Program PWSCF v.5.3.0 (svn rev. 11974) starts on 1Feb2017 at 10: 0:28 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./SnxSbTe2x2.save/ file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 59 45 13 1400 932 146 Max 60 46 14 1402 946 148 Sum 4277 3269 951 100849 67681 10569 bravais-lattice index = 14 lattice parameter (alat) = 26.6848 a.u. unit-cell volume = 1509.0252 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 250.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 26.684780 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.953420 celldm(5)= 0.953420 celldm(6)= 0.953420 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.953420 0.301644 0.000000 ) a(3) = ( 0.953420 0.147226 0.263275 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -3.160743 -1.853867 ) b(2) = ( 0.000000 3.315161 -1.853867 ) b(3) = ( 0.000000 0.000000 3.798304 ) PseudoPot. # 1 for Sn read from file: /users/gautes/Pseudo/Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 9499e19b89e678f7f9f46ad7de03aa82 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 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 Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 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 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Sn 14.00 118.71000 Sn( 1.00) Sb 5.00 121.76000 Sb( 1.00) Te 6.00 127.60000 Te( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 265 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 2) = ( 0.0116279 -0.0367528 -0.0215566), wk = 0.0037736 k( 3) = ( 0.0232558 -0.0735056 -0.0431132), wk = 0.0037736 k( 4) = ( 0.0348837 -0.1102585 -0.0646698), wk = 0.0037736 k( 5) = ( 0.0465116 -0.1470113 -0.0862264), wk = 0.0037736 k( 6) = ( 0.0581395 -0.1837641 -0.1077829), wk = 0.0037736 k( 7) = ( 0.0697674 -0.2205169 -0.1293395), wk = 0.0037736 k( 8) = ( 0.0813954 -0.2572697 -0.1508961), wk = 0.0037736 k( 9) = ( 0.0930233 -0.2940226 -0.1724527), wk = 0.0037736 k( 10) = ( 0.1046512 -0.3307754 -0.1940093), wk = 0.0037736 k( 11) = ( 0.1162791 -0.3675282 -0.2155659), wk = 0.0037736 k( 12) = ( 0.1279070 -0.4042810 -0.2371225), wk = 0.0037736 k( 13) = ( 0.1395349 -0.4410338 -0.2586791), wk = 0.0037736 k( 14) = ( 0.1511628 -0.4777867 -0.2802357), wk = 0.0037736 k( 15) = ( 0.1627907 -0.5145395 -0.3017923), wk = 0.0037736 k( 16) = ( 0.1744186 -0.5512923 -0.3233488), wk = 0.0037736 k( 17) = ( 0.1860465 -0.5880451 -0.3449054), wk = 0.0037736 k( 18) = ( 0.1976744 -0.6247980 -0.3664620), wk = 0.0037736 k( 19) = ( 0.2093023 -0.6615508 -0.3880186), wk = 0.0037736 k( 20) = ( 0.2209302 -0.6983036 -0.4095752), wk = 0.0037736 k( 21) = ( 0.2325581 -0.7350564 -0.4311318), wk = 0.0037736 k( 22) = ( 0.2441860 -0.7718092 -0.4526884), wk = 0.0037736 k( 23) = ( 0.2558140 -0.8085620 -0.4742450), wk = 0.0037736 k( 24) = ( 0.2674419 -0.8453149 -0.4958015), wk = 0.0037736 k( 25) = ( 0.2790698 -0.8820677 -0.5173581), wk = 0.0037736 k( 26) = ( 0.2906977 -0.9188205 -0.5389147), wk = 0.0037736 k( 27) = ( 0.3023256 -0.9555733 -0.5604713), wk = 0.0037736 k( 28) = ( 0.3139535 -0.9923262 -0.5820279), wk = 0.0037736 k( 29) = ( 0.3255814 -1.0290790 -0.6035845), wk = 0.0037736 k( 30) = ( 0.3372093 -1.0658318 -0.6251411), wk = 0.0037736 k( 31) = ( 0.3488372 -1.1025846 -0.6466977), wk = 0.0037736 k( 32) = ( 0.3604651 -1.1393375 -0.6682543), wk = 0.0037736 k( 33) = ( 0.3720930 -1.1760903 -0.6898108), wk = 0.0037736 k( 34) = ( 0.3837209 -1.2128431 -0.7113674), wk = 0.0037736 k( 35) = ( 0.3953488 -1.2495959 -0.7329240), wk = 0.0037736 k( 36) = ( 0.4069767 -1.2863487 -0.7544806), wk = 0.0037736 k( 37) = ( 0.4186047 -1.3231015 -0.7760372), wk = 0.0037736 k( 38) = ( 0.4302326 -1.3598544 -0.7975938), wk = 0.0037736 k( 39) = ( 0.4418605 -1.3966072 -0.8191504), wk = 0.0037736 k( 40) = ( 0.4534884 -1.4333600 -0.8407070), wk = 0.0037736 k( 41) = ( 0.4651163 -1.4701128 -0.8622636), wk = 0.0037736 k( 42) = ( 0.4767442 -1.5068657 -0.8838202), wk = 0.0037736 k( 43) = ( 0.4883721 -1.5436185 -0.9053767), wk = 0.0037736 k( 44) = ( 0.5000000 -1.5803713 -0.9269333), wk = 0.0037736 k( 45) = ( 0.5000000 -1.5803713 -0.9269333), wk = 0.0037736 k( 46) = ( 0.5000000 -1.5584392 -0.9643263), wk = 0.0037736 k( 47) = ( 0.5000000 -1.5365071 -1.0017194), wk = 0.0037736 k( 48) = ( 0.5000000 -1.5145750 -1.0391124), wk = 0.0037736 k( 49) = ( 0.5000000 -1.4926429 -1.0765054), wk = 0.0037736 k( 50) = ( 0.5000000 -1.4707108 -1.1138985), wk = 0.0037736 k( 51) = ( 0.5000000 -1.4487788 -1.1512915), wk = 0.0037736 k( 52) = ( 0.5000000 -1.4268466 -1.1886846), wk = 0.0037736 k( 53) = ( 0.5000000 -1.4049146 -1.2260776), wk = 0.0037736 k( 54) = ( 0.5000000 -1.3829825 -1.2634706), wk = 0.0037736 k( 55) = ( 0.5000000 -1.3610504 -1.3008637), wk = 0.0037736 k( 56) = ( 0.5000000 -1.3391183 -1.3382567), wk = 0.0037736 k( 57) = ( 0.5000000 -1.3171862 -1.3756497), wk = 0.0037736 k( 58) = ( 0.5000000 -1.2952541 -1.4130427), wk = 0.0037736 k( 59) = ( 0.5000000 -1.2733220 -1.4504358), wk = 0.0037736 k( 60) = ( 0.5000000 -1.2513899 -1.4878288), wk = 0.0037736 k( 61) = ( 0.5000000 -1.2294578 -1.5252218), wk = 0.0037736 k( 62) = ( 0.5000000 -1.2075258 -1.5626148), wk = 0.0037736 k( 63) = ( 0.5000000 -1.1855937 -1.6000079), wk = 0.0037736 k( 64) = ( 0.5000000 -1.1636616 -1.6374009), wk = 0.0037736 k( 65) = ( 0.5000000 -1.1417295 -1.6747939), wk = 0.0037736 k( 66) = ( 0.5000000 -1.1197974 -1.7121870), wk = 0.0037736 k( 67) = ( 0.5000000 -1.0978653 -1.7495800), wk = 0.0037736 k( 68) = ( 0.5000000 -1.0759332 -1.7869730), wk = 0.0037736 k( 69) = ( 0.5000000 -1.0540011 -1.8243661), wk = 0.0037736 k( 70) = ( 0.5000000 -1.0320690 -1.8617591), wk = 0.0037736 k( 71) = ( 0.5000000 -1.0101370 -1.8991521), wk = 0.0037736 k( 72) = ( 0.8279920 -0.9594889 -1.8085812), wk = 0.0037736 k( 73) = ( 0.8211588 -0.9378910 -1.7699589), wk = 0.0037736 k( 74) = ( 0.8143256 -0.9162931 -1.7313367), wk = 0.0037736 k( 75) = ( 0.8074925 -0.8946952 -1.6927145), wk = 0.0037736 k( 76) = ( 0.8006593 -0.8730974 -1.6540923), wk = 0.0037736 k( 77) = ( 0.7938261 -0.8514995 -1.6154701), wk = 0.0037736 k( 78) = ( 0.7869930 -0.8299016 -1.5768478), wk = 0.0037736 k( 79) = ( 0.7801598 -0.8083037 -1.5382256), wk = 0.0037736 k( 80) = ( 0.7733266 -0.7867059 -1.4996034), wk = 0.0037736 k( 81) = ( 0.7664935 -0.7651080 -1.4609812), wk = 0.0037736 k( 82) = ( 0.7596603 -0.7435101 -1.4223590), wk = 0.0037736 k( 83) = ( 0.7528271 -0.7219122 -1.3837367), wk = 0.0037736 k( 84) = ( 0.7459940 -0.7003143 -1.3451145), wk = 0.0037736 k( 85) = ( 0.7391608 -0.6787165 -1.3064923), wk = 0.0037736 k( 86) = ( 0.7323276 -0.6571186 -1.2678701), wk = 0.0037736 k( 87) = ( 0.7254945 -0.6355207 -1.2292479), wk = 0.0037736 k( 88) = ( 0.7186613 -0.6139228 -1.1906256), wk = 0.0037736 k( 89) = ( 0.7118281 -0.5923249 -1.1520034), wk = 0.0037736 k( 90) = ( 0.7049950 -0.5707271 -1.1133812), wk = 0.0037736 k( 91) = ( 0.6981618 -0.5491292 -1.0747589), wk = 0.0037736 k( 92) = ( 0.6913286 -0.5275313 -1.0361368), wk = 0.0037736 k( 93) = ( 0.6844955 -0.5059334 -0.9975145), wk = 0.0037736 k( 94) = ( 0.6776623 -0.4843355 -0.9588923), wk = 0.0037736 k( 95) = ( 0.6708291 -0.4627377 -0.9202701), wk = 0.0037736 k( 96) = ( 0.6639960 -0.4411398 -0.8816478), wk = 0.0037736 k( 97) = ( 0.6571628 -0.4195419 -0.8430256), wk = 0.0037736 k( 98) = ( 0.6503296 -0.3979440 -0.8044034), wk = 0.0037736 k( 99) = ( 0.6434965 -0.3763462 -0.7657812), wk = 0.0037736 k( 100) = ( 0.6366633 -0.3547483 -0.7271590), wk = 0.0037736 k( 101) = ( 0.6298301 -0.3331504 -0.6885367), wk = 0.0037736 k( 102) = ( 0.6229970 -0.3115525 -0.6499145), wk = 0.0037736 k( 103) = ( 0.6161638 -0.2899546 -0.6112923), wk = 0.0037736 k( 104) = ( 0.6093307 -0.2683568 -0.5726701), wk = 0.0037736 k( 105) = ( 0.6024975 -0.2467589 -0.5340479), wk = 0.0037736 k( 106) = ( 0.5956643 -0.2251610 -0.4954256), wk = 0.0037736 k( 107) = ( 0.5888312 -0.2035631 -0.4568034), wk = 0.0037736 k( 108) = ( 0.5819980 -0.1819652 -0.4181812), wk = 0.0037736 k( 109) = ( 0.5751648 -0.1603674 -0.3795590), wk = 0.0037736 k( 110) = ( 0.5683317 -0.1387695 -0.3409367), wk = 0.0037736 k( 111) = ( 0.5614985 -0.1171716 -0.3023145), wk = 0.0037736 k( 112) = ( 0.5546653 -0.0955737 -0.2636923), wk = 0.0037736 k( 113) = ( 0.5478322 -0.0739758 -0.2250701), wk = 0.0037736 k( 114) = ( 0.5409990 -0.0523780 -0.1864479), wk = 0.0037736 k( 115) = ( 0.5341658 -0.0307801 -0.1478256), wk = 0.0037736 k( 116) = ( 0.5273327 -0.0091822 -0.1092034), wk = 0.0037736 k( 117) = ( 0.5204995 0.0124157 -0.0705812), wk = 0.0037736 k( 118) = ( 0.5136663 0.0340135 -0.0319590), wk = 0.0037736 k( 119) = ( 0.5068332 0.0556114 0.0066632), wk = 0.0037736 k( 120) = ( 0.5000000 0.0772093 0.0452855), wk = 0.0037736 k( 121) = ( 0.5000000 0.0772093 0.0452855), wk = 0.0037736 k( 122) = ( 0.4583333 0.0707752 0.0415117), wk = 0.0037736 k( 123) = ( 0.4166667 0.0643411 0.0377379), wk = 0.0037736 k( 124) = ( 0.3750000 0.0579070 0.0339641), wk = 0.0037736 k( 125) = ( 0.3333333 0.0514729 0.0301903), wk = 0.0037736 k( 126) = ( 0.2916667 0.0450388 0.0264165), wk = 0.0037736 k( 127) = ( 0.2500000 0.0386047 0.0226427), wk = 0.0037736 k( 128) = ( 0.2083333 0.0321705 0.0188689), wk = 0.0037736 k( 129) = ( 0.1666667 0.0257364 0.0150952), wk = 0.0037736 k( 130) = ( 0.1250000 0.0193023 0.0113214), wk = 0.0037736 k( 131) = ( 0.0833333 0.0128682 0.0075476), wk = 0.0037736 k( 132) = ( 0.0416667 0.0064341 0.0037738), wk = 0.0037736 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 135) = ( 0.0068572 -0.0216739 -0.0387582), wk = 0.0037736 k( 136) = ( 0.0137144 -0.0433478 -0.0775164), wk = 0.0037736 k( 137) = ( 0.0205717 -0.0650218 -0.1162746), wk = 0.0037736 k( 138) = ( 0.0274289 -0.0866957 -0.1550328), wk = 0.0037736 k( 139) = ( 0.0342861 -0.1083696 -0.1937910), wk = 0.0037736 k( 140) = ( 0.0411434 -0.1300435 -0.2325492), wk = 0.0037736 k( 141) = ( 0.0480006 -0.1517174 -0.2713074), wk = 0.0037736 k( 142) = ( 0.0548578 -0.1733914 -0.3100657), wk = 0.0037736 k( 143) = ( 0.0617150 -0.1950653 -0.3488238), wk = 0.0037736 k( 144) = ( 0.0685723 -0.2167392 -0.3875821), wk = 0.0037736 k( 145) = ( 0.0754295 -0.2384131 -0.4263403), wk = 0.0037736 k( 146) = ( 0.0822867 -0.2600871 -0.4650985), wk = 0.0037736 k( 147) = ( 0.0891439 -0.2817610 -0.5038567), wk = 0.0037736 k( 148) = ( 0.0960011 -0.3034349 -0.5426149), wk = 0.0037736 k( 149) = ( 0.1028584 -0.3251088 -0.5813731), wk = 0.0037736 k( 150) = ( 0.1097156 -0.3467828 -0.6201313), wk = 0.0037736 k( 151) = ( 0.1165728 -0.3684567 -0.6588895), wk = 0.0037736 k( 152) = ( 0.1234300 -0.3901306 -0.6976477), wk = 0.0037736 k( 153) = ( 0.1302873 -0.4118045 -0.7364059), wk = 0.0037736 k( 154) = ( 0.1371445 -0.4334785 -0.7751642), wk = 0.0037736 k( 155) = ( 0.1440017 -0.4551524 -0.8139223), wk = 0.0037736 k( 156) = ( 0.1508589 -0.4768263 -0.8526806), wk = 0.0037736 k( 157) = ( 0.1577162 -0.4985002 -0.8914387), wk = 0.0037736 k( 158) = ( 0.1645734 -0.5201742 -0.9301970), wk = 0.0037736 k( 159) = ( 0.1714306 -0.5418481 -0.9689552), wk = 0.0037736 k( 160) = ( 0.1782878 -0.5635220 -1.0077134), wk = 0.0037736 k( 161) = ( 0.1851451 -0.5851959 -1.0464716), wk = 0.0037736 k( 162) = ( 0.1920023 -0.6068698 -1.0852298), wk = 0.0037736 k( 163) = ( 0.1988595 -0.6285438 -1.1239880), wk = 0.0037736 k( 164) = ( 0.2057168 -0.6502177 -1.1627462), wk = 0.0037736 k( 165) = ( 0.2125740 -0.6718916 -1.2015044), wk = 0.0037736 k( 166) = ( 0.2194312 -0.6935655 -1.2402626), wk = 0.0037736 k( 167) = ( 0.2262884 -0.7152394 -1.2790208), wk = 0.0037736 k( 168) = ( 0.2331456 -0.7369134 -1.3177790), wk = 0.0037736 k( 169) = ( 0.2400029 -0.7585873 -1.3565372), wk = 0.0037736 k( 170) = ( 0.2468601 -0.7802612 -1.3952954), wk = 0.0037736 k( 171) = ( 0.2537173 -0.8019351 -1.4340537), wk = 0.0037736 k( 172) = ( 0.2605745 -0.8236090 -1.4728118), wk = 0.0037736 k( 173) = ( 0.2674318 -0.8452830 -1.5115701), wk = 0.0037736 k( 174) = ( 0.2742890 -0.8669569 -1.5503283), wk = 0.0037736 k( 175) = ( 0.2811462 -0.8886308 -1.5890865), wk = 0.0037736 k( 176) = ( 0.2880034 -0.9103047 -1.6278447), wk = 0.0037736 k( 177) = ( 0.2948607 -0.9319787 -1.6666029), wk = 0.0037736 k( 178) = ( 0.3017179 -0.9536526 -1.7053611), wk = 0.0037736 k( 179) = ( 0.3085751 -0.9753265 -1.7441193), wk = 0.0037736 k( 180) = ( 0.3154323 -0.9970004 -1.7828775), wk = 0.0037736 k( 181) = ( 0.3222896 -1.0186744 -1.8216357), wk = 0.0037736 k( 182) = ( 0.3291468 -1.0403483 -1.8603939), wk = 0.0037736 k( 183) = ( 0.3360040 -1.0620222 -1.8991522), wk = 0.0037736 k( 184) = ( 0.6639960 -0.9848129 -1.8538667), wk = 0.0037736 k( 185) = ( 0.6571628 -0.9405620 -1.8538667), wk = 0.0037736 k( 186) = ( 0.6503296 -0.8963110 -1.8538667), wk = 0.0037736 k( 187) = ( 0.6434965 -0.8520602 -1.8538667), wk = 0.0037736 k( 188) = ( 0.6366633 -0.8078092 -1.8538667), wk = 0.0037736 k( 189) = ( 0.6298301 -0.7635583 -1.8538667), wk = 0.0037736 k( 190) = ( 0.6229970 -0.7193074 -1.8538667), wk = 0.0037736 k( 191) = ( 0.6161638 -0.6750564 -1.8538667), wk = 0.0037736 k( 192) = ( 0.6093307 -0.6308055 -1.8538667), wk = 0.0037736 k( 193) = ( 0.6024975 -0.5865546 -1.8538667), wk = 0.0037736 k( 194) = ( 0.5956643 -0.5423036 -1.8538667), wk = 0.0037736 k( 195) = ( 0.5888312 -0.4980527 -1.8538667), wk = 0.0037736 k( 196) = ( 0.5819980 -0.4538018 -1.8538667), wk = 0.0037736 k( 197) = ( 0.5751648 -0.4095509 -1.8538667), wk = 0.0037736 k( 198) = ( 0.5683317 -0.3653000 -1.8538667), wk = 0.0037736 k( 199) = ( 0.5614985 -0.3210490 -1.8538667), wk = 0.0037736 k( 200) = ( 0.5546653 -0.2767981 -1.8538667), wk = 0.0037736 k( 201) = ( 0.5478322 -0.2325472 -1.8538667), wk = 0.0037736 k( 202) = ( 0.5409990 -0.1882963 -1.8538667), wk = 0.0037736 k( 203) = ( 0.5341658 -0.1440453 -1.8538667), wk = 0.0037736 k( 204) = ( 0.5273327 -0.0997944 -1.8538667), wk = 0.0037736 k( 205) = ( 0.5204995 -0.0555435 -1.8538667), wk = 0.0037736 k( 206) = ( 0.5136663 -0.0112925 -1.8538667), wk = 0.0037736 k( 207) = ( 0.5068332 0.0329583 -1.8538667), wk = 0.0037736 k( 208) = ( 0.5000000 0.0772093 -1.8538667), wk = 0.0037736 k( 209) = ( 0.5000000 0.0772093 -1.8538667), wk = 0.0037736 k( 210) = ( 0.5409990 0.0835403 -1.8425453), wk = 0.0037736 k( 211) = ( 0.5819980 0.0898713 -1.8312239), wk = 0.0037736 k( 212) = ( 0.6229970 0.0962023 -1.8199025), wk = 0.0037736 k( 213) = ( 0.6639960 0.1025333 -1.8085812), wk = 0.0037736 k( 214) = ( 0.6639960 0.1025333 -1.8085812), wk = 0.0037736 k( 215) = ( 0.6600913 0.1019304 -1.7644415), wk = 0.0037736 k( 216) = ( 0.6561866 0.1013274 -1.7203018), wk = 0.0037736 k( 217) = ( 0.6522820 0.1007245 -1.6761621), wk = 0.0037736 k( 218) = ( 0.6483773 0.1001215 -1.6320225), wk = 0.0037736 k( 219) = ( 0.6444726 0.0995186 -1.5878827), wk = 0.0037736 k( 220) = ( 0.6405680 0.0989156 -1.5437431), wk = 0.0037736 k( 221) = ( 0.6366633 0.0983127 -1.4996034), wk = 0.0037736 k( 222) = ( 0.6327586 0.0977097 -1.4554637), wk = 0.0037736 k( 223) = ( 0.6288540 0.0971068 -1.4113240), wk = 0.0037736 k( 224) = ( 0.6249493 0.0965038 -1.3671843), wk = 0.0037736 k( 225) = ( 0.6210446 0.0959008 -1.3230447), wk = 0.0037736 k( 226) = ( 0.6171400 0.0952979 -1.2789050), wk = 0.0037736 k( 227) = ( 0.6132353 0.0946949 -1.2347653), wk = 0.0037736 k( 228) = ( 0.6093307 0.0940920 -1.1906256), wk = 0.0037736 k( 229) = ( 0.6054260 0.0934890 -1.1464859), wk = 0.0037736 k( 230) = ( 0.6015213 0.0928861 -1.1023463), wk = 0.0037736 k( 231) = ( 0.5976167 0.0922831 -1.0582066), wk = 0.0037736 k( 232) = ( 0.5937120 0.0916802 -1.0140669), wk = 0.0037736 k( 233) = ( 0.5898073 0.0910772 -0.9699272), wk = 0.0037736 k( 234) = ( 0.5859027 0.0904743 -0.9257876), wk = 0.0037736 k( 235) = ( 0.5819980 0.0898713 -0.8816478), wk = 0.0037736 k( 236) = ( 0.5780933 0.0892684 -0.8375082), wk = 0.0037736 k( 237) = ( 0.5741887 0.0886654 -0.7933685), wk = 0.0037736 k( 238) = ( 0.5702840 0.0880625 -0.7492288), wk = 0.0037736 k( 239) = ( 0.5663793 0.0874595 -0.7050891), wk = 0.0037736 k( 240) = ( 0.5624747 0.0868565 -0.6609494), wk = 0.0037736 k( 241) = ( 0.5585700 0.0862536 -0.6168097), wk = 0.0037736 k( 242) = ( 0.5546653 0.0856506 -0.5726701), wk = 0.0037736 k( 243) = ( 0.5507607 0.0850477 -0.5285304), wk = 0.0037736 k( 244) = ( 0.5468560 0.0844447 -0.4843907), wk = 0.0037736 k( 245) = ( 0.5429513 0.0838418 -0.4402510), wk = 0.0037736 k( 246) = ( 0.5390467 0.0832388 -0.3961113), wk = 0.0037736 k( 247) = ( 0.5351420 0.0826359 -0.3519717), wk = 0.0037736 k( 248) = ( 0.5312373 0.0820329 -0.3078320), wk = 0.0037736 k( 249) = ( 0.5273327 0.0814300 -0.2636923), wk = 0.0037736 k( 250) = ( 0.5234280 0.0808270 -0.2195526), wk = 0.0037736 k( 251) = ( 0.5195233 0.0802241 -0.1754129), wk = 0.0037736 k( 252) = ( 0.5156187 0.0796211 -0.1312733), wk = 0.0037736 k( 253) = ( 0.5117140 0.0790182 -0.0871336), wk = 0.0037736 k( 254) = ( 0.5078093 0.0784152 -0.0429939), wk = 0.0037736 k( 255) = ( 0.5039047 0.0778123 0.0011458), wk = 0.0037736 k( 256) = ( 0.5000000 0.0772093 0.0452855), wk = 0.0037736 k( 257) = ( 0.5000000 -1.5803713 -0.9269333), wk = 0.0037736 k( 258) = ( 0.5409990 -1.5707202 -0.9212727), wk = 0.0037736 k( 259) = ( 0.5819980 -1.5610690 -0.9156120), wk = 0.0037736 k( 260) = ( 0.6229970 -1.5514178 -0.9099513), wk = 0.0037736 k( 261) = ( 0.6639960 -1.5417666 -0.9042906), wk = 0.0037736 k( 262) = ( 0.7049950 -1.5321155 -0.8986299), wk = 0.0037736 k( 263) = ( 0.7459940 -1.5224643 -0.8929692), wk = 0.0037736 k( 264) = ( 0.7869930 -1.5128132 -0.8873085), wk = 0.0037736 k( 265) = ( 0.8279920 -1.5031620 -0.8816478), wk = 0.0037736 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 2) = ( 0.0116279 -0.0000000 -0.0000000), wk = 0.0037736 k( 3) = ( 0.0232558 -0.0000000 -0.0000000), wk = 0.0037736 k( 4) = ( 0.0348837 0.0000000 -0.0000000), wk = 0.0037736 k( 5) = ( 0.0465116 0.0000000 -0.0000000), wk = 0.0037736 k( 6) = ( 0.0581395 -0.0000000 -0.0000000), wk = 0.0037736 k( 7) = ( 0.0697674 0.0000000 -0.0000000), wk = 0.0037736 k( 8) = ( 0.0813954 -0.0000000 -0.0000000), wk = 0.0037736 k( 9) = ( 0.0930233 0.0000000 -0.0000000), wk = 0.0037736 k( 10) = ( 0.1046512 -0.0000000 -0.0000000), wk = 0.0037736 k( 11) = ( 0.1162791 0.0000000 -0.0000000), wk = 0.0037736 k( 12) = ( 0.1279070 -0.0000000 -0.0000000), wk = 0.0037736 k( 13) = ( 0.1395349 0.0000000 -0.0000000), wk = 0.0037736 k( 14) = ( 0.1511628 0.0000000 -0.0000000), wk = 0.0037736 k( 15) = ( 0.1627907 -0.0000000 -0.0000000), wk = 0.0037736 k( 16) = ( 0.1744186 -0.0000000 -0.0000000), wk = 0.0037736 k( 17) = ( 0.1860465 0.0000000 0.0000000), wk = 0.0037736 k( 18) = ( 0.1976744 0.0000000 -0.0000000), wk = 0.0037736 k( 19) = ( 0.2093023 -0.0000000 -0.0000000), wk = 0.0037736 k( 20) = ( 0.2209302 -0.0000000 -0.0000000), wk = 0.0037736 k( 21) = ( 0.2325581 0.0000000 -0.0000000), wk = 0.0037736 k( 22) = ( 0.2441860 -0.0000000 -0.0000000), wk = 0.0037736 k( 23) = ( 0.2558140 0.0000000 -0.0000000), wk = 0.0037736 k( 24) = ( 0.2674419 0.0000000 0.0000000), wk = 0.0037736 k( 25) = ( 0.2790698 0.0000000 0.0000000), wk = 0.0037736 k( 26) = ( 0.2906977 0.0000000 -0.0000000), wk = 0.0037736 k( 27) = ( 0.3023256 0.0000000 -0.0000000), wk = 0.0037736 k( 28) = ( 0.3139535 -0.0000000 -0.0000000), wk = 0.0037736 k( 29) = ( 0.3255814 -0.0000000 -0.0000000), wk = 0.0037736 k( 30) = ( 0.3372093 0.0000000 -0.0000000), wk = 0.0037736 k( 31) = ( 0.3488372 0.0000000 -0.0000000), wk = 0.0037736 k( 32) = ( 0.3604651 0.0000000 -0.0000000), wk = 0.0037736 k( 33) = ( 0.3720930 0.0000000 0.0000000), wk = 0.0037736 k( 34) = ( 0.3837209 0.0000000 0.0000000), wk = 0.0037736 k( 35) = ( 0.3953488 0.0000000 -0.0000000), wk = 0.0037736 k( 36) = ( 0.4069767 -0.0000000 -0.0000000), wk = 0.0037736 k( 37) = ( 0.4186047 0.0000000 -0.0000000), wk = 0.0037736 k( 38) = ( 0.4302326 0.0000000 -0.0000000), wk = 0.0037736 k( 39) = ( 0.4418605 0.0000000 -0.0000000), wk = 0.0037736 k( 40) = ( 0.4534884 0.0000000 -0.0000000), wk = 0.0037736 k( 41) = ( 0.4651163 0.0000000 -0.0000000), wk = 0.0037736 k( 42) = ( 0.4767442 0.0000000 -0.0000000), wk = 0.0037736 k( 43) = ( 0.4883721 -0.0000000 -0.0000000), wk = 0.0037736 k( 44) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0037736 k( 45) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0037736 k( 46) = ( 0.5000000 0.0066157 -0.0066157), wk = 0.0037736 k( 47) = ( 0.5000000 0.0132314 -0.0132314), wk = 0.0037736 k( 48) = ( 0.5000000 0.0198471 -0.0198471), wk = 0.0037736 k( 49) = ( 0.5000000 0.0264628 -0.0264628), wk = 0.0037736 k( 50) = ( 0.5000000 0.0330785 -0.0330785), wk = 0.0037736 k( 51) = ( 0.5000000 0.0396942 -0.0396942), wk = 0.0037736 k( 52) = ( 0.5000000 0.0463099 -0.0463099), wk = 0.0037736 k( 53) = ( 0.5000000 0.0529255 -0.0529256), wk = 0.0037736 k( 54) = ( 0.5000000 0.0595412 -0.0595412), wk = 0.0037736 k( 55) = ( 0.5000000 0.0661569 -0.0661569), wk = 0.0037736 k( 56) = ( 0.5000000 0.0727726 -0.0727726), wk = 0.0037736 k( 57) = ( 0.5000000 0.0793883 -0.0793883), wk = 0.0037736 k( 58) = ( 0.5000000 0.0860040 -0.0860040), wk = 0.0037736 k( 59) = ( 0.5000000 0.0926197 -0.0926197), wk = 0.0037736 k( 60) = ( 0.5000000 0.0992354 -0.0992354), wk = 0.0037736 k( 61) = ( 0.5000000 0.1058511 -0.1058511), wk = 0.0037736 k( 62) = ( 0.5000000 0.1124668 -0.1124668), wk = 0.0037736 k( 63) = ( 0.5000000 0.1190825 -0.1190825), wk = 0.0037736 k( 64) = ( 0.5000000 0.1256982 -0.1256982), wk = 0.0037736 k( 65) = ( 0.5000000 0.1323139 -0.1323139), wk = 0.0037736 k( 66) = ( 0.5000000 0.1389296 -0.1389296), wk = 0.0037736 k( 67) = ( 0.5000000 0.1455453 -0.1455453), wk = 0.0037736 k( 68) = ( 0.5000000 0.1521609 -0.1521610), wk = 0.0037736 k( 69) = ( 0.5000000 0.1587767 -0.1587766), wk = 0.0037736 k( 70) = ( 0.5000000 0.1653923 -0.1653923), wk = 0.0037736 k( 71) = ( 0.5000000 0.1720080 -0.1720080), wk = 0.0037736 k( 72) = ( 0.8279920 0.5000000 0.1720080), wk = 0.0037736 k( 73) = ( 0.8211588 0.5000000 0.1788412), wk = 0.0037736 k( 74) = ( 0.8143256 0.5000000 0.1856744), wk = 0.0037736 k( 75) = ( 0.8074925 0.5000000 0.1925075), wk = 0.0037736 k( 76) = ( 0.8006593 0.5000000 0.1993407), wk = 0.0037736 k( 77) = ( 0.7938261 0.5000000 0.2061739), wk = 0.0037736 k( 78) = ( 0.7869930 0.5000000 0.2130070), wk = 0.0037736 k( 79) = ( 0.7801598 0.5000000 0.2198402), wk = 0.0037736 k( 80) = ( 0.7733266 0.5000000 0.2266734), wk = 0.0037736 k( 81) = ( 0.7664935 0.5000000 0.2335065), wk = 0.0037736 k( 82) = ( 0.7596603 0.5000000 0.2403397), wk = 0.0037736 k( 83) = ( 0.7528271 0.5000000 0.2471729), wk = 0.0037736 k( 84) = ( 0.7459940 0.5000000 0.2540060), wk = 0.0037736 k( 85) = ( 0.7391608 0.5000000 0.2608392), wk = 0.0037736 k( 86) = ( 0.7323276 0.5000000 0.2676724), wk = 0.0037736 k( 87) = ( 0.7254945 0.5000000 0.2745055), wk = 0.0037736 k( 88) = ( 0.7186613 0.5000000 0.2813387), wk = 0.0037736 k( 89) = ( 0.7118281 0.5000000 0.2881719), wk = 0.0037736 k( 90) = ( 0.7049950 0.5000000 0.2950050), wk = 0.0037736 k( 91) = ( 0.6981618 0.5000000 0.3018382), wk = 0.0037736 k( 92) = ( 0.6913286 0.5000000 0.3086714), wk = 0.0037736 k( 93) = ( 0.6844955 0.5000000 0.3155045), wk = 0.0037736 k( 94) = ( 0.6776623 0.5000000 0.3223377), wk = 0.0037736 k( 95) = ( 0.6708291 0.5000000 0.3291709), wk = 0.0037736 k( 96) = ( 0.6639960 0.5000000 0.3360040), wk = 0.0037736 k( 97) = ( 0.6571628 0.5000000 0.3428372), wk = 0.0037736 k( 98) = ( 0.6503296 0.5000000 0.3496704), wk = 0.0037736 k( 99) = ( 0.6434965 0.5000000 0.3565035), wk = 0.0037736 k( 100) = ( 0.6366633 0.5000000 0.3633367), wk = 0.0037736 k( 101) = ( 0.6298301 0.5000000 0.3701698), wk = 0.0037736 k( 102) = ( 0.6229970 0.5000000 0.3770030), wk = 0.0037736 k( 103) = ( 0.6161638 0.5000000 0.3838362), wk = 0.0037736 k( 104) = ( 0.6093307 0.5000000 0.3906693), wk = 0.0037736 k( 105) = ( 0.6024975 0.5000000 0.3975025), wk = 0.0037736 k( 106) = ( 0.5956643 0.5000000 0.4043357), wk = 0.0037736 k( 107) = ( 0.5888312 0.5000000 0.4111688), wk = 0.0037736 k( 108) = ( 0.5819980 0.5000000 0.4180020), wk = 0.0037736 k( 109) = ( 0.5751648 0.5000000 0.4248352), wk = 0.0037736 k( 110) = ( 0.5683317 0.5000000 0.4316683), wk = 0.0037736 k( 111) = ( 0.5614985 0.5000000 0.4385015), wk = 0.0037736 k( 112) = ( 0.5546653 0.5000000 0.4453347), wk = 0.0037736 k( 113) = ( 0.5478322 0.5000000 0.4521678), wk = 0.0037736 k( 114) = ( 0.5409990 0.5000000 0.4590010), wk = 0.0037736 k( 115) = ( 0.5341658 0.5000000 0.4658342), wk = 0.0037736 k( 116) = ( 0.5273327 0.5000000 0.4726673), wk = 0.0037736 k( 117) = ( 0.5204995 0.5000000 0.4795005), wk = 0.0037736 k( 118) = ( 0.5136663 0.5000000 0.4863337), wk = 0.0037736 k( 119) = ( 0.5068332 0.5000000 0.4931668), wk = 0.0037736 k( 120) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037736 k( 121) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037736 k( 122) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0037736 k( 123) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0037736 k( 124) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0037736 k( 125) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0037736 k( 126) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0037736 k( 127) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0037736 k( 128) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0037736 k( 129) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0037736 k( 130) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0037736 k( 131) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0037736 k( 132) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0037736 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 135) = ( 0.0068572 0.0000000 -0.0068572), wk = 0.0037736 k( 136) = ( 0.0137144 -0.0000000 -0.0137145), wk = 0.0037736 k( 137) = ( 0.0205717 -0.0000000 -0.0205717), wk = 0.0037736 k( 138) = ( 0.0274289 -0.0000000 -0.0274289), wk = 0.0037736 k( 139) = ( 0.0342861 0.0000000 -0.0342861), wk = 0.0037736 k( 140) = ( 0.0411434 0.0000000 -0.0411434), wk = 0.0037736 k( 141) = ( 0.0480006 0.0000000 -0.0480006), wk = 0.0037736 k( 142) = ( 0.0548578 -0.0000000 -0.0548578), wk = 0.0037736 k( 143) = ( 0.0617150 0.0000000 -0.0617150), wk = 0.0037736 k( 144) = ( 0.0685723 -0.0000000 -0.0685723), wk = 0.0037736 k( 145) = ( 0.0754295 0.0000000 -0.0754295), wk = 0.0037736 k( 146) = ( 0.0822867 0.0000000 -0.0822867), wk = 0.0037736 k( 147) = ( 0.0891439 -0.0000000 -0.0891439), wk = 0.0037736 k( 148) = ( 0.0960011 -0.0000000 -0.0960011), wk = 0.0037736 k( 149) = ( 0.1028584 -0.0000000 -0.1028584), wk = 0.0037736 k( 150) = ( 0.1097156 -0.0000000 -0.1097156), wk = 0.0037736 k( 151) = ( 0.1165728 -0.0000000 -0.1165728), wk = 0.0037736 k( 152) = ( 0.1234300 0.0000000 -0.1234300), wk = 0.0037736 k( 153) = ( 0.1302873 -0.0000000 -0.1302873), wk = 0.0037736 k( 154) = ( 0.1371445 -0.0000000 -0.1371445), wk = 0.0037736 k( 155) = ( 0.1440017 0.0000000 -0.1440017), wk = 0.0037736 k( 156) = ( 0.1508589 0.0000000 -0.1508589), wk = 0.0037736 k( 157) = ( 0.1577162 0.0000000 -0.1577162), wk = 0.0037736 k( 158) = ( 0.1645734 0.0000000 -0.1645734), wk = 0.0037736 k( 159) = ( 0.1714306 0.0000000 -0.1714306), wk = 0.0037736 k( 160) = ( 0.1782878 0.0000000 -0.1782879), wk = 0.0037736 k( 161) = ( 0.1851451 -0.0000000 -0.1851451), wk = 0.0037736 k( 162) = ( 0.1920023 -0.0000000 -0.1920023), wk = 0.0037736 k( 163) = ( 0.1988595 0.0000000 -0.1988595), wk = 0.0037736 k( 164) = ( 0.2057168 0.0000000 -0.2057168), wk = 0.0037736 k( 165) = ( 0.2125740 -0.0000000 -0.2125740), wk = 0.0037736 k( 166) = ( 0.2194312 -0.0000000 -0.2194312), wk = 0.0037736 k( 167) = ( 0.2262884 -0.0000000 -0.2262884), wk = 0.0037736 k( 168) = ( 0.2331456 -0.0000000 -0.2331456), wk = 0.0037736 k( 169) = ( 0.2400029 0.0000000 -0.2400029), wk = 0.0037736 k( 170) = ( 0.2468601 0.0000000 -0.2468601), wk = 0.0037736 k( 171) = ( 0.2537173 0.0000000 -0.2537173), wk = 0.0037736 k( 172) = ( 0.2605745 -0.0000000 -0.2605745), wk = 0.0037736 k( 173) = ( 0.2674318 -0.0000000 -0.2674318), wk = 0.0037736 k( 174) = ( 0.2742890 -0.0000000 -0.2742890), wk = 0.0037736 k( 175) = ( 0.2811462 0.0000000 -0.2811462), wk = 0.0037736 k( 176) = ( 0.2880034 0.0000000 -0.2880034), wk = 0.0037736 k( 177) = ( 0.2948607 -0.0000000 -0.2948607), wk = 0.0037736 k( 178) = ( 0.3017179 -0.0000000 -0.3017179), wk = 0.0037736 k( 179) = ( 0.3085751 0.0000000 -0.3085751), wk = 0.0037736 k( 180) = ( 0.3154323 0.0000000 -0.3154323), wk = 0.0037736 k( 181) = ( 0.3222896 0.0000000 -0.3222896), wk = 0.0037736 k( 182) = ( 0.3291468 -0.0000000 -0.3291468), wk = 0.0037736 k( 183) = ( 0.3360040 -0.0000000 -0.3360040), wk = 0.0037736 k( 184) = ( 0.6639960 0.3360040 -0.0000000), wk = 0.0037736 k( 185) = ( 0.6571628 0.3428372 -0.0000000), wk = 0.0037736 k( 186) = ( 0.6503296 0.3496704 0.0000000), wk = 0.0037736 k( 187) = ( 0.6434965 0.3565035 -0.0000000), wk = 0.0037736 k( 188) = ( 0.6366633 0.3633367 -0.0000000), wk = 0.0037736 k( 189) = ( 0.6298301 0.3701699 -0.0000000), wk = 0.0037736 k( 190) = ( 0.6229970 0.3770030 -0.0000000), wk = 0.0037736 k( 191) = ( 0.6161638 0.3838362 -0.0000000), wk = 0.0037736 k( 192) = ( 0.6093307 0.3906693 -0.0000000), wk = 0.0037736 k( 193) = ( 0.6024975 0.3975025 -0.0000000), wk = 0.0037736 k( 194) = ( 0.5956643 0.4043357 -0.0000000), wk = 0.0037736 k( 195) = ( 0.5888312 0.4111688 -0.0000000), wk = 0.0037736 k( 196) = ( 0.5819980 0.4180020 -0.0000000), wk = 0.0037736 k( 197) = ( 0.5751648 0.4248352 -0.0000000), wk = 0.0037736 k( 198) = ( 0.5683317 0.4316683 -0.0000000), wk = 0.0037736 k( 199) = ( 0.5614985 0.4385015 -0.0000000), wk = 0.0037736 k( 200) = ( 0.5546653 0.4453347 -0.0000000), wk = 0.0037736 k( 201) = ( 0.5478322 0.4521678 -0.0000000), wk = 0.0037736 k( 202) = ( 0.5409990 0.4590010 -0.0000000), wk = 0.0037736 k( 203) = ( 0.5341658 0.4658342 -0.0000000), wk = 0.0037736 k( 204) = ( 0.5273327 0.4726673 -0.0000000), wk = 0.0037736 k( 205) = ( 0.5204995 0.4795005 -0.0000000), wk = 0.0037736 k( 206) = ( 0.5136663 0.4863337 0.0000000), wk = 0.0037736 k( 207) = ( 0.5068332 0.4931668 0.0000000), wk = 0.0037736 k( 208) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0037736 k( 209) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0037736 k( 210) = ( 0.5409990 0.5409990 0.0430020), wk = 0.0037736 k( 211) = ( 0.5819980 0.5819980 0.0860040), wk = 0.0037736 k( 212) = ( 0.6229970 0.6229970 0.1290060), wk = 0.0037736 k( 213) = ( 0.6639960 0.6639960 0.1720080), wk = 0.0037736 k( 214) = ( 0.6639960 0.6639960 0.1720080), wk = 0.0037736 k( 215) = ( 0.6600913 0.6600913 0.1798174), wk = 0.0037736 k( 216) = ( 0.6561866 0.6561866 0.1876267), wk = 0.0037736 k( 217) = ( 0.6522820 0.6522820 0.1954360), wk = 0.0037736 k( 218) = ( 0.6483773 0.6483773 0.2032454), wk = 0.0037736 k( 219) = ( 0.6444726 0.6444726 0.2110547), wk = 0.0037736 k( 220) = ( 0.6405680 0.6405680 0.2188640), wk = 0.0037736 k( 221) = ( 0.6366633 0.6366633 0.2266734), wk = 0.0037736 k( 222) = ( 0.6327586 0.6327586 0.2344827), wk = 0.0037736 k( 223) = ( 0.6288540 0.6288540 0.2422920), wk = 0.0037736 k( 224) = ( 0.6249493 0.6249493 0.2501014), wk = 0.0037736 k( 225) = ( 0.6210446 0.6210446 0.2579107), wk = 0.0037736 k( 226) = ( 0.6171400 0.6171400 0.2657200), wk = 0.0037736 k( 227) = ( 0.6132353 0.6132353 0.2735294), wk = 0.0037736 k( 228) = ( 0.6093307 0.6093307 0.2813387), wk = 0.0037736 k( 229) = ( 0.6054260 0.6054260 0.2891480), wk = 0.0037736 k( 230) = ( 0.6015213 0.6015213 0.2969573), wk = 0.0037736 k( 231) = ( 0.5976167 0.5976167 0.3047667), wk = 0.0037736 k( 232) = ( 0.5937120 0.5937120 0.3125760), wk = 0.0037736 k( 233) = ( 0.5898073 0.5898073 0.3203854), wk = 0.0037736 k( 234) = ( 0.5859027 0.5859027 0.3281947), wk = 0.0037736 k( 235) = ( 0.5819980 0.5819980 0.3360040), wk = 0.0037736 k( 236) = ( 0.5780933 0.5780933 0.3438133), wk = 0.0037736 k( 237) = ( 0.5741887 0.5741887 0.3516227), wk = 0.0037736 k( 238) = ( 0.5702840 0.5702840 0.3594320), wk = 0.0037736 k( 239) = ( 0.5663793 0.5663793 0.3672413), wk = 0.0037736 k( 240) = ( 0.5624747 0.5624747 0.3750507), wk = 0.0037736 k( 241) = ( 0.5585700 0.5585700 0.3828600), wk = 0.0037736 k( 242) = ( 0.5546653 0.5546653 0.3906693), wk = 0.0037736 k( 243) = ( 0.5507607 0.5507607 0.3984787), wk = 0.0037736 k( 244) = ( 0.5468560 0.5468560 0.4062880), wk = 0.0037736 k( 245) = ( 0.5429513 0.5429513 0.4140973), wk = 0.0037736 k( 246) = ( 0.5390467 0.5390467 0.4219067), wk = 0.0037736 k( 247) = ( 0.5351420 0.5351420 0.4297160), wk = 0.0037736 k( 248) = ( 0.5312373 0.5312373 0.4375253), wk = 0.0037736 k( 249) = ( 0.5273327 0.5273327 0.4453347), wk = 0.0037736 k( 250) = ( 0.5234280 0.5234280 0.4531440), wk = 0.0037736 k( 251) = ( 0.5195233 0.5195233 0.4609533), wk = 0.0037736 k( 252) = ( 0.5156187 0.5156187 0.4687627), wk = 0.0037736 k( 253) = ( 0.5117140 0.5117140 0.4765720), wk = 0.0037736 k( 254) = ( 0.5078093 0.5078093 0.4843813), wk = 0.0037736 k( 255) = ( 0.5039047 0.5039047 0.4921907), wk = 0.0037736 k( 256) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037736 k( 257) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0037736 k( 258) = ( 0.5409990 0.0420005 0.0420005), wk = 0.0037736 k( 259) = ( 0.5819980 0.0840010 0.0840010), wk = 0.0037736 k( 260) = ( 0.6229970 0.1260015 0.1260015), wk = 0.0037736 k( 261) = ( 0.6639960 0.1680020 0.1680020), wk = 0.0037736 k( 262) = ( 0.7049950 0.2100025 0.2100025), wk = 0.0037736 k( 263) = ( 0.7459940 0.2520030 0.2520030), wk = 0.0037736 k( 264) = ( 0.7869930 0.2940035 0.2940035), wk = 0.0037736 k( 265) = ( 0.8279920 0.3360040 0.3360040), wk = 0.0037736 Dense grid: 100849 G-vectors FFT dimensions: ( 135, 135, 135) Smooth grid: 67681 G-vectors FFT dimensions: ( 120, 120, 120) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.22 Mb ( 248, 58) NL pseudopotentials 0.45 Mb ( 124, 238) Each V/rho on FFT grid 0.56 Mb ( 36450) Each G-vector array 0.01 Mb ( 1402) G-vector shells 0.01 Mb ( 1284) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.88 Mb ( 248, 232) Each subspace H/S matrix 0.02 Mb ( 38, 38) Each matrix 0.42 Mb ( 238, 2, 58) The potential is recalculated from file : ./SnxSbTe2x2.save/charge-density.dat Starting wfc are 66 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 8.0 secs Computing kpt #: 2 total cpu time spent up to now is 13.2 secs Computing kpt #: 3 total cpu time spent up to now is 19.1 secs Computing kpt #: 4 total cpu time spent up to now is 24.4 secs Computing kpt #: 5 total cpu time spent up to now is 29.8 secs Computing kpt #: 6 total cpu time spent up to now is 35.8 secs Computing kpt #: 7 total cpu time spent up to now is 41.5 secs Computing kpt #: 8 total cpu time spent up to now is 47.1 secs Computing kpt #: 9 total cpu time spent up to now is 51.1 secs Computing kpt #: 10 total cpu time spent up to now is 55.2 secs Computing kpt #: 11 total cpu time spent up to now is 58.3 secs Computing kpt #: 12 total cpu time spent up to now is 61.3 secs Computing kpt #: 13 total cpu time spent up to now is 65.1 secs Computing kpt #: 14 total cpu time spent up to now is 69.4 secs Computing kpt #: 15 total cpu time spent up to now is 74.4 secs Computing kpt #: 16 total cpu time spent up to now is 80.7 secs Computing kpt #: 17 total cpu time spent up to now is 85.4 secs Computing kpt #: 18 total cpu time spent up to now is 89.5 secs Computing kpt #: 19 total cpu time spent up to now is 93.1 secs Computing kpt #: 20 total cpu time spent up to now is 96.5 secs Computing kpt #: 21 total cpu time spent up to now is 100.0 secs Computing kpt #: 22 total cpu time spent up to now is 103.5 secs Computing kpt #: 23 total cpu time spent up to now is 106.6 secs Computing kpt #: 24 total cpu time spent up to now is 110.1 secs Computing kpt #: 25 total cpu time spent up to now is 113.5 secs Computing kpt #: 26 total cpu time spent up to now is 116.8 secs Computing kpt #: 27 total cpu time spent up to now is 119.9 secs Computing kpt #: 28 total cpu time spent up to now is 122.9 secs Computing kpt #: 29 total cpu time spent up to now is 126.2 secs Computing kpt #: 30 total cpu time spent up to now is 129.5 secs Computing kpt #: 31 total cpu time spent up to now is 132.5 secs Computing kpt #: 32 total cpu time spent up to now is 135.4 secs Computing kpt #: 33 total cpu time spent up to now is 138.6 secs Computing kpt #: 34 total cpu time spent up to now is 141.6 secs Computing kpt #: 35 total cpu time spent up to now is 144.7 secs Computing kpt #: 36 total cpu time spent up to now is 147.8 secs Computing kpt #: 37 total cpu time spent up to now is 151.3 secs Computing kpt #: 38 total cpu time spent up to now is 154.4 secs Computing kpt #: 39 total cpu time spent up to now is 157.3 secs Computing kpt #: 40 total cpu time spent up to now is 160.3 secs Computing kpt #: 41 total cpu time spent up to now is 163.5 secs Computing kpt #: 42 total cpu time spent up to now is 166.7 secs Computing kpt #: 43 total cpu time spent up to now is 169.8 secs Computing kpt #: 44 total cpu time spent up to now is 173.2 secs Computing kpt #: 45 total cpu time spent up to now is 176.7 secs Computing kpt #: 46 total cpu time spent up to now is 179.9 secs Computing kpt #: 47 total cpu time spent up to now is 182.9 secs Computing kpt #: 48 total cpu time spent up to now is 185.9 secs Computing kpt #: 49 total cpu time spent up to now is 188.8 secs Computing kpt #: 50 total cpu time spent up to now is 191.8 secs Computing kpt #: 51 total cpu time spent up to now is 194.8 secs Computing kpt #: 52 total cpu time spent up to now is 197.9 secs Computing kpt #: 53 total cpu time spent up to now is 201.2 secs Computing kpt #: 54 total cpu time spent up to now is 204.6 secs Computing kpt #: 55 total cpu time spent up to now is 208.1 secs Computing kpt #: 56 total cpu time spent up to now is 212.0 secs Computing kpt #: 57 total cpu time spent up to now is 216.3 secs Computing kpt #: 58 total cpu time spent up to now is 220.4 secs Computing kpt #: 59 total cpu time spent up to now is 224.2 secs Computing kpt #: 60 total cpu time spent up to now is 228.0 secs Computing kpt #: 61 total cpu time spent up to now is 231.8 secs Computing kpt #: 62 total cpu time spent up to now is 235.4 secs Computing kpt #: 63 total cpu time spent up to now is 239.4 secs Computing kpt #: 64 total cpu time spent up to now is 243.3 secs Computing kpt #: 65 total cpu time spent up to now is 247.2 secs Computing kpt #: 66 total cpu time spent up to now is 250.5 secs Computing kpt #: 67 total