 2.8314 2.8330 3.3894 3.3904 3.6543 3.6554 4.7282 4.7285 4.7756 4.7757 5.3484 5.3491 5.4370 5.4377 6.2975 6.2977 7.6176 7.6180 7.8054 7.8059 10.0212 10.0240 10.2134 10.2162 12.1422 12.1429 13.0661 13.0662 k = 0.3247-1.3169-2.3263 ( 4046 PWs) bands (ev): -6.4892 -6.4867 -6.1634 -6.1610 -3.3989 -3.3989 -0.7131 -0.7095 -0.5931 -0.5896 0.5741 0.5742 0.8115 0.8115 1.9850 1.9882 2.4110 2.4140 2.5103 2.5121 2.8075 2.8087 3.4110 3.4122 3.6396 3.6409 4.7273 4.7276 4.7486 4.7486 5.3469 5.3476 5.4573 5.4579 6.2798 6.2800 7.6329 7.6334 7.7837 7.7843 10.0475 10.0519 10.1705 10.1749 12.1593 12.1600 13.0333 13.0334 k = 0.3298-1.3378-2.3632 ( 4046 PWs) bands (ev): -6.4878 -6.4853 -6.1619 -6.1596 -3.3941 -3.3941 -0.6993 -0.6949 -0.6015 -0.5971 0.6380 0.6381 0.7366 0.7367 1.9868 1.9900 2.4328 2.4359 2.4914 2.4930 2.7954 2.7965 3.4253 3.4266 3.6303 3.6318 4.7185 4.7186 4.7309 4.7313 5.3478 5.3484 5.4762 5.4768 6.2707 6.2709 7.6475 7.6482 7.7638 7.7646 10.0535 10.0589 10.1547 10.1600 12.1750 12.1758 13.0018 13.0020 k = 0.3350-1.3587-2.4002 ( 4050 PWs) bands (ev): -6.4875 -6.4851 -6.1617 -6.1594 -3.3934 -3.3934 -0.6980 -0.6934 -0.6018 -0.5974 0.6627 0.6631 0.7102 0.7105 1.9808 1.9839 2.4358 2.4386 2.4941 2.4957 2.7977 2.7990 3.4298 3.4312 3.6281 3.6297 4.6873 4.6873 4.7384 4.7387 5.3510 5.3516 5.4923 5.4928 6.2707 6.2709 7.6607 7.6617 7.7466 7.7477 10.0249 10.0284 10.1826 10.1860 12.1883 12.1890 12.9729 12.9730 k = 0.6650-1.2979-2.3648 ( 4050 PWs) bands (ev): -6.4875 -6.4851 -6.1617 -6.1594 -3.3934 -3.3934 -0.6980 -0.6934 -0.6018 -0.5974 0.6627 0.6631 0.7102 0.7105 1.9808 1.9839 2.4358 2.4386 2.4941 2.4957 2.7977 2.7990 3.4298 3.4312 3.6281 3.6297 4.6873 4.6873 4.7384 4.7387 5.3510 5.3516 5.4923 5.4928 6.2707 6.2709 7.6607 7.6617 7.7466 7.7477 10.0249 10.0284 10.1826 10.1860 12.1883 12.1890 12.9729 12.9730 k = 0.6599-1.2555-2.3648 ( 4050 PWs) bands (ev): -6.4885 -6.4860 -6.1626 -6.1603 -3.3964 -3.3964 -0.7083 -0.7045 -0.5946 -0.5908 0.5913 0.5914 0.7897 0.7897 1.9665 1.9695 2.4205 2.4230 2.5174 2.5195 2.8154 2.8171 3.4243 3.4256 3.6328 3.6343 4.6549 4.6549 4.7502 4.7506 5.3571 5.3576 5.5047 5.5052 6.2802 6.2804 7.6705 7.6720 7.7336 7.7352 9.9822 9.9845 10.2303 10.2325 12.1978 12.1986 12.9479 12.9481 k = 0.6547-1.2130-2.3648 ( 4048 PWs) bands (ev): -6.4905 -6.4880 -6.1646 -6.1623 -3.4029 -3.4029 -0.7261 -0.7230 -0.5844 -0.5814 0.5215 0.5215 0.8761 0.8762 1.9444 1.9473 2.3980 2.4005 2.5506 2.5531 2.8471 2.8492 3.4102 3.4114 3.6423 3.6437 4.6220 4.6221 4.7658 4.7662 5.3664 5.3669 5.5132 5.5137 6.2989 6.2991 7.6737 7.6755 7.7285 7.7304 9.9364 9.9380 10.2870 10.2885 12.2023 12.2031 12.9284 12.9286 k = 0.6495-1.1706-2.3648 ( 4050 PWs) bands (ev): -6.4934 -6.4910 -6.1676 -6.1653 -3.4124 -3.4124 -0.7480 -0.7455 -0.5744 -0.5720 0.4534 0.4535 0.9690 0.9690 1.9161 1.9189 2.3718 2.3743 2.5917 2.5945 2.8901 2.8925 3.3901 3.3912 3.6538 3.6551 4.5891 4.5892 4.7843 4.7847 5.3799 5.3804 5.5180 5.5184 6.3262 6.3264 7.6694 7.6711 7.7323 7.7340 9.8902 9.8914 10.3501 10.3513 12.2004 12.2011 12.9159 12.9161 k = 0.6444-1.1281-2.3648 ( 4042 PWs) bands (ev): -6.4973 -6.4948 -6.1715 -6.1692 -3.4246 -3.4246 -0.7723 -0.7702 -0.5661 -0.5641 0.3873 0.3874 1.0676 1.0677 1.8833 1.8860 2.3432 2.3456 2.6401 2.6431 2.9419 2.9445 3.3661 3.3670 3.6651 3.6664 4.5564 4.5565 4.8046 4.8050 5.3985 5.3990 5.5194 5.5198 6.3613 6.3615 7.6613 7.6627 7.7410 7.7424 9.8444 9.8454 10.4189 10.4198 12.1909 12.1917 12.9115 12.9117 k = 0.6392-1.0857-2.3648 ( 4042 PWs) bands (ev): -6.5019 -6.4995 -6.1762 -6.1739 -3.4391 -3.4390 -0.7982 -0.7964 -0.5598 -0.5581 0.3232 0.3233 1.1713 1.1713 1.8475 1.8501 2.3132 2.3155 2.6950 2.6982 3.0002 3.0030 3.3397 3.3405 3.6749 3.6761 4.5242 4.5243 4.8251 4.8255 5.4234 5.4240 5.5181 5.5185 6.4030 6.4033 7.6528 7.6541 7.7509 7.7522 9.7993 9.8001 10.4929 10.4937 12.1735 12.1742 12.9158 12.9160 k = 0.6341-1.0432-2.3648 ( 4044 PWs) bands (ev): -6.5073 -6.5049 -6.1816 -6.1794 -3.4554 -3.4554 -0.8250 -0.8235 -0.5557 -0.5542 0.2612 0.2612 1.2790 1.2791 1.8102 1.8126 2.2828 2.2850 2.7556 2.7588 3.0633 3.0663 3.3122 3.3130 3.6824 3.6835 4.4927 4.4928 4.8445 4.8449 5.4555 5.4562 5.5150 5.5155 6.4503 6.4505 7.6456 7.6468 7.7605 7.7616 9.7551 9.7557 10.5717 10.5724 12.1479 12.1486 12.9286 12.9289 k = 0.6289-1.0007-2.3648 ( 4048 PWs) bands (ev): -6.5133 -6.5110 -6.1876 -6.1854 -3.4734 -3.4734 -0.8524 -0.8511 -0.5537 -0.5524 0.2012 0.2013 1.3894 1.3896 1.7726 1.7750 2.2529 2.2550 2.8210 2.8243 3.1292 3.1323 3.2854 3.2861 3.6871 3.6882 4.4619 4.4620 4.8615 4.8619 5.4926 5.4938 5.5131 5.5141 6.5018 6.5021 7.6408 7.6419 7.7691 7.7702 9.7116 9.7122 10.6551 10.6557 12.1149 12.1155 12.9488 12.9492 k = 0.6238-0.9583-2.3648 ( 4040 PWs) bands (ev): -6.5198 -6.5176 -6.1942 -6.1920 -3.4926 -3.4926 -0.8802 -0.8790 -0.5537 -0.5525 0.1434 0.1434 1.4997 1.5000 1.7371 1.7395 2.2245 2.2265 2.8903 2.8936 3.1911 3.1939 3.2660 3.2671 3.6892 3.6903 4.4320 4.4321 4.8752 4.8756 5.5003 5.5007 5.5496 5.5500 6.5564 6.5566 7.6389 7.6400 7.7765 7.7775 9.6688 9.6693 10.7427 10.7432 12.0751 12.0757 12.9741 12.9746 k = 0.6186-0.9158-2.3648 ( 4048 PWs) bands (ev): -6.5268 -6.5246 -6.2012 -6.1991 -3.5128 -3.5128 -0.9080 -0.9069 -0.5555 -0.5544 0.0877 0.0878 1.5977 1.5984 1.7143 1.7167 2.1992 2.2011 2.9624 2.9658 3.2085 3.2098 3.2947 3.2973 3.6887 3.6899 4.4031 4.4033 4.8851 4.8856 5.4938 5.4940 5.6075 5.6078 6.6126 6.6129 7.6406 7.6418 7.7823 7.7833 9.6266 9.6271 10.8340 10.8345 12.0296 12.0301 12.9977 12.9983 k = 0.6135-0.8734-2.3648 ( 4046 PWs) bands (ev): -6.5342 -6.5320 -6.2086 -6.2066 -3.5337 -3.5337 -0.9357 -0.9347 -0.5589 -0.5579 0.0342 0.0343 1.6254 1.6265 1.7599 1.7612 2.1801 