cpu time spent up to now is 254.2 secs Computing kpt #: 68 total cpu time spent up to now is 257.7 secs Computing kpt #: 69 total cpu time spent up to now is 261.1 secs Computing kpt #: 70 total cpu time spent up to now is 265.0 secs Computing kpt #: 71 total cpu time spent up to now is 268.5 secs Computing kpt #: 72 total cpu time spent up to now is 271.8 secs Computing kpt #: 73 total cpu time spent up to now is 275.1 secs Computing kpt #: 74 total cpu time spent up to now is 278.7 secs Computing kpt #: 75 total cpu time spent up to now is 282.4 secs Computing kpt #: 76 total cpu time spent up to now is 286.1 secs Computing kpt #: 77 total cpu time spent up to now is 290.2 secs Computing kpt #: 78 total cpu time spent up to now is 294.7 secs Computing kpt #: 79 total cpu time spent up to now is 299.5 secs Computing kpt #: 80 total cpu time spent up to now is 304.4 secs Computing kpt #: 81 total cpu time spent up to now is 309.3 secs Computing kpt #: 82 total cpu time spent up to now is 313.8 secs Computing kpt #: 83 total cpu time spent up to now is 317.9 secs Computing kpt #: 84 total cpu time spent up to now is 322.8 secs Computing kpt #: 85 total cpu time spent up to now is 326.6 secs Computing kpt #: 86 total cpu time spent up to now is 329.9 secs Computing kpt #: 87 total cpu time spent up to now is 333.6 secs Computing kpt #: 88 total cpu time spent up to now is 338.4 secs Computing kpt #: 89 total cpu time spent up to now is 342.2 secs Computing kpt #: 90 total cpu time spent up to now is 346.0 secs Computing kpt #: 91 total cpu time spent up to now is 349.2 secs Computing kpt #: 92 total cpu time spent up to now is 352.4 secs Computing kpt #: 93 total cpu time spent up to now is 355.3 secs Computing kpt #: 94 total cpu time spent up to now is 358.3 secs Computing kpt #: 95 total cpu time spent up to now is 361.2 secs Computing kpt #: 96 total cpu time spent up to now is 364.0 secs Computing kpt #: 97 total cpu time spent up to now is 366.7 secs Computing kpt #: 98 total cpu time spent up to now is 369.4 secs Computing kpt #: 99 total cpu time spent up to now is 372.3 secs Computing kpt #: 100 total cpu time spent up to now is 375.3 secs Computing kpt #: 101 total cpu time spent up to now is 378.4 secs Computing kpt #: 102 total cpu time spent up to now is 381.2 secs Computing kpt #: 103 total cpu time spent up to now is 384.4 secs Computing kpt #: 104 total cpu time spent up to now is 387.6 secs Computing kpt #: 105 total cpu time spent up to now is 391.8 secs Computing kpt #: 106 total cpu time spent up to now is 396.3 secs Computing kpt #: 107 total cpu time spent up to now is 400.9 secs Computing kpt #: 108 total cpu time spent up to now is 405.8 secs Computing kpt #: 109 total cpu time spent up to now is 410.2 secs Computing kpt #: 110 total cpu time spent up to now is 414.6 secs Computing kpt #: 111 total cpu time spent up to now is 419.2 secs Computing kpt #: 112 total cpu time spent up to now is 423.1 secs Computing kpt #: 113 total cpu time spent up to now is 426.8 secs Computing kpt #: 114 total cpu time spent up to now is 430.4 secs Computing kpt #: 115 total cpu time spent up to now is 433.8 secs Computing kpt #: 116 total cpu time spent up to now is 437.6 secs Computing kpt #: 117 total cpu time spent up to now is 441.6 secs Computing kpt #: 118 total cpu time spent up to now is 445.7 secs Computing kpt #: 119 total cpu time spent up to now is 449.4 secs Computing kpt #: 120 total cpu time spent up to now is 452.2 secs Computing kpt #: 121 total cpu time spent up to now is 455.1 secs Computing kpt #: 122 total cpu time spent up to now is 458.0 secs Computing kpt #: 123 total cpu time spent up to now is 460.9 secs Computing kpt #: 124 total cpu time spent up to now is 463.9 secs Computing kpt #: 125 total cpu time spent up to now is 466.8 secs Computing kpt #: 126 total cpu time spent up to now is 469.6 secs Computing kpt #: 127 total cpu time spent up to now is 472.4 secs Computing kpt #: 128 total cpu time spent up to now is 475.4 secs Computing kpt #: 129 total cpu time spent up to now is 478.3 secs Computing kpt #: 130 total cpu time spent up to now is 481.5 secs Computing kpt #: 131 total cpu time spent up to now is 484.4 secs Computing kpt #: 132 total cpu time spent up to now is 487.7 secs Computing kpt #: 133 total cpu time spent up to now is 491.0 secs Computing kpt #: 134 total cpu time spent up to now is 494.3 secs Computing kpt #: 135 total cpu time spent up to now is 499.2 secs Computing kpt #: 136 total cpu time spent up to now is 504.4 secs Computing kpt #: 137 total cpu time spent up to now is 510.0 secs Computing kpt #: 138 total cpu time spent up to now is 514.5 secs Computing kpt #: 139 total cpu time spent up to now is 518.9 secs Computing kpt #: 140 total cpu time spent up to now is 523.3 secs Computing kpt #: 141 total cpu time spent up to now is 527.0 secs Computing kpt #: 142 total cpu time spent up to now is 530.7 secs Computing kpt #: 143 total cpu time spent up to now is 533.6 secs Computing kpt #: 144 total cpu time spent up to now is 537.0 secs Computing kpt #: 145 total cpu time spent up to now is 540.7 secs Computing kpt #: 146 total cpu time spent up to now is 544.6 secs Computing kpt #: 147 total cpu time spent up to now is 548.7 secs Computing kpt #: 148 total cpu time spent up to now is 552.9 secs Computing kpt #: 149 total cpu time spent up to now is 556.6 secs Computing kpt #: 150 total cpu time spent up to now is 560.2 secs Computing kpt #: 151 total cpu time spent up to now is 563.9 secs Computing kpt #: 152 total cpu time spent up to now is 568.1 secs Computing kpt #: 153 total cpu time spent up to now is 571.7 secs Computing kpt #: 154 total cpu time spent up to now is 574.8 secs Computing kpt #: 155 total cpu time spent up to now is 577.7 secs Computing kpt #: 156 total cpu time spent up to now is 580.4 secs Computing kpt #: 157 total cpu time spent up to now is 583.1 secs Computing kpt #: 158 total cpu time spent up to now is 585.8 secs Computing kpt #: 159 total cpu time spent up to now is 589.0 secs Computing kpt #: 160 total cpu time spent up to now is 591.8 secs Computing kpt #: 161 total cpu time spent up to now is 594.6 secs Computing kpt #: 162 total cpu time spent up to now is 597.3 secs Computing kpt #: 163 total cpu time spent up to now is 599.9 secs Computing kpt #: 164 total cpu time spent up to now is 602.6 secs Computing kpt #: 165 total cpu time spent up to now is 605.3 secs Computing kpt #: 166 total cpu time spent up to now is 608.2 secs Computing kpt #: 167 total cpu time spent up to now is 611.1 secs Computing kpt #: 168 total cpu time spent up to now is 614.8 secs Computing kpt #: 169 total cpu time spent up to now is 618.2 secs Computing kpt #: 170 total cpu time spent up to now is 621.7 secs Computing kpt #: 171 total cpu time spent up to now is 624.7 secs Computing kpt #: 172 total cpu time spent up to now is 627.8 secs Computing kpt #: 173 total cpu time spent up to now is 631.1 secs Computing kpt #: 174 total cpu time spent up to now is 634.1 secs Computing kpt #: 175 total cpu time spent up to now is 637.2 secs Computing kpt #: 176 total cpu time spent up to now is 640.0 secs Computing kpt #: 177 total cpu time spent up to now is 643.1 secs Computing kpt #: 178 total cpu time spent up to now is 645.7 secs Computing kpt #: 179 total cpu time spent up to now is 648.3 secs Computing kpt #: 180 total cpu time spent up to now is 651.0 secs Computing kpt #: 181 total cpu time spent up to now is 654.1 secs Computing kpt #: 182 total cpu time spent up to now is 656.7 secs Computing kpt #: 183 total cpu time spent up to now is 659.4 secs Computing kpt #: 184 total cpu time spent up to now is 661.9 secs Computing kpt #: 185 total cpu time spent up to now is 664.5 secs Computing kpt #: 186 total cpu time spent up to now is 667.1 secs Computing kpt #: 187 total cpu time spent up to now is 669.7 secs Computing kpt #: 188 total cpu time spent up to now is 672.4 secs Computing kpt #: 189 total cpu time spent up to now is 675.2 secs Computing kpt #: 190 total cpu time spent up to now is 677.9 secs Computing kpt #: 191 total cpu time spent up to now is 680.7 secs Computing kpt #: 192 total cpu time spent up to now is 683.5 secs Computing kpt #: 193 total cpu time spent up to now is 686.1 secs Computing kpt #: 194 total cpu time spent up to now is 688.9 secs Computing kpt #: 195 total cpu time spent up to now is 691.8 secs Computing kpt #: 196 total cpu time spent up to now is 694.7 secs Computing kpt #: 197 total cpu time spent up to now is 697.7 secs Computing kpt #: 198 total cpu time spent up to now is 700.7 secs Computing kpt #: 199 total cpu time spent up to now is 703.7 secs Computing kpt #: 200 total cpu time spent up to now is 706.7 secs Computing kpt #: 201 total cpu time spent up to now is 709.5 secs Computing kpt #: 202 total cpu time spent up to now is 712.3 secs Computing kpt #: 203 total cpu time spent up to now is 715.1 secs Computing kpt #: 204 total cpu time spent up to now is 717.8 secs Computing kpt #: 205 total cpu time spent up to now is 720.5 secs Computing kpt #: 206 total cpu time spent up to now is 723.6 secs Computing kpt #: 207 total cpu time spent up to now is 726.5 secs Computing kpt #: 208 total cpu time spent up to now is 729.4 secs Computing kpt #: 209 total cpu time spent up to now is 732.2 secs Computing kpt #: 210 total cpu time spent up to now is 735.0 secs Computing kpt #: 211 total cpu time spent up to now is 738.4 secs Computing kpt #: 212 total cpu time spent up to now is 741.3 secs Computing kpt #: 213 total cpu time spent up to now is 744.4 secs Computing kpt #: 214 total cpu time spent up to now is 747.2 secs Computing kpt #: 215 total cpu time spent up to now is 750.3 secs Computing kpt #: 216 total cpu time spent up to now is 753.3 secs Computing kpt #: 217 total cpu time spent up to now is 756.2 secs Computing kpt #: 218 total cpu time spent up to now is 759.6 secs Computing kpt #: 219 total cpu time spent up to now is 762.8 secs Computing kpt #: 220 total cpu time spent up to now is 766.0 secs Computing kpt #: 221 total cpu time spent up to now is 769.6 secs Computing kpt #: 222 total cpu time spent up to now is 773.0 secs Computing kpt #: 223 total cpu time spent up to now is 776.7 secs Computing kpt #: 224 total cpu time spent up to now is 780.0 secs Computing kpt #: 225 total cpu time spent up to now is 783.2 secs Computing kpt #: 226 total cpu time spent up to now is 786.2 secs Computing kpt #: 227 total cpu time spent up to now is 789.1 secs Computing kpt #: 228 total cpu time spent up to now is 791.9 secs Computing kpt #: 229 total cpu time spent up to now is 794.7 secs Computing kpt #: 230 total cpu time spent up to now is 798.0 secs Computing kpt #: 231 total cpu time spent up to now is 800.9 secs Computing kpt #: 232 total cpu time spent up to now is 803.8 secs Computing kpt #: 233 total cpu time spent up to now is 806.8 secs Computing kpt #: 234 total cpu time spent up to now is 809.6 secs Computing kpt #: 235 total cpu time spent up to now is 812.5 secs Computing kpt #: 236 total cpu time spent up to now is 815.3 secs Computing kpt #: 237 total cpu time spent up to now is 818.3 secs Computing kpt #: 238 total cpu time spent up to now is 821.4 secs Computing kpt #: 239 total cpu time spent up to now is 825.7 secs Computing kpt #: 240 total cpu time spent up to now is 830.6 secs Computing kpt #: 241 total cpu time spent up to now is 835.5 secs Computing kpt #: 242 total cpu time spent up to now is 839.5 secs Computing kpt #: 243 total cpu time spent up to now is 842.8 secs Computing kpt #: 244 total cpu time spent up to now is 846.4 secs Computing kpt #: 245 total cpu time spent up to now is 849.9 secs Computing kpt #: 246 total cpu time spent up to now is 853.6 secs Computing kpt #: 247 total cpu time spent up to now is 857.3 secs Computing kpt #: 248 total cpu time spent up to now is 861.8 secs Computing kpt #: 249 total cpu time spent up to now is 866.3 secs Computing kpt #: 250 total cpu time spent up to now is 869.8 secs Computing kpt #: 251 total cpu time spent up to now is 873.5 secs Computing kpt #: 252 total cpu time spent up to now is 877.0 secs Computing kpt #: 253 total cpu time spent up to now is 880.8 secs Computing kpt #: 254 total cpu time spent up to now is 884.8 secs Computing kpt #: 255 total cpu time spent up to now is 888.4 secs Computing kpt #: 256 total cpu time spent up to now is 891.4 secs Computing kpt #: 257 total cpu time spent up to now is 894.3 secs Computing kpt #: 258 total cpu time spent up to now is 897.2 secs Computing kpt #: 259 total cpu time spent up to now is 900.3 secs Computing kpt #: 260 total cpu time spent up to now is 903.3 secs Computing kpt #: 261 total cpu time spent up to now is 906.2 secs Computing kpt #: 262 total cpu time spent up to now is 909.2 secs Computing kpt #: 263 total cpu time spent up to now is 912.0 secs Computing kpt #: 264 total cpu time spent up to now is 914.8 secs Computing kpt #: 265 total cpu time spent up to now is 917.6 secs ethr = 2.08E-08, avg # of iterations = 23.3 total cpu time spent up to now is 917.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8391 PWs) bands (ev): -15.4238 -15.4238 -15.4145 -15.4145 -14.3896 -14.3896 -14.3791 -14.3791 -14.3769 -14.3769 -6.7891 -6.7891 -5.3030 -5.3030 -5.2627 -5.2627 -3.9087 -3.9087 -2.3370 -2.3370 -0.7152 -0.7152 0.4537 0.4537 3.6695 3.6695 4.1540 4.1540 4.4316 4.4316 4.5395 4.5395 5.1562 5.1562 5.2017 5.2017 5.4361 5.4361 5.5750 5.5750 5.8288 5.8288 6.1663 6.1663 6.2533 6.2533 6.4673 6.4673 7.0941 7.0941 7.5179 7.5179 7.7111 7.7111 8.2469 8.2469 8.3009 8.3009 k = 0.0116-0.0368-0.0216 ( 8414 PWs) bands (ev): -15.4238 -15.4238 -15.4145 -15.4145 -14.3896 -14.3896 -14.3792 -14.3792 -14.3769 -14.3769 -6.7879 -6.7879 -5.3022 -5.3022 -5.2614 -5.2614 -3.9082 -3.9082 -2.3362 -2.3362 -0.7171 -0.7171 0.4533 0.4533 3.6631 3.6631 4.1406 4.1406 4.4372 4.4372 4.5383 4.5383 5.1607 5.1607 5.1921 5.1921 5.4207 5.4207 5.5792 5.5792 5.8216 5.8216 6.1395 6.1395 6.2688 6.2688 6.5035 6.5035 7.0892 7.0892 7.4896 7.4896 7.7230 7.7230 8.1932 8.1932 8.3168 8.3168 k = 0.0233-0.0735-0.0431 ( 8416 PWs) bands (ev): -15.4237 -15.4237 -15.4145 -15.4145 -14.3896 -14.3896 -14.3792 -14.3792 -14.3769 -14.3769 -6.7844 -6.7844 -5.2999 -5.2999 -5.2576 -5.2576 -3.9069 -3.9069 -2.3338 -2.3338 -0.7226 -0.7226 0.4518 0.4518 3.6441 3.6441 4.1061 4.1061 4.4428 4.4428 4.5400 4.5400 5.1516 5.1516 5.1858 5.1858 5.3782 5.3782 5.5916 5.5916 5.8030 5.8030 6.0849 6.0849 6.3088 6.3088 6.5799 6.5799 7.0791 7.0791 7.4278 7.4278 7.7410 7.7410 8.1297 8.1297 8.3645 8.3646 k = 0.0349-0.1103-0.0647 ( 8414 PWs) bands (ev): -15.4237 -15.4237 -15.4145 -15.4145 -14.3895 -14.3895 -14.3792 -14.3792 -14.3769 -14.3769 -6.7785 -6.7785 -5.2959 -5.2959 -5.2513 -5.2513 -3.9048 -3.9048 -2.3298 -2.3298 -0.7318 -0.7318 0.4494 0.4494 3.6135 3.6135 4.0598 4.0598 4.4306 4.4306 4.5513 4.5513 5.1042 5.1042 5.2055 5.2055 5.3217 5.3217 5.6115 5.6115 5.7740 5.7740 6.0348 6.0348 6.3544 6.3544 6.6513 6.6513 7.0808 7.0808 7.3644 7.3644 7.7457 7.7457 8.0880 8.0880 8.4315 8.4315 k = 0.0465-0.1470-0.0862 ( 8423 PWs) bands (ev): -15.4237 -15.4237 -15.4146 -15.4146 -14.3895 -14.3895 -14.3792 -14.3792 -14.3769 -14.3769 -6.7704 -6.7704 -5.2902 -5.2902 -5.2427 -5.2427 -3.9019 -3.9019 -2.3243 -2.3243 -0.7446 -0.7446 0.4459 0.4459 3.5727 3.5727 4.0079 4.0079 4.4006 4.4006 4.5618 4.5618 5.0447 5.0447 5.2080 5.2080 5.2838 5.2838 5.6349 5.6349 5.7329 5.7329 6.0037 6.0037 6.3824 6.3824 6.6896 6.6896 7.1133 7.1133 7.3252 7.3252 7.7301 7.7301 8.0748 8.0748 8.5079 8.5079 k = 0.0581-0.1838-0.1078 ( 8432 PWs) bands (ev): -15.4237 -15.4237 -15.4146 -15.4146 -14.3894 -14.3894 -14.3793 -14.3793 -14.3768 -14.3768 -6.7598 -6.7598 -5.2828 -5.2828 -5.2317 -5.2317 -3.8981 -3.8981 -2.3173 -2.3173 -0.7610 -0.7610 0.4411 0.4411 3.5235 3.5235 3.9532 3.9532 4.3597 4.3597 4.5533 4.5533 4.9892 4.9892 5.1585 5.1585 5.3004 5.3004 5.6354 5.6354 5.7055 5.7055 5.9911 5.9911 6.3669 6.3669 6.7104 6.7104 7.1442 7.1442 7.3520 7.3520 7.6986 7.6986 8.0864 8.0864 8.5864 8.5864 k = 0.0698-0.2205-0.1293 ( 8430 PWs) bands (ev): -15.4236 -15.4236 -15.4146 -15.4146 -14.3893 -14.3893 -14.3793 -14.3793 -14.3768 -14.3768 -6.7470 -6.7470 -5.2736 -5.2736 -5.2185 -5.2185 -3.8936 -3.8936 -2.3089 -2.3089 -0.7809 -0.7809 0.4350 0.4350 3.4676 3.4676 3.8969 3.8969 4.3120 4.3120 4.5126 4.5126 4.9521 4.9521 5.0954 5.0954 5.3315 5.3315 5.5775 5.5775 5.7295 5.7295 5.9886 5.9886 6.3031 6.3031 6.7424 6.7424 7.1363 7.1363 7.4587 7.4587 7.6633 7.6633 8.1130 8.1130 8.6380 8.6380 k = 0.0814-0.2573-0.1509 ( 8438 PWs) bands (ev): -15.4236 -15.4236 -15.4146 -15.4146 -14.3892 -14.3892 -14.3794 -14.3794 -14.3768 -14.3768 -6.7318 -6.7318 -5.2625 -5.2625 -5.2033 -5.2033 -3.8884 -3.8884 -2.2992 -2.2992 -0.8042 -0.8042 0.4273 0.4273 3.4064 3.4064 3.8391 3.8391 4.2596 4.2596 4.4405 4.4405 4.9330 4.9330 5.0351 5.0351 5.3610 5.3610 5.5030 5.5030 5.7581 5.7581 5.9897 5.9897 6.2200 6.2200 6.7839 6.7839 7.1163 7.1163 7.5723 7.5723 7.6609 7.6609 8.1456 8.1456 8.5989 8.5989 k = 0.0930-0.2940-0.1725 ( 8435 PWs) bands (ev): -15.4235 -15.4235 -15.4146 -15.4146 -14.3891 -14.3891 -14.3794 -14.3794 -14.3767 -14.3767 -6.7144 -6.7144 -5.2496 -5.2496 -5.1860 -5.1860 -3.8826 -3.8826 -2.2883 -2.2883 -0.8310 -0.8310 0.4180 0.4180 3.3410 3.3410 3.7798 3.7798 4.2033 4.2033 4.3498 4.3498 4.9063 4.9063 4.9958 4.9958 5.3802 5.3802 5.4290 5.4290 5.7530 5.7530 5.9984 5.9984 6.1563 6.1563 6.8220 6.8220 7.1000 7.1000 7.5775 7.5775 7.7852 7.7852 8.1770 8.1770 8.5358 8.5358 k = 0.1047-0.3308-0.1940 ( 8432 PWs) bands (ev): -15.4234 -15.4234 -15.4146 -15.4146 -14.3890 -14.3890 -14.3795 -14.3795 -14.3767 -14.3767 -6.6946 -6.6946 -5.2347 -5.2347 -5.1667 -5.1667 -3.8761 -3.8761 -2.2762 -2.2762 -0.8610 -0.8610 0.4069 0.4069 3.2718 3.2718 3.7189 3.7189 4.1431 4.1431 4.2544 4.2544 4.8493 4.8493 4.9911 4.9911 5.3311 5.3311 5.4139 5.4139 5.6876 5.6876 6.0207 6.0207 6.1398 6.1398 6.8456 6.8456 7.0938 7.0938 7.5675 7.5675 7.9214 7.9214 8.2085 8.2085 8.4786 8.4786 k = 0.1163-0.3675-0.2156 ( 8440 PWs) bands (ev): -15.4234 -15.4234 -15.4146 -15.4146 -14.3889 -14.3889 -14.3796 -14.3796 -14.3766 -14.3766 -6.6726 -6.6726 -5.2179 -5.2179 -5.1455 -5.1455 -3.8691 -3.8691 -2.2632 -2.2632 -0.8942 -0.8942 0.3940 0.3940 3.1989 3.1989 3.6560 3.6560 4.0777 4.0777 4.1648 4.1648 4.7765 4.7765 4.9995 4.9995 5.2478 5.2478 5.4204 5.4204 5.5850 5.5850 6.0333 6.0333 6.1785 6.1785 6.8478 6.8478 7.1012 7.1012 7.5714 7.5714 7.9796 7.9796 8.2805 8.2805 8.4506 8.4506 k = 0.1279-0.4043-0.2371 ( 8443 PWs) bands (ev): -15.4233 -15.4233 -15.4146 -15.4146 -14.3888 -14.3888 -14.3796 -14.3796 -14.3766 -14.3766 -6.6484 -6.6484 -5.1992 -5.1992 -5.1225 -5.1225 -3.8617 -3.8617 -2.2494 -2.2494 -0.9306 -0.9306 0.3793 0.3793 3.1219 3.1219 3.5912 3.5912 4.0065 4.0065 4.0878 4.0878 4.6963 4.6963 5.0068 5.0068 5.1606 5.1606 5.3953 5.3953 5.4983 5.4983 6.0297 6.0297 6.2525 6.2525 6.8290 6.8290 7.1204 7.1204 7.5915 7.5915 7.9283 7.9283 8.4112 8.4112 8.4641 8.4641 k = 0.1395-0.4410-0.2587 ( 8445 PWs) bands (ev): -15.4232 -15.4232 -15.4146 -15.4146 -14.3887 -14.3887 -14.3797 -14.3797 -14.3765 -14.3765 -6.6219 -6.6219 -5.1786 -5.1786 -5.0978 -5.0978 -3.8540 -3.8540 -2.2350 -2.2350 -0.9699 -0.9699 0.3627 0.3627 3.0403 3.0403 3.5248 3.5248 3.9342 3.9342 4.0230 4.0230 4.6097 4.6097 4.9950 4.9950 5.0822 5.0822 5.3070 5.3070 5.4759 5.4759 6.0181 6.0181 6.3396 6.3396 6.7949 6.7949 7.1468 7.1468 7.6257 7.6257 7.8254 7.8254 8.4600 8.4600 8.6034 8.6034 k = 0.1512-0.4778-0.2802 ( 8460 PWs) bands (ev): -15.4231 -15.4231 -15.4146 -15.4146 -14.3886 -14.3886 -14.3798 -14.3798 -14.3764 -14.3764 -6.5932 -6.5932 -5.1561 -5.1561 -5.0714 -5.0714 -3.8461 -3.8461 -2.2202 -2.2202 -1.0120 -1.0120 0.3443 0.3443 2.9537 2.9537 3.4576 3.4576 3.8664 3.8664 3.9669 3.9669 4.5158 4.5158 4.9213 4.9213 5.0511 5.0511 5.2112 5.2112 5.4737 5.4737 6.0014 6.0014 6.4280 6.4280 6.7512 6.7512 7.1769 7.1769 7.6643 7.6643 7.7129 7.7129 8.4822 8.4822 8.7800 8.7800 k = 0.1628-0.5145-0.3018 ( 8447 PWs) bands (ev): -15.4230 -15.4230 -15.4146 -15.4146 -14.3884 -14.3884 -14.3799 -14.3799 -14.3763 -14.3763 -6.5623 -6.5623 -5.1318 -5.1318 -5.0434 -5.0434 -3.8380 -3.8380 -2.2052 -2.2052 -1.0568 -1.0568 0.3243 0.3243 2.8623 2.8623 3.3907 3.3907 3.8054 3.8054 3.9179 3.9179 4.4133 4.4133 4.8140 4.8140 5.0326 5.0326 5.1380 5.1380 5.4728 5.4728 5.9808 5.9808 6.5075 6.5075 6.7025 6.7025 7.2086 7.2086 7.5836 7.5836 7.7294 7.7294 8.5007 8.5007 8.9577 8.9577 k = 0.1744-0.5513-0.3233 ( 8451 PWs) bands (ev): -15.4229 -15.4229 -15.4146 -15.4146 -14.3883 -14.3883 -14.3800 -14.3800 -14.3762 -14.3762 -6.5293 -6.5293 -5.1056 -5.1056 -5.0139 -5.0139 -3.8301 -3.8301 -2.1902 -2.1902 -1.1041 -1.1041 0.3028 0.3028 2.7665 2.7665 3.3253 3.3253 3.7502 3.7502 3.8770 3.8770 4.3008 4.3008 4.7021 4.7021 4.9874 4.9874 5.1040 5.1040 5.4707 5.4707 5.9570 5.9570 6.5604 6.5604 6.6566 6.6566 7.2403 7.2403 7.4870 7.4870 7.7858 7.7858 8.5143 8.5143 9.1271 9.1271 k = 0.1860-0.5880-0.3449 ( 8449 PWs) bands (ev): -15.4228 -15.4228 -15.4147 -15.4147 -14.3882 -14.3882 -14.3801 -14.3801 -14.3761 -14.3761 -6.4942 -6.4942 -5.0777 -5.0777 -4.9830 -4.9830 -3.8224 -3.8224 -2.1756 -2.1756 -1.1536 -1.1536 0.2801 0.2801 2.6676 2.6676 3.2621 3.2621 3.6984 3.6984 3.8453 3.8453 4.1781 4.1781 4.5942 4.5942 4.9247 4.9247 5.0940 5.0940 5.4669 5.4669 5.9306 5.9306 6.5522 6.5522 6.6313 6.6313 7.2716 7.2716 7.4289 7.4289 7.8448 7.8448 8.5224 8.5224 9.1722 9.1722 k = 0.1977-0.6248-0.3665 ( 8444 PWs) bands (ev): -15.4227 -15.4227 -15.4147 -15.4147 -14.3880 -14.3880 -14.3801 -14.3801 -14.3761 -14.3761 -6.4570 -6.4570 -5.0481 -5.0481 -4.9508 -4.9508 -3.8152 -3.8152 -2.1616 -2.1616 -1.2051 -1.2051 0.2564 0.2564 2.5667 2.5667 3.2015 3.2015 3.6480 3.6480 3.8234 3.8234 4.0474 4.0474 4.4934 4.4934 4.8602 4.8602 5.0895 5.0895 5.4616 5.4616 5.9022 5.9022 6.4968 6.4968 6.5982 6.5982 7.3090 7.3090 7.4201 7.4201 7.9040 7.9040 8.5252 8.5252 9.1691 9.1691 k = 0.2093-0.6616-0.3880 ( 8449 PWs) bands (ev): -15.4226 -15.4226 -15.4147 -15.4147 -14.3879 -14.3879 -14.3802 -14.3802 -14.3759 -14.3759 -6.4178 -6.4178 -5.0168 -5.0168 -4.9173 -4.9173 -3.8085 -3.8085 -2.1485 -2.1485 -1.2581 -1.2581 0.2318 0.2318 2.4656 2.4656 3.1436 3.1436 3.5978 3.5978 3.8072 3.8072 3.9153 3.9153 4.3999 4.3999 4.7977 4.7977 5.0852 5.0852 5.4551 5.4551 5.8719 5.8719 6.4207 6.4207 6.5340 6.5340 7.3599 7.3599 7.4509 7.4509 7.9617 7.9617 8.5233 8.5233 9.1584 9.1584 k = 0.2209-0.6983-0.4096 ( 8453 PWs) bands (ev): -15.4225 -15.4225 -15.4147 -15.4147 -14.3878 -14.3878 -14.3803 -14.3803 -14.3758 -14.3758 -6.3766 -6.3766 -4.9839 -4.9839 -4.8828 -4.8828 -3.8028 -3.8028 -2.1366 -2.1366 -1.3124 -1.3124 0.2067 0.2067 2.3654 2.3654 3.0885 3.0885 3.5471 3.5471 3.7457 3.7457 3.8355 3.8355 4.3127 4.3127 4.7379 4.7379 5.0797 5.0797 5.4477 5.4477 5.8400 5.8400 6.3199 6.3199 6.4604 6.4604 7.4129 7.4129 7.5162 7.5162 8.0169 8.0169 8.5177 8.5177 9.1424 9.1424 k = 0.2326-0.7351-0.4311 ( 8449 PWs) bands (ev): -15.4224 -15.4224 -15.4147 -15.4147 -14.3877 -14.3877 -14.3804 -14.3804 -14.3757 -14.3757 -6.3334 -6.3334 -4.9496 -4.9496 -4.8473 -4.8473 -3.7982 -3.7982 -2.1263 -2.1263 -1.3674 -1.3674 0.1813 0.1813 2.2674 2.2674 3.0359 3.0359 3.4936 3.4936 3.6161 3.6161 3.8343 3.8343 4.2308 4.2308 4.6808 4.6808 5.0727 5.0727 5.4398 5.4398 5.8057 5.8057 6.1956 6.1956 6.3934 6.3934 7.4574 7.4574 7.6107 7.6107 8.0687 8.0687 8.5092 8.5092 9.1222 9.1222 k = 0.2442-0.7718-0.4527 ( 8453 PWs) bands (ev): -15.4223 -15.4223 -15.4147 -15.4147 -14.3876 -14.3876 -14.3804 -14.3804 -14.3756 -14.3756 -6.2884 -6.2884 -4.9138 -4.9138 -4.8110 -4.8110 -3.7950 -3.7950 -2.1179 -2.1179 -1.4228 -1.4228 0.1558 0.1558 2.1727 2.1727 2.9859 2.9859 3.4226 3.4226 3.4977 3.4977 3.8480 3.8480 4.1538 4.1538 4.6263 4.6263 5.0640 5.0640 5.4316 5.4316 5.7669 5.7669 6.0601 6.0601 6.3333 6.3333 7.4962 7.4962 7.7216 7.7216 8.1162 8.1162 8.4989 8.4989 9.0988 9.0988 k = 0.2558-0.8086-0.4742 ( 8459 PWs) bands (ev): -15.4222 -15.4222 -15.4147 -15.4147 -14.3875 -14.3875 -14.3805 -14.3805 -14.3755 -14.3755 -6.2416 -6.2416 -4.8767 -4.8767 -4.7739 -4.7739 -3.7935 -3.7935 -2.1118 -2.1118 -1.4781 -1.4781 0.1303 0.1303 2.0822 2.0822 2.9383 2.9383 3.3059 3.3059 3.4273 3.4273 3.8675 3.8675 4.0820 4.0820 4.5744 4.5744 5.0538 5.0538 5.4235 5.4235 5.7170 5.7170 5.9288 5.9288 6.2775 6.2775 7.5318 7.5318 7.8406 7.8406 8.1589 8.1589 8.4881 8.4881 9.0726 9.0726 k = 0.2674-0.8453-0.4958 ( 8453 PWs) bands (ev): -15.4221 -15.4221 -15.4147 -15.4147 -14.3875 -14.3875 -14.3805 -14.3805 -14.3754 -14.3754 -6.1931 -6.1931 -4.8383 -4.8383 -4.7364 -4.7364 -3.7939 -3.7939 -2.1083 -2.1083 -1.5325 -1.5325 0.1050 0.1050 1.9964 1.9964 2.8931 2.8931 3.1732 3.1732 3.3778 3.3778 3.8863 3.8863 4.0194 4.0194 4.5248 4.5248 5.0420 5.0420 5.4156 5.4156 5.6392 5.6392 5.8239 5.8239 6.2248 6.2248 7.5648 7.5648 7.9629 7.9629 8.1959 8.1959 8.4779 8.4779 9.0431 9.0431 k = 0.2791-0.8821-0.5174 ( 8469 PWs) bands (ev): -15.4220 -15.4220 -15.4147 -15.4147 -14.3874 -14.3874 -14.3806 -14.3806 -14.3752 -14.3752 -6.1429 -6.1429 -4.7990 -4.7990 -4.6985 -4.6985 -3.7967 -3.7967 -2.1076 -2.1076 -1.5857 -1.5857 0.0802 0.0802 1.9158 1.9158 2.8497 2.8497 3.0421 3.0421 3.3337 3.3337 3.8837 3.8837 3.9849 3.9849 4.4776 4.4776 5.0282 5.0282 5.4077 5.4077 5.5252 5.5252 5.7582 5.7582 6.1750 6.1750 7.5952 7.5952 8.0847 8.0847 8.2266 8.2266 8.4707 8.4707 9.0084 9.0084 k = 0.2907-0.9188-0.5389 ( 8467 PWs) bands (ev): -15.4219 -15.4219 -15.4147 -15.4147 -14.3873 -14.3873 -14.3806 -14.3806 -14.3751 -14.3751 -6.0912 -6.0912 -4.7587 -4.7587 -4.6605 -4.6605 -3.8020 -3.8020 -2.1102 -2.1102 -1.6370 -1.6370 0.0558 0.0558 1.8406 1.8406 2.8067 2.8067 2.9179 2.9179 3.2928 3.2928 3.8406 3.8406 3.9952 3.9952 4.4328 4.4328 5.0114 5.0114 5.3812 5.3812 5.4144 5.4144 5.7154 5.7154 6.1276 6.1276 7.6230 7.6230 8.1991 8.1991 8.2509 8.2509 8.4705 8.4705 8.9640 8.9640 k = 0.3023-0.9556-0.5605 ( 8475 PWs) bands (ev): -15.4218 -15.4218 -15.4148 -15.4148 -14.3873 -14.3873 -14.3806 -14.3806 -14.3750 -14.3750 -6.0382 -6.0382 -4.7176 -4.7176 -4.6225 -4.6225 -3.8102 -3.8102 -2.1160 -2.1160 -1.6858 -1.6858 0.0320 0.0320 1.7707 1.7707 2.7534 2.7534 2.8132 2.8132 3.2544 3.2544 3.7828 3.7828 4.0225 4.0225 4.3903 4.3903 4.9876 4.9876 5.2627 5.2627 5.4007 5.4007 5.6821 5.6821 6.0828 6.0828 7.6481 7.6481 8.2575 8.2575 8.3030 8.3030 8.4882 8.4882 8.9029 8.9029 k = 0.3140-0.9923-0.5820 ( 8470 PWs) bands (ev): -15.4217 -15.4217 -15.4148 -15.4148 -14.3873 -14.3873 -14.3806 -14.3806 -14.3748 -14.3748 -5.9838 -5.9838 -4.6760 -4.6760 -4.5848 -4.5848 -3.8214 -3.8214 -2.1254 -2.1254 -1.7318 -1.7318 0.0090 0.0090 1.7057 1.7057 2.6636 2.6636 2.7557 2.7557 3.2186 3.2186 3.7231 3.7231 4.0508 4.0508 4.3499 4.3499 4.9465 4.9465 5.1584 5.1584 5.3962 5.3962 5.6538 5.6538 6.0405 6.0405 7.6705 7.6705 8.2606 8.2606 8.3579 8.3579 8.5404 8.5404 8.8244 8.8244 k = 0.3256-1.0291-0.6036 ( 8469 PWs) bands (ev): -15.4216 -15.4216 -15.4148 -15.4148 -14.3873 -14.3873 -14.3806 -14.3806 -14.3747 -14.3747 -5.9283 -5.9283 -4.6341 -4.6341 -4.5477 -4.5477 -3.8359 -3.8359 -2.1381 -2.1381 -1.7745 -1.7745 -0.0133 -0.0133 1.6449 1.6449 2.5648 2.5648 2.7197 2.7197 3.1853 3.1853 3.6643 3.6643 4.0728 4.0728 4.3118 4.3118 4.8760 4.8760 5.0946 5.0946 5.3935 5.3935 5.6294 5.6294 6.0007 6.0007 7.6900 7.6900 8.2478 8.2478 8.3758 8.3758 8.6056 8.6056 8.7511 8.7511 k = 0.3372-1.0658-0.6251 ( 8465 PWs) bands (ev): -15.4216 -15.4216 -15.4148 -15.4148 -14.3873 -14.3873 -14.3806 -14.3806 -14.3746 -14.3746 -5.8719 -5.8719 -4.5920 -4.5920 -4.5114 -4.5114 -3.8537 -3.8537 -2.1539 -2.1539 -1.8137 -1.8137 -0.0345 -0.0345 1.5874 1.5874 2.4743 2.4743 2.6895 2.6895 3.1545 3.1545 3.6072 3.6072 4.0812 4.0812 4.2759 4.2759 4.7885 4.7885 5.0657 5.0657 5.3919 5.3919 5.6091 5.6091 5.9634 5.9634 7.7067 7.7067 8.2152 8.2152 8.3739 8.3739 8.6031 8.6031 8.7489 8.7489 k = 0.3488-1.1026-0.6467 ( 8465 PWs) bands (ev): -15.4215 -15.4215 -15.4148 -15.4148 -14.3873 -14.3873 -14.3806 -14.3806 -14.3744 -14.3744 -5.8148 -5.8148 -4.5502 -4.5502 -4.4761 -4.4761 -3.8747 -3.8747 -2.1726 -2.1726 -1.8494 -1.8494 -0.0545 -0.0545 1.5319 1.5319 2.3962 2.3962 2.6628 2.6628 3.1264 3.1264 3.5522 3.5522 4.0672 4.0672 4.2426 4.2426 4.7093 4.7093 5.0548 5.0548 5.3908 5.3908 5.5940 5.5940 5.9288 5.9288 7.7204 7.7204 8.1552 8.1552 8.3601 8.3601 8.5607 8.5607 8.7848 8.7848 k = 0.3605-1.1393-0.6683 ( 8462 PWs) bands (ev): -15.4214 -15.4214 -15.4148 -15.4148 -14.3873 -14.3873 -14.3806 -14.3806 -14.3743 -14.3743 -5.7572 -5.7572 -4.5089 -4.5089 -4.4424 -4.4424 -3.8989 -3.8989 -2.1934 -2.1934 -1.8817 -1.8817 -0.0732 -0.0732 1.4771 1.4771 2.3326 2.3326 2.6390 2.6390 3.1010 3.1010 3.4995 3.4995 4.0235 4.0235 4.2124 4.2124 4.6527 4.6527 5.0536 5.0536 5.3892 5.3892 5.5859 5.5859 5.8969 5.8969 7.7303 7.7303 8.0660 8.0660 8.3417 8.3417 8.5348 8.5348 8.8029 8.8029 k = 0.3721-1.1761-0.6898 ( 8467 PWs) bands (ev): -15.4213 -15.4213 -15.4148 -15.4148 -14.3873 -14.3873 -14.3806 -14.3806 -14.3742 -14.3742 -5.6995 -5.6995 -4.4685 -4.4685 -4.4104 -4.4104 -3.9259 -3.9259 -2.2158 -2.2158 -1.9107 -1.9107 -0.0903 -0.0903 1.4222 1.4222 2.2850 2.2850 2.6180 2.6180 3.0782 3.0782 3.4491 3.4491 3.9503 3.9503 4.1850 4.1850 4.6210 4.6210 5.0590 5.0590 5.3856 5.3856 5.5874 5.5874 5.8676 5.8676 7.7341 7.7341 7.9581 7.9581 8.3246 8.3246 8.5235 8.5235 8.8053 8.8053 k = 0.3837-1.2128-0.7114 ( 8462 PWs) bands (ev): -15.4213 -15.4213 -15.4148 -15.4148 -14.3873 -14.3873 -14.3806 -14.3806 -14.3741 -14.3741 -5.6420 -5.6420 -4.4296 -4.4296 -4.3806 -4.3806 -3.9550 -3.9550 -2.2390 -2.2390 -1.9368 -1.9368 -0.1057 -0.1057 1.3666 1.3666 2.2542 2.2542 2.5995 2.5995 3.0582 3.0582 3.4012 3.4012 3.8553 3.8553 4.1599 4.1599 4.6079 4.6079 5.0693 5.0693 5.3787 5.3787 5.6007 5.6007 5.8413 5.8413 7.7191 7.7191 7.8540 7.8540 8.3102 8.3102 8.5194 8.5194 8.8000 8.8000 k = 0.3953-1.2496-0.7329 ( 8462 PWs) bands (ev): -15.4212 -15.4212 -15.4148 -15.4148 -14.3873 -14.3873 -14.3806 -14.3806 -14.3740 -14.3740 -5.5853 -5.5853 -4.3927 -4.3927 -4.3533 -4.3533 -3.9855 -3.9855 -2.2625 -2.2625 -1.9600 -1.9600 -0.1192 -0.1192 1.3106 1.3106 2.2400 2.2400 2.5833 2.5833 3.0409 3.0409 3.3558 3.3558 3.7475 3.7475 4.1371 4.1371 4.6051 4.6051 5.0833 5.0833 5.3685 5.3685 5.6268 5.6268 5.8182 5.8182 7.6441 7.6441 7.8019 7.8019 8.2982 8.2982 8.5184 8.5184 8.7914 8.7914 k = 0.4070-1.2863-0.7545 ( 8464 PWs) bands (ev): -15.4212 -15.4212 -15.4148 -15.4148 -14.3873 -14.3873 -14.3806 -14.3806 -14.3739 -14.3739 -5.5298 -5.5298 -4.3593 -4.3593 -4.3285 -4.3285 -4.0161 -4.0161 -2.2855 -2.2855 -1.9806 -1.9806 -0.1308 -0.1308 1.2552 1.2552 2.2417 2.2417 2.5695 2.5695 3.0263 3.0263 3.3129 3.3129 3.6337 3.6337 4.1165 4.1165 4.6069 4.6069 5.0994 5.0994 5.3554 5.3554 5.6648 5.6648 5.7993 5.7993 7.5224 7.5224 7.7921 7.7921 8.2880 8.2880 8.5186 8.5186 8.7816 8.7816 k = 0.4186-1.3231-0.7760 ( 8462 PWs) bands (ev): -15.4211 -15.4211 -15.4148 -15.4148 -14.3874 -14.3874 -14.3806 -14.3806 -14.3738 -14.3738 -5.4764 -5.4764 -4.3321 -4.3321 -4.3049 -4.3049 -4.0453 -4.0453 -2.3075 -2.3075 -1.9987 -1.9987 -0.1404 -0.1404 1.2015 1.2015 2.2579 2.2579 2.5579 2.5579 3.0140 3.0140 3.2720 3.2720 3.5191 3.5191 4.0982 4.0982 4.6098 4.6098 5.1165 5.1165 5.3405 5.3405 5.7092 5.7092 5.7895 5.7895 7.3899 7.3899 7.7915 7.7915 8.2794 8.2794 8.5191 8.5191 8.7719 8.7719 k = 0.4302-1.3599-0.7976 ( 8467 PWs) bands (ev): -15.4211 -15.4211 -15.4148 -15.4148 -14.3874 -14.3874 -14.3805 -14.3805 -14.3737 -14.3737 -5.4258 -5.4258 -4.3149 -4.3149 -4.2803 -4.2803 -4.0710 -4.0710 -2.3280 -2.3280 -2.0143 -2.0143 -0.1480 -0.1480 1.1512 1.1512 2.2871 2.2871 2.5486 2.5486 3.0035 3.0035 3.2323 3.2323 3.4081 3.4081 4.0824 4.0824 4.6125 4.6125 5.1336 5.1336 5.3245 5.3245 5.7346 5.7346 5.8129 5.8129 7.2557 7.2557 7.7927 7.7927 8.2722 8.2722 8.5197 8.5197 8.7629 8.7629 k = 0.4419-1.3966-0.8192 ( 8447 PWs) bands (ev): -15.4210 -15.4210 -15.4148 -15.4148 -14.3874 -14.3874 -14.3805 -14.3805 -14.3736 -14.3736 -5.3792 -5.3792 -4.3080 -4.3080 -4.2559 -4.2559 -4.0913 -4.0913 -2.3464 -2.3464 -2.0274 -2.0274 -0.1538 -0.1538 1.1056 1.1056 2.3274 2.3274 2.5417 2.5417 2.9933 2.9933 3.1901 3.1901 3.3078 3.3078 4.0689 4.0689 4.6146 4.6146 5.1503 5.1503 5.3081 5.3081 5.7317 5.7317 5.8769 5.8769 7.1230 7.1230 7.7942 7.7942 8.2662 8.2662 8.5202 8.5202 8.7549 8.7549 k = 0.4535-1.4334-0.8407 ( 8450 PWs) bands (ev): -15.4210 -15.4210 -15.4148 -15.4148 -14.3874 -14.3874 -14.3805 -14.3805 -14.3736 -14.3736 -5.3378 -5.3378 -4.3094 -4.3094 -4.2341 -4.2341 -4.1050 -4.1050 -2.3623 -2.3623 -2.0381 -2.0381 -0.1581 -0.1581 1.0661 1.0661 2.3764 2.3764 2.5380 2.5380 2.9795 2.9795 3.1369 3.1369 3.2325 3.2325 4.0578 4.0578 4.6159 4.6159 5.1664 5.1664 5.2916 5.2916 5.7234 5.7234 5.9564 5.9564 6.9942 6.9942 7.7954 7.7954 8.2614 8.2614 8.5205 8.5205 8.7481 8.7481 k = 0.4651-1.4701-0.8623 ( 8464 PWs) bands (ev): -15.4210 -15.4210 -15.4148 -15.4148 -14.3874 -14.3874 -14.3805 -14.3805 -14.3735 -14.3735 -5.3032 -5.3032 -4.3163 -4.3163 -4.2162 -4.2162 -4.1127 -4.1127 -2.3753 -2.3753 -2.0464 -2.0464 -0.1610 -0.1610 1.0341 1.0341 2.4292 2.4292 2.5402 2.5402 2.9499 2.9499 3.0798 3.0798 3.1889 3.1889 4.0492 4.0492 4.6166 4.6166 5.1819 5.1819 5.2752 5.2752 5.7159 5.7159 6.0419 6.0419 6.8721 6.8721 7.7964 7.7964 8.2577 8.2577 8.5208 8.5208 8.7427 8.7427 k = 0.4767-1.5069-0.8838 ( 8476 PWs) bands (ev): -15.4210 -15.4210 -15.4148 -15.4148 -14.3874 -14.3874 -14.3805 -14.3805 -14.3735 -14.3735 -5.2769 -5.2769 -4.3249 -4.3249 -4.2029 -4.2029 -4.1162 -4.1162 -2.3849 -2.3849 -2.0523 -2.0523 -0.1628 -0.1628 1.0105 1.0105 2.4731 2.4731 2.5585 2.5585 2.8913 2.8913 3.0478 3.0478 3.1638 3.1638 4.0430 4.0430 4.6170 4.6170 5.1972 5.1972 5.2592 5.2592 5.7102 5.7102 6.1266 6.1266 6.7620 6.7620 7.7971 7.7971 8.2551 8.2551 8.5209 8.5209 8.7388 8.7388 k = 0.4884-1.5436-0.9054 ( 8496 PWs) bands (ev): -15.4209 -15.4209 -15.4148 -15.4148 -14.3875 -14.3875 -14.3805 -14.3805 -14.3735 -14.3735 -5.2604 -5.2604 -4.3317 -4.3317 -4.1947 -4.1947 -4.1174 -4.1174 -2.3907 -2.3907 -2.0559 -2.0559 -0.1637 -0.1637 0.9960 0.9960 2.4921 2.4921 2.6017 2.6017 2.8219 2.8219 3.0372 3.0372 3.1497 3.1497 4.0393 4.0393 4.6171 4.6171 5.2122 5.2122 5.2435 5.2435 5.7067 5.7067 6.1974 6.1974 6.6762 6.6762 7.7975 7.7975 8.2535 8.2535 8.5210 8.5210 8.7365 8.7365 k = 0.5000-1.5804-0.9269 ( 8492 PWs) bands (ev): -15.4209 -15.4209 -15.4148 -15.4148 -14.3875 -14.3875 -14.3805 -14.3805 -14.3735 -14.3735 -5.2548 -5.2548 -4.3343 -4.3343 -4.1920 -4.1920 -4.1177 -4.1177 -2.3927 -2.3927 -2.0571 -2.0571 -0.1640 -0.1640 0.9911 0.9911 2.4959 2.4959 2.6321 2.6321 2.7839 2.7839 3.0348 3.0348 3.1450 3.1450 4.0381 4.0381 4.6172 4.6172 5.2246 5.2246 5.2309 5.2309 5.7056 5.7056 6.2278 6.2278 6.6408 6.6408 7.7976 7.7976 8.2530 8.2530 8.5210 8.5210 8.7357 8.7357 k = 0.5000-1.5804-0.9269 ( 8492 PWs) bands (ev): -15.4209 -15.4209 -15.4148 -15.4148 -14.3875 -14.3875 -14.3805 -14.3805 -14.3735 -14.3735 -5.2548 -5.2548 -4.3343 -4.3343 -4.1920 -4.1920 -4.1177 -4.1177 -2.3927 -2.3927 -2.0571 -2.0571 -0.1640 -0.1640 0.9911 0.9911 2.4959 2.4959 2.6321 2.6321 2.7839 2.7839 3.0348 3.0348 3.1450 3.1450 4.0381 4.0381 4.6172 4.6172 5.2246 5.2246 5.2309 5.2309 5.7056 5.7056 6.2278 6.2278 6.6408 6.6408 7.7976 7.7976 8.2530 8.2530 8.5210 8.5210 8.7357 8.7357 k = 0.5000-1.5584-0.9643 ( 8490 PWs) bands (ev): -15.4209 -15.4209 -15.4148 -15.4148 -14.3874 -14.3874 -14.3805 -14.3805 -14.3735 -14.3735 -5.2537 -5.2537 -4.3342 -4.3342 -4.1916 -4.1916 -4.1172 -4.1172 -2.3924 -2.3924 -2.0584 -2.0584 -0.1642 -0.1642 0.9922 0.9922 2.4920 2.4920 2.6330 2.6330 2.7816 2.7816 3.0038 3.0038 3.1802 3.1802 4.0431 4.0431 4.5976 4.5976 5.0924 5.0924 5.3603 5.3603 5.7211 5.7211 6.2358 6.2358 6.6421 6.6421 7.7706 7.7706 8.1852 8.1852 8.5814 8.5814 8.7678 8.7678 k = 0.5000-1.5365-1.0017 ( 8484 PWs) bands (ev): -15.4209 -15.4209 -15.4148 -15.4148 -14.3874 -14.3874 -14.3805 -14.3805 -14.3735 -14.3735 -5.2506 -5.2506 -4.3338 -4.3338 -4.1902 -4.1902 -4.1156 -4.1156 -2.3916 -2.3916 -2.0623 -2.0623 -0.1647 -0.1647 0.9956 0.9956 2.4802 2.4802 2.6356 2.6356 2.7745 2.7745 2.9516 2.9516 3.2455 3.2455 4.0579 4.0579 4.5429 4.5429 4.9547 4.9547 5.4888 5.4888 5.7628 5.7628 6.2605 6.2605 6.6461 6.6461 7.6980 7.6980 8.0549 8.0549 8.6912 8.6912 8.8544 8.8544 k = 0.5000-1.5146-1.0391 ( 8480 PWs) bands (ev): -15.4209 -15.4209 -15.4148 -15.4148 -14.3874 -14.3874 -14.3805 -14.3805 -14.3735 -14.3735 -5.2453 -5.2453 -4.3332 -4.3332 -4.1880 -4.1880 -4.1129 -4.1129 -2.3902 -2.3902 -2.0689 -2.0689 -0.1655 -0.1655 1.0012 1.0012 2.4607 2.4607 2.6396 2.6396 2.7613 2.7613 2.9031 2.9031 3.3183 3.3183 4.0816 4.0816 4.4626 4.4626 4.8153 4.8153 5.6106 5.6106 5.8212 5.8212 6.3030 6.3030 6.6529 6.6529 7.5968 7.5968 7.9108 7.9108 8.8066 8.8066 8.9738 8.9738 k = 0.5000-1.4926-1.0765 ( 8486 PWs) bands (ev): -15.4209 -15.4209 -15.4148 -15.4148 -14.3873 -14.3873 -14.3806 -14.3806 -14.3735 -14.3735 -5.2379 -5.2379 -4.3326 -4.3326 -4.1849 -4.1849 -4.1092 -4.1092 -2.3883 -2.3883 -2.0780 -2.0780 -0.1667 -0.1667 1.0090 1.0090 2.4339 2.4339 2.6442 2.6442 2.7393 2.7393 2.8665 2.8665 3.3936 3.3936 4.1133 4.1133 4.3664 4.3664 4.6750 4.6750 5.7182 5.7182 5.8912 5.8912 6.3631 6.3631 6.6630 6.6630 7.4814 7.4814 7.7649 7.7649 8.9216 8.9216 9.1071 9.1071 k = 0.5000-1.4707-1.1139 ( 8484 PWs) bands (ev): -15.4209 -15.4209 -15.4148 -15.4148 -14.3872 -14.3872 -14.3806 -14.3806 -14.3735 -14.3735 -5.2284 -5.2284 -4.3320 -4.3320 -4.1809 -4.1809 -4.1045 -4.1045 -2.3859 -2.3859 -2.0895 -2.0895 -0.1683 -0.1683 1.0191 1.0191 2.4008 2.4008 2.6463 2.6463 2.7099 2.7099 2.8457 2.8457 3.4693 3.4693 4.1513 4.1513 4.2622 4.2622 4.5349 4.5349 5.8002 5.8002 5.9753 5.9753 6.4362 6.4362 6.6769 6.6769 7.3625 7.3625 7.6233 7.6233 9.0344 9.0344 9.2429 9.2429 k = 0.5000-1.4488-1.1513 ( 8484 PWs) bands (ev): -15.4209 -15.4209 -15.4148 -15.4148 -14.3871 -14.3871 -14.3806 -14.3806 -14.3736 -14.3736 -5.2168 -5.2168 -4.3315 -4.3315 -4.1759 -4.1759 -4.0989 -4.0989 -2.3831 -2.3831 -2.1035 -2.1035 -0.1703 -0.1703 1.0314 1.0314 2.3630 2.3630 2.6316 2.6316 2.6906 2.6906 2.8379 2.8379 3.5427 3.5427 4.1518 4.1518 4.1984 4.1984 4.3962 4.3962 5.8542 5.8542 6.0701 6.0701 6.5126 6.5126 