2.1818 3.0354 3.0389 3.1904 3.1915 3.3635 3.3666 3.6861 3.6875 4.3754 4.3756 4.8914 4.8919 5.4859 5.4860 5.6744 5.6748 6.6692 6.6694 7.6468 7.6480 7.7865 7.7876 9.5848 9.5852 10.9287 10.9291 11.9793 11.9798 12.9848 12.9853 k = 0.6083-0.8309-2.3648 ( 4044 PWs) bands (ev): -6.5418 -6.5397 -6.2162 -6.2143 -3.5550 -3.5550 -0.9631 -0.9622 -0.5637 -0.5628 -0.0170 -0.0170 1.5988 1.6002 1.8498 1.8505 2.1740 2.1756 3.1000 3.1035 3.1793 3.1806 3.4383 3.4417 3.6820 3.6837 4.3490 4.3492 4.8944 4.8949 5.4772 5.4773 5.7491 5.7495 6.7244 6.7247 7.6583 7.6597 7.7891 7.7902 9.5433 9.5436 11.0261 11.0265 11.9249 11.9253 12.8691 12.8694 k = 0.6031-0.7884-2.3648 ( 4040 PWs) bands (ev): -6.5497 -6.5476 -6.2241 -6.2222 -3.5765 -3.5765 -0.9900 -0.9892 -0.5697 -0.5689 -0.0660 -0.0660 1.5649 1.5662 1.9213 1.9218 2.1963 2.1974 3.1171 3.1186 3.2196 3.2212 3.5130 3.5169 3.6782 3.6805 4.3241 4.3243 4.8945 4.8951 5.4679 5.4681 5.8304 5.8308 6.7770 6.7773 7.6759 7.6775 7.7902 7.7914 9.5017 9.5020 11.1258 11.1261 11.8670 11.8673 12.7073 12.7075 k = 0.5980-0.7460-2.3648 ( 4040 PWs) bands (ev): -6.5576 -6.5557 -6.2321 -6.2303 -3.5980 -3.5980 -1.0164 -1.0157 -0.5766 -0.5759 -0.1127 -0.1127 1.5302 1.5315 1.9533 1.9540 2.2602 2.2608 3.1037 3.1044 3.2940 3.2961 3.5799 3.5845 3.6811 3.6844 4.3010 4.3013 4.8923 4.8930 5.4582 5.4583 5.9174 5.9177 6.8253 6.8256 7.7004 7.7022 7.7897 7.7913 9.4599 9.4602 11.2269 11.2272 11.8058 11.8062 12.5351 12.5352 k = 0.5928-0.7035-2.3648 ( 4046 PWs) bands (ev): -6.5656 -6.5637 -6.2402 -6.2384 -3.6193 -3.6193 -1.0421 -1.0414 -0.5844 -0.5838 -0.1571 -0.1571 1.4962 1.4974 1.9546 1.9554 2.3537 2.3539 3.0897 3.0903 3.3745 3.3766 3.6166 3.6204 3.7145 3.7171 4.2802 4.2806 4.8885 4.8891 5.4480 5.4482 6.0089 6.0092 6.8681 6.8684 7.7315 7.7342 7.7882 7.7906 9.4176 9.4178 11.3288 11.3290 11.7417 11.7420 12.3607 12.3607 k = 0.5877-0.6611-2.3648 ( 4050 PWs) bands (ev): -6.5736 -6.5718 -6.2482 -6.2465 -3.6402 -3.6402 -1.0669 -1.0663 -0.5928 -0.5922 -0.1992 -0.1992 1.4632 1.4645 1.9421 1.9430 2.4564 2.4565 3.0822 3.0828 3.4563 3.4583 3.6202 3.6222 3.7799 3.7811 4.2623 4.2628 4.8834 4.8841 5.4375 5.4377 6.1039 6.1043 6.9046 6.9049 7.7638 7.7690 7.7903 7.7952 9.3745 9.3747 11.4303 11.4305 11.6743 11.6746 12.1884 12.1885 k = 0.5825-0.6186-2.3648 ( 4050 PWs) bands (ev): -6.5815 -6.5798 -6.2561 -6.2545 -3.6606 -3.6606 -1.0908 -1.0902 -0.6015 -0.6010 -0.2390 -0.2390 1.4317 1.4328 1.9242 1.9252 2.5546 2.5547 3.0869 3.0874 3.5380 3.5397 3.6131 3.6142 3.8521 3.8528 4.2485 4.2492 4.8776 4.8784 5.4267 5.4268 6.2017 6.2020 6.9344 6.9347 7.7725 7.7748 7.8277 7.8296 9.3304 9.3306 11.5279 11.5284 11.6049 11.6055 12.0221 12.0222 k = 0.5774-0.5762-2.3648 ( 4042 PWs) bands (ev): -6.5892 -6.5876 -6.2639 -6.2624 -3.6804 -3.6804 -1.1136 -1.1131 -0.6106 -0.6101 -0.2764 -0.2764 1.4017 1.4028 1.9045 1.9054 2.6371 2.6372 3.1112 3.1117 3.6012 3.6030 3.6187 3.6212 3.9224 3.9230 4.2406 4.2416 4.8715 4.8724 5.4156 5.4157 6.3011 6.3015 6.9576 6.9578 7.7681 7.7691 7.8820 7.8827 9.2850 9.2851 11.5172 11.5176 11.6352 11.6358 11.8666 11.8668 k = 0.5722-0.5337-2.3648 ( 4038 PWs) bands (ev): -6.5968 -6.5952 -6.2715 -6.2700 -3.6993 -3.6993 -1.1354 -1.1349 -0.6197 -0.6192 -0.3115 -0.3115 1.3733 1.3743 1.8843 1.8852 2.6953 2.6954 3.1618 3.1623 3.5906 3.5915 3.6956 3.6972 3.9863 3.9874 4.2419 4.2434 4.8656 4.8666 5.4042 5.4043 6.4014 6.4018 6.9746 6.9749 7.7608 7.7613 7.9429 7.9431 9.2380 9.2382 11.4285 11.4286 11.7189 11.7231 11.7350 11.7389 k = 0.5670-0.4912-2.3648 ( 4040 PWs) bands (ev): -6.6040 -6.6026 -6.2787 -6.2774 -3.7174 -3.7173 -1.1559 -1.1555 -0.6287 -0.6283 -0.3442 -0.3442 1.3466 1.3475 1.8645 1.8654 2.7278 2.7278 3.2385 3.2390 3.5788 3.5794 3.7677 3.7690 4.0400 4.0418 4.2566 4.2587 4.8602 4.8613 5.3926 5.3927 6.5018 6.5021 6.9864 6.9866 7.7517 7.7520 8.0083 8.0083 9.1893 9.1894 11.3238 11.3240 11.6099 11.6105 11.8226 11.8229 k = 0.5619-0.4488-2.3648 ( 4040 PWs) bands (ev): -6.6109 -6.6096 -6.2857 -6.2845 -3.7344 -3.7344 -1.1752 -1.1748 -0.6376 -0.6372 -0.3745 -0.3745 1.3217 1.3226 1.8456 1.8463 2.7410 2.7410 3.3336 3.3342 3.5670 3.5676 3.8314 3.8325 4.0829 4.0855 4.2874 4.2902 4.8557 4.8571 5.3809 5.3810 6.6013 6.6016 6.9938 6.9940 7.7410 7.7413 8.0763 8.0764 9.1388 9.1389 11.2065 11.2066 11.5151 11.5156 11.9098 11.9099 k = 0.5567-0.4063-2.3648 ( 4044 PWs) bands (ev): -6.6175 -6.6163 -6.2923 -6.2911 -3.7504 -3.7504 -1.1932 -1.1928 -0.6462 -0.6459 -0.4024 -0.4024 1.2987 1.2995 1.8276 1.8283 2.7427 2.7427 3.4377 3.4384 3.5562 3.5570 3.8823 3.8834 4.1213 4.1245 4.3312 4.3344 4.8528 4.8543 5.3690 5.3691 6.6991 6.6994 6.9976 6.9977 7.7290 7.7292 8.1457 8.1458 9.0865 9.0867 11.0836 11.0838 11.4368 11.4373 11.9908 11.9910 k = 0.5516-0.3639-2.3648 ( 4040 PWs) bands (ev): -6.6236 -6.6225 -6.2984 -6.2974 -3.7652 -3.7652 -1.2097 -1.2094 -0.6544 -0.6541 -0.4280 -0.4280 1.2775 1.2782 1.8110 1.8116 2.7382 2.7382 3.5292 3.5308 3.5609 3.5624 3.9172 3.9183 4.1639 4.1673 4.3810 4.3846 4.8520 4.8537 5.3570 5.3571 6.7945 6.7948 6.9987 6.9988 7.7156 7.7157 8.2147 8.2149 9.0328 9.0329 10.9623 10.9624 11.3699 11.3703 12.0647 12.0648 k = 0.5464-0.3214-2.3648 ( 4038 PWs) bands (ev): -6.6293 -6.6283 -6.3041 -6.3032 -3.7788 -3.7788 -1.2249 -1.2246 -0.6620 -0.6618 -0.4511 -0.4511 1.2583 1.2589 1.7957 1.7962 2.7307 2.7307 3.5305 3.5307 3.6572 3.6575 3.9369 3.9381 4.2140 4.2175 4.4309 4.4349 4.8539 4.8559 5.3449 5.3450 6.8866 6.8868 6.9976 6.9978 7.7007 7.7008 8.2821 8.2822 8.9780 8.9781 10.8473 10.8474 11.3111 11.3114 12.1303 12.1303 k = 0.5413-0.2789-2.3648 ( 4028 PWs) bands (ev): -6.6344 -6.6335 -6.3093 -6.3085 -3.7911 -3.7911 -1.2385 -1.2383 -0.6691 -0.6689 -0.4718 -0.4718 