6.6952 6.6952 7.2498 7.2498 7.4924 7.4924 9.1437 9.1437 9.3741 9.3741 k = 0.5000-1.4268-1.1887 ( 8480 PWs) bands (ev): -15.4208 -15.4208 -15.4148 -15.4148 -14.3870 -14.3870 -14.3807 -14.3807 -14.3736 -14.3736 -5.2031 -5.2031 -4.3315 -4.3315 -4.1698 -4.1698 -4.0923 -4.0923 -2.3800 -2.3800 -2.1196 -2.1196 -0.1727 -0.1727 1.0460 1.0460 2.3220 2.3220 2.5931 2.5931 2.6933 2.6933 2.8385 2.8385 3.6090 3.6090 4.0510 4.0510 4.2335 4.2335 4.2714 4.2714 5.8891 5.8891 6.1600 6.1600 6.5777 6.5777 6.7156 6.7156 7.1551 7.1551 7.3840 7.3840 9.2486 9.2486 9.4925 9.4925 k = 0.5000-1.4049-1.2261 ( 8490 PWs) bands (ev): -15.4208 -15.4208 -15.4148 -15.4148 -14.3869 -14.3869 -14.3808 -14.3808 -14.3737 -14.3737 -5.1875 -5.1875 -4.3320 -4.3320 -4.1628 -4.1628 -4.0850 -4.0850 -2.3765 -2.3765 -2.1378 -2.1378 -0.1757 -0.1757 1.0627 1.0627 2.2793 2.2793 2.5466 2.5466 2.7047 2.7047 2.8447 2.8447 3.6551 3.6551 3.9649 3.9649 4.1247 4.1247 4.3019 4.3019 5.9123 5.9123 6.2261 6.2261 6.6187 6.6187 6.7245 6.7245 7.0948 7.0948 7.3194 7.3194 9.3471 9.3471 9.5827 9.5827 k = 0.5000-1.3830-1.2635 ( 8492 PWs) bands (ev): -15.4208 -15.4208 -15.4149 -15.4149 -14.3867 -14.3867 -14.3808 -14.3808 -14.3737 -14.3737 -5.1697 -5.1697 -4.3332 -4.3332 -4.1548 -4.1548 -4.0769 -4.0769 -2.3729 -2.3729 -2.1579 -2.1579 -0.1792 -0.1792 1.0816 1.0816 2.2363 2.2363 2.4988 2.4988 2.7196 2.7196 2.8551 2.8551 3.6527 3.6527 3.9068 3.9068 4.0189 4.0189 4.3566 4.3566 5.9272 5.9272 6.2493 6.2493 6.6324 6.6324 6.7031 6.7031 7.0839 7.0839 7.3216 7.3216 9.4296 9.4296 9.6287 9.6287 k = 0.5000-1.3611-1.3009 ( 8512 PWs) bands (ev): -15.4207 -15.4207 -15.4149 -15.4149 -14.3866 -14.3866 -14.3809 -14.3809 -14.3738 -14.3738 -5.1500 -5.1500 -4.3355 -4.3355 -4.1458 -4.1458 -4.0682 -4.0682 -2.3692 -2.3692 -2.1796 -2.1796 -0.1832 -0.1832 1.1026 1.1026 2.1939 2.1939 2.4515 2.4515 2.7367 2.7367 2.8687 2.8687 3.5923 3.5923 3.8205 3.8205 4.0041 4.0041 4.4141 4.4141 5.9342 5.9342 6.2194 6.2194 6.5993 6.5993 6.6805 6.6805 7.1265 7.1265 7.3861 7.3861 9.4626 9.4626 9.6649 9.6649 k = 0.5000-1.3391-1.3383 ( 8514 PWs) bands (ev): -15.4207 -15.4207 -15.4149 -15.4149 -14.3864 -14.3864 -14.3810 -14.3810 -14.3738 -14.3738 -5.1284 -5.1284 -4.3390 -4.3390 -4.1358 -4.1358 -4.0589 -4.0589 -2.3655 -2.3655 -2.2027 -2.2027 -0.1877 -0.1877 1.1258 1.1258 2.1529 2.1529 2.4058 2.4058 2.7556 2.7556 2.8850 2.8850 3.5044 3.5044 3.7034 3.7034 4.0542 4.0542 4.4735 4.4735 5.9314 5.9314 6.1463 6.1463 6.5154 6.5154 6.6890 6.6890 7.2117 7.2117 7.4879 7.4879 9.4250 9.4250 9.7336 9.7336 k = 0.5000-1.3172-1.3756 ( 8508 PWs) bands (ev): -15.4207 -15.4207 -15.4149 -15.4149 -14.3862 -14.3862 -14.3811 -14.3811 -14.3739 -14.3739 -5.1047 -5.1047 -4.3440 -4.3440 -4.1249 -4.1249 -4.0493 -4.0493 -2.3619 -2.3619 -2.2269 -2.2269 -0.1927 -0.1927 1.1512 1.1512 2.1136 2.1136 2.3619 2.3619 2.7757 2.7757 2.9033 2.9033 3.4096 3.4096 3.5843 3.5843 4.1216 4.1216 4.5340 4.5340 5.9127 5.9127 6.0494 6.0494 6.4228 6.4228 6.7071 6.7071 7.3237 7.3237 7.6085 7.6085 9.3491 9.3491 9.7995 9.7995 k = 0.5000-1.2953-1.4130 ( 8506 PWs) bands (ev): -15.4206 -15.4206 -15.4149 -15.4149 -14.3860 -14.3860 -14.3812 -14.3812 -14.3739 -14.3739 -5.0793 -5.0793 -4.3506 -4.3506 -4.1133 -4.1133 -4.0393 -4.0393 -2.3585 -2.3585 -2.2517 -2.2517 -0.1981 -0.1981 1.1785 1.1785 2.0762 2.0762 2.3201 2.3201 2.7964 2.7964 2.9230 2.9230 3.3157 3.3157 3.4697 3.4697 4.1940 4.1940 4.5952 4.5952 5.8658 5.8658 5.9476 5.9476 6.3427 6.3427 6.7285 6.7285 7.4511 7.4511 7.7384 7.7384 9.2562 9.2562 9.7945 9.7945 k = 0.5000-1.2733-1.4504 ( 8512 PWs) bands (ev): -15.4206 -15.4206 -15.4149 -15.4149 -14.3858 -14.3858 -14.3814 -14.3814 -14.3740 -14.3740 -5.0519 -5.0519 -4.3592 -4.3592 -4.1010 -4.1010 -4.0293 -4.0293 -2.3554 -2.3554 -2.2769 -2.2769 -0.2039 -0.2039 1.2080 1.2080 2.0408 2.0408 2.2804 2.2804 2.8170 2.8170 2.9430 2.9430 3.2265 3.2265 3.3625 3.3625 4.2671 4.2671 4.6562 4.6562 5.7789 5.7789 5.8549 5.8549 6.2865 6.2865 6.7515 6.7515 7.5871 7.5871 7.8727 7.8727 9.1542 9.1542 9.7160 9.7160 k = 0.5000-1.2514-1.4878 ( 8524 PWs) bands (ev): -15.4205 -15.4205 -15.4149 -15.4149 -14.3856 -14.3856 -14.3815 -14.3815 -14.3740 -14.3740 -5.0228 -5.0228 -4.3698 -4.3698 -4.0882 -4.0882 -4.0194 -4.0194 -2.3527 -2.3527 -2.3021 -2.3021 -0.2099 -0.2099 1.2394 1.2394 2.0073 2.0073 2.2426 2.2426 2.8358 2.8358 2.9598 2.9598 3.1467 3.1467 3.2660 3.2660 4.3386 4.3386 4.7163 4.7163 5.6697 5.6697 5.7609 5.7609 6.2557 6.2557 6.7755 6.7755 7.7277 7.7277 8.0083 8.0083 9.0470 9.0470 9.6099 9.6099 k = 0.5000-1.2295-1.5252 ( 8526 PWs) bands (ev): -15.4205 -15.4205 -15.4150 -15.4150 -14.3854 -14.3854 -14.3816 -14.3816 -14.3740 -14.3740 -4.9919 -4.9919 -4.3829 -4.3829 -4.0751 -4.0751 -4.0098 -4.0098 -2.3506 -2.3506 -2.3265 -2.3265 -0.2159 -0.2159 1.2728 1.2728 1.9753 1.9753 2.2061 2.2061 2.8497 2.8497 2.9618 2.9618 3.0881 3.0881 3.1853 3.1853 4.4061 4.4061 4.7740 4.7740 5.5580 5.5580 5.6588 5.6588 6.2438 6.2438 6.8003 6.8003 7.8700 7.8700 8.1432 8.1432 8.9375 8.9375 9.4935 9.4935 k = 0.5000-1.2075-1.5626 ( 8516 PWs) bands (ev): -15.4205 -15.4205 -15.4150 -15.4150 -14.3852 -14.3852 -14.3818 -14.3818 -14.3741 -14.3741 -4.9594 -4.9594 -4.3985 -4.3985 -4.0618 -4.0618 -4.0006 -4.0006 -2.3534 -2.3534 -2.3457 -2.3457 -0.2219 -0.2219 1.3081 1.3081 1.9445 1.9445 2.1703 2.1703 2.8532 2.8532 2.9282 2.9282 3.0707 3.0707 3.1289 3.1289 4.4668 4.4668 4.8264 4.8264 5.4526 5.4526 5.5548 5.5548 6.2438 6.2438 6.8260 6.8260 8.0110 8.0110 8.2748 8.2748 8.8293 8.8293 9.3726 9.3726 k = 0.5000-1.1856-1.6000 ( 8516 PWs) bands (ev): -15.4204 -15.4204 -15.4150 -15.4150 -14.3850 -14.3850 -14.3819 -14.3819 -14.3741 -14.3741 -4.9253 -4.9253 -4.4169 -4.4169 -4.0485 -4.0485 -3.9921 -3.9921 -2.3740 -2.3740 -2.3462 -2.3462 -0.2277 -0.2277 1.3452 1.3452 1.9144 1.9144 2.1343 2.1343 2.8406 2.8406 2.8726 2.8726 3.0759 3.0759 3.1095 3.1095 4.5162 4.5162 4.8683 4.8683 5.3602 5.3602 5.4580 5.4580 6.2508 6.2508 6.8524 6.8524 8.1461 8.1461 8.3979 8.3979 8.7308 8.7308 9.2505 9.2505 k = 0.5000-1.1637-1.6374 ( 8524 PWs) bands (ev): -15.4204 -15.4204 -15.4150 -15.4150 -14.3848 -14.3848 -14.3821 -14.3821 -14.3741 -14.3741 -4.8896 -4.8896 -4.4382 -4.4382 -4.0356 -4.0356 -3.9846 -3.9846 -2.3946 -2.3946 -2.3454 -2.3454 -0.2330 -0.2330 1.3840 1.3840 1.8847 1.8847 2.0971 2.0971 2.8078 2.8078 2.8231 2.8231 3.0833 3.0833 3.1257 3.1257 4.5476 4.5476 4.8893 4.8893 5.2887 5.2887 5.3814 5.3814 6.2623 6.2623 6.8795 6.8795 8.2614 8.2614 8.4911 8.4911 8.6747 8.6747 9.1305 9.1305 k = 0.5000-1.1417-1.6748 ( 8520 PWs) bands (ev): -15.4204 -15.4204 -15.4150 -15.4150 -14.3846 -14.3846 -14.3823 -14.3823 -14.3742 -14.3742 -4.8526 -4.8526 -4.4626 -4.4626 -4.0231 -4.0231 -3.9783 -3.9783 -2.4132 -2.4132 -2.3449 -2.3449 -0.2377 -0.2377 1.4243 1.4243 1.8550 1.8550 2.0579 2.0579 2.7605 2.7605 2.7912 2.7912 3.1011 3.1011 3.1534 3.1534 4.5532 4.5532 4.8763 4.8763 5.2450 5.2450 5.3417 5.3417 6.2767 6.2767 6.9071 6.9071 8.3051 8.3051 8.5371 8.5371 8.7229 8.7229 9.0199 9.0199 k = 0.5000-1.1198-1.7122 ( 8516 PWs) bands (ev): -15.4204 -15.4204 -15.4150 -15.4150 -14.3844 -14.3844 -14.3824 -14.3824 -14.3742 -14.3742 -4.8142 -4.8142 -4.4902 -4.4902 -4.0113 -4.0113 -3.9735 -3.9735 -2.4294 -2.4294 -2.3447 -2.3447 -0.2417 -0.2417 1.4658 1.4658 1.8254 1.8254 2.0164 2.0164 2.7207 2.7207 2.7658 2.7658 3.1273 3.1273 3.1846 3.1846 4.5282 4.5282 4.8251 4.8251 5.2326 5.2326 5.3459 5.3459 6.2929 6.2929 6.9352 6.9352 8.2451 8.2451 8.6044 8.6044 8.8092 8.8092 8.9493 8.9493 k = 0.5000-1.0979-1.7496 ( 8522 PWs) bands (ev): -15.4203 -15.4203 -15.4150 -15.4150 -14.3842 -14.3842 -14.3826 -14.3826 -14.3742 -14.3742 -4.7746 -4.7746 -4.5210 -4.5210 -4.0005 -4.0005 -3.9704 -3.9704 -2.4426 -2.4426 -2.3446 -2.3446 -0.2449 -0.2449 1.5079 1.5079 1.7961 1.7961 1.9727 1.9727 2.6922 2.6922 2.7482 2.7482 3.1585 3.1585 3.2172 3.2172 4.4761 4.4761 4.7470 4.7470 5.2503 5.2503 5.3824 5.3824 6.3104 6.3104 6.9636 6.9636 8.1446 8.1446 8.6157 8.6157 8.8703 8.8703 8.9959 8.9959 k = 0.5000-1.0759-1.7870 ( 8518 PWs) bands (ev): -15.4203 -15.4203 -15.4150 -15.4150 -14.3840 -14.3840 -14.3828 -14.3828 -14.3742 -14.3742 -4.7339 -4.7339 -4.5551 -4.5551 -3.9909 -3.9909 -3.9692 -3.9692 -2.4528 -2.4528 -2.3446 -2.3446 -0.2471 -0.2471 1.5497 1.5497 1.7682 1.7682 1.9278 1.9278 2.6756 2.6756 2.7396 2.7396 3.1927 3.1927 3.2501 3.2501 4.4054 4.4054 4.6557 4.6557 5.2911 5.2911 5.4372 5.4372 6.3287 6.3287 6.9923 6.9923 8.0332 8.0332 8.5362 8.5362 8.9697 8.9697 9.1017 9.1017 k = 0.5000-1.0540-1.8244 ( 8506 PWs) bands (ev): -15.4203 -15.4203 -15.4150 -15.4150 -14.3838 -14.3838 -14.3829 -14.3829 -14.3742 -14.3742 -4.6924 -4.6924 -4.5925 -4.5925 -3.9827 -3.9827 -3.9704 -3.9704 -2.4596 -2.4596 -2.3444 -2.3444 -0.2484 -0.2484 1.5882 1.5882 1.7441 1.7441 1.8836 1.8836 2.6706 2.6706 2.7402 2.7402 3.2284 3.2284 3.2824 3.2824 4.3249 4.3249 4.5601 4.5601 5.3471 5.3471 5.5023 5.5023 6.3476 6.3476 7.0211 7.0211 7.9187 7.9187 8.4266 8.4266 9.0906 9.0906 9.2147 9.2147 k = 0.5000-1.0321-1.8618 ( 8512 PWs) bands (ev): -15.4203 -15.4203 -15.4150 -15.4150 -14.3838 -14.3838 -14.3830 -14.3830 -14.3742 -14.3742 -4.6510 -4.6510 -4.6322 -4.6322 -3.9763 -3.9763 -3.9737 -3.9737 -2.4630 -2.4630 -2.3437 -2.3437 -0.2486 -0.2486 1.6163 1.6163 1.7295 1.7295 1.8436 1.8436 2.6761 2.6761 2.7499 2.7499 3.2646 3.2646 3.3131 3.3131 4.2410 4.2410 4.4655 4.4655 5.4124 5.4124 5.5737 5.5737 6.3666 6.3666 7.0498 7.0498 7.8039 7.8039 8.3097 8.3097 9.2157 9.2157 9.3270 9.3270 k = 0.5000-1.0101-1.8992 ( 8508 PWs) bands (ev): -15.4203 -15.4203 -15.4150 -15.4150 -14.3838 -14.3838 -14.3829 -14.3829 -14.3742 -14.3742 -4.6774 -4.6774 -4.6065 -4.6065 -3.9803 -3.9803 -3.9712 -3.9712 -2.4628 -2.4628 -2.3425 -2.3425 -0.2480 -0.2480 1.6230 1.6230 1.7278 1.7278 1.8176 1.8176 2.6913 2.6913 2.7682 2.7682 3.3001 3.3001 3.3409 3.3409 4.1579 4.1579 4.3755 4.3755 5.4835 5.4835 5.6494 5.6494 6.3857 6.3857 7.0782 7.0782 7.6902 7.6902 8.1911 8.1911 9.3395 9.3395 9.4365 9.4365 k = 0.8280-0.9595-1.8086 ( 8508 PWs) bands (ev): -15.4203 -15.4203 -15.4150 -15.4150 -14.3838 -14.3838 -14.3829 -14.3829 -14.3742 -14.3742 -4.6774 -4.6774 -4.6065 -4.6065 -3.9803 -3.9803 -3.9712 -3.9712 -2.4628 -2.4628 -2.3425 -2.3425 -0.2480 -0.2480 1.6230 1.6230 1.7278 1.7278 1.8176 1.8176 2.6913 2.6913 2.7682 2.7682 3.3001 3.3001 3.3409 3.3409 4.1579 4.1579 4.3755 4.3755 5.4835 5.4835 5.6494 5.6494 6.3857 6.3857 7.0782 7.0782 7.6902 7.6902 8.1911 8.1911 9.3395 9.3395 9.4365 9.4365 k = 0.8212-0.9379-1.7700 ( 8504 PWs) bands (ev): -15.4203 -15.4203 -15.4150 -15.4150 -14.3839 -14.3839 -14.3828 -14.3828 -14.3742 -14.3742 -4.7255 -4.7255 -4.5620 -4.5620 -3.9896 -3.9896 -3.9684 -3.9684 -2.4588 -2.4588 -2.3403 -2.3403 -0.2464 -0.2464 1.6112 1.6112 1.7168 1.7168 1.8264 1.8264 2.7158 2.7158 2.7953 2.7953 3.3343 3.3343 3.3647 3.3647 4.0769 4.0769 4.2905 4.2905 5.5605 5.5605 5.7309 5.7309 6.4052 6.4052 7.1068 7.1068 7.5752 7.5752 8.0690 8.0690 9.4636 9.4636 9.5453 9.5453 k = 0.8143-0.9163-1.7313 ( 8508 PWs) bands (ev): -15.4203 -15.4203 -15.4150 -15.4150 -14.3841 -14.3841 -14.3827 -14.3827 -14.3742 -14.3742 -4.7766 -4.7766 -4.5172 -4.5172 -4.0020 -4.0020 -3.9677 -3.9677 -2.4511 -2.4511 -2.3369 -2.3369 -0.2440 -0.2440 1.5932 1.5932 1.6912 1.6912 1.8656 1.8656 2.7484 2.7484 2.8302 2.8302 3.3634 3.3634 3.3817 3.3817 4.0044 4.0044 4.2169 4.2169 5.6390 5.6390 5.8151 5.8151 6.4243 6.4243 7.1342 7.1342 7.4640 7.4640 7.9485 7.9485 9.5820 9.5820 9.6480 9.6480 k = 0.8075-0.8947-1.6927 ( 8504 PWs) bands (ev): -15.4204 -15.4204 -15.4150 -15.4150 -14.3842 -14.3842 -14.3825 -14.3825 -14.3742 -14.3742 -4.8304 -4.8304 -4.4727 -4.4727 -4.0173 -4.0173 -3.9695 -3.9695 -2.4398 -2.4398 -2.3321 -2.3321 -0.2409 -0.2409 1.5757 1.5757 1.6649 1.6649 1.9164 1.9164 2.7880 2.7880 2.8719 2.8719 3.3809 3.3809 3.3925 3.3925 3.9446 3.9446 4.1583 4.1583 5.7177 5.7177 5.9016 5.9016 6.4428 6.4428 7.1587 7.1587 7.3593 7.3593 7.8303 7.8303 9.6924 9.6924 9.7403 9.7403 k = 0.8007-0.8731-1.6541 ( 8506 PWs) bands (ev): -15.4204 -15.4204 -15.4150 -15.4150 -14.3844 -14.3844 -14.3824 -14.3824 -14.3742 -14.3742 -4.8866 -4.8866 -4.4291 -4.4291 -4.0353 -4.0353 -3.9738 -3.9738 -2.4250 -2.4250 -2.3257 -2.3257 -0.2373 -0.2373 1.5612 1.5612 1.6429 1.6429 1.9721 1.9721 2.8336 2.8336 2.9198 2.9198 3.3780 3.3780 3.3996 3.3996 3.9018 3.9018 4.1178 4.1178 5.7948 5.7948 5.9899 5.9899 6.4606 6.4606 7.1713 7.1713 7.2709 7.2709 7.7151 7.7151 9.7861 9.7861 9.8136 9.8136 k = 0.7938-0.8515-1.6155 ( 8492 PWs) bands (ev): -15.4204 -15.4204 -15.4150 -15.4150 -14.3846 -14.3846 -14.3822 -14.3822 -14.3742 -14.3742 -4.9450 -4.9450 -4.3871 -4.3871 -4.0555 -4.0555 -3.9806 -3.9806 -2.4071 -2.4071 -2.3175 -2.3175 -0.2331 -0.2331 1.5511 1.5511 1.6270 1.6270 2.0309 2.0309 2.8840 2.8840 2.9728 2.9728 3.3607 3.3607 3.3941 3.3941 3.8799 3.8799 4.0968 4.0968 5.8683 5.8683 6.0796 6.0796 6.4777 6.4777 7.1303 7.1303 7.2421 7.2421 7.6037 7.6037 9.8093 9.8093 9.8919 9.8919 k = 0.7870-0.8299-1.5768 ( 8494 PWs) bands (ev): -15.4205 -15.4205 -15.4150 -15.4150 -14.3848 -14.3848 -14.3821 -14.3821 -14.3742 -14.3742 -5.0051 -5.0051 -4.3480 -4.3480 -4.0767 -4.0767 -3.9900 -3.9900 -2.3862 -2.3862 -2.3074 -2.3074 -0.2284 -0.2284 1.5462 1.5462 1.6177 1.6177 2.0916 2.0916 2.9377 2.9377 3.0293 3.0293 3.3343 3.3343 3.3738 3.3738 3.8791 3.8791 4.0944 4.0944 5.9355 5.9355 6.1700 6.1700 6.4938 6.4938 7.0543 7.0543 7.2560 7.2560 7.4975 7.4975 9.7839 9.7839 9.9652 9.9652 k = 0.7802-0.8083-1.5382 ( 8492 PWs) bands (ev): -15.4205 -15.4205 -15.4150 -15.4150 -14.3850 -14.3850 -14.3820 -14.3820 -14.3742 -14.3742 -5.0667 -5.0667 -4.3142 -4.3142 -4.0968 -4.0968 -4.0019 -4.0019 -2.3628 -2.3628 -2.2954 -2.2954 -0.2232 -0.2232 1.5470 1.5470 1.6154 1.6154 2.1540 2.1540 2.9916 2.9916 3.0859 3.0859 3.3069 3.3069 3.3432 3.3432 3.8960 3.8960 4.1079 4.1079 5.9927 5.9927 6.2601 6.2601 6.5093 6.5093 6.9838 6.9838 7.2733 7.2733 7.3997 7.3997 9.7454 9.7454 10.0186 10.0186 k = 0.7733-0.7867-1.4996 ( 8494 PWs) bands (ev): -15.4205 -15.4205 -15.4150 -15.4150 -14.3851 -14.3851 -14.3818 -14.3818 -14.3742 -14.3742 -5.1296 -5.1296 -4.2904 -4.2904 -4.1110 -4.1110 -4.0163 -4.0163 -2.3372 -2.3372 -2.2812 -2.2812 -0.2173 -0.2173 1.5539 1.5539 1.6199 1.6199 2.2176 2.2176 3.0382 3.0382 3.1339 3.1339 3.2928 3.2928 3.3124 3.3124 3.9257 3.9257 4.1338 4.1338 6.0350 6.0350 6.3479 6.3479 6.5247 6.5247 6.9281 6.9281 7.2690 7.2690 7.3320 7.3320 9.7026 9.7026 10.0465 10.0465 k = 0.7665-0.7651-1.4610 ( 8486 PWs) bands (ev): -15.4206 -15.4206 -15.4150 -15.4150 -14.3853 -14.3853 -14.3817 -14.3817 -14.3742 -14.3742 -5.1935 -5.1935 -4.2834 -4.2834 -4.1128 -4.1128 -4.0330 -4.0330 -2.3097 -2.3097 -2.2649 -2.2649 -0.2107 -0.2107 1.5668 1.5668 1.6314 1.6314 2.2822 2.2822 3.0615 3.0615 3.1566 3.1566 3.2929 3.2929 3.3206 3.3206 3.9640 3.9640 4.1688 4.1688 6.0576 6.0576 6.4285 6.4285 6.5422 6.5422 6.8918 6.8918 7.2076 7.2076 7.3331 7.3331 9.6582 9.6582 10.0468 10.0468 k = 0.7597-0.7435-1.4224 ( 8484 PWs) bands (ev): -15.4207 -15.4207 -15.4149 -15.4149 -14.3855 -14.3855 -14.3816 -14.3816 -14.3743 -14.3743 -5.2580 -5.2580 -4.2958 -4.2958 -4.0996 -4.0996 -4.0521 -4.0521 -2.2808 -2.2808 -2.2464 -2.2464 -0.2031 -0.2031 1.5855 1.5855 1.6496 1.6496 2.3475 2.3475 3.0525 3.0525 3.1465 3.1465 3.3191 3.3191 3.3778 3.3778 4.0078 4.0078 4.2107 4.2107 6.0573 6.0573 6.4895 6.4895 6.5679 6.5679 6.8767 6.8767 7.1495 7.1495 7.3499 7.3499 9.6131 9.6131 10.0217 10.0217 k = 0.7528-0.7219-1.3837 ( 8488 PWs) bands (ev): -15.4207 -15.4207 -15.4149 -15.4149 -14.3856 -14.3856 -14.3815 -14.3815 -14.3743 -14.3743 -5.3229 -5.3229 -4.3225 -4.3225 -4.0769 -4.0769 -4.0731 -4.0731 -2.2509 -2.2509 -2.2255 -2.2255 -0.1945 -0.1945 1.6099 1.6099 1.6743 1.6743 2.4132 2.4132 3.0253 3.0253 3.1175 3.1175 3.3786 3.3786 3.4526 3.4526 4.0551 4.0551 4.2574 4.2574 6.0349 6.0349 6.5200 6.5200 6.5989 6.5989 6.8848 6.8848 7.1202 7.1202 7.3677 7.3677 9.5680 9.5680 9.9767 9.9767 k = 0.7460-0.7003-1.3451 ( 8480 PWs) bands (ev): -15.4208 -15.4208 -15.4149 -15.4149 -14.3857 -14.3857 -14.3814 -14.3814 -14.3743 -14.3743 -5.3881 -5.3881 -4.3573 -4.3573 -4.0967 -4.0967 -4.0498 -4.0498 -2.2204 -2.2204 -2.2022 -2.2022 -0.1845 -0.1845 1.6396 1.6396 1.7050 1.7050 2.4791 2.4791 2.9936 2.9936 3.0854 3.0854 3.4540 3.4540 3.5359 3.5359 4.1046 4.1046 4.3079 4.3079 5.9947 5.9947 6.5322 6.5322 6.6043 6.6043 6.9233 6.9233 7.1284 7.1284 7.3855 7.3855 9.5231 9.5231 9.9177 9.9177 k = 0.7392-0.6787-1.3065 ( 8486 PWs) bands (ev): -15.4209 -15.4209 -15.4149 -15.4149 -14.3859 -14.3859 -14.3813 -14.3813 -14.3744 -14.3744 -5.4531 -5.4531 -4.3971 -4.3971 -4.1219 -4.1219 -4.0226 -4.0226 -2.1898 -2.1898 -2.1763 -2.1763 -0.1731 -0.1731 1.6745 1.6745 1.7410 1.7410 2.5449 2.5449 2.9635 2.9635 3.0567 3.0567 3.5378 3.5378 3.6244 3.6244 4.1553 4.1553 4.3612 4.3612 5.9426 5.9426 6.5305 6.5305 6.5791 6.5791 6.9916 6.9916 7.1690 7.1690 7.4033 7.4033 9.4787 9.4787 9.8490 9.8490 k = 0.7323-0.6571-1.2679 ( 8498 PWs) bands (ev): -15.4210 -15.4210 -15.4149 -15.4149 -14.3860 -14.3860 -14.3813 -14.3813 -14.3745 -14.3745 -5.5180 -5.5180 -4.4399 -4.4399 -4.1487 -4.1487 -3.9968 -3.9968 -2.1593 -2.1593 -2.1480 -2.1480 -0.1601 -0.1601 1.7142 1.7142 1.7816 1.7816 2.6100 2.6100 2.9383 2.9383 3.0345 3.0345 3.6270 3.6270 3.7168 3.7168 4.2066 4.2066 4.4167 4.4167 5.8837 5.8837 6.4936 6.4936 6.5623 6.5623 7.0770 7.0770 7.2308 7.2308 7.4228 7.4228 9.4348 9.4348 9.7735 9.7735 k = 0.7255-0.6355-1.2292 ( 8492 PWs) bands (ev): -15.4210 -15.4210 -15.4149 -15.4149 -14.3861 -14.3861 -14.3812 -14.3812 -14.3745 -14.3745 -5.5824 -5.5824 -4.4847 -4.4847 -4.1770 -4.1770 -3.9733 -3.9733 -2.1288 -2.1288 -2.1178 -2.1178 -0.1455 -0.1455 1.7585 1.7585 1.8258 1.8258 2.6739 2.6739 2.9198 2.9198 3.0206 3.0206 3.7200 3.7200 3.8121 3.8121 4.2580 4.2580 4.4740 4.4740 5.8217 5.8217 6.4290 6.4290 6.5599 6.5599 7.1686 7.1686 7.3038 7.3038 7.4478 7.4478 9.3917 9.3917 9.6932 9.6932 k = 0.7187-0.6139-1.1906 ( 8484 PWs) bands (ev): -15.4211 -15.4211 -15.4149 -15.4149 -14.3862 -14.3862 -14.3811 -14.3811 -14.3746 -14.3746 -5.6462 -5.6462 -4.5309 -4.5309 -4.2067 -4.2067 -3.9528 -3.9528 -2.0981 -2.0981 -2.0862 -2.0862 -0.1291 -0.1291 1.8071 1.8071 1.8728 1.8728 2.7357 2.7357 2.9098 2.9098 3.0167 3.0167 3.8158 3.8158 3.9095 3.9095 4.3090 4.3090 4.5329 4.5329 5.7597 5.7597 6.3567 6.3567 6.5589 6.5589 7.2556 7.2556 7.3799 7.3799 7.4872 7.4872 9.3494 9.3494 9.6094 9.6094 k = 0.7118-0.5923-1.1520 ( 8480 PWs) bands (ev): -15.4212 -15.4212 -15.4149 -15.4149 -14.3864 -14.3864 -14.3811 -14.3811 -14.3747 -14.3747 -5.7091 -5.7091 -4.5781 -4.5781 -4.2374 -4.2374 -3.9354 -3.9354 -2.0677 -2.0677 -2.0530 -2.0530 -0.1110 -0.1110 1.8596 1.8596 1.9218 1.9218 2.7937 2.7937 2.9100 2.9100 3.0241 3.0241 3.9135 3.9135 4.0083 4.0083 4.3595 4.3595 4.5933 4.5933 5.6999 5.6999 6.2826 6.2826 6.5571 6.5571 7.3220 7.3220 7.4593 7.4593 7.5515 7.5515 9.3077 9.3077 9.5229 9.5229 k = 0.7050-0.5707-1.1134 ( 8474 PWs) bands (ev): -15.4213 -15.4213 -15.4148 -15.4148 -14.3865 -14.3865 -14.3810 -14.3810 -14.3747 -14.3747 -5.7712 -5.7712 -4.6257 -4.6257 -4.2691 -4.2691 -3.9214 -3.9214 -2.0387 -2.0387 -2.0177 -2.0177 -0.0913 -0.0913 1.9156 1.9156 1.9720 1.9720 2.8449 2.8449 2.9238 2.9238 3.0438 3.0438 4.0116 4.0116 4.1074 4.1074 4.4095 4.4095 4.6554 4.6554 5.6442 5.6442 6.2090 6.2090 6.5540 6.5540 7.3589 7.3589 7.5518 7.5518 7.6363 7.6363 9.2666 9.2666 9.4347 9.4347 k = 0.6982-0.5491-1.0748 ( 8472 PWs) bands (ev): -15.4214 -15.4214 -15.4148 -15.4148 -14.3866 -14.3866 -14.3809 -14.3809 -14.3748 -14.3748 -5.8322 -5.8322 -4.6736 -4.6736 -4.3016 -4.3016 -3.9109 -3.9109 -2.0113 -2.0113 -1.9804 -1.9804 -0.0700 -0.0700 1.9743 1.9743 2.0235 2.0235 2.8860 2.8860 2.9556 2.9556 3.0758 3.0758 4.1082 4.1082 4.2062 4.2062 4.4596 4.4596 4.7196 4.7196 5.5944 5.5944 6.1370 6.1370 6.5498 6.5498 7.3768 7.3768 7.6553 7.6553 7.7309 7.7309 9.2249 9.2249 9.3458 9.3458 k = 0.6913-0.5275-1.0361 ( 8476 PWs) bands (ev): -15.4215 -15.4215 -15.4148 -15.4148 -14.3867 -14.3867 -14.3809 -14.3809 -14.3749 -14.3749 -5.8920 -5.8920 -4.7214 -4.7214 -4.3346 -4.3346 -3.9038 -3.9038 -1.9858 -1.9858 -1.9412 -1.9412 -0.0473 -0.0473 2.0341 2.0341 2.0771 2.0771 2.9207 2.9207 3.0036 3.0036 3.1182 3.1182 4.1999 4.1999 4.3039 4.3039 4.5106 4.5106 4.7865 4.7865 5.5522 5.5522 6.0676 6.0676 6.5445 6.5445 7.3853 7.3853 7.7641 7.7641 7.8291 7.8291 9.1786 9.1786 9.2590 9.2590 k = 0.6845-0.5059-0.9975 ( 8472 PWs) bands (ev): -15.4216 -15.4216 -15.4148 -15.4148 -14.3868 -14.3868 -14.3808 -14.3808 -14.3750 -14.3750 -5.9504 -5.9504 -4.7689 -4.7689 -4.3679 -4.3679 -3.9000 -3.9000 -1.9623 -1.9623 -1.9007 -1.9007 -0.0231 -0.0231 2.0929 2.0929 2.1349 2.1349 2.9573 2.9573 3.0622 3.0622 3.1683 3.1683 4.2819 4.2819 4.4006 4.4006 4.5644 4.5644 4.8567 4.8567 5.5197 5.5197 6.0015 6.0015 6.5383 6.5383 7.3887 7.3887 7.8751 7.8751 7.9275 7.9275 9.1135 9.1135 9.1743 9.1743 k = 0.6777-0.4843-0.9589 ( 8474 PWs) bands (ev): -15.4217 -15.4217 -15.4148 -15.4148 -14.3869 -14.3869 -14.3808 -14.3808 -14.3751 -14.3751 -6.0075 -6.0075 -4.8159 -4.8159 -4.4015 -4.4015 -3.8992 -3.8992 -1.9408 -1.9408 -1.8592 -1.8592 0.0024 0.0024 2.1489 2.1489 2.1989 2.1989 2.9999 2.9999 3.1290 3.1290 3.2237 3.2237 4.3488 4.3488 4.4963 4.4963 4.6226 4.6226 4.9310 4.9310 5.4990 5.4990 5.9391 5.9391 6.5314 6.5314 7.3889 7.3889 7.9861 7.9861 8.0235 8.0235 9.0194 9.0194 9.0807 9.0807 k = 0.6708-0.4627-0.9203 ( 8472 PWs) bands (ev): -15.4218 -15.4218 -15.4148 -15.4148 -14.3870 -14.3870 -14.3807 -14.3807 -14.3752 -14.3752 -6.0630 -6.0630 -4.8623 -4.8623 -4.4351 -4.4351 -3.9013 -3.9013 -1.9214 -1.9214 -1.8171 -1.8171 0.0292 0.0292 2.2030 2.2030 2.2686 2.2686 3.0497 3.0497 3.2028 3.2028 3.2833 3.2833 4.3979 4.3979 4.5899 4.5899 4.6854 4.6854 5.0096 5.0096 5.4925 5.4925 5.8814 5.8814 6.5240 6.5240 7.3866 7.3866 8.0934 8.0934 8.1161 8.1161 8.9085 8.9085 8.9914 8.9914 k = 0.6640-0.4411-0.8816 ( 8462 PWs) bands (ev): -15.4219 -15.4219 -15.4148 -15.4148 -14.3871 -14.3871 -14.3807 -14.3807 -14.3753 -14.3753 -6.1169 -6.1169 -4.9077 -4.9077 -4.4685 -4.4685 -3.9060 -3.9060 -1.9041 -1.9041 -1.7750 -1.7750 0.0573 0.0573 2.2571 2.2571 2.3425 2.3425 3.1068 3.1068 3.2802 3.2802 3.3490 3.3490 4.4303 4.4303 4.6774 4.6774 4.7524 4.7524 5.0915 5.0915 5.5029 5.5029 5.8294 5.8294 6.5164 6.5164 7.3825 7.3825 8.1815 8.1815 8.2142 8.2142 8.7903 8.7903 8.9111 8.9111 k = 0.6572-0.4195-0.8430 ( 8460 PWs) bands (ev): -15.4221 -15.4221 -15.4148 -15.4148 -14.3872 -14.3872 -14.3806 -14.3806 -14.3754 -14.3754 -6.1691 -6.1691 -4.9522 -4.9522 -4.5016 -4.5016 -3.9131 -3.9131 -1.8890 -1.8890 -1.7332 -1.7332 0.0867 0.0867 2.3129 2.3129 2.4199 2.4199 3.1706 3.1706 3.3544 3.3544 3.4263 3.4263 4.4494 4.4494 4.7535 4.7535 4.8234 4.8234 5.1742 5.1742 5.5327 5.5327 5.7850 5.7850 6.5089 6.5089 7.3769 7.3769 8.2409 8.2409 8.3175 8.3175 8.6687 8.6687 8.8449 8.8449 k = 0.6503-0.3979-0.8044 ( 8452 PWs) bands (ev): -15.4222 -15.4222 -15.4147 -15.4147 -14.3873 -14.3873 -14.3805 -14.3805 -14.3755 -14.3755 -6.2195 -6.2195 -4.9956 -4.9956 -4.5343 -4.5343 -3.9221 -3.9221 -1.8759 -1.8759 -1.6923 -1.6923 0.1174 0.1174 2.3713 2.3713 2.5002 2.5002 3.2401 3.2401 3.4212 3.4212 3.5191 3.5191 4.4585 4.4585 4.8162 4.8162 4.8955 4.8955 5.2540 5.2540 5.5835 5.5835 5.7514 5.7514 6.5020 6.5020 7.3700 7.3700 8.2676 8.2676 8.4150 8.4150 8.5463 8.5463 8.8014 8.8014 k = 0.6435-0.3763-0.7658 ( 8432 PWs) bands (ev): -15.4223 -15.4223 -15.4147 -15.4147 -14.3874 -14.3874 -14.3805 -14.3805 -14.3757 -14.3757 -6.2680 -6.2680 -5.0376 -5.0376 -4.5664 -4.5664 -3.9328 -3.9328 -1.8649 -1.8649 -1.6526 -1.6526 0.1495 0.1495 2.4329 2.4329 2.5833 2.5833 3.3129 3.3129 3.4844 3.4844 3.6239 3.6239 4.4606 4.4606 4.8682 4.8682 4.9630 4.9630 5.3248 5.3248 5.6539 5.6539 5.7351 5.7351 6.4961 6.4961 7.3619 7.3619 8.2548 8.2548 8.4135 8.4135 8.5117 8.5117 8.7875 8.7875 k = 0.6367-0.3547-0.7272 ( 8446 PWs) bands (ev): -15.4224 -15.4224 -15.4147 -15.4147 -14.3876 -14.3876 -14.3804 -14.3804 -14.3758 -14.3758 -6.3147 -6.3147 -5.0783 -5.0783 -4.5978 -4.5978 -3.9449 -3.9449 -1.8559 -1.8559 -1.6146 -1.6146 0.1830 0.1830 2.4981 2.4981 2.6693 2.6693 3.3853 3.3853 3.5497 3.5497 3.7371 3.7371 4.4585 4.4585 4.9121 4.9121 5.0222 5.0222 5.3787 5.3787 5.7299 5.7299 5.7558 5.7558 6.4920 6.4920 7.3529 7.3529 8.2053 8.2053 8.2903 8.2903 8.5816 8.5816 8.8026 8.8026 k = 0.6298-0.3332-0.6885 ( 8458 PWs) bands (ev): -15.4225 -15.4225 -15.4147 -15.4147 -14.3877 -14.3877 -14.3803 -14.3803 -14.3759 -14.3759 -6.3594 -6.3594 -5.1176 -5.1176 -4.6283 -4.6283 -3.9581 -3.9581 -1.8486 -1.8486 -1.5786 -1.5786 0.2180 0.2180 2.5670 2.5670 2.7579 2.7579 3.4521 3.4521 3.6224 3.6224 3.8567 3.8567 4.4544 4.4544 4.9491 4.9491 5.0723 5.0723 5.4090 5.4090 5.7804 5.7804 5.8468 5.8468 6.4908 6.4908 7.3428 7.3428 8.1281 8.1281 8.1677 8.1677 8.6289 8.6289 8.8410 8.8410 k = 0.6230-0.3116-0.6499 ( 8446 PWs) bands (ev): -15.4226 -15.4226 -15.4147 -15.4147 -14.3878 -14.3878 -14.3803 -14.3803 -14.3760 -14.3760 -6.4021 -6.4021 -5.1552 -5.1552 -4.6579 -4.6579 -3.9721 -3.9721 -1.8431 -1.8431 -1.5449 -1.5449 0.2543 0.2543 2.6397 2.6397 2.8491 2.8491 3.5091 3.5091 3.7063 3.7063 3.9815 3.9815 4.4506 4.4506 4.9795 4.9795 5.1144 5.1144 5.4193 5.4193 5.8525 5.8525 5.9517 5.9517 6.4939 6.4939 7.3317 7.3317 8.0227 8.0227 8.0594 8.0594 8.6515 8.6515 8.8935 8.8935 k = 0.6162-0.2900-0.6113 ( 8454 PWs) bands (ev): -15.4227 -15.4227 -15.4147 -15.4147 -14.3880 -14.3880 -14.3802 -14.3802 -14.3761 -14.3761 -6.4427 -6.4427 -5.1912 -5.1912 -4.6865 -4.6865 -3.9867 -3.9867 -1.8391 -1.8391 -1.5137 -1.5137 0.2921 0.2921 2.7157 2.7157 2.9427 2.9427 3.5557 3.5557 3.8013 3.8013 4.1104 4.1104 4.4490 4.4490 5.0032 5.0032 5.1498 5.1498 5.4195 5.4195 5.9421 5.9421 6.0575 6.0575 6.5041 6.5041 7.3194 7.3194 7.9011 7.9011 7.9617 7.9617 8.6574 8.6574 8.9474 8.9474 k = 0.6093-0.2684-0.5727 ( 8442 PWs) bands (ev): -15.4228 -15.4228 -15.4147 -15.4147 -14.3881 -14.3881 -14.3801 -14.3801 -14.3761 -14.3761 -6.4812 -6.4812 -5.2255 -5.2255 -4.7139 -4.7139 -4.0016 -4.0016 -1.8364 -1.8364 -1.4852 -1.4852 0.3310 0.3310 2.7947 2.7947 3.0385 3.0385 3.5938 3.5938 3.9047 3.9047 4.2420 4.2420 4.4522 4.4522 5.0204 5.0204 5.1802 5.1802 5.4177 5.4177 6.0379 6.0379 6.1585 6.1585 6.5250 6.5250 7.3055 7.3055 7.7794 7.7794 7.8655 7.8655 8.6540 8.6540 8.9926 8.9926 k = 0.6025-0.2468-0.5340 ( 8440 PWs) bands (ev): -15.4229 -15.4229 -15.4147 -15.4147 -14.3882 -14.3882 -14.3800 -14.3800 -14.3762 -14.3762 -6.5175 -6.5175 -5.2580 -5.2580 -4.7400 -4.7400 -4.0166 -4.0166 -1.8350 -1.8350 -1.4594 -1.4594 0.3709 0.3709 2.8759 2.8759 3.1360 3.1360 3.6259 3.6259 4.0131 4.0131 4.3714 4.3714 4.4661 4.4661 5.0311 5.0311 5.2066 5.2066 5.4181 5.4181 6.1286 6.1286 6.2512 6.2512 6.5605 6.5605 7.2894 7.2894 7.6627 7.6627 7.7727 7.7727 8.6458 8.6458 9.0212 9.0212 k = 0.5957-0.2252-0.4954 ( 8438 PWs) bands (ev): -15.4230 -15.4230 -15.4146 -15.4146 -14.3884 -14.3884 -14.3799 -14.3799 -14.3763 -14.3763 -6.5517 -6.5517 -5.2887 -5.2887 -4.7649 -4.7649 -4.0315 -4.0315 -1.8346 -1.8346 -1.4364 -1.4364 0.4116 0.4116 2.9585 2.9585 3.2344 3.2344 3.6540 3.6540 4.1227 4.1227 4.4546 4.4546 4.5367 4.5367 5.0361 5.0361 5.2302 5.2302 5.4221 5.4221 6.2015 6.2015 6.3383 6.3383 6.6089 6.6089 7.2699 7.2699 7.5564 7.5564 7.6885 7.6885 8.6353 8.6353 9.0250 9.0250 k = 0.5888-0.2036-0.4568 ( 8438 PWs) bands (ev): -15.4231 -15.4231 -15.4146 -15.4146 -14.3885 -14.3885 -14.3798 -14.3798 -14.3764 -14.3764 -6.5836 -6.5836 -5.3175 -5.3175 -4.7883 -4.7883 -4.0461 -4.0461 -1.8351 -1.8351 -1.4160 -1.4160 0.4526 0.4526 3.0410 3.0410 3.3327 3.3327 3.6808 3.6808 4.2279 4.2279 4.4915 4.4915 4.6676 4.6676 5.0369 5.0369 5.2519 5.2519 5.4297 5.4297 6.2499 6.2499 6.4228 6.4228 6.6580 6.6580 7.2461 7.2461 7.4683 7.4683 7.6203 7.6203 8.6238 8.6238 8.9937 8.9937 k = 0.5820-0.1820-0.4182 ( 8448 PWs) bands (ev): -15.4232 -15.4232 -15.4146 -15.4146 -14.3886 -14.3886 -14.3797 -14.3797 -14.3765 -14.3765 -6.6133 -6.6133 -5.3443 -5.3443 -4.8102 -4.8102 -4.0602 -4.0602 -1.8362 -1.8362 -1.3983 -1.3983 0.4935 0.4935 3.1216 3.1216 3.4291 3.4291 3.7093 3.7093 4.3192 4.3192 4.5429 4.5429 4.8042 4.8042 5.0363 5.0363 5.2727 5.2727 5.4402 5.4402 6.2794 6.2794 6.4973 6.4973 6.6879 6.6879 7.2188 7.2188 7.4087 7.4087 7.5779 7.5779 8.6114 8.6114 8.9179 8.9180 k = 0.5752-0.1604-0.3796 ( 8446 PWs) bands (ev): -15.4233 -15.4233 -15.4146 -15.4146 -14.3888 -14.3888 -14.3797 -14.3797 -14.3765 -14.3765 -6.6407 -6.6407 -5.3691 -5.3691 -4.8306 -4.8306 -4.0738 -4.0738 -1.8379 -1.8379 -1.3829 -1.3829 0.5338 0.5338 3.1978 3.1978 3.5206 3.5206 3.7444 3.7444 4.3887 4.3887 4.6211 4.6211 4.9317 4.9317 5.0437 5.0437 5.2938 5.2938 5.4528 5.4528 6.2977 6.2977 6.5466 6.5466 6.6827 6.6827 7.1937 7.1937 7.3835 7.3835 7.5720 7.5720 8.5957 8.5957 8.8059 8.8059 k = 0.5683-0.1388-0.3409 ( 8438 PWs) bands (ev): -15.4234 -15.4234 -15.4146 -15.4146 -14.3889 -14.3889 -14.3796 -14.3796 -14.3766 -14.3766 -6.6658 -6.6658 -5.3918 -5.3918 -4.8495 -4.8495 -4.0865 -4.0865 -1.8400 -1.8400 -1.3698 -1.3698 0.5731 0.5731 3.2664 3.2664 3.6034 3.6034 3.7916 3.7916 4.4413 4.4413 4.7199 4.7199 4.9965 4.9965 5.1109 5.1109 5.3174 5.3174 5.4672 5.4672 6.3089 6.3089 6.5541 6.5541 6.6445 6.6445 7.1810 7.1810 7.3867 7.3867 7.6081 7.6081 8.5649 8.5649 8.6828 8.6828 k = 0.5615-0.1172-0.3023 ( 8440 PWs) bands (ev): -15.4234 -15.4234 -15.4146 -15.4146 -14.3890 -14.3890 -14.3795 -14.3795 -14.3767 -14.3767 -6.6885 -6.6885 -5.4125 -5.4125 -4.8666 -4.8666 -4.0984 -4.0984 -1.8423 -1.8423 -1.3587 -1.3587 0.6107 0.6107 3.3243 3.3243 3.6753 3.6753 3.8546 3.8546 4.4879 4.4879 4.8234 4.8234 5.0094 5.0094 5.2218 5.2218 5.3511 5.3511 5.4850 5.4850 6.3111 6.3111 6.5153 6.5153 6.5895 6.5895 7.1834 7.1834 7.4108 7.4108 7.6795 7.6795 8.4794 8.4794 8.5811 8.5811 k = 0.5547-0.0956-0.2637 ( 8440 PWs) bands (ev): -15.4235 -15.4235 -15.4146 -15.4146 -14.3891 -14.3891 -14.3794 -14.3794 -14.3767 -14.3767 -6.7090 -6.7090 -5.4311 -5.4311 -4.8821 -4.8821 -4.1093 -4.1093 -1.8447 -1.8447 -1.3495 -1.3495 0.6462 0.6462 3.3694 3.3694 3.7390 3.7390 3.9306 3.9306 4.5357 4.5357 4.9066 4.9066 5.0369 5.0369 5.2996 5.2996 5.4112 5.4112 5.5158 5.5158 6.2924 6.2924 6.4510 6.4510 6.5333 6.5333 7.1910 7.1910 7.4542 7.4542 7.7703 7.7703 8.3482 8.3482 8.4759 8.4759 k = 0.5478-0.0740-0.2251 ( 8444 PWs) bands (ev): -15.4236 -15.4236 -15.4146 -15.4146 -14.3892 -14.3892 -14.3794 -14.3794 -14.3768 -14.3768 -6.7270 -6.7270 -5.4476 -5.4476 -4.8959 -4.8959 -4.1191 -4.1191 -1.8472 -1.8472 -1.3419 -1.3419 0.6791 0.6791 3.4017 3.4017 3.7985 3.7985 4.0131 4.0131 4.5879 4.5879 4.9404 4.9404 5.1092 5.1092 5.3395 5.3395 5.4632 5.4632 5.5916 5.5916 6.2364 6.2364 6.3726 6.3726 6.5058 6.5058 7.1945 7.1945 7.5124 7.5124 7.8581 7.8581 8.2156 8.2156 8.3583 8.3583 k = 0.5410-0.0524-0.1864 ( 8440 PWs) bands (ev): -15.4236 -15.4236 -15.4146 -15.4146 -14.3893 -14.3893 -14.3793 -14.3793 -14.3768 -14.3768 -6.7427 -6.7427 -5.4619 -5.4619 -4.9079 -4.9079 -4.1278 -4.1278 -1.8495 -1.8495 -1.3357 -1.3357 0.7087 0.7087 3.4234 3.4234 3.8542 3.8542 4.0967 4.0967 4.6447 4.6447 4.9481 4.9481 5.1994 5.1994 5.3708 5.3708 5.4860 5.4860 5.7017 5.7017 6.1533 6.1533 6.2779 6.2779 6.5194 6.5194 7.1915 7.1915 7.5760 7.5760 7.8961 7.8961 8.1055 8.1055 8.2696 8.2696 k = 0.5342-0.0308-0.1478 ( 8430 PWs) bands (ev): -15.4237 -15.4237 -15.4146 -15.4146 -14.3894 -14.3894 -14.3793 -14.3793 -14.3768 -14.3768 -6.7560 -6.7560 -5.4741 -5.4741 -4.9181 -4.9181 -4.1352 -4.1352 -1.8516 -1.8516 -1.3307 -1.3307 0.7346 0.7346 3.4372 3.4372 3.9041 3.9041 4.1784 4.1784 4.7035 4.7035 4.9523 4.9523 5.2805 5.2805 5.4039 5.4039 5.5023 5.5023 5.8080 5.8080 6.0653 6.0653 6.1790 6.1790 6.5594 6.5594 7.1820 7.1820 7.6327 7.6327 7.8384 7.8384 8.0027 8.0027 8.2815 8.2815 k = 0.5273-0.0092-0.1092 ( 8418 PWs) bands (ev): -15.4237 -15.4237 -15.4146 -15.4146 -14.3895 -14.3895 -14.3792 -14.3792 -14.3769 -14.3769 -6.7669 -6.7669 -5.4841 -5.4841 -4.9265 -4.9265 -4.1414 -4.1414 -1.8534 -1.8534 -1.3269 -1.3269 0.7565 0.7565 3.4458 3.4458 3.9460 3.9460 4.2554 4.2554 4.7574 4.7574 4.9624 4.9624 5.3434 5.3434 5.4361 5.4361 5.5248 5.5248 5.8702 5.8702 5.9887 5.9887 6.1071 6.1071 6.6166 6.6166 7.1662 7.1662 7.6586 7.6586 7.7523 7.7523 7.8926 7.8926 8.3649 8.3649 k = 0.5205 0.0124-0.0706 ( 8400 PWs) bands (ev): -15.4237 -15.4237 -15.4145 -15.4145 -14.3895 -14.3895 -14.3792 -14.3792 -14.3769 -14.3769 -6.7753 -6.7753 -5.4918 -5.4918 -4.9330 -4.9330 -4.1462 -4.1462 -1.8549 -1.8549 -1.3241 -1.3241 0.7739 0.7739 3.4509 3.4509 3.9785 3.9785 4.3244 4.3244 4.7964 4.7964 4.9852 4.9852 5.3908 5.3908 5.4570 5.4570 5.5616 5.5616 5.8413 5.8413 5.9082 5.9082 6.1302 6.1302 6.6839 6.6839 7.1450 7.1450 7.6107 7.6107 7.6834 7.6834 7.8326 7.8326 8.4620 8.4620 k = 0.5137 0.0340-0.0320 ( 8402 PWs) bands (ev): -15.4237 -15.4237 -15.4145 -15.4145 -14.3896 -14.3896 -14.3792 -14.3792 -14.3769 -14.3769 -6.7814 -6.7814 -5.4974 -5.4974 -4.9377 -4.9377 -4.1497 -4.1497 -1.8560 -1.8560 -1.3221 -1.3221 0.7865 0.7865 3.4537 3.4537 4.0014 4.0014 4.3807 4.3807 4.8156 4.8156 5.0195 5.0195 5.4189 5.4189 5.4825 5.4825 5.6038 5.6038 5.7768 5.7768 5.8183 5.8183 6.2000 6.2000 6.7502 6.7502 7.1231 7.1231 7.5441 7.5441 7.5898 7.5898 7.8368 7.8368 8.5496 8.5496 k = 0.5068 0.0556 0.0067 ( 8406 PWs) bands (ev): -15.4238 -15.4238 -15.4145 -15.4145 -14.3896 -14.3896 -14.3792 -14.3792 -14.3769 -14.3769 -6.7850 -6.7850 -5.5007 -5.5007 -4.9405 -4.9405 -4.1518 -4.1518 -1.8567 -1.8567 -1.3210 -1.3210 0.7942 0.7942 3.4551 3.4551 4.0149 4.0149 4.4184 4.4184 4.8217 4.8217 5.0510 5.0510 5.4219 5.4219 5.5360 5.5360 5.6400 5.6400 5.6964 5.6964 5.7553 5.7553 6.2576 6.2576 6.7987 6.7987 7.1108 7.1108 7.4860 7.4860 7.5216 7.5216 7.8496 7.8496 8.6121 8.6121 k = 0.5000 0.0772 0.0453 ( 8416 PWs) bands (ev): -15.4238 -15.4238 -15.4145 -15.4145 -14.3896 -14.3896 -14.3791 -14.3791 -14.3769 -14.3769 -6.7862 -6.7862 -5.5018 -5.5018 -4.9414 -4.9414 -4.1525 -4.1525 -1.8569 -1.8569 -1.3206 -1.3206 0.7967 0.7967 3.4555 3.4555 4.0194 4.0194 4.4318 4.4318 4.8226 4.8226 5.0638 5.0638 5.4200 5.4200 5.6051 5.6051 5.6126 5.6126 5.6623 5.6623 5.7303 5.7303 6.2797 6.2797 6.8155 6.8155 7.1095 7.1095 7.4552 7.4552 7.5036 7.5036 7.8547 7.8547 8.6350 8.6350 k = 0.5000 0.0772 0.0453 ( 8416 PWs) bands (ev): -15.4238 -15.4238 -15.4145 -15.4145 -14.3896 -14.3896 -14.3791 -14.3791 -14.3769 -14.3769 -6.7862 -6.7862 -5.5018 -5.5018 -4.9414 -4.9414 -4.1525 -4.1525 -1.8569 -1.8569 -1.3206 -1.3206 0.7967 0.7967 3.4555 3.4555 4.0194 4.0194 4.4318 4.4318 4.8226 4.8226 5.0638 5.0638 5.4200 5.4200 5.6051 5.6051 5.6126 5.6126 5.6623 5.6623 5.7303 5.7303 6.2797 6.2797 6.8155 6.8155 7.1095 7.1095 7.4552 7.4552 7.5036 7.5036 7.8547 7.8547 8.6350 8.6350 k = 0.4583 0.0708 0.0415 ( 8404 PWs) bands (ev): -15.4238 -15.4238 -15.4145 -15.4145 -14.3896 -14.3896 -14.3791 -14.3791 -14.3769 -14.3769 -6.7863 -6.7863 -5.5002 -5.5002 -4.9458 -4.9458 -4.1480 -4.1480 -1.8710 -1.8710 -1.3051 -1.3051 0.7917 0.7917 3.4593 3.4593 4.0204 4.0204 4.4318 4.4318 4.8189 4.8189 5.0662 5.0662 5.4107 5.4107 5.5924 5.5924 5.6116 5.6116 5.6845 5.6845 5.7321 5.7321 6.2779 6.2779 6.8170 6.8170 7.0980 7.0980 7.4586 7.4586 7.5162 7.5162 7.8515 7.8515 8.6284 8.6284 k = 0.4167 0.0643 0.0377 ( 8386 PWs) bands (ev): -15.4238 -15.4238 -15.4145 -15.4145 -14.3896 -14.3896 -14.3791 -14.3791 -14.3769 -14.3769 -6.7864 -6.7864 -5.4953 -5.4953 -4.9584 -4.9584 -4.1349 -4.1349 -1.9088 -1.9088 -1.2629 -1.2629 0.7768 0.7768 3.4705 3.4705 4.0233 4.0233 4.4317 4.4317 4.8080 4.8080 5.0730 5.0730 5.3861 5.3861 5.5739 5.5739 5.6088 5.6088 5.7286 5.7286 5.7373 5.7373 6.2726 6.2726 6.8205 6.8205 7.0682 7.0682 7.4687 7.4687 7.5493 7.5493 7.8426 7.8426 8.6092 8.6092 k = 0.3750 0.0579 0.0340 ( 8407 PWs) bands (ev): -15.4238 -15.4238 -15.4145 -15.4145 -14.3896 -14.3896 -14.3791 -14.3791 -14.3769 -14.3769 -6.7867 -6.7867 -5.4872 -5.4872 -4.9783 -4.9783 -4.1145 -4.1145 -1.9613 -1.9613 -1.2032 -1.2032 0.7528 0.7528 3.4881 3.4881 4.0284 4.0284 4.4317 4.4317 4.7906 4.7906 5.0836 5.0836 5.3530 5.3530 5.5572 5.5572 5.6047 5.6047 5.7454 5.7454 5.7808 5.7808 6.2641 6.2641 6.8230 6.8230 7.0307 7.0307 7.4851 7.4851 7.5928 7.5928 7.8311 7.8311 8.5793 8.5793 k = 0.3333 0.0515 0.0302 ( 8398 PWs) bands (ev): -15.4238 -15.4238 -15.4145 -15.4145 -14.3896 -14.3896 -14.3791 -14.3791 -14.3769 -14.3769 -6.7870 -6.7870 -5.4759 -5.4759 -5.0041 -5.0041 -4.0884 -4.0884 -2.0206 -2.0206 -1.1339 -1.1339 0.7209 0.7209 3.5111 3.5111 4.0360 4.0360 4.4317 4.4317 4.7674 4.7674 5.0968 5.0968 5.3171 5.3171 5.5412 5.5412 5.5999 5.5999 5.7556 5.7556 5.8370 5.8370 6.2529 6.2529 6.8177 6.8177 6.9980 6.9980 7.5071 7.5071 7.6343 7.6343 7.8246 7.8246 8.5409 8.5409 k = 0.2917 0.0450 0.0264 ( 8413 PWs) bands (ev): -15.4238 -15.4238 -15.4145 -15.4145 -14.3896 -14.3896 -14.3791 -14.3791 -14.3769 -14.3769 -6.7873 -6.7873 -5.4615 -5.4615 -5.0344 -5.0344 -4.0588 -4.0588 -2.0816 -2.0816 -1.0605 -1.0605 0.6827 0.6827 3.5376 3.5376 4.0462 4.0462 4.4317 4.4317 4.7391 4.7391 5.1118 5.1118 5.2823 5.2823 5.5248 5.5248 5.5949 5.5949 5.7671 5.7671 5.8957 5.8957 6.2398 6.2398 6.7953 6.7953 6.9825 6.9825 7.5339 7.5339 7.6570 7.6570 7.8375 7.8375 8.4967 8.4967 k = 0.2500 0.0386 0.0226 ( 8422 PWs) bands (ev): -15.4238 -15.4238 -15.4145 -15.4145 -14.3896 -14.3896 -14.3791 -14.3791 -14.3769 -14.3769 -6.7877 -6.7877 -5.4441 -5.4441 -5.0677 -5.0677 -4.0275 -4.0275 -2.1407 -2.1407 -0.9867 -0.9867 0.6402 0.6402 3.5658 3.5658 4.0594 4.0594 4.4317 4.4317 4.7067 4.7067 5.1277 5.1277 5.2508 5.2508 5.5080 5.5080 5.5901 5.5901 5.7794 5.7794 5.9556 5.9556 6.2255 6.2255 6.7541 6.7541 6.9870 6.9870 7.5642 7.5642 7.6516 7.6516 7.8787 7.8787 8.4491 8.4491 k = 0.2083 0.0322 0.0189 ( 8434 PWs) bands (ev): -15.4238 -15.4238 -15.4145 -15.4145 -14.3896 -14.3896 -14.3791 -14.3791 -14.3769 -14.3769 -6.7880 -6.7880 -5.4239 -5.4239 -5.1030 -5.1030 -3.9966 -3.9966 -2.1954 -2.1954 -0.9159 -0.9159 0.5959 0.5959 3.5936 3.5936 4.0757 4.0757 4.4317 4.4317 4.6712 4.6712 5.1435 5.1435 5.2239 5.2239 5.4909 5.4909 5.5858 5.5858 5.7917 5.7917 6.0162 6.0162 6.2108 6.2108 6.7014 6.7014 7.0043 7.0043 7.5968 7.5968 7.6285 7.6285 7.9386 7.9386 8.4007 8.4007 k = 0.1667 0.0257 0.0151 ( 8443 PWs) bands (ev): -15.4238 -15.4238 -15.4145 -15.4145 -14.3896 -14.3896 -14.3791 -14.3791 -14.3769 -14.3769 -6.7884 -6.7884 -5.4011 -5.4011 -5.1391 -5.1391 -3.9680 -3.9680 -2.2434 -2.2434 -0.8511 -0.8511 0.5524 0.5524 3.6191 3.6191 4.0947 4.0947 4.4317 4.4317 4.6345 4.6345 5.1577 5.1577 5.2030 5.2030 