1.2410 1.2416 1.7818 1.7823 2.7219 2.7219 3.5217 3.5218 3.7584 3.7590 3.9461 3.9473 4.2694 4.2728 4.4770 4.4813 4.8592 4.8614 5.3330 5.3331 6.9735 6.9745 6.9952 6.9965 7.6843 7.6844 8.3464 8.3465 8.9230 8.9231 10.7414 10.7415 11.2588 11.2591 12.1862 12.1863 k = 0.5361-0.2365-2.3648 ( 4026 PWs) bands (ev): -6.6390 -6.6382 -6.3139 -6.3132 -3.8021 -3.8021 -1.2507 -1.2504 -0.6755 -0.6753 -0.4900 -0.4900 1.2257 1.2262 1.7694 1.7699 2.7129 2.7129 3.5132 3.5132 3.8525 3.8538 3.9493 3.9511 4.3263 4.3296 4.5167 4.5214 4.8685 4.8709 5.3211 5.3212 6.9910 6.9915 7.0579 7.0587 7.6663 7.6665 8.4064 8.4066 8.8689 8.8690 10.6465 10.6466 11.2124 11.2127 12.2293 12.2293 k = 0.5309-0.1940-2.3648 ( 4020 PWs) bands (ev): -6.6431 -6.6424 -6.3180 -6.3174 -3.8117 -3.8117 -1.2612 -1.2610 -0.6812 -0.6811 -0.5059 -0.5059 1.2124 1.2128 1.7586 1.7590 2.7044 2.7044 3.5054 3.5055 3.9287 3.9331 3.9559 3.9605 4.3816 4.3851 4.5486 4.5537 4.8817 4.8841 5.3096 5.3098 6.9873 6.9875 7.1356 7.1361 7.6467 7.6468 8.4611 8.4612 8.8170 8.8171 10.5634 10.5635 11.1719 11.1721 12.2460 12.2461 k = 0.5258-0.1516-2.3648 ( 4016 PWs) bands (ev): -6.6466 -6.6460 -6.3215 -6.3210 -3.8198 -3.8198 -1.2702 -1.2701 -0.6861 -0.6860 -0.5193 -0.5193 1.2011 1.2015 1.7494 1.7498 2.6967 2.6967 3.4988 3.4988 3.9423 3.9435 4.0192 4.0206 4.4331 4.4368 4.5726 4.5780 4.8981 4.9004 5.2988 5.2989 6.9832 6.9834 7.2072 7.2076 7.6253 7.6254 8.5093 8.5094 8.7690 8.7691 10.4929 10.4929 11.1371 11.1373 12.2238 12.2239 k = 0.5206-0.1091-2.3648 ( 4016 PWs) bands (ev): -6.6494 -6.6490 -6.3244 -6.3240 -3.8266 -3.8266 -1.2776 -1.2775 -0.6902 -0.6901 -0.5303 -0.5303 1.1919 1.1921 1.7419 1.7421 2.6902 2.6902 3.4932 3.4933 3.9411 3.9416 4.0822 4.0828 4.4789 4.4828 4.5893 4.5947 4.9160 4.9180 5.2888 5.2889 6.9794 6.9795 7.2722 7.2726 7.6020 7.6022 8.5501 8.5502 8.7265 8.7266 10.4351 10.4352 11.1083 11.1085 12.1911 12.1911 k = 0.5155-0.0666-2.3648 ( 4020 PWs) bands (ev): -6.6517 -6.6513 -6.3266 -6.3263 -3.8318 -3.8318 -1.2834 -1.2833 -0.6934 -0.6933 -0.5388 -0.5388 1.1847 1.1849 1.7360 1.7362 2.6849 2.6849 3.4888 3.4889 3.9390 3.9393 4.1326 4.1329 4.5175 4.5216 4.5997 4.6051 4.9331 4.9347 5.2802 5.2803 6.9761 6.9762 7.3302 7.3306 7.5767 7.5770 8.5827 8.5828 8.6914 8.6915 10.3902 10.3902 11.0857 11.0859 12.1623 12.1623 k = 0.5103-0.0242-2.3648 ( 4020 PWs) bands (ev): -6.6532 -6.6530 -6.3282 -6.3280 -3.8356 -3.8356 -1.2875 -1.2875 -0.6957 -0.6957 -0.5449 -0.5449 1.1795 1.1797 1.7318 1.7319 2.6811 2.6811 3.4857 3.4857 3.9372 3.9373 4.1692 4.1694 4.5473 4.5514 4.6054 4.6104 4.9474 4.9485 5.2735 5.2736 6.9736 6.9737 7.3809 7.3812 7.5497 7.5500 8.6065 8.6066 8.6650 8.6651 10.3582 10.3582 11.0695 11.0696 12.1408 12.1408 k = 0.5052 0.0183-2.3648 ( 4022 PWs) bands (ev): -6.6542 -6.6541 -6.3292 -6.3290 -3.8379 -3.8379 -1.2900 -1.2900 -0.6971 -0.6971 -0.5486 -0.5486 1.1764 1.1765 1.7293 1.7293 2.6788 2.6788 3.4838 3.4838 3.9360 3.9361 4.1914 4.1915 4.5673 4.5703 4.6081 4.6115 4.9569 4.9574 5.2692 5.2693 6.9720 6.9721 7.4223 7.4226 7.5226 7.5228 8.6209 8.6210 8.6487 8.6488 10.3390 10.3390 11.0597 11.0597 12.1276 12.1276 k = 0.5000 0.0607-2.3648 ( 4028 PWs) bands (ev): -6.6544 -6.6544 -6.3294 -6.3294 -3.8386 -3.8386 -1.2908 -1.2908 -0.6976 -0.6976 -0.5498 -0.5498 1.1754 1.1754 1.7285 1.7285 2.6780 2.6780 3.4831 3.4831 3.9356 3.9356 4.1988 4.1988 4.5757 4.5757 4.6100 4.6100 4.9603 4.9603 5.2678 5.2678 6.9715 6.9715 7.4431 7.4431 7.5068 7.5068 8.6258 8.6258 8.6433 8.6433 10.3326 10.3326 11.0564 11.0564 12.1232 12.1232 k = 0.5000 0.0607-2.3648 ( 4028 PWs) bands (ev): -6.6544 -6.6544 -6.3294 -6.3294 -3.8386 -3.8386 -1.2908 -1.2908 -0.6976 -0.6976 -0.5498 -0.5498 1.1754 1.1754 1.7285 1.7285 2.6780 2.6780 3.4831 3.4831 3.9356 3.9356 4.1988 4.1988 4.5757 4.5757 4.6100 4.6100 4.9603 4.9603 5.2678 5.2678 6.9715 6.9715 7.4431 7.4431 7.5068 7.5068 8.6258 8.6258 8.6433 8.6433 10.3326 10.3326 11.0564 11.0564 12.1232 12.1232 k = 0.5413 0.0657-2.3559 ( 4027 PWs) bands (ev): -6.6545 -6.6545 -6.3295 -6.3295 -3.8387 -3.8387 -1.2907 -1.2907 -0.6991 -0.6991 -0.5484 -0.5484 1.1767 1.1767 1.7265 1.7265 2.6797 2.6798 3.4792 3.4793 3.9372 3.9372 4.1989 4.1989 4.5802 4.5802 4.6099 4.6099 4.9604 4.9604 5.2652 5.2653 6.9664 6.9664 7.4475 7.4475 7.5067 7.5067 8.6259 8.6259 8.6438 8.6438 10.3352 10.3352 11.0536 11.0536 12.1180 12.1180 k = 0.5825 0.0707-2.3471 ( 4031 PWs) bands (ev): -6.6545 -6.6545 -6.3295 -6.3295 -3.8390 -3.8390 -1.2903 -1.2903 -0.7035 -0.7035 -0.5444 -0.5444 1.1806 1.1806 1.7208 1.7209 2.6848 2.6849 3.4676 3.4677 3.9422 3.9422 4.1990 4.1990 4.5928 4.5928 4.6098 4.6098 4.9606 4.9607 5.2580 5.2581 6.9515 6.9515 7.4602 7.4602 7.5065 7.5065 8.6262 8.6262 8.6453 8.6453 10.3427 10.3427 11.0458 11.0458 12.1026 12.1027 k = 0.6238 0.0758-2.3382 ( 4024 PWs) bands (ev): -6.6547 -6.6546 -6.3297 -6.3296 -3.8394 -3.8394 -1.2897 -1.2897 -0.7101 -0.7100 -0.5384 -0.5384 1.1869 1.1869 1.7116 1.7116 2.6933 2.6934 3.4487 3.4488 3.9518 3.9518 4.1992 4.1992 4.6079 4.6080 4.6129 4.6130 4.9611 4.9611 5.2471 5.2472 6.9282 6.9282 7.4801 7.4801 7.5063 7.5063 8.6267 8.6267 8.6472 8.6472 10.3548 10.3548 11.0340 11.0340 12.0779 12.0780 k = 0.6650 0.0808-2.3293 ( 4025 PWs) bands (ev): -6.6548 -6.6548 -6.3298 -6.3298 -3.8399 -3.8399 -1.2889 -1.2889 -0.7180 -0.7180 -0.5312 -0.5312 1.1955 1.1956 1.6991 1.6991 2.7048 2.7049 3.4233 3.4234 3.9667 3.9668 4.1994 4.1994 4.6086 4.6086 4.6328 4.6330 4.9616 4.9616 5.2342 5.2344 6.8986 6.8986 7.5054 7.5055 7.5060 7.5060 8.6273 8.6273 8.6491 8.6491 10.3706 10.3707 11.0198 11.0198 12.0451 12.0451 k = 0.6650 0.0808-2.3293 ( 4025 PWs) bands (ev): -6.6548 -6.6548 -6.3298 -6.3298 -3.8399 -3.8399 -1.2889 -1.2889 -0.7180 -0.7180 -0.5312 -0.5312 1.1955 1.1956 1.6991 1.6991 2.7048 2.7049 3.4233 3.4234 3.9667 3.9668 4.1994 4.1994 4.6086 4.6086 4.6328 4.6330 4.9616 4.9616 5.2342 5.2344 6.8986 6.8986 7.5054 7.5055 7.5060 7.5060 8.6273 8.6273 8.6491 8.6491 10.3706 10.3707 11.0198 11.0198 12.0451 12.0451 k = 0.6621 0.0804-2.2871 ( 4028 PWs) bands (ev): -6.6575 -6.6574 -6.3325 -6.3324 -3.8486 -3.8486 -1.2978 -1.2978 -0.7172 -0.7172 -0.5186 -0.5186 1.1954 1.1954 1.7080 1.7081 2.7175 2.7177 3.3991 3.3993 3.9717 3.9717 4.2011 4.2011 4.6099 4.6099 4.6391 4.6393 4.9629 4.9629 5.2475 5.2477 6.8907 6.8907 7.5058 7.5059 7.5075 7.5075 8.6286 8.6286 8.6594 8.6595 10.3769 10.3770 11.0170 11.0171 12.0459 12.0459 k = 0.6591 0.0801-2.2449 ( 4032 PWs) bands (ev): -6.6625 -6.6624 -6.3376 -6.3375 -3.8652 -3.8652 -1.3150 -1.3150 -0.7152 -0.7152 -0.4948 -0.4948 1.1990 1.1990 1.7207 1.7207 2.7329 2.7332 3.3718 3.3721 3.9792 3.9792 4.2045 4.2045 4.6125 4.6125 4.6510 4.6512 4.9653 4.9653 5.2593 5.2595 6.8819 6.8820 7.5105 7.5106 7.5117 7.5117 8.6310 8.6310 8.6752 8.6753 10.3868 10.3869 11.0138 11.0139 12.0498 12.0499 k = 0.6562 0.0797-2.2027 ( 4039 PWs) bands (ev): -6.6700 -6.6699 -6.3451 -6.3450 -3.8895 -3.8895 -1.3400 -1.3399 -0.7127 -0.7127 -0.4600 -0.4600 1.2063 1.2064 1.7370 1.7371 2.7509 2.7513 3.3406 3.3410 3.9915 3.9915 4.2094 4.2094 4.6162 4.6162 4.6673 4.6676 4.9689 4.9689 5.2693 5.2695 6.8727 6.8728 7.5151 7.5151 7.5230 7.5230 8.6346 8.6346 8.6962 8.6963 10.4003 10.4003 11.0100 11.0101 12.0570 12.0571 k = 0.6532 0.0793-2.1604 ( 4043 PWs) bands (ev): -6.6799 -6.6798 -6.3550 -6.3549 -3.9208 -3.9208 -1.3719 -1.3719 -0.7107 -0.7106 -0.4144 -0.4144 1.2175 1.2175 1.7569 1.7570 2.7712 2.7718 3.3051 3.3056 4.0104 4.0105 4.2160 4.2160 4.6212 4.6212 4.6867 4.6870 4.9737 4.9737 5.2770 5.2772 6.8637 6.8638 7.5212 7.5212 7.5397 7.5398 8.6393 8.6393 8.7222 8.7223 10.4173 10.4173 11.0058 11.0059 12.0674 12.0674 k = 0.6503 0.0790-2.1182 ( 4043 PWs) bands (ev): -6.6921 -6.6919 -6.3673 -6.3671 -3.9586 -3.9586 -1.4100 -1.4099 -0.7099 -0.7099 -0.3584 -0.3584 1.2324 1.2325 1.7802 1.7803 2.7934 2.7942 3.2658 3.2664 4.0371 4.0371 4.2241 4.2241 4.6274 4.6274 4.7081 4.7084 4.9797 4.9797 5.2822 5.2824 6.8554 6.8556 7.5287 7.5287 7.5617 7.5618 8.6452 8.6452 8.7529 8.7529 10.4379 10.4379 11.0011 11.0012 12.0809 12.0809 k = 0.6473 0.0786-2.0760 ( 4041 PWs) bands (ev): -6.7065 -6.7063 -6.3817 -6.3815 -4.0022 -4.0022 -1.4534 -1.4534 -0.7111 -0.7110 -0.2926 -0.2926 1.2511 1.2512 1.8070 1.8071 2.8166 2.8176 3.2239 3.2248 4.0717 4.0717 4.2338 4.2339 4.6348 4.6348 4.7304 4.7307 4.9869 4.9869 5.2848 5.2851 6.8485 6.8487 7.5377 7.5377 7.5885 7.5886 8.6522 8.6522 8.7880 8.7881 10.4619 10.4619 10.9960 10.9961 12.0975 12.0976 k = 0.6444 0.0783-2.0338 ( 4037 PWs) bands (ev): -6.7231 -6.7229 -6.3984 -6.3981 -4.0508 -4.0508 -1.5015 -1.5014 -0.7148 -0.7147 -0.2177 -0.2177 1.2734 1.2735 1.8370 1.8371 2.8387 2.8400 3.1822 3.1834 4.1138 4.1139 4.2451 4.2451 4.6433 4.6433 4.7532 4.7535 4.9952 4.9952 5.2849 5.2851 6.8436 6.8437 7.5481 7.5481 7.6198 7.6199 8.6603 8.6603 8.8274 8.8274 10.4894 10.4895 10.9904 10.9906 12.1172 12.1172 k = 0.6414 0.0779-1.9915 ( 4035 PWs) bands (ev): -6.7418 -6.7415 -6.4171 -6.4168 -4.1038 -4.1038 -1.5534 -1.5533 -0.7212 -0.7212 -0.1344 -0.1344 1.2991 1.2992 1.8703 1.8705 2.8559 2.8575 3.1454 3.1470 4.1628 4.1628 4.2579 4.2579 4.6531 4.6531 4.7759 4.7762 5.0046 5.0046 5.2825 5.2827 6.8410 6.8411 7.5600 7.5600 7.6551 7.6552 8.6695 8.6695 8.8707 8.8707 10.5204 10.5205 10.9845 10.9847 12.1398 12.1399 k = 0.6385 0.0775-1.9493 ( 4038 PWs) bands (ev): -6.7624 -6.7621 -6.4378 -6.4375 -4.1604 -4.1604 -1.6085 -1.6085 -0.7308 -0.7307 -0.0435 -0.0434 1.3280 1.3281 1.9070 1.9071 2.8614 2.8634 3.1210 3.1229 4.2175 4.2175 4.2722 4.2723 4.6640 4.6641 4.7985 4.7988 5.0151 5.0151 5.2780 5.2783 6.8412 6.8414 7.5733 7.5733 7.6939 7.6940 8.6797 8.6797 8.9177 8.9177 10.5549 10.5549 10.9784 10.9786 12.1653 12.1653 k = 0.6356 0.0772-1.9071 ( 4038 PWs) bands (ev): -6.7849 -6.7846 -6.4603 -6.4600 -4.2201 -4.2201 -1.6664 -1.6663 -0.7434 -0.7433 0.0544 0.0544 1.3597 1.3598 1.9468 1.9470 2.8489 2.8509 3.1163 3.1183 4.2765 4.2767 4.2882 4.2884 4.6761 4.6761 4.8210 4.8213 5.0268 5.0268 5.2720 5.2722 6.8445 6.8446 7.5880 7.5880 7.7357 7.7358 8.6910 8.6910 8.9682 8.9683 10.5926 10.5927 10.9723 10.9725 12.1936 12.1936 k = 0.6326 0.0768-1.8648 ( 4047 PWs) bands (ev): -6.8092 -6.8088 -6.4846 -6.4842 -4.2822 -4.2822 -1.7264 -1.7264 -0.7593 -0.7592 0.1585 0.1585 1.3937 1.3938 1.9899 1.9900 2.8184 2.8203 3.1316 3.1334 4.3050 4.3051 4.3397 4.3398 4.6894 4.6894 4.8434 4.8437 5.0395 5.0395 5.2653 5.2655 6.8509 6.8511 7.6041 7.6041 7.7800 7.7801 8.7034 8.7034 9.0221 9.0221 10.6335 10.6336 10.9663 10.9665 12.2244 12.2245 k = 0.6297 0.0765-1.8226 ( 4045 PWs) bands (ev): -6.8350 -6.8346 -6.5105 -6.5101 -4.3463 -4.3463 -1.7882 -1.7882 -0.7783 -0.7782 0.2682 0.2682 1.4295 1.4296 2.0362 2.0363 2.7768 2.7783 3.1605 3.1621 4.3237 4.3237 4.4044 4.4045 4.7038 4.7038 4.8660 4.8663 5.0533 5.0533 5.2590 5.2592 6.8607 6.8609 7.6216 7.6216 7.8263 7.8264 8.7167 8.7167 9.0791 9.0792 10.6773 10.6774 10.9609 10.9611 12.2577 12.2578 k = 0.6267 0.0761-1.7804 ( 4046 PWs) bands (ev): -6.8624 -6.8620 -6.5378 -6.5374 -4.4118 -4.4118 -1.8514 -1.8513 -0.8003 -0.8002 0.3829 0.3830 1.4663 1.4664 2.0855 2.0855 2.7304 2.7316 3.1968 3.1981 4.3436 4.3437 4.4695 4.4696 4.7193 4.7193 4.8891 4.8894 5.0682 5.0682 5.2548 5.2550 6.8738 6.8739 7.6404 7.6404 7.8738 7.8740 8.7310 8.7310 9.1391 9.1392 10.7232 10.7233 10.9569 10.9571 12.2934 12.2935 k = 0.6238 0.0758-1.7382 ( 4054 PWs) bands (ev): -6.8911 -6.8906 -6.5665 -6.5661 -4.4783 -4.4783 -1.9155 -1.9155 -0.8252 -0.8251 0.5022 0.5022 1.5031 1.5032 2.1375 2.1376 2.6839 2.6849 3.2365 3.2376 4.3649 4.3649 4.5329 4.5330 4.7359 4.7359 4.9131 4.9134 5.0841 5.0841 5.2546 5.2548 6.8901 6.8903 7.6605 7.6605 7.9222 7.9223 8.7462 8.7462 9.2019 9.2020 10.7696 10.7698 10.9562 10.9563 12.3311 12.3313 k = 0.6208 0.0754-1.6959 ( 4059 PWs) bands (ev): -6.9210 -6.9206 -6.5964 -6.5960 -4.5455 -4.5455 -1.9804 -1.9804 -0.8527 -0.8526 0.6255 0.6256 1.5387 1.5387 2.1917 2.1919 2.6408 2.6415 3.2772 3.2782 4.3874 4.3874 4.5919 4.5920 4.7536 4.7536 4.9390 4.9392 5.1010 5.1010 5.2607 5.2609 6.9097 6.9099 7.6819 7.6819 7.9708 7.9709 8.7622 8.7622 9.2675 9.2676 10.8126 10.8129 10.9626 10.9626 12.3708 12.3709 k = 0.6179 0.0750-1.6537 ( 4053 PWs) bands (ev): -6.9520 -6.9516 -6.6274 -6.6270 -4.6131 -4.6130 -2.0457 -2.0456 -0.8827 -0.8826 0.7524 0.7524 1.5714 1.5715 2.2472 2.2477 2.6044 2.6048 3.3172 3.3181 4.4110 4.4111 4.6430 4.6431 4.7723 4.7724 4.9687 4.9688 5.1189 5.1189 5.2753 5.2755 6.9325 6.9326 7.7045 7.7045 8.0191 8.0192 8.7792 8.7792 9.3357 9.3358 10.8448 10.8454 10.9835 10.9836 12.4121 12.4123 k = 0.6149 0.0747-1.6115 ( 4056 PWs) bands (ev): -6.9840 -6.9836 -6.6593 -6.6589 -4.6806 -4.6806 -2.1112 -2.1111 -0.9148 -0.9147 0.8823 0.8823 1.5995 1.5995 2.3025 2.3033 2.5787 2.5787 3.3553 3.3562 4.4358 4.4358 4.6822 4.6823 4.7921 4.7922 5.0048 5.0049 5.1377 5.1377 5.3000 5.3001 6.9584 6.9586 7.7283 7.7283 8.0665 8.0666 8.7969 8.7969 9.4063 9.4064 10.8611 10.8618 11.0243 11.0245 12.4548 12.4551 k = 0.6120 0.0743-1.5692 ( 4067 PWs) bands (ev): -7.0169 -7.0164 -6.6921 -6.6916 -4.7480 -4.7479 -2.1766 -2.1765 -0.9488 -0.9487 1.0147 1.0147 1.6210 1.6210 2.3543 2.3555 2.5685 2.5690 3.3907 3.3915 4.4616 4.4617 4.7070 4.7072 4.8129 4.8130 5.0499 5.0500 5.1574 5.1575 5.3354 5.3355 6.9876 6.9878 7.7534 7.7534 8.1125 8.1125 8.8154 8.8154 9.4792 9.4793 10.8657 10.8664 11.0810 11.0812 12.4987 12.4990 k = 0.6090 0.0740-1.5270 ( 4069 PWs) bands (ev): -7.0504 -7.0499 -6.7255 -6.7250 -4.8149 -4.8149 -2.2417 -2.2417 -0.9845 -0.9844 1.1489 1.1489 1.6342 1.6342 2.3985 2.4002 2.5803 2.5813 3.4229 3.4236 4.4884 4.4884 4.7178 4.7179 4.8348 4.8348 5.1043 5.1043 5.1781 5.1781 5.3811 5.3811 7.0201 7.0202 7.7795 7.7795 8.1566 8.1567 8.8345 8.8345 9.5543 9.5544 10.8647 10.8655 11.1473 11.1476 12.5433 12.5436 k = 0.6061 0.0736-1.4848 ( 4073 PWs) bands (ev): -7.0845 -7.0840 -6.7594 -6.7589 -4.8812 -4.8811 -2.3065 -2.3064 -1.0216 -1.0215 1.2837 1.2837 1.6384 1.6384 2.4341 2.4360 2.6166 2.6179 3.4515 3.4522 4.5161 4.5161 4.7172 4.7173 4.8576 4.8576 5.1662 5.1662 5.1998 5.1998 5.4359 5.4359 7.0559 7.0561 7.8068 7.8068 8.1984 8.1985 8.8543 8.8543 9.6313 9.6314 10.8614 10.8622 11.2200 11.2203 12.5884 12.5887 k = 0.6031 0.0733-1.4426 ( 4075 PWs) bands (ev): -7.1190 -7.1185 -6.7938 -6.7933 -4.9467 -4.9466 -2.3706 -2.3706 -1.0599 -1.0598 1.4156 1.4157 1.6363 1.6363 2.4668 2.4687 2.6716 2.6729 3.4766 3.4773 4.5445 4.5445 4.7089 4.7089 4.8813 4.8813 5.2212 5.2213 5.2346 5.2347 5.4986 5.4986 7.0953 7.0955 7.8351 7.8351 8.2375 8.2376 8.8747 8.8747 9.7101 9.7102 10.8573 10.8581 11.2976 11.2979 12.6335 12.6339 k = 0.6002 0.0729-1.4003 ( 4077 PWs) bands (ev): -7.1539 -7.1534 -6.8284 -6.8279 -5.0112 -5.0112 -2.4340 -2.4340 -1.0990 -1.0989 1.5245 1.5246 1.6481 1.6482 2.5032 2.5048 2.7377 2.7388 3.4986 3.4993 4.5737 4.5737 4.6956 4.6956 4.9060 4.9060 5.2449 5.2449 5.3050 5.3050 5.5681 5.5681 7.1385 7.1386 7.8644 7.8644 8.2737 8.2737 8.8957 8.8957 9.7903 9.7905 10.8533 10.8541 11.3791 11.3794 12.6783 12.6786 k = 0.5972 0.0725-1.3581 ( 4084 PWs) bands (ev): -7.1889 -7.1884 -6.8632 -6.8628 -5.0747 -5.0746 -2.4965 -2.4965 -1.1389 -1.1388 1.5481 1.5481 1.7373 1.7375 2.5459 2.5473 2.8098 2.8108 3.5181 3.5188 4.6034 4.6034 4.6796 4.6796 4.9315 4.9315 5.2689 5.2689 5.3773 5.3773 5.6437 5.6437 7.1855 7.1857 7.8946 7.8946 8.3065 8.3066 8.9171 8.9171 9.8717 9.8719 10.8500 10.8508 11.4638 11.4641 12.7222 12.7225 k = 0.5943 0.0722-1.3159 ( 4083 PWs) bands (ev): -7.2241 -7.2236 -6.8981 -6.8976 -5.1369 -5.1369 -2.5580 -2.5580 -1.1792 -1.1791 1.5237 1.5238 1.8675 1.8677 2.5949 2.5961 2.8853 2.8862 3.5359 3.5366 4.6335 4.6337 4.6628 4.6629 4.9579 4.9579 5.2936 5.2936 5.4493 5.4493 5.7250 5.7250 7.2367 7.2368 7.9257 7.9257 8.3359 8.3359 8.9388 8.9388 9.9537 9.9539 10.8478 10.8487 11.5510 11.5513 12.7648 12.7652 k = 0.5914 0.0718-1.2737 ( 4079 PWs) bands (ev): -7.2592 -7.2587 -6.9330 -6.9325 -5.1979 -5.1979 -2.6184 -2.6183 -1.2197 -1.2196 1.4871 1.4872 2.0041 2.0043 2.6493 2.6503 2.9625 2.9632 3.5535 3.5542 4.6461 4.6464 4.6643 4.6645 4.9850 4.9850 5.3190 5.3190 5.5194 5.5194 5.8118 5.8118 7.2921 7.2923 7.9576 7.9576 8.3616 8.3617 8.9609 8.9609 10.0358 10.0360 10.8474 10.8483 11.6400 11.6403 12.8058 12.8062 k = 0.5884 0.0715-1.2314 ( 4076 PWs) bands (ev): -7.2942 -7.2937 -6.9676 -6.9671 -5.2575 -5.2574 -2.6775 -2.6775 -1.2603 -1.2603 1.4449 1.4450 2.1408 2.1410 2.7076 2.7085 3.0401 3.0407 3.5723 3.5730 4.6315 4.6316 4.6952 4.6953 5.0130 5.0130 5.3451 5.3451 5.5862 5.5862 5.9041 5.9041 7.3519 7.3520 7.9903 7.9903 8.3837 8.3837 8.9833 8.9833 10.1171 10.1173 10.8494 10.8503 11.7298 11.7301 12.8450 12.8454 k = 0.5855 0.0711-1.1892 ( 4081 PWs) bands (ev): -7.3290 -7.3285 -7.0020 -7.0016 -5.3156 -5.3155 -2.7354 -2.7353 -1.3009 -1.3008 1.3995 1.3997 2.2753 2.2755 2.7685 2.7692 3.1169 3.1173 3.5947 3.5954 4.6192 4.6194 4.7262 4.7263 5.0415 5.0415 5.3718 5.3718 5.6487 5.6487 6.0016 6.0017 7.4160 7.4162 8.0237 8.0237 8.4020 8.4020 9.0058 9.0058 10.1965 10.1967 10.8549 10.8558 11.8191 11.8194 12.8825 12.8829 k = 0.5825 0.0707-1.1470 ( 4080 PWs) bands (ev): -7.3634 -7.3629 -7.0361 -7.0356 -5.3721 -5.3720 -2.7918 -2.7918 -1.3411 -1.3410 1.3523 1.3525 2.4054 2.4057 2.8304 2.8310 3.1917 3.1921 3.6232 3.6239 4.6104 4.6106 4.7573 4.7574 5.0707 5.0707 5.3991 5.3991 5.7063 5.7063 6.1040 6.1040 7.4845 7.4846 8.0577 8.0577 8.4166 8.4167 9.0284 9.0284 10.2724 10.2726 10.8651 10.8661 11.9062 11.9066 12.9185 12.9189 k = 0.5796 0.0704-1.1047 ( 4084 PWs) bands (ev): -7.3974 -7.3970 -7.0697 -7.0692 -5.4270 -5.4270 -2.8468 -2.8468 -1.3810 -1.3809 1.3042 1.3043 2.5289 2.5292 2.8918 2.8922 3.2644 3.2647 3.6606 3.6613 4.6058 4.6060 4.7883 4.7884 5.1003 5.1003 5.4270 5.4270 5.7587 5.7587 6.2105 6.2105 7.5571 7.5572 8.0922 8.0922 8.4276 8.4277 9.0511 9.0511 10.3428 10.3430 10.8820 10.8829 11.9891 11.9895 12.9544 12.9548 k = 0.5766 0.0700-1.0625 ( 4084 PWs) bands (ev): -7.4309 -7.4305 -7.1027 -7.1023 -5.4803 -5.4802 -2.9003 -2.9002 -1.4202 -1.4202 1.2558 1.2559 2.6431 2.6435 2.9504 2.9507 3.3361 3.3363 3.7092 3.7098 4.6063 4.6064 4.8192 4.8192 5.1304 5.1304 5.4554 5.4554 5.8060 5.8060 6.3204 6.3204 7.6336 7.6337 8.1272 8.1272 8.4351 8.4352 9.0736 9.0736 10.4053 10.4054 10.9076 10.9085 12.0650 12.0655 12.9917 12.9922 k = 0.5737 0.0697-1.0203 ( 4080 PWs) bands (ev): -7.4638 -7.4634 -7.1351 -7.1347 -5.5318 -5.5318 -2.9521 -2.9521 -1.4588 -1.4588 1.2076 1.2078 2.7453 2.7458 3.0035 3.0036 3.4103 3.4105 3.7696 3.7702 4.6124 4.6125 4.8497 4.8497 5.1608 5.1608 5.4843 5.4843 5.8483 5.8483 6.4330 6.4330 7.7137 7.7138 8.1625 8.1625 8.4393 8.4393 9.0960 9.0960 10.4573 10.4574 10.9441 10.9449 12.1308 12.1313 13.0331 13.0335 k = 0.5707 0.0693-0.9781 ( 4087 PWs) bands (ev): -7.4960 -7.4956 -7.1669 -7.1665 -5.5816 -5.5816 -3.0023 -3.0023 -1.4966 -1.4966 1.1600 1.1602 2.8338 2.8343 3.0478 3.0479 3.4916 3.4917 3.8412 3.8417 4.6247 4.6248 4.8799 4.8799 5.1914 5.1914 5.5137 5.5137 5.8860 5.8860 6.5475 6.5475 7.7970 7.7971 8.1981 8.1981 8.4403 8.4404 9.1182 9.1182 10.4976 10.4977 10.9924 10.9931 12.1831 12.1837 13.0811 13.0816 k = 0.5678 0.0690-0.9358 ( 4078 PWs) bands (ev): -7.5274 -7.5270 -7.1978 -7.1974 -5.6296 -5.6296 -3.0508 -3.0507 -1.5335 -1.5335 1.1133 1.1135 2.9079 2.9085 3.0816 3.0818 3.5831 3.5832 3.9222 3.9226 4.6438 4.6439 4.9096 4.9096 5.2220 5.2220 5.5435 5.5435 5.9193 5.9193 6.6631 6.6631 7.8829 7.8830 8.2339 8.2339 8.4385 8.4386 9.1400 9.1400 10.5264 10.5266 11.0517 11.0524 12.2195 12.2200 13.1381 13.1388 k = 0.5648 0.0686-0.8936 ( 4078 PWs) bands (ev): -7.5580 -7.5576 -7.2279 -7.2275 -5.6758 -5.6757 -3.0975 -3.0974 -1.5694 -1.5694 1.0678 1.0680 2.9682 2.9689 3.1050 3.1054 3.6850 3.6850 4.0108 4.0112 4.6698 4.6699 4.9387 4.9387 5.2526 5.2526 5.5736 5.5736 5.9485 5.9485 6.7791 6.7791 7.9710 7.9711 8.2698 8.2698 8.4343 8.4344 9.1615 9.1615 10.5453 10.5456 11.1199 11.1205 12.2385 12.2390 13.2046 13.2056 k = 0.5619 0.0682-0.8514 ( 4087 PWs) bands (ev): -7.5877 -7.5873 -7.2571 -7.2567 -5.7200 -5.7200 -3.1423 -3.1423 -1.6042 -1.6042 1.0236 1.0237 3.0159 3.0167 3.1203 3.1209 3.7946 3.7947 4.1057 4.1060 4.7029 4.7029 4.9671 4.9671 5.2828 5.2828 5.6040 5.6040 5.9741 5.9741 6.8946 6.8946 8.0607 8.0607 8.3055 8.3055 8.4280 8.4281 9.1824 9.1824 10.5566 10.5569 11.1940 11.1945 12.2407 12.2412 13.2772 13.2790 k = 0.5589 0.0679-0.8091 ( 4085 PWs) bands (ev): -7.6165 -7.6161 -7.2853 -7.2850 -5.7624 -5.7623 -3.1854 -3.1853 -1.6378 -1.6378 0.9808 0.9810 3.0513 3.0523 3.1306 3.1316 3.9087 3.9089 4.2059 4.2062 4.7428 4.7429 4.9948 4.9948 5.3127 5.3128 5.6346 5.6346 5.9964 5.9964 7.0088 7.0088 8.1511 8.1511 8.3412 8.3412 8.4204 8.4206 9.2028 9.2028 10.5621 10.5625 11.2711 11.2716 12.2279 12.2285 13.3355 13.3390 k = 0.5560 0.0675-0.7669 ( 4080 PWs) bands (ev): -7.6441 -7.6438 -7.3125 -7.3121 -5.8028 -5.8028 -3.2265 -3.2265 -1.6702 -1.6702 0.9396 0.9398 3.0743 3.0755 3.1398 3.1410 4.0239 4.0243 4.3109 4.3113 4.7894 4.7895 5.0217 5.0217 5.3421 5.3421 5.6654 5.6654 6.0157 6.0157 7.1208 7.1209 8.2408 8.2408 8.3765 8.3765 8.4130 8.4132 9.2224 9.2224 10.5634 10.5639 11.3485 11.3489 12.2029 12.2034 13.3080 13.3107 k = 0.5530 0.0672-0.7247 ( 4079 PWs) bands (ev): -7.6707 -7.6704 -7.3386 -7.3382 -5.8413 -5.8412 -3.2657 -3.2657 -1.7013 -1.7012 0.9001 0.9003 3.0851 3.0863 3.1505 3.1518 4.1378 4.1383 4.4201 4.4205 4.8422 4.8423 5.0477 5.0477 5.3708 5.3708 5.6962 5.6962 6.0323 6.0324 7.2296 7.2296 8.3244 8.3246 8.4096 8.4102 8.4128 8.4129 9.2414 9.2414 10.5616 10.5621 11.4233 11.4237 12.1683 12.1688 13.2274 13.2291 k = 0.5501 0.0668-0.6825 ( 4075 PWs) bands (ev): -7.6962 -7.6958 -7.3635 -7.3632 -5.8778 -5.8777 -3.3030 -3.3029 -1.7310 -1.7309 0.8625 0.8626 3.0867 3.0877 3.1619 3.1630 4.2485 4.2491 4.5325 4.5329 4.9008 4.9009 5.0727 5.0727 5.3986 5.3986 5.7268 5.7268 6.0466 6.0466 7.3337 7.3338 8.3688 8.3691 8.4454 8.4458 8.4490 8.4493 9.2595 9.2595 10.5574 10.5579 11.4926 11.4929 12.1268 12.1274 13.1409 13.1422 k = 0.5471 0.0665-0.6402 ( 4069 PWs) bands (ev): -7.7204 -7.7201 -7.3873 -7.3870 -5.9123 -5.9122 -3.3382 -3.3382 -1.7592 -1.7592 0.8266 0.8268 3.0830 3.0839 3.1718 3.1728 4.3550 4.3558 4.6467 4.6473 4.9648 4.9648 5.0967 5.0967 5.4254 5.4254 5.7573 5.7573 6.0587 6.0587 7.4318 7.4318 8.3709 8.3710 8.4797 8.4797 8.5294 8.5297 9.2767 9.2767 10.5514 10.5520 11.5527 11.5531 12.0810 12.0816 13.0596 13.0606 k = 0.5442 0.0661-0.5980 ( 4073 PWs) bands (ev): -7.7434 -7.7431 -7.4098 -7.4095 -5.9448 -5.9447 -3.3715 -3.3715 -1.7860 -1.7859 0.7927 0.7929 3.0764 3.0771 3.1793 3.1801 4.4569 4.4578 4.7609 4.7617 5.0340 5.0341 5.1197 5.1197 5.4512 5.4512 5.7873 5.7873 6.0689 6.0689 7.5217 7.5217 8.3688 8.3688 8.5126 8.5126 8.6161 8.6164 9.2930 9.2930 10.5441 10.5446 11.5997 11.6001 12.0330 12.0335 12.9893 12.9902 k = 0.5413 0.0657-0.5558 ( 4080 PWs) bands (ev): -7.7652 -7.7649 -7.4310 -7.4308 -5.9752 -5.9752 -3.4027 -3.4027 -1.8112 -1.8112 0.7608 0.7609 3.0682 3.0688 3.1842 3.1849 4.5541 4.5550 4.8725 4.8734 5.1086 5.1088 5.1415 5.1415 5.4757 5.4757 5.8168 5.8168 6.0774 6.0775 7.6013 7.6013 8.3706 8.3706 8.5445 8.5445 8.7023 8.7025 9.3083 9.3083 10.5356 10.5362 11.6295 11.6299 11.9841 11.9847 12.9353 12.9361 k = 0.5383 0.0654-0.5136 ( 4083 PWs) bands (ev): -7.7855 -7.7853 -7.4510 -7.4507 -6.0037 -6.0036 -3.4318 -3.4318 -1.8349 -1.8348 0.7309 0.7311 3.0592 3.0597 3.1868 3.1875 4.6464 4.6474 4.9787 4.9797 5.1619 5.1619 5.1894 5.1897 5.4989 5.4989 5.8455 5.8455 6.0844 6.0845 7.6679 7.6679 8.3794 8.3794 8.5753 8.5753 8.7864 8.7866 9.3225 9.3225 10.5264 10.5270 11.6395 11.6399 11.9348 11.9355 12.9019 12.9026 k = 0.5354 0.0650-0.4713 ( 4082 PWs) bands (ev): -7.8046 -7.8043 -7.4696 -7.4693 -6.0300 -6.0300 -3.4589 -3.4589 -1.8569 -1.8569 0.7031 0.7032 3.0499 3.0503 3.1876 3.1882 4.7340 4.7350 5.0768 5.0779 5.1813 5.1813 5.2764 5.2768 5.5207 5.5207 5.8732 5.8732 6.0902 6.0902 7.7195 7.7195 8.3975 8.3975 8.6047 8.6047 8.8676 8.8678 9.3357 9.3357 10.5167 10.5172 11.6301 11.6305 11.8840 11.8847 12.8914 12.8919 k = 0.5324 0.0647-0.4291 ( 4081 PWs) bands (ev): -7.8222 -7.8220 -7.4868 -7.4866 -6.0543 -6.0543 -3.4839 -3.4839 -1.8773 -1.8773 0.6775 0.6775 3.0406 3.0409 3.1870 3.1875 4.8166 4.8176 5.1656 5.1667 5.1993 5.1993 5.3689 5.3694 5.5410 5.5410 5.8998 5.8998 6.0947 6.0948 7.7550 7.7550 8.4257 8.4258 8.6327 8.6327 8.9452 8.9454 9.3477 9.3477 10.5066 10.5071 11.6051 11.6056 11.8298 11.8306 12.9030 12.9035 k = 0.5295 0.0643-0.3869 ( 4080 PWs) bands (ev): -7.8384 -7.8382 -7.5026 -7.5024 -6.0765 -6.0765 -3.5067 -3.5067 -1.8960 -1.8960 0.6539 0.6540 3.0316 3.0319 3.1853 3.1857 4.8941 4.8950 5.2158 5.2159 5.2456 5.2467 5.4645 5.4649 5.5598 5.5598 5.9250 5.9250 6.0983 6.0984 7.7752 7.7753 8.4632 8.4633 8.6591 8.6591 9.0187 9.0189 9.3586 9.3586 10.4964 10.4969 11.5698 11.5703 11.7715 11.7724 12.9336 12.9340 k = 0.5265 0.0639-0.3446 ( 4081 PWs) bands (ev): -7.8531 -7.8529 -7.5170 -7.5168 -6.0966 -6.0966 -3.5274 -3.5274 -1.9130 -1.9130 0.6325 0.6326 3.0230 3.0233 3.1828 3.1832 4.9659 4.9668 5.2311 5.2311 5.3177 5.3187 5.5597 5.5602 5.5771 5.5771 5.9486 5.9486 6.1009 6.1011 7.7826 7.7826 8.5075 8.5075 8.6837 8.6837 9.0874 9.0875 9.3683 9.3683 10.4863 10.4868 11.5288 11.5294 11.7102 11.7111 12.9782 12.9785 k = 0.5236 0.0636-0.3024 ( 4075 PWs) bands (ev): -7.8664 -7.8662 -7.5299 -7.5297 -6.1147 -6.1146 -3.5460 -3.5460 -1.9283 -1.9283 0.6133 0.6134 3.0150 3.0153 3.1800 3.1803 5.0319 5.0327 5.2449 5.2449 5.3831 5.3839 5.5922 5.5923 5.6524 5.6527 5.9704 5.9704 6.1029 6.1030 7.7802 7.7803 8.5553 8.5553 8.7063 8.7063 9.1507 9.1509 9.3769 9.3769 10.4765 10.4769 11.4857 11.4863 11.6481 11.6491 13.0318 13.0321 k = 0.5206 0.0632-0.2602 ( 4077 PWs) bands (ev): -7.8781 -7.8780 -7.5413 -7.5412 -6.1306 -6.1306 -3.5624 -3.5624 -1.9419 -1.9418 0.5964 0.5964 3.0078 3.0080 3.1769 3.1773 5.0915 5.0922 5.2572 5.2572 5.4421 5.4428 5.6060 5.6061 5.7390 5.7394 5.9901 5.9901 6.1041 6.1043 7.7712 7.7713 8.6036 8.6036 8.7267 8.7267 9.2082 9.2083 9.3844 9.3844 10.4671 10.4675 11.4428 11.4435 11.5877 11.5888 13.0899 13.0902 k = 0.5177 0.0629-0.2180 ( 4081 PWs) bands (ev): -7.8883 -7.8882 -7.5513 -7.5512 -6.1444 -6.1444 -3.5766 -3.5766 -1.9536 -1.9536 0.5816 0.5817 3.0013 3.0015 3.1739 3.1742 5.1443 5.1449 5.2680 5.2680 5.4947 5.4952 5.6181 5.6181 5.8182 5.8185 6.0077 6.0077 6.1049 6.1051 7.7582 7.7583 8.6497 8.6497 8.7449 8.7449 9.2593 9.2594 9.3909 9.3909 10.4585 10.4588 11.4019 11.4027 11.5317 11.5327 13.1486 13.1489 k = 0.5147 0.0625-0.1757 ( 4087 PWs) bands (ev): -7.8970 -7.8969 -7.5597 -7.5596 -6.1561 -6.1561 -3.5887 -3.5887 -1.9636 -1.9636 0.5691 0.5692 2.9958 2.9959 3.1711 3.1713 5.1898 5.1903 5.2772 5.2773 5.5404 5.5408 5.6284 5.6285 5.8881 5.8885 6.0229 6.0229 6.1052 6.1055 7.7436 7.7437 8.6916 8.6916 8.7606 8.7606 9.3035 9.3036 9.3963 9.3963 10.4506 10.4509 11.3643 11.3651 11.4820 11.4830 13.2045 13.2048 k = 0.5118 0.0622-0.1335 ( 4091 PWs) bands (ev): -7.9041 -7.9040 -7.5667 -7.5666 -6.1657 -6.1657 -3.5986 -3.5986 -1.9718 -1.9718 0.5589 0.5589 2.9912 2.9913 3.1686 3.1688 5.2275 5.2279 5.2850 5.2851 5.5788 5.5791 5.6371 5.6371 5.9474 5.9478 6.0356 6.0356 6.1053 6.1056 7.7291 7.7292 8.7276 8.7276 8.7738 8.7738 9.3403 9.3403 9.4007 9.4007 10.4439 10.4441 11.3312 11.3319 11.4403 11.4412 13.2547 13.2549 k = 0.5088 0.0618-0.0913 ( 4091 PWs) bands (ev): -7.9097 -7.9096 -7.5721 -7.5720 -6.1731 -6.1731 -3.6063 -3.6063 -1.9782 -1.9782 0.5509 0.5509 2.9875 2.9876 3.1666 3.1667 5.2569 5.2572 5.2915 5.2915 5.6091 5.6093 5.6442 5.6442 5.9949 5.9952 6.0457 6.0457 6.1053 6.1056 7.7162 7.7163 8.7564 8.7564 8.7845 8.7845 9.3692 9.3692 9.4042 9.4042 10.4384 10.4386 11.3037 11.3043 11.4074 11.4082 13.2963 13.2965 k = 0.5059 0.0614-0.0490 ( 4084 PWs) bands (ev): -7.9136 -7.9136 -7.5759 -7.5759 -6.1784 -6.1784 -3.6118 -3.6118 -1.9827 -1.9827 0.5452 0.5452 2.9849 2.9850 3.1651 3.1652 5.2772 5.2774 5.2971 5.2971 5.6303 5.6304 5.6502 5.6502 6.0292 6.0296 6.0533 6.0533 6.1052 6.1055 7.7061 7.7062 8.7768 8.7768 8.7931 8.7931 9.3896 9.3897 9.4072 9.4072 10.4344 10.4345 11.2830 11.2835 11.3839 11.3844 13.3266 13.3267 k = 0.5029 0.0611-0.0068 ( 4084 PWs) bands (ev): -7.9160 -7.9160 -7.5782 -7.5782 -6.1816 -6.1816 -3.6151 -3.6151 -1.9855 -1.9855 0.5418 0.5418 2.9833 2.9834 3.1642 3.1642 5.2878 5.2879 5.3022 5.3022 5.6414 5.6415 5.6556 5.6556 6.0489 6.0492 6.0591 6.0592 6.1052 6.1054 7.6997 7.6998 8.7878 8.7878 8.7996 8.7996 9.4007 9.4007 9.4103 9.4103 10.4319 10.4320 11.2702 11.2704 11.3698 11.3701 13.3419 13.3420 