5.4744 5.4744 5.5820 5.5820 5.8033 5.8033 6.0765 6.0765 6.1969 6.1969 6.6440 6.6440 7.0275 7.0275 7.5986 7.5986 7.6298 7.6298 8.0074 8.0074 8.3541 8.3541 k = 0.1250 0.0193 0.0113 ( 8446 PWs) bands (ev): -15.4238 -15.4238 -15.4145 -15.4145 -14.3896 -14.3896 -14.3791 -14.3791 -14.3769 -14.3769 -6.7887 -6.7887 -5.3758 -5.3758 -5.1752 -5.1752 -3.9435 -3.9435 -2.2829 -2.2829 -0.7954 -0.7954 0.5132 0.5132 3.6404 3.6404 4.1151 4.1151 4.4316 4.4316 4.5991 4.5991 5.1662 5.1662 5.1915 5.1915 5.4594 5.4594 5.5790 5.5790 5.8136 5.8136 6.1353 6.1353 6.1845 6.1845 6.5858 6.5858 7.0519 7.0519 7.5683 7.5683 7.6608 7.6608 8.0807 8.0807 8.3119 8.3119 k = 0.0833 0.0129 0.0075 ( 8422 PWs) bands (ev): -15.4238 -15.4238 -15.4145 -15.4145 -14.3896 -14.3896 -14.3791 -14.3791 -14.3769 -14.3769 -6.7889 -6.7889 -5.3486 -5.3486 -5.2105 -5.2105 -3.9246 -3.9246 -2.3125 -2.3125 -0.7523 -0.7523 0.4816 0.4816 3.6563 3.6563 4.1343 4.1343 4.4316 4.4316 4.5686 4.5686 5.1633 5.1633 5.1938 5.1938 5.4471 5.4471 5.5768 5.5768 5.8217 5.8217 6.1747 6.1747 6.1901 6.1901 6.5309 6.5309 7.0735 7.0735 7.5422 7.5422 7.6870 7.6870 8.1563 8.1563 8.2777 8.2777 k = 0.0417 0.0064 0.0038 ( 8410 PWs) bands (ev): -15.4238 -15.4238 -15.4145 -15.4145 -14.3896 -14.3896 -14.3791 -14.3791 -14.3769 -14.3769 -6.7890 -6.7890 -5.3208 -5.3208 -5.2432 -5.2432 -3.9127 -3.9127 -2.3308 -2.3308 -0.7247 -0.7247 0.4609 0.4609 3.6662 3.6662 4.1486 4.1486 4.4316 4.4316 4.5473 4.5473 5.1581 5.1581 5.1994 5.1994 5.4390 5.4390 5.5754 5.5754 5.8269 5.8269 6.1684 6.1684 6.2344 6.2344 6.4863 6.4863 7.0886 7.0886 7.5243 7.5243 7.7048 7.7048 8.2332 8.2332 8.2549 8.2549 k = 0.0000 0.0000 0.0000 ( 8391 PWs) bands (ev): -15.4238 -15.4238 -15.4145 -15.4145 -14.3896 -14.3896 -14.3791 -14.3791 -14.3769 -14.3769 -6.7891 -6.7891 -5.3030 -5.3030 -5.2627 -5.2627 -3.9087 -3.9087 -2.3370 -2.3370 -0.7152 -0.7152 0.4537 0.4537 3.6695 3.6695 4.1540 4.1540 4.4316 4.4316 4.5395 4.5395 5.1562 5.1562 5.2017 5.2017 5.4361 5.4361 5.5750 5.5750 5.8288 5.8288 6.1663 6.1663 6.2533 6.2533 6.4673 6.4673 7.0941 7.0941 7.5179 7.5179 7.7111 7.7111 8.2469 8.2469 8.3009 8.3009 k = 0.0000 0.0000 0.0000 ( 8391 PWs) bands (ev): -15.4238 -15.4238 -15.4145 -15.4145 -14.3896 -14.3896 -14.3791 -14.3791 -14.3769 -14.3769 -6.7891 -6.7891 -5.3030 -5.3030 -5.2627 -5.2627 -3.9087 -3.9087 -2.3370 -2.3370 -0.7152 -0.7152 0.4537 0.4537 3.6695 3.6695 4.1540 4.1540 4.4316 4.4316 4.5395 4.5395 5.1562 5.1562 5.2017 5.2017 5.4361 5.4361 5.5750 5.5750 5.8288 5.8288 6.1663 6.1663 6.2533 6.2533 6.4673 6.4673 7.0941 7.0941 7.5179 7.5179 7.7111 7.7111 8.2469 8.2469 8.3009 8.3009 k = 0.0069-0.0217-0.0388 ( 8411 PWs) bands (ev): -15.4238 -15.4238 -15.4145 -15.4145 -14.3896 -14.3896 -14.3792 -14.3792 -14.3769 -14.3769 -6.7879 -6.7879 -5.3019 -5.3019 -5.2616 -5.2616 -3.9082 -3.9082 -2.3362 -2.3362 -0.7171 -0.7171 0.4532 0.4532 3.6628 3.6628 4.1401 4.1401 4.4374 4.4374 4.5383 4.5383 5.1608 5.1608 5.1918 5.1918 5.4199 5.4199 5.5793 5.5793 5.8212 5.8212 6.1384 6.1384 6.2697 6.2697 6.5048 6.5048 7.0890 7.0890 7.4884 7.4884 7.7233 7.7233 8.1915 8.1915 8.3190 8.3190 k = 0.0137-0.0433-0.0775 ( 8413 PWs) bands (ev): -15.4237 -15.4237 -15.4145 -15.4145 -14.3896 -14.3896 -14.3792 -14.3792 -14.3769 -14.3769 -6.7842 -6.7842 -5.2988 -5.2988 -5.2584 -5.2584 -3.9067 -3.9067 -2.3339 -2.3339 -0.7226 -0.7226 0.4515 0.4515 3.6431 3.6431 4.1043 4.1043 4.4419 4.4419 4.5413 4.5413 5.1499 5.1499 5.1870 5.1870 5.3746 5.3746 5.5924 5.5924 5.8024 5.8024 6.0814 6.0814 6.3119 6.3119 6.5846 6.5846 7.0779 7.0779 7.4239 7.4239 7.7417 7.7417 8.1253 8.1253 8.3736 8.3736 k = 0.0206-0.0650-0.1163 ( 8423 PWs) bands (ev): -15.4237 -15.4237 -15.4145 -15.4145 -14.3895 -14.3895 -14.3792 -14.3792 -14.3769 -14.3769 -6.7781 -6.7781 -5.2936 -5.2936 -5.2530 -5.2530 -3.9043 -3.9043 -2.3300 -2.3300 -0.7318 -0.7318 0.4487 0.4487 3.6113 3.6113 4.0560 4.0560 4.4270 4.4270 4.5564 4.5564 5.1016 5.1016 5.2080 5.2080 5.3107 5.3107 5.6138 5.6138 5.7777 5.7777 6.0250 6.0250 6.3585 6.3585 6.6643 6.6643 7.0748 7.0748 7.3570 7.3570 7.7512 7.7512 8.0761 8.0761 8.4504 8.4505 k = 0.0274-0.0867-0.1550 ( 8423 PWs) bands (ev): -15.4237 -15.4237 -15.4146 -15.4146 -14.3895 -14.3895 -14.3792 -14.3792 -14.3769 -14.3769 -6.7695 -6.7695 -5.2863 -5.2863 -5.2454 -5.2454 -3.9010 -3.9010 -2.3246 -2.3246 -0.7447 -0.7447 0.4447 0.4447 3.5691 3.5691 4.0012 4.0012 4.3947 4.3947 4.5725 4.5725 5.0413 5.0413 5.1964 5.1964 5.2745 5.2745 5.6428 5.6428 5.7501 5.7501 5.9783 5.9783 6.3854 6.3854 6.7119 6.7119 7.0986 7.0986 7.3165 7.3165 7.7529 7.7529 8.0441 8.0441 8.5309 8.5309 k = 0.0343-0.1084-0.1938 ( 8421 PWs) bands (ev): -15.4237 -15.4237 -15.4146 -15.4146 -14.3894 -14.3894 -14.3793 -14.3793 -14.3768 -14.3768 -6.7586 -6.7586 -5.2769 -5.2769 -5.2358 -5.2358 -3.8968 -3.8968 -2.3178 -2.3178 -0.7612 -0.7612 0.4395 0.4395 3.5184 3.5184 3.9421 3.9421 4.3524 4.3524 4.5729 4.5729 4.9791 4.9791 5.1190 5.1190 5.3043 5.3043 5.6773 5.6773 5.7219 5.7219 5.9405 5.9405 6.3764 6.3764 6.7079 6.7079 7.1528 7.1528 7.3334 7.3334 7.7522 7.7522 8.0253 8.0253 8.5887 8.5887 k = 0.0411-0.1300-0.2325 ( 8423 PWs) bands (ev): -15.4236 -15.4236 -15.4146 -15.4146 -14.3893 -14.3893 -14.3793 -14.3793 -14.3768 -14.3768 -6.7452 -6.7452 -5.2655 -5.2655 -5.2240 -5.2240 -3.8918 -3.8918 -2.3095 -2.3095 -0.7815 -0.7815 0.4329 0.4329 3.4612 3.4612 3.8797 3.8797 4.3038 4.3038 4.5464 4.5464 4.9172 4.9172 5.0408 5.0408 5.3464 5.3464 5.6856 5.6856 5.7238 5.7238 5.9077 5.9077 6.3334 6.3334 6.6555 6.6555 7.2297 7.2297 7.4131 7.4131 7.7544 7.7544 8.0155 8.0155 8.6013 8.6013 k = 0.0480-0.1517-0.2713 ( 8429 PWs) bands (ev): -15.4236 -15.4236 -15.4146 -15.4146 -14.3892 -14.3892 -14.3794 -14.3794 -14.3768 -14.3768 -6.7294 -6.7294 -5.2521 -5.2521 -5.2101 -5.2101 -3.8860 -3.8860 -2.2999 -2.2999 -0.8054 -0.8054 0.4249 0.4249 3.3993 3.3993 3.8140 3.8140 4.2501 4.2501 4.4912 4.4912 4.8443 4.8443 4.9879 4.9879 5.3890 5.3890 5.6542 5.6542 5.7659 5.7659 5.8769 5.8769 6.2722 6.2722 6.5727 6.5727 7.3284 7.3284 7.5257 7.5257 7.7648 7.7648 8.0117 8.0117 8.5748 8.5748 k = 0.0549-0.1734-0.3101 ( 8435 PWs) bands (ev): -15.4235 -15.4235 -15.4146 -15.4146 -14.3891 -14.3891 -14.3794 -14.3794 -14.3767 -14.3767 -6.7112 -6.7112 -5.2366 -5.2366 -5.1942 -5.1942 -3.8795 -3.8795 -2.2890 -2.2890 -0.8330 -0.8330 0.4153 0.4153 3.3344 3.3344 3.7451 3.7451 4.1916 4.1916 4.4150 4.4150 4.7583 4.7583 4.9615 4.9615 5.4231 5.4231 5.6180 5.6180 5.8044 5.8044 5.8527 5.8527 6.2096 6.2096 6.4778 6.4778 7.4416 7.4416 7.6388 7.6388 7.7949 7.7949 8.0137 8.0137 8.5253 8.5253 k = 0.0617-0.1951-0.3488 ( 8445 PWs) bands (ev): -15.4234 -15.4234 -15.4146 -15.4146 -14.3890 -14.3890 -14.3795 -14.3795 -14.3767 -14.3767 -6.6906 -6.6906 -5.2192 -5.2192 -5.1762 -5.1762 -3.8724 -3.8724 -2.2769 -2.2769 -0.8642 -0.8642 0.4041 0.4041 3.2675 3.2675 3.6730 3.6730 4.1280 4.1280 4.3275 4.3275 4.6698 4.6698 4.9467 4.9467 5.4325 5.4325 5.5773 5.5773 5.8083 5.8083 5.8691 5.8691 6.1572 6.1572 6.3856 6.3856 7.5547 7.5547 7.7209 7.7209 7.8626 7.8626 8.0291 8.0291 8.4648 8.4648 k = 0.0686-0.2167-0.3876 ( 8447 PWs) bands (ev): -15.4234 -15.4234 -15.4146 -15.4146 -14.3889 -14.3889 -14.3796 -14.3796 -14.3766 -14.3766 -6.6677 -6.6677 -5.1999 -5.1999 -5.1562 -5.1562 -3.8647 -3.8647 -2.2638 -2.2638 -0.8989 -0.8989 0.3911 0.3911 3.1994 3.1994 3.5975 3.5975 4.0596 4.0596 4.2355 4.2355 4.5856 4.5856 4.9339 4.9339 5.3989 5.3989 5.5296 5.5296 5.8119 5.8119 5.9015 5.9015 6.1188 6.1188 6.3101 6.3101 7.6417 7.6417 7.7875 7.7875 7.9309 7.9309 8.0891 8.0891 8.4036 8.4036 k = 0.0754-0.2384-0.4263 ( 8447 PWs) bands (ev): -15.4233 -15.4233 -15.4146 -15.4146 -14.3888 -14.3888 -14.3797 -14.3797 -14.3765 -14.3765 -6.6424 -6.6424 -5.1786 -5.1786 -5.1342 -5.1342 -3.8566 -3.8566 -2.2497 -2.2497 -0.9371 -0.9371 0.3764 0.3764 3.1305 3.1305 3.5186 3.5186 3.9873 3.9873 4.1438 4.1438 4.5083 4.5083 4.9192 4.9192 5.3235 5.3235 5.4677 5.4677 5.8381 5.8381 5.9232 5.9232 6.0911 6.0911 6.2672 6.2672 7.6862 7.6862 7.8436 7.8436 7.9880 7.9880 8.1948 8.1948 8.3590 8.3590 k = 0.0823-0.2601-0.4651 ( 8451 PWs) bands (ev): -15.4232 -15.4232 -15.4146 -15.4146 -14.3886 -14.3886 -14.3797 -14.3797 -14.3765 -14.3765 -6.6148 -6.6148 -5.1555 -5.1555 -5.1103 -5.1103 -3.8482 -3.8482 -2.2348 -2.2348 -0.9785 -0.9785 0.3597 0.3597 3.0610 3.0610 3.4359 3.4359 3.9128 3.9128 4.0553 4.0553 4.4384 4.4384 4.9004 4.9004 5.2216 5.2216 5.3882 5.3882 5.8622 5.8622 5.9433 5.9433 6.0708 6.0708 6.2656 6.2656 7.7046 7.7046 7.8415 7.8415 8.0889 8.0889 8.2448 8.2448 8.3985 8.3985 k = 0.0891-0.2818-0.5039 ( 8457 PWs) bands (ev): -15.4231 -15.4231 -15.4146 -15.4146 -14.3885 -14.3885 -14.3798 -14.3798 -14.3764 -14.3764 -6.5849 -6.5849 -5.1305 -5.1305 -5.0846 -5.0846 -3.8397 -3.8397 -2.2193 -2.2193 -1.0231 -1.0231 0.3412 0.3412 2.9909 2.9909 3.3494 3.3494 3.8383 3.8383 3.9720 3.9720 4.3753 4.3753 4.8759 4.8759 5.1061 5.1061 5.2927 5.2927 5.8536 5.8536 5.9840 5.9840 6.0626 6.0626 6.2955 6.2955 7.6994 7.6994 7.8136 7.8136 8.1915 8.1915 8.2250 8.2250 8.4758 8.4758 k = 0.0960-0.3034-0.5426 ( 8457 PWs) bands (ev): -15.4230 -15.4230 -15.4146 -15.4146 -14.3884 -14.3884 -14.3799 -14.3799 -14.3763 -14.3763 -6.5527 -6.5527 -5.1038 -5.1038 -5.0570 -5.0570 -3.8311 -3.8311 -2.2034 -2.2034 -1.0707 -1.0707 0.3207 0.3207 2.9202 2.9202 3.2592 3.2592 3.7659 3.7659 3.8955 3.8955 4.3178 4.3178 4.8418 4.8418 4.9879 4.9879 5.1844 5.1844 5.8273 5.8273 6.0142 6.0142 6.0865 6.0865 6.3426 6.3426 7.6545 7.6545 7.8001 7.8001 8.1685 8.1685 8.2533 8.2533 8.5022 8.5022 k = 0.1029-0.3251-0.5814 ( 8463 PWs) bands (ev): -15.4229 -15.4229 -15.4147 -15.4147 -14.3882 -14.3882 -14.3800 -14.3800 -14.3762 -14.3762 -6.5183 -6.5183 -5.0754 -5.0754 -5.0277 -5.0277 -3.8227 -3.8227 -2.1872 -2.1872 -1.1209 -1.1209 0.2984 0.2984 2.8487 2.8487 3.1655 3.1655 3.6971 3.6971 3.8270 3.8270 4.2649 4.2649 4.7816 4.7816 4.8871 4.8871 5.0672 5.0672 5.7978 5.7978 6.0176 6.0176 6.1445 6.1445 6.3978 6.3978 7.5781 7.5781 7.8032 7.8032 8.0890 8.0890 8.2544 8.2544 8.6071 8.6071 k = 0.1097-0.3468-0.6201 ( 8449 PWs) bands (ev): -15.4228 -15.4228 -15.4147 -15.4147 -14.3881 -14.3881 -14.3801 -14.3801 -14.3761 -14.3761 -6.4816 -6.4816 -5.0453 -5.0453 -4.9967 -4.9967 -3.8145 -3.8145 -2.1710 -2.1710 -1.1736 -1.1736 0.2743 0.2743 2.7764 2.7764 3.0690 3.0690 3.6328 3.6328 3.7670 3.7670 4.2157 4.2157 4.6766 4.6766 4.8240 4.8240 4.9457 4.9457 5.7689 5.7689 6.0149 6.0149 6.2092 6.2092 6.4561 6.4561 7.4895 7.4895 7.8061 7.8061 7.9935 7.9935 8.2548 8.2548 8.7407 8.7407 k = 0.1166-0.3685-0.6589 ( 8455 PWs) bands (ev): -15.4227 -15.4227 -15.4147 -15.4147 -14.3880 -14.3880 -14.3802 -14.3802 -14.3760 -14.3760 -6.4428 -6.4428 -5.0136 -5.0136 -4.9641 -4.9641 -3.8069 -3.8069 -2.1550 -2.1550 -1.2284 -1.2284 0.2487 0.2487 2.7033 2.7033 2.9706 2.9706 3.5735 3.5735 3.7158 3.7158 4.1695 4.1695 4.5513 4.5513 4.7667 4.7667 4.8321 4.8321 5.7415 5.7415 6.0112 6.0112 6.2704 6.2704 6.5142 6.5142 7.3993 7.3993 7.7817 7.7817 7.9211 7.9211 8.2611 8.2611 8.8796 8.8796 k = 0.1234-0.3901-0.6976 ( 8457 PWs) bands (ev): -15.4226 -15.4226 -15.4147 -15.4147 -14.3878 -14.3878 -14.3803 -14.3803 -14.3760 -14.3760 -6.4019 -6.4019 -4.9804 -4.9804 -4.9299 -4.9299 -3.8000 -3.8000 -2.1395 -2.1395 -1.2851 -1.2851 0.2216 0.2216 2.6298 2.6298 2.8713 2.8713 3.5189 3.5189 3.6732 3.6732 4.1258 4.1258 4.4223 4.4223 4.6662 4.6662 4.7628 4.7628 5.7150 5.7150 6.0069 6.0069 6.3226 6.3226 6.5689 6.5689 7.3155 7.3155 7.7037 7.7037 7.9053 7.9053 8.2715 8.2715 9.0166 9.0166 k = 0.1303-0.4118-0.7364 ( 8463 PWs) bands (ev): -15.4225 -15.4225 -15.4147 -15.4147 -14.3877 -14.3877 -14.3803 -14.3803 -14.3759 -14.3759 -6.3589 -6.3589 -4.9457 -4.9457 -4.8944 -4.8944 -3.7939 -3.7939 -2.1248 -2.1248 -1.3432 -1.3432 0.1934 0.1934 2.5561 2.5561 2.7721 2.7721 3.4684 3.4684 3.6386 3.6386 4.0833 4.0833 4.2949 4.2949 4.5419 4.5419 4.7171 4.7171 5.6891 5.6891 6.0019 6.0019 6.3594 6.3594 6.6161 6.6161 7.2460 7.2460 7.6068 7.6068 7.9168 7.9168 8.2848 8.2848 9.1479 9.1479 k = 0.1371-0.4335-0.7752 ( 8455 PWs) bands (ev): -15.4224 -15.4224 -15.4147 -15.4147 -14.3876 -14.3876 -14.3804 -14.3804 -14.3757 -14.3757 -6.3138 -6.3138 -4.9098 -4.9098 -4.8575 -4.8575 -3.7890 -3.7890 -2.1112 -2.1112 -1.4024 -1.4024 0.1644 0.1644 2.4828 2.4828 2.6741 2.6741 3.4212 3.4212 3.6115 3.6115 4.0381 4.0381 4.1747 4.1747 4.4157 4.4157 4.6744 4.6744 5.6632 5.6632 5.9958 5.9958 6.3739 6.3739 6.6501 6.6501 7.1993 7.1993 7.5168 7.5168 7.9361 7.9361 8.3000 8.3000 9.2699 9.2699 k = 0.1440-0.4552-0.8139 ( 8469 PWs) bands (ev): -15.4223 -15.4223 -15.4147 -15.4147 -14.3874 -14.3874 -14.3805 -14.3805 -14.3756 -14.3756 -6.2668 -6.2668 -4.8726 -4.8726 -4.8195 -4.8195 -3.7854 -3.7854 -2.0990 -2.0990 -1.4623 -1.4623 0.1349 0.1349 2.4105 2.4105 2.5780 2.5780 3.3761 3.3761 3.5907 3.5907 3.9747 3.9747 4.0768 4.0768 4.2932 4.2932 4.6319 4.6319 5.6370 5.6370 5.9883 5.9883 6.3604 6.3604 6.6636 6.6636 7.1819 7.1819 7.4460 7.4460 7.9587 7.9587 8.3166 8.3166 9.3788 9.3788 k = 0.1509-0.4768-0.8527 ( 8463 PWs) bands (ev): -15.4222 -15.4222 -15.4147 -15.4147 -14.3873 -14.3873 -14.3806 -14.3806 -14.3755 -14.3755 -6.2179 -6.2179 -4.8342 -4.8342 -4.7804 -4.7804 -3.7834 -3.7834 -2.0885 -2.0885 -1.5226 -1.5226 0.1053 0.1053 2.3396 2.3396 2.4848 2.4848 3.3318 3.3318 3.5753 3.5753 3.8771 3.8771 4.0129 4.0129 4.1818 4.1818 4.5894 4.5894 5.6102 5.6102 5.9787 5.9787 6.3187 6.3187 6.6497 6.6497 7.1946 7.1946 7.4038 7.4038 7.9831 7.9831 8.3342 8.3342 9.4701 9.4701 k = 0.1577-0.4985-0.8914 ( 8463 PWs) bands (ev): -15.4220 -15.4220 -15.4148 -15.4148 -14.3872 -14.3872 -14.3806 -14.3806 -14.3754 -14.3754 -6.1671 -6.1671 -4.7948 -4.7948 -4.7403 -4.7403 -3.7831 -3.7831 -2.0801 -2.0801 -1.5827 -1.5827 0.0759 0.0759 2.2709 2.2709 2.3951 2.3951 3.2871 3.2871 3.5631 3.5631 3.7660 3.7660 3.9477 3.9477 4.0991 4.0991 4.5472 4.5472 5.5824 5.5824 5.9661 5.9661 6.2545 6.2545 6.6056 6.6056 7.2316 7.2316 7.3948 7.3948 8.0086 8.0086 8.3525 8.3525 9.5397 9.5397 k = 0.1646-0.5202-0.9302 ( 8473 PWs) bands (ev): -15.4219 -15.4219 -15.4148 -15.4148 -14.3871 -14.3871 -14.3807 -14.3807 -14.3753 -14.3753 -6.1145 -6.1145 -4.7545 -4.7545 -4.6995 -4.6995 -3.7849 -3.7849 -2.0740 -2.0740 -1.6424 -1.6424 0.0471 0.0471 2.2048 2.2048 2.3095 2.3095 3.2410 3.2410 3.5484 3.5484 3.6592 3.6592 3.8555 3.8555 4.0590 4.0590 4.5062 4.5062 5.5535 5.5535 5.9489 5.9489 6.1765 6.1765 6.5355 6.5355 7.2857 7.2857 7.4160 7.4160 8.0351 8.0351 8.3713 8.3713 9.5849 9.5849 k = 0.1714-0.5418-0.9690 ( 8479 PWs) bands (ev): -15.4218 -15.4218 -15.4148 -15.4148 -14.3870 -14.3870 -14.3807 -14.3807 -14.3752 -14.3752 -6.0602 -6.0602 -4.7135 -4.7135 -4.6581 -4.6581 -3.7889 -3.7889 -2.0706 -2.0706 -1.7012 -1.7012 0.0193 0.0193 2.1417 2.1417 2.2287 2.2287 3.1926 3.1926 3.5020 3.5020 3.5876 3.5876 3.7493 3.7493 4.0469 4.0469 4.4672 4.4672 5.5233 5.5233 5.9231 5.9231 6.0948 6.0948 6.4470 6.4470 7.3511 7.3511 7.4600 7.4600 8.0621 8.0621 8.3904 8.3904 9.6055 9.6055 k = 0.1783-0.5635-1.0077 ( 8475 PWs) bands (ev): -15.4217 -15.4217 -15.4148 -15.4148 -14.3869 -14.3869 -14.3808 -14.3808 -14.3751 -14.3751 -6.0043 -6.0043 -4.6718 -4.6718 -4.6164 -4.6164 -3.7952 -3.7952 -2.0700 -2.0700 -1.7588 -1.7588 -0.0073 -0.0073 2.0822 2.0822 2.1531 2.1531 3.1416 3.1416 3.4082 3.4082 3.5619 3.5619 3.6460 3.6460 4.0504 4.0504 4.4313 4.4313 5.4916 5.4916 5.8797 5.8797 6.0229 6.0229 6.3474 6.3474 7.4239 7.4239 7.5197 7.5197 8.0896 8.0896 8.4095 8.4095 9.6033 9.6033 k = 0.1851-0.5852-1.0465 ( 8491 PWs) bands (ev): -15.4216 -15.4216 -15.4148 -15.4148 -14.3868 -14.3868 -14.3808 -14.3808 -14.3750 -14.3750 -5.9468 -5.9468 -4.6296 -4.6296 -4.5745 -4.5745 -3.8042 -3.8042 -2.0725 -2.0725 -1.8147 -1.8147 -0.0324 -0.0324 2.0264 2.0264 2.0833 2.0833 3.0877 3.0877 3.3064 3.3064 3.5057 3.5057 3.5857 3.5857 4.0647 4.0647 4.3998 4.3998 5.4583 5.4583 5.8104 5.8104 5.9717 5.9717 6.2421 6.2421 7.5017 7.5017 7.5896 7.5896 8.1174 8.1174 8.4286 8.4286 9.5816 9.5816 k = 0.1920-0.6069-1.0852 ( 8487 PWs) bands (ev): -15.4215 -15.4215 -15.4148 -15.4148 -14.3867 -14.3867 -14.3809 -14.3809 -14.3749 -14.3749 -5.8879 -5.8879 -4.5871 -4.5871 -4.5327 -4.5327 -3.8157 -3.8157 -2.0781 -2.0781 -1.8688 -1.8688 -0.0558 -0.0558 1.9746 1.9746 2.0197 2.0197 3.0311 3.0311 3.2069 3.2069 3.4073 3.4073 3.5705 3.5705 4.0880 4.0880 4.3739 4.3739 5.4231 5.4231 5.7233 5.7233 5.9349 5.9349 6.1352 6.1352 7.5831 7.5831 7.6663 7.6663 8.1455 8.1455 8.4476 8.4476 9.5441 9.5441 k = 0.1989-0.6285-1.1240 ( 8483 PWs) bands (ev): -15.4214 -15.4214 -15.4148 -15.4148 -14.3866 -14.3866 -14.3810 -14.3810 -14.3748 -14.3748 -5.8277 -5.8277 -4.5445 -4.5445 -4.4913 -4.4913 -3.8300 -3.8300 -2.0870 -2.0870 -1.9205 -1.9205 -0.0776 -0.0776 1.9269 1.9269 1.9627 1.9627 2.9719 2.9719 3.1118 3.1118 3.3061 3.3061 3.5589 3.5589 4.1190 4.1190 4.3549 4.3549 5.3859 5.3859 5.6303 5.6303 5.9001 5.9001 6.0313 6.0313 7.6669 7.6669 7.7472 7.7472 8.1739 8.1739 8.4661 8.4661 9.4943 9.4943 k = 0.2057-0.6502-1.1627 ( 8489 PWs) bands (ev): -15.4213 -15.4213 -15.4148 -15.4148 -14.3864 -14.3864 -14.3810 -14.3810 -14.3747 -14.3747 -5.7663 -5.7663 -4.5019 -4.5019 -4.4507 -4.4507 -3.8469 -3.8469 -2.0991 -2.0991 -1.9698 -1.9698 -0.0975 -0.0975 1.8835 1.8835 1.9124 1.9124 2.9105 2.9105 3.0219 3.0219 3.2079 3.2079 3.5435 3.5435 4.1564 4.1564 4.3436 4.3436 5.3460 5.3460 5.5381 5.5381 5.8527 5.8527 5.9419 5.9419 7.7521 7.7521 7.8305 7.8305 8.2028 8.2028 8.4842 8.4842 9.4358 9.4358 k = 0.2126-0.6719-1.2015 ( 8491 PWs) bands (ev): -15.4212 -15.4212 -15.4149 -15.4149 -14.3863 -14.3863 -14.3811 -14.3811 -14.3747 -14.3747 -5.7038 -5.7038 -4.4596 -4.4596 -4.4112 -4.4112 -3.8664 -3.8664 -2.1142 -2.1142 -2.0163 -2.0163 -0.1158 -0.1158 1.8444 1.8444 1.8689 1.8689 2.8475 2.8475 2.9378 2.9378 3.1142 3.1142 3.5222 3.5222 4.1985 4.1985 4.3407 4.3407 5.3027 5.3027 5.4511 5.4511 5.7745 5.7745 5.8846 5.8846 7.8375 7.8375 7.9146 7.9146 8.2326 8.2326 8.5016 8.5016 9.3714 9.3714 k = 0.2194-0.6936-1.2403 ( 8489 PWs) bands (ev): -15.4211 -15.4211 -15.4149 -15.4149 -14.3862 -14.3862 -14.3811 -14.3811 -14.3746 -14.3746 -5.6404 -5.6404 -4.4177 -4.4177 -4.3734 -4.3734 -3.8882 -3.8882 -2.1322 -2.1322 -2.0599 -2.0599 -0.1325 -0.1325 1.8100 1.8100 1.8319 1.8319 2.7835 2.7835 2.8601 2.8601 3.0256 3.0256 3.4945 3.4945 4.2424 4.2424 4.3467 4.3467 5.2550 5.2550 5.3730 5.3730 5.6790 5.6790 5.8464 5.8464 7.9210 7.9210 7.9980 7.9980 8.2644 8.2644 8.5182 8.5182 9.3040 9.3040 k = 0.2263-0.7152-1.2790 ( 8501 PWs) bands (ev): -15.4210 -15.4210 -15.4149 -15.4149 -14.3861 -14.3861 -14.3812 -14.3812 -14.3745 -14.3745 -5.5762 -5.5762 -4.3764 -4.3764 -4.3380 -4.3380 -3.9117 -3.9117 -2.1528 -2.1528 -2.1003 -2.1003 -0.1477 -0.1477 1.7802 1.7802 1.8010 1.8010 2.7195 2.7195 2.7890 2.7890 2.9426 2.9426 3.4603 3.4603 4.2810 4.2810 4.3652 4.3652 5.2033 5.2033 5.3065 5.3065 5.5820 5.5820 5.8123 5.8123 7.9993 7.9993 8.0793 8.0793 8.2997 8.2997 8.5342 8.5342 9.2345 9.2345 k = 0.2331-0.7369-1.3178 ( 8501 PWs) bands (ev): -15.4209 -15.4209 -15.4149 -15.4149 -14.3860 -14.3860 -14.3813 -14.3813 -14.3744 -14.3744 -5.5114 -5.5114 -4.3360 -4.3360 -4.3058 -4.3058 -3.9363 -3.9363 -2.1756 -2.1756 -2.1376 -2.1376 -0.1616 -0.1616 1.7549 1.7549 1.7756 1.7756 2.6566 2.6566 2.7245 2.7245 2.8661 2.8661 