k = 0.5000 0.0607 0.0354 ( 4086 PWs) bands (ev): -7.9168 -7.9168 -7.5790 -7.5790 -6.1827 -6.1827 -3.6162 -3.6162 -1.9864 -1.9864 0.5407 0.5407 2.9828 2.9828 3.1639 3.1639 5.2906 5.2906 5.3046 5.3046 5.6444 5.6444 5.6581 5.6581 6.0542 6.0542 6.0626 6.0626 6.1053 6.1053 7.6975 7.6975 8.7909 8.7909 8.8024 8.8024 9.4034 9.4034 9.4122 9.4122 10.4311 10.4311 11.2660 11.2660 11.3653 11.3653 13.3445 13.3445 k = 0.5000-2.0280-1.1824 ( 4032 PWs) bands (ev): -6.6544 -6.6544 -6.3294 -6.3294 -3.8386 -3.8386 -1.2779 -1.2779 -0.7645 -0.7645 -0.4982 -0.4982 1.2886 1.2886 1.5719 1.5719 2.7952 2.7952 3.2458 3.2458 4.1524 4.1524 4.2001 4.2001 4.6050 4.6050 4.6500 4.6500 4.9647 4.9647 5.1858 5.1858 6.7027 6.7027 7.5024 7.5024 7.6930 7.6930 8.6291 8.6291 8.6311 8.6311 10.4778 10.4778 10.9748 10.9748 11.7803 11.7803 k = 0.5413-2.0204-1.1780 ( 4030 PWs) bands (ev): -6.6544 -6.6544 -6.3294 -6.3294 -3.8387 -3.8387 -1.2782 -1.2782 -0.7636 -0.7636 -0.4989 -0.4989 1.2855 1.2855 1.5757 1.5757 2.7924 2.7924 3.2505 3.2505 4.1460 4.1461 4.2001 4.2001 4.6051 4.6051 4.6533 4.6533 4.9646 4.9646 5.1851 5.1851 6.7072 6.7072 7.5025 7.5025 7.6887 7.6887 8.6300 8.6300 8.6311 8.6311 10.4756 10.4756 10.9744 10.9744 11.7871 11.7871 k = 0.5825-2.0128-1.1735 ( 4036 PWs) bands (ev): -6.6545 -6.6545 -6.3295 -6.3295 -3.8387 -3.8387 -1.2789 -1.2789 -0.7609 -0.7608 -0.5007 -0.5007 1.2770 1.2770 1.5865 1.5865 2.7845 2.7845 3.2642 3.2642 4.1283 4.1283 4.2000 4.2001 4.6053 4.6053 4.6615 4.6616 4.9644 4.9644 5.1834 5.1835 6.7202 6.7202 7.5027 7.5027 7.6758 7.6759 8.6307 8.6307 8.6328 8.6328 10.4689 10.4689 10.9736 10.9737 11.8069 11.8070 k = 0.6238-2.0052-1.1691 ( 4029 PWs) bands (ev): -6.6545 -6.6545 -6.3295 -6.3295 -3.8388 -3.8388 -1.2801 -1.2801 -0.7564 -0.7564 -0.5038 -0.5038 1.2645 1.2646 1.6025 1.6025 2.7727 2.7728 3.2852 3.2852 4.1024 4.1024 4.2000 4.2000 4.6057 4.6057 4.6707 4.6709 4.9641 4.9641 5.1827 5.1828 6.7409 6.7409 7.5031 7.5031 7.6557 7.6557 8.6303 8.6303 8.6364 8.6364 10.4581 10.4581 10.9739 10.9740 11.8375 11.8375 k = 0.6650-1.9976-1.1647 ( 4029 PWs) bands (ev): -6.6545 -6.6545 -6.3295 -6.3295 -3.8390 -3.8390 -1.2815 -1.2815 -0.7504 -0.7504 -0.5079 -0.5079 1.2500 1.2500 1.6218 1.6218 2.7587 2.7588 3.3113 3.3113 4.0721 4.0721 4.1998 4.1999 4.6062 4.6062 4.6767 4.6768 4.9636 4.9636 5.1848 5.1849 6.7677 6.7678 7.5035 7.5035 7.6296 7.6296 8.6298 8.6298 8.6405 8.6405 10.4435 10.4435 10.9768 10.9769 11.8759 11.8759 k = 0.7063-1.9900-1.1602 ( 4023 PWs) bands (ev): -6.6546 -6.6546 -6.3296 -6.3296 -3.8391 -3.8391 -1.2833 -1.2833 -0.7432 -0.7432 -0.5129 -0.5129 1.2348 1.2348 1.6425 1.6425 2.7440 2.7441 3.3402 3.3403 4.0408 4.0409 4.1997 4.1997 4.6068 4.6068 4.6760 4.6762 4.9632 4.9632 5.1914 5.1916 6.7989 6.7990 7.5041 7.5041 7.5995 7.5995 8.6292 8.6292 8.6442 8.6443 10.4261 10.4262 10.9832 10.9833 11.9189 11.9189 k = 0.7475-1.9824-1.1558 ( 4025 PWs) bands (ev): -6.6547 -6.6546 -6.3297 -6.3296 -3.8394 -3.8394 -1.2852 -1.2852 -0.7351 -0.7351 -0.5187 -0.5187 1.2201 1.2201 1.6630 1.6631 2.7296 2.7297 3.3698 3.3698 4.0116 4.0116 4.1996 4.1996 4.6074 4.6074 4.6675 4.6677 4.9626 4.9626 5.2028 5.2030 6.8325 6.8325 7.5047 7.5047 7.5674 7.5674 8.6286 8.6286 8.6471 8.6471 10.4072 10.4073 10.9931 10.9932 11.9633 11.9633 k = 0.7888-1.9749-1.1514 ( 4021 PWs) bands (ev): -6.6547 -6.6547 -6.3297 -6.3297 -3.8396 -3.8396 -1.2871 -1.2871 -0.7265 -0.7265 -0.5249 -0.5249 1.2068 1.2069 1.6822 1.6823 2.7164 2.7165 3.3980 3.3981 3.9864 3.9865 4.1995 4.1995 4.6081 4.6081 4.6522 4.6524 4.9621 4.9621 5.2179 5.2181 6.8664 6.8664 7.5053 7.5053 7.5354 7.5354 8.6279 8.6279 8.6487 8.6487 10.3883 10.3883 11.0057 11.0058 12.0062 12.0063 k = 0.8300-1.9673-1.1470 ( 4025 PWs) bands (ev): -6.6548 -6.6548 -6.3298 -6.3298 -3.8399 -3.8399 -1.2889 -1.2889 -0.7180 -0.7180 -0.5312 -0.5312 1.1955 1.1956 1.6991 1.6991 2.7048 2.7049 3.4233 3.4234 3.9667 3.9668 4.1994 4.1994 4.6086 4.6086 4.6328 4.6330 4.9616 4.9616 5.2342 5.2344 6.8986 6.8986 7.5054 7.5055 7.5060 7.5060 8.6273 8.6273 8.6491 8.6491 10.3706 10.3707 11.0198 11.0198 12.0451 12.0451 Writing output data file Al6C3N2.save init_run : 5.05s CPU 13.76s WALL ( 1 calls) electrons : 3061.66s CPU 3080.24s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.95s CPU 2.34s WALL ( 1 calls) Called by electrons: c_bands : 3061.64s CPU 3079.88s WALL ( 1 calls) v_of_rho : 0.21s CPU 1.26s WALL ( 1 calls) v_h : 0.03s CPU 0.05s WALL ( 1 calls) v_xc : 0.18s CPU 0.79s WALL ( 1 calls) newd : 0.64s CPU 0.82s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.31s WALL ( 339 calls) cegterg : 2728.74s CPU 2742.85s WALL ( 657 calls) Called by sum_band: Called by *egterg: h_psi : 2749.56s CPU 2768.05s WALL ( 9305 calls) s_psi : 51.52s CPU 51.89s WALL ( 9305 calls) g_psi : 0.55s CPU 0.56s WALL ( 8309 calls) cdiaghg : 162.34s CPU 160.17s WALL ( 8648 calls) cegterg:over : 40.82s CPU 38.60s WALL ( 8309 calls) cegterg:upda : 8.10s CPU 10.64s WALL ( 8309 calls) cegterg:last : 6.65s CPU 7.31s WALL ( 1684 calls) Called by h_psi: h_psi:vloc : 2649.19s CPU 2665.79s WALL ( 9305 calls) h_psi:vnl : 100.01s CPU 101.55s WALL ( 9305 calls) add_vuspsi : 38.60s CPU 41.45s WALL ( 9305 calls) General routines calbec : 61.32s CPU 59.96s WALL ( 9305 calls) fft : 0.39s CPU 1.26s WALL ( 19 calls) ffts : 0.27s CPU 0.35s WALL ( 4 calls) fftw : 1872.65s CPU 1880.27s WALL ( 1069292 calls) interpolate : 0.37s CPU 0.44s WALL ( 4 calls) davcio : 0.04s CPU 1.65s WALL ( 678 calls) Parallel routines fft_scatter : 788.18s CPU 787.60s WALL ( 1069315 calls) PWSCF : 52m 0.00s CPU 53m35.20s WALL This run was terminated on: 8:56:13 5Dec2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=