3.4205 3.4205 4.3036 4.3036 4.4016 4.4016 5.1517 5.1517 5.2510 5.2510 5.4886 5.4886 5.7785 5.7785 8.0666 8.0666 8.1572 8.1572 8.3410 8.3410 8.5504 8.5504 9.1548 9.1548 k = 0.2400-0.7586-1.3565 ( 8505 PWs) bands (ev): -15.4209 -15.4209 -15.4149 -15.4149 -14.3859 -14.3859 -14.3813 -14.3813 -14.3744 -14.3744 -5.4462 -5.4462 -4.2967 -4.2967 -4.2782 -4.2782 -3.9608 -3.9608 -2.2002 -2.2002 -2.1715 -2.1715 -0.1743 -0.1743 1.7333 1.7333 1.7557 1.7557 2.5958 2.5958 2.6664 2.6664 2.7968 2.7968 3.3759 3.3759 4.3082 4.3082 4.4513 4.4513 5.1067 5.1067 5.2039 5.2039 5.4020 5.4020 5.7439 5.7439 8.1167 8.1167 8.2287 8.2287 8.3898 8.3898 8.5692 8.5692 9.0697 9.0697 k = 0.2469-0.7803-1.3953 ( 8491 PWs) bands (ev): -15.4208 -15.4208 -15.4149 -15.4149 -14.3857 -14.3857 -14.3814 -14.3814 -14.3743 -14.3743 -5.3808 -5.3808 -4.2587 -4.2587 -4.2572 -4.2572 -3.9832 -3.9832 -2.2260 -2.2260 -2.2021 -2.2021 -0.1859 -0.1859 1.7147 1.7147 1.7407 1.7407 2.5375 2.5375 2.6149 2.6149 2.7366 2.7366 3.3274 3.3274 4.2973 4.2973 4.5041 4.5041 5.0728 5.0728 5.1644 5.1644 5.3256 5.3256 5.7082 5.7082 8.1468 8.1468 8.2844 8.2844 8.4462 8.4462 8.5950 8.5950 8.9900 8.9900 k = 0.2537-0.8019-1.4341 ( 8509 PWs) bands (ev): -15.4207 -15.4207 -15.4149 -15.4149 -14.3856 -14.3856 -14.3815 -14.3815 -14.3743 -14.3743 -5.3153 -5.3153 -4.2455 -4.2455 -4.2223 -4.2223 -4.0010 -4.0010 -2.2526 -2.2526 -2.2296 -2.2296 -0.1964 -0.1964 1.6983 1.6983 1.7298 1.7298 2.4811 2.4811 2.5703 2.5703 2.6876 2.6876 3.2760 3.2760 4.2712 4.2712 4.5518 4.5518 5.0497 5.0497 5.1343 5.1343 5.2654 5.2654 5.6717 5.6717 8.1574 8.1574 8.3109 8.3109 8.5080 8.5080 8.6329 8.6329 8.9212 8.9212 k = 0.2606-0.8236-1.4728 ( 8513 PWs) bands (ev): -15.4207 -15.4207 -15.4149 -15.4149 -14.3854 -14.3854 -14.3816 -14.3816 -14.3743 -14.3743 -5.2501 -5.2501 -4.2457 -4.2457 -4.1876 -4.1876 -4.0115 -4.0115 -2.2795 -2.2795 -2.2539 -2.2539 -0.2061 -0.2061 1.6837 1.6837 1.7217 1.7217 2.4252 2.4252 2.5342 2.5342 2.6517 2.6517 3.2224 3.2224 4.2305 4.2305 4.5851 4.5851 5.0317 5.0317 5.1160 5.1160 5.2322 5.2322 5.6345 5.6345 8.1499 8.1499 8.3037 8.3037 8.5636 8.5636 8.6861 8.6861 8.8699 8.8699 k = 0.2674-0.8453-1.5116 ( 8517 PWs) bands (ev): -15.4206 -15.4206 -15.4150 -15.4150 -14.3853 -14.3853 -14.3817 -14.3817 -14.3742 -14.3742 -5.1853 -5.1853 -4.2588 -4.2588 -4.1549 -4.1549 -4.0136 -4.0136 -2.3061 -2.3061 -2.2750 -2.2750 -0.2147 -0.2147 1.6708 1.6708 1.7153 1.7153 2.3685 2.3685 2.5088 2.5088 2.6299 2.6299 3.1673 3.1673 4.1777 4.1777 4.5947 4.5947 5.0095 5.0095 5.1153 5.1153 5.2357 5.2357 5.5971 5.5971 8.1246 8.1246 8.2681 8.2681 8.5945 8.5945 8.7567 8.7567 8.8429 8.8429 k = 0.2743-0.8670-1.5503 ( 8527 PWs) bands (ev): -15.4205 -15.4205 -15.4150 -15.4150 -14.3851 -14.3851 -14.3818 -14.3818 -14.3742 -14.3742 -5.1213 -5.1213 -4.2829 -4.2829 -4.1245 -4.1245 -4.0092 -4.0092 -2.3321 -2.3321 -2.2929 -2.2929 -0.2224 -0.2224 1.6593 1.6593 1.7094 1.7094 2.3105 2.3105 2.4963 2.4963 2.6219 2.6219 3.1114 3.1114 4.1159 4.1159 4.5772 4.5772 4.9762 4.9762 5.1445 5.1445 5.2694 5.2694 5.5608 5.5608 8.0826 8.0826 8.2114 8.2114 8.6003 8.6003 8.8135 8.8135 8.8648 8.8648 k = 0.2811-0.8886-1.5891 ( 8515 PWs) bands (ev): -15.4205 -15.4205 -15.4150 -15.4150 -14.3849 -14.3849 -14.3820 -14.3820 -14.3742 -14.3742 -5.0582 -5.0582 -4.3149 -4.3149 -4.0964 -4.0964 -4.0012 -4.0012 -2.3569 -2.3569 -2.3077 -2.3077 -0.2290 -0.2290 1.6491 1.6491 1.7034 1.7034 2.2514 2.2514 2.4978 2.4978 2.6271 2.6271 3.0553 3.0553 4.0481 4.0481 4.5376 4.5376 4.9357 4.9357 5.2015 5.2015 5.3199 5.3199 5.5288 5.5288 8.0262 8.0262 8.1393 8.1393 8.5950 8.5950 8.8223 8.8223 8.9540 8.9540 k = 0.2880-0.9103-1.6278 ( 8515 PWs) bands (ev): -15.4204 -15.4204 -15.4150 -15.4150 -14.3848 -14.3848 -14.3821 -14.3821 -14.3742 -14.3742 -4.9965 -4.9965 -4.3522 -4.3522 -4.0710 -4.0710 -3.9922 -3.9922 -2.3802 -2.3802 -2.3196 -2.3196 -0.2347 -0.2347 1.6402 1.6402 1.6976 1.6976 2.1920 2.1920 2.5132 2.5132 2.6444 2.6444 2.9997 2.9997 3.9765 3.9765 4.4842 4.4842 4.8930 4.8930 5.2759 5.2759 5.3702 5.3702 5.5125 5.5125 7.9583 7.9583 8.0563 8.0563 8.5881 8.5881 8.8282 8.8282 9.0546 9.0546 k = 0.2949-0.9320-1.6666 ( 8511 PWs) bands (ev): -15.4204 -15.4204 -15.4150 -15.4150 -14.3846 -14.3846 -14.3823 -14.3823 -14.3742 -14.3742 -4.9363 -4.9363 -4.3928 -4.3928 -4.0482 -4.0482 -3.9838 -3.9838 -2.4013 -2.4013 -2.3288 -2.3288 -0.2393 -0.2393 1.6326 1.6326 1.6926 1.6926 2.1331 2.1331 2.5419 2.5419 2.6724 2.6724 2.9455 2.9455 3.9031 3.9031 4.4234 4.4234 4.8501 4.8501 5.3472 5.3472 5.4012 5.4012 5.5412 5.5412 7.8819 7.8819 7.9658 7.9658 8.5825 8.5825 8.8347 8.8347 9.1583 9.1583 k = 0.3017-0.9537-1.7054 ( 8509 PWs) bands (ev): -15.4204 -15.4204 -15.4150 -15.4150 -14.3844 -14.3844 -14.3824 -14.3824 -14.3742 -14.3742 -4.8780 -4.8780 -4.4356 -4.4356 -4.0284 -4.0284 -3.9769 -3.9769 -2.4199 -2.4199 -2.3356 -2.3356 -0.2430 -0.2430 1.6262 1.6262 1.6897 1.6897 2.0750 2.0750 2.5828 2.5828 2.7079 2.7079 2.8955 2.8955 3.8291 3.8291 4.3594 4.3594 4.8078 4.8078 5.3464 5.3464 5.4772 5.4772 5.6132 5.6132 7.7996 7.7996 7.8704 7.8704 8.5785 8.5785 8.8410 8.8410 9.2633 9.2633 k = 0.3086-0.9753-1.7441 ( 8507 PWs) bands (ev): -15.4204 -15.4204 -15.4150 -15.4150 -14.3842 -14.3842 -14.3826 -14.3826 -14.3742 -14.3742 -4.8219 -4.8219 -4.4797 -4.4797 -4.0114 -4.0114 -3.9722 -3.9722 -2.4355 -2.4355 -2.3402 -2.3402 -0.2457 -0.2457 1.6212 1.6212 1.6900 1.6900 2.0185 2.0185 2.6343 2.6343 2.7402 2.7402 2.8601 2.8601 3.7554 3.7554 4.2945 4.2945 4.7665 4.7665 5.3145 5.3145 5.5785 5.5785 5.7031 5.7031 7.7132 7.7132 7.7718 7.7718 8.5756 8.5756 8.8468 8.8468 9.3684 9.3684 k = 0.3154-0.9970-1.7829 ( 8523 PWs) bands (ev): -15.4203 -15.4203 -15.4150 -15.4150 -14.3840 -14.3840 -14.3827 -14.3827 -14.3742 -14.3742 -4.7682 -4.7682 -4.5244 -4.5244 -3.9975 -3.9975 -3.9698 -3.9698 -2.4479 -2.4479 -2.3429 -2.3429 -0.2474 -0.2474 1.6181 1.6181 1.6944 1.6944 1.9640 1.9640 2.6940 2.6940 2.7370 2.7370 2.8721 2.8721 3.6828 3.6828 4.2302 4.2302 4.7264 4.7264 5.2768 5.2768 5.6865 5.6865 5.8013 5.8013 7.6243 7.6243 7.6718 7.6718 8.5731 8.5731 8.8517 8.8517 9.4725 9.4725 k = 0.3223-1.0187-1.8216 ( 8517 PWs) bands (ev): -15.4203 -15.4203 -15.4150 -15.4150 -14.3839 -14.3839 -14.3829 -14.3829 -14.3742 -14.3742 -4.7174 -4.7174 -4.5694 -4.5694 -3.9865 -3.9865 -3.9699 -3.9699 -2.4568 -2.4568 -2.3441 -2.3441 -0.2484 -0.2484 1.6173 1.6173 1.7030 1.7030 1.9125 1.9125 2.6945 2.6945 2.7668 2.7668 2.9287 2.9287 3.6117 3.6117 4.1674 4.1674 4.6879 4.6879 5.2375 5.2375 5.7980 5.7980 5.9040 5.9040 7.5338 7.5338 7.5718 7.5718 8.5705 8.5705 8.8555 8.8555 9.5745 9.5745 k = 0.3291-1.0403-1.8604 ( 8515 PWs) bands (ev): -15.4203 -15.4203 -15.4150 -15.4150 -14.3838 -14.3838 -14.3829 -14.3829 -14.3742 -14.3742 -4.6697 -4.6697 -4.6140 -4.6140 -3.9786 -3.9786 -3.9723 -3.9723 -2.4620 -2.4620 -2.3440 -2.3440 -0.2487 -0.2487 1.6191 1.6191 1.7150 1.7150 1.8663 1.8663 2.6476 2.6476 2.8425 2.8425 3.0034 3.0034 3.5427 3.5427 4.1069 4.1069 4.6512 4.6512 5.1977 5.1977 5.9112 5.9112 6.0089 6.0089 7.4420 7.4420 7.4745 7.4745 8.5675 8.5675 8.8580 8.8580 9.6727 9.6727 k = 0.3360-1.0620-1.8992 ( 8501 PWs) bands (ev): -15.4203 -15.4203 -15.4150 -15.4150 -14.3838 -14.3838 -14.3830 -14.3830 -14.3742 -14.3742 -4.6594 -4.6594 -4.6239 -4.6239 -3.9772 -3.9772 -3.9731 -3.9731 -2.4633 -2.4633 -2.3431 -2.3431 -0.2484 -0.2484 1.6227 1.6227 1.7265 1.7265 1.8307 1.8307 2.5986 2.5986 2.9250 2.9250 3.0882 3.0882 3.4760 3.4760 4.0490 4.0490 4.6168 4.6168 5.1582 5.1582 6.0243 6.0243 6.1135 6.1135 7.3491 7.3491 7.3833 7.3833 8.5641 8.5641 8.8592 8.8592 9.7647 9.7647 k = 0.6640-0.9848-1.8539 ( 8501 PWs) bands (ev): -15.4203 -15.4203 -15.4150 -15.4150 -14.3838 -14.3838 -14.3830 -14.3830 -14.3742 -14.3742 -4.6594 -4.6594 -4.6239 -4.6239 -3.9772 -3.9772 -3.9731 -3.9731 -2.4633 -2.4633 -2.3431 -2.3431 -0.2484 -0.2484 1.6227 1.6227 1.7265 1.7265 1.8307 1.8307 2.5986 2.5986 2.9250 2.9250 3.0882 3.0882 3.4760 3.4760 4.0490 4.0490 4.6168 4.6168 5.1582 5.1582 6.0243 6.0243 6.1135 6.1135 7.3491 7.3491 7.3833 7.3833 8.5641 8.5641 8.8592 8.8592 9.7647 9.7647 k = 0.6572-0.9406-1.8539 ( 8513 PWs) bands (ev): -15.4203 -15.4203 -15.4150 -15.4150 -14.3839 -14.3839 -14.3829 -14.3829 -14.3742 -14.3742 -4.7026 -4.7026 -4.5831 -4.5831 -3.9838 -3.9838 -3.9707 -3.9707 -2.4609 -2.4609 -2.3415 -2.3415 -0.2475 -0.2475 1.6250 1.6250 1.7284 1.7284 1.8190 1.8190 2.5500 2.5500 3.0126 3.0126 3.1804 3.1804 3.4122 3.4122 3.9944 3.9944 4.5851 4.5851 5.1193 5.1193 6.1339 6.1339 6.2141 6.2141 7.2576 7.2576 7.3022 7.3022 8.5599 8.5599 8.8590 8.8590 9.8460 9.8460 k = 0.6503-0.8963-1.8539 ( 8509 PWs) bands (ev): -15.4203 -15.4203 -15.4150 -15.4150 -14.3840 -14.3840 -14.3827 -14.3827 -14.3742 -14.3742 -4.7453 -4.7453 -4.5454 -4.5454 -3.9922 -3.9922 -3.9707 -3.9707 -2.4547 -2.4547 -2.3395 -2.3395 -0.2462 -0.2462 1.6179 1.6179 1.7245 1.7245 1.8358 1.8358 2.5024 2.5024 3.1045 3.1045 3.2784 3.2784 3.3516 3.3516 3.9432 3.9432 4.5568 4.5568 5.0814 5.0814 6.2356 6.2356 6.3057 6.3057 7.1729 7.1729 7.2348 7.2348 8.5552 8.5552 8.8573 8.8573 9.9093 9.9093 k = 0.6435-0.8521-1.8539 ( 8509 PWs) bands (ev): -15.4203 -15.4203 -15.4150 -15.4150 -14.3842 -14.3842 -14.3826 -14.3826 -14.3742 -14.3742 -4.7870 -4.7870 -4.5111 -4.5111 -4.0022 -4.0022 -3.9729 -3.9729 -2.4450 -2.4450 -2.3375 -2.3375 -0.2445 -0.2445 1.5950 1.5950 1.7335 1.7335 1.8690 1.8690 2.4561 2.4561 3.1997 3.1997 3.2937 3.2937 3.3820 3.3820 3.8959 3.8959 4.5325 4.5325 5.0447 5.0447 6.3205 6.3205 6.3797 6.3797 7.1042 7.1042 7.1887 7.1887 8.5497 8.5497 8.8540 8.8540 9.9412 9.9412 k = 0.6367-0.8078-1.8539 ( 8507 PWs) bands (ev): -15.4204 -15.4204 -15.4150 -15.4150 -14.3844 -14.3844 -14.3824 -14.3824 -14.3742 -14.3742 -4.8275 -4.8275 -4.4803 -4.4803 -4.0134 -4.0134 -3.9770 -3.9770 -2.4322 -2.4322 -2.3355 -2.3355 -0.2424 -0.2424 1.5616 1.5616 1.7571 1.7571 1.9115 1.9115 2.4114 2.4114 3.2387 3.2387 3.2984 3.2984 3.4879 3.4879 3.8533 3.8533 4.5134 4.5134 5.0094 5.0094 6.3754 6.3754 6.4238 6.4238 7.0664 7.0664 7.1744 7.1744 8.5438 8.5438 8.8492 8.8492 9.9268 9.9268 k = 0.6298-0.7636-1.8539 ( 8511 PWs) bands (ev): -15.4204 -15.4204 -15.4150 -15.4150 -14.3846 -14.3846 -14.3822 -14.3822 -14.3742 -14.3742 -4.8666 -4.8666 -4.4530 -4.4530 -4.0257 -4.0257 -3.9828 -3.9828 -2.4164 -2.4164 -2.3337 -2.3337 -0.2398 -0.2398 1.5245 1.5245 1.7907 1.7907 1.9607 1.9607 2.3683 2.3683 3.1893 3.1893 3.3956 3.3956 3.5946 3.5946 3.8174 3.8174 4.5011 4.5011 4.9757 4.9757 6.3882 6.3882 6.4254 6.4254 7.0751 7.0751 7.2003 7.2003 8.5374 8.5374 8.8425 8.8425 9.8646 9.8646 k = 0.6230-0.7193-1.8539 ( 8513 PWs) bands (ev): -15.4204 -15.4204 -15.4150 -15.4150 -14.3849 -14.3849 -14.3820 -14.3820 -14.3741 -14.3741 -4.9043 -4.9043 -4.4291 -4.4291 -4.0387 -4.0387 -3.9900 -3.9900 -2.3982 -2.3982 -2.3323 -2.3323 -0.2369 -0.2369 1.4868 1.4868 1.8318 1.8318 2.0155 2.0155 2.3271 2.3271 3.1440 3.1440 3.4902 3.4902 3.6915 3.6915 3.7989 3.7989 4.4978 4.4978 4.9442 4.9442 6.3591 6.3591 6.3835 6.3835 7.1325 7.1325 7.2648 7.2648 8.5308 8.5308 8.8339 8.8339 9.7686 9.7686 k = 0.6162-0.6751-1.8539 ( 8519 PWs) bands (ev): -15.4205 -15.4205 -15.4150 -15.4150 -14.3851 -14.3851 -14.3819 -14.3819 -14.3741 -14.3741 -4.9405 -4.9405 -4.4084 -4.4084 -4.0522 -4.0522 -3.9983 -3.9983 -2.3780 -2.3780 -2.3313 -2.3313 -0.2334 -0.2334 1.4497 1.4497 1.8788 1.8788 2.0748 2.0748 2.2878 2.2878 3.1038 3.1038 3.5747 3.5747 3.7289 3.7289 3.8505 3.8505 4.5063 4.5063 4.9154 4.9154 6.2969 6.2969 6.3120 6.3120 7.2249 7.2249 7.3581 7.3581 8.5241 8.5241 8.8229 8.8229 9.6527 9.6527 k = 0.6093-0.6308-1.8539 ( 8519 PWs) bands (ev): -15.4205 -15.4205 -15.4150 -15.4150 -14.3853 -14.3853 -14.3817 -14.3817 -14.3741 -14.3741 -4.9750 -4.9750 -4.3907 -4.3907 -4.0661 -4.0661 -4.0074 -4.0074 -2.3564 -2.3564 -2.3306 -2.3306 -0.2294 -0.2294 1.4140 1.4140 1.9307 1.9307 2.1377 2.1377 2.2508 2.2508 3.0696 3.0696 3.6299 3.6299 3.7403 3.7403 3.9533 3.9533 4.5294 4.5294 4.8902 4.8902 6.2091 6.2091 6.2277 6.2277 7.3380 7.3380 7.4702 7.4702 8.5177 8.5177 8.8087 8.8087 9.5250 9.5250 k = 0.6025-0.5866-1.8539 ( 8515 PWs) bands (ev): -15.4205 -15.4205 -15.4149 -15.4149 -14.3855 -14.3855 -14.3816 -14.3816 -14.3740 -14.3740 -5.0078 -5.0078 -4.3758 -4.3758 -4.0801 -4.0801 -4.0170 -4.0170 -2.3358 -2.3358 -2.3284 -2.3284 -0.2248 -0.2248 1.3799 1.3799 1.9862 1.9862 2.1980 2.1980 2.2210 2.2210 3.0427 3.0427 3.6386 3.6386 3.7818 3.7818 4.0640 4.0640 4.5691 4.5691 4.8705 4.8705 6.1065 6.1065 6.1353 6.1353 7.4627 7.4627 7.5936 7.5936 8.5120 8.5120 8.7899 8.7899 9.3901 9.3901 k = 0.5957-0.5423-1.8539 ( 8511 PWs) bands (ev): -15.4206 -15.4206 -15.4149 -15.4149 -14.3857 -14.3857 -14.3814 -14.3814 -14.3740 -14.3740 -5.0387 -5.0387 -4.3635 -4.3635 -4.0939 -4.0939 -4.0269 -4.0269 -2.3321 -2.3321 -2.3092 -2.3092 -0.2196 -0.2196 1.3476 1.3476 2.0441 2.0441 2.1801 2.1801 2.2729 2.2729 3.0247 3.0247 3.6281 3.6281 3.8286 3.8286 4.1767 4.1767 4.6231 4.6231 4.8606 4.8606 5.9975 5.9975 6.0363 6.0363 7.5935 7.5935 7.7234 7.7234 8.5077 8.5077 8.7636 8.7636 9.2508 9.2508 k = 0.5888-0.4981-1.8539 ( 8523 PWs) bands (ev): -15.4206 -15.4206 -15.4149 -15.4149 -14.3860 -14.3860 -14.3813 -14.3813 -14.3739 -14.3739 -5.0678 -5.0678 -4.3536 -4.3536 -4.1075 -4.1075 -4.0368 -4.0368 -2.3327 -2.3327 -2.2860 -2.2860 -0.2138 -0.2138 1.3174 1.3174 2.1014 2.1014 2.1510 2.1510 2.3392 2.3392 3.0176 3.0176 3.6159 3.6159 3.8644 3.8644 4.2892 4.2892 4.6804 4.6804 4.8711 4.8711 5.8864 5.8864 5.9329 5.9329 7.7270 7.7270 7.8554 7.8554 8.5060 8.5060 8.7247 8.7247 9.1091 9.1091 k = 0.5820-0.4538-1.8539 ( 8507 PWs) bands (ev): -15.4206 -15.4206 -15.4149 -15.4149 -14.3862 -14.3862 -14.3812 -14.3812 -14.3739 -14.3739 -5.0949 -5.0949 -4.3457 -4.3457 -4.1207 -4.1207 -4.0466 -4.0466 -2.3338 -2.3338 -2.2631 -2.2631 -0.2074 -0.2074 1.2892 1.2892 2.1169 2.1169 2.1641 2.1641 2.4040 2.4040 3.0239 3.0239 3.6063 3.6063 3.8878 3.8878 4.3971 4.3971 4.7240 4.7240 4.9174 4.9174 5.7770 5.7770 5.8276 5.8276 7.8594 7.8594 7.9848 7.9848 8.5092 8.5092 8.6657 8.6657 8.9676 8.9676 k = 0.5752-0.4096-1.8539 ( 8497 PWs) bands (ev): -15.4207 -15.4207 -15.4149 -15.4149 -14.3863 -14.3863 -14.3810 -14.3810 -14.3738 -14.3738 -5.1200 -5.1200 -4.3396 -4.3396 -4.1333 -4.1333 -4.0560 -4.0560 -2.3353 -2.3353 -2.2408 -2.2408 -0.2006 -0.2006 1.2631 1.2631 2.0917 2.0917 2.2163 2.2163 2.4658 2.4658 3.0458 3.0458 3.6010 3.6010 3.9012 3.9012 4.4899 4.4899 4.7584 4.7584 4.9945 4.9945 5.6753 5.6753 5.7229 5.7229 7.9852 7.9852 8.1039 8.1039 8.5211 8.5211 8.5813 8.5813 8.8305 8.8305 k = 0.5683-0.3653-1.8539 ( 8491 PWs) bands (ev): -15.4207 -15.4207 -15.4149 -15.4149 -14.3865 -14.3865 -14.3809 -14.3809 -14.3738 -14.3738 -5.1431 -5.1431 -4.3350 -4.3350 -4.1452 -4.1452 -4.0650 -4.0650 -2.3371 -2.3371 -2.2197 -2.2197 -0.1934 -0.1934 1.2392 1.2392 2.0674 2.0674 2.2631 2.2631 2.5241 2.5241 3.0849 3.0849 3.6008 3.6008 3.9079 3.9079 4.5512 4.5512 4.8088 4.8088 5.0739 5.0739 5.5943 5.5943 5.6232 5.6232 8.0903 8.0903 8.1978 8.1978 8.4753 8.4753 8.5522 8.5522 8.7105 8.7105 k = 0.5615-0.3210-1.8539 ( 8495 PWs) bands (ev): -15.4208 -15.4208 -15.4149 -15.4149 -14.3867 -14.3867 -14.3809 -14.3809 -14.3737 -14.3737 -5.1641 -5.1641 -4.3318 -4.3318 -4.1563 -4.1563 -4.0733 -4.0733 -2.3389 -2.3389 -2.1999 -2.1999 -0.1860 -0.1860 1.2175 1.2175 2.0450 2.0450 2.3010 2.3010 2.5800 2.5800 3.1408 3.1408 3.6065 3.6065 3.9105 3.9105 4.5768 4.5768 4.8797 4.8797 5.1165 5.1165 5.5310 5.5310 5.5682 5.5682 8.1395 8.1395 8.2203 8.2203 8.4167 8.4167 8.5511 8.5511 8.6759 8.6759 k = 0.5547-0.2768-1.8539 ( 8495 PWs) bands (ev): -15.4208 -15.4208 -15.4148 -15.4148 -14.3868 -14.3868 -14.3808 -14.3808 -14.3737 -14.3737 -5.1829 -5.1829 -4.3296 -4.3296 -4.1665 -4.1665 -4.0809 -4.0809 -2.3409 -2.3409 -2.1817 -2.1817 -0.1786 -0.1786 1.1981 1.1981 2.0250 2.0250 2.3290 2.3290 2.6342 2.6342 3.2114 3.2114 3.6184 3.6184 3.9110 3.9110 4.5807 4.5807 4.9426 4.9426 5.0926 5.0926 5.4711 5.4711 5.6151 5.6151 8.0836 8.0836 8.1426 8.1426 8.4363 8.4363 8.5394 8.5394 8.7528 8.7528 k = 0.5478-0.2325-1.8539 ( 8485 PWs) bands (ev): -15.4208 -15.4208 -15.4148 -15.4148 -14.3870 -14.3870 -14.3807 -14.3807 -14.3736 -14.3736 -5.1997 -5.1997 -4.3283 -4.3283 -4.1756 -4.1756 -4.0878 -4.0878 -2.3428 -2.3428 -2.1654 -2.1654 -0.1713 -0.1713 1.1809 1.1809 2.0071 2.0071 2.3476 2.3476 2.6866 2.6866 3.2937 3.2937 3.6369 3.6369 3.9115 3.9115 4.5744 4.5744 4.9560 4.9560 5.0251 5.0251 5.4641 5.4641 5.7203 5.7203 7.9450 7.9450 8.0385 8.0385 8.4250 8.4250 8.6169 8.6169 8.8351 8.8351 k = 0.5410-0.1883-1.8539 ( 8483 PWs) bands (ev): -15.4209 -15.4209 -15.4148 -15.4148 -14.3871 -14.3871 -14.3807 -14.3807 -14.3736 -14.3736 -5.2142 -5.2142 -4.3276 -4.3276 -4.1837 -4.1837 -4.0938 -4.0938 -2.3446 -2.3446 -2.1510 -2.1510 -0.1644 -0.1644 1.1660 1.1660 1.9917 1.9917 2.3589 2.3589 2.7360 2.7360 3.3843 3.3843 3.6617 3.6617 3.9136 3.9136 4.5624 4.5624 4.8946 4.8946 4.9547 4.9547 5.5198 5.5198 5.8532 5.8532 7.7878 7.7878 7.9101 7.9101 8.4133 8.4133 8.7027 8.7027 8.8895 8.8895 k = 0.5342-0.1440-1.8539 ( 8477 PWs) bands (ev): -15.4209 -15.4209 -15.4148 -15.4148 -14.3872 -14.3872 -14.3806 -14.3806 -14.3736 -14.3736 -5.2266 -5.2266 -4.3273 -4.3273 -4.1907 -4.1907 -4.0989 -4.0989 -2.3462 -2.3462 -2.1387 -2.1387 -0.1581 -0.1581 1.1534 1.1534 1.9785 1.9785 2.3649 2.3649 2.7806 2.7806 3.4799 3.4799 3.6913 3.6913 3.9196 3.9196 4.5454 4.5454 4.7976 4.7976 4.8795 4.8795 5.6142 5.6142 5.9992 5.9992 7.6264 7.6264 7.7720 7.7720 8.4059 8.4059 8.7578 8.7578 8.9501 8.9501 k = 0.5273-0.0998-1.8539 ( 8469 PWs) bands (ev): -15.4209 -15.4209 -15.4148 -15.4148 -14.3873 -14.3873 -14.3806 -14.3806 -14.3735 -14.3735 -5.2367 -5.2367 -4.3273 -4.3273 -4.1964 -4.1964 -4.1031 -4.1031 -2.3477 -2.3477 -2.1286 -2.1286 -0.1526 -0.1526 1.1431 1.1431 1.9677 1.9677 2.3677 2.3677 2.8187 2.8187 3.5768 3.5768 3.7229 3.7229 3.9324 3.9324 4.5211 4.5211 4.6957 4.6957 4.8019 4.8019 5.7222 5.7222 6.1519 6.1519 7.4648 7.4648 7.6347 7.6347 8.4009 8.4009 8.7814 8.7814 9.0247 9.0247 k = 0.5205-0.0555-1.8539 ( 8467 PWs) bands (ev): -15.4209 -15.4209 -15.4148 -15.4148 -14.3874 -14.3874 -14.3805 -14.3805 -14.3735 -14.3735 -5.2446 -5.2446 -4.3274 -4.3274 -4.2010 -4.2010 -4.1064 -4.1064 -2.3489 -2.3489 -2.1207 -2.1207 -0.1482 -0.1482 1.1351 1.1351 1.9593 1.9593 2.3687 2.3687 2.8490 2.8490 3.6692 3.6692 3.7528 3.7528 3.9552 3.9552 4.4855 4.4855 4.5978 4.5978 4.7358 4.7358 5.8281 5.8281 6.3078 6.3078 7.3048 7.3048 7.5073 7.5073 8.3973 8.3973 8.7900 8.7900 9.0852 9.0852 k = 0.5137-0.0113-1.8539 ( 8473 PWs) bands (ev): -15.4209 -15.4209 -15.4148 -15.4148 -14.3874 -14.3874 -14.3805 -14.3805 -14.3735 -14.3735 -5.2502 -5.2502 -4.3276 -4.3276 -4.2042 -4.2042 -4.1088 -4.1088 -2.3497 -2.3497 -2.1150 -2.1150 -0.1448 -0.1448 1.1293 1.1293 1.9533 1.9533 2.3687 2.3687 2.8710 2.8710 3.7414 3.7414 3.7856 3.7856 3.9875 3.9875 4.4381 4.4381 4.5120 4.5120 4.6908 4.6908 5.9192 5.9192 6.4634 6.4634 7.1483 7.1483 7.4003 7.4003 8.3948 8.3948 8.7932 8.7932 9.1005 9.1005 k = 0.5068 0.0330-1.8539 ( 8474 PWs) bands (ev): -15.4209 -15.4209 -15.4148 -15.4148 -14.3874 -14.3874 -14.3805 -14.3805 -14.3735 -14.3735 -5.2536 -5.2536 -4.3278 -4.3278 -4.2062 -4.2062 -4.1102 -4.1102 -2.3503 -2.3503 -2.1116 -2.1116 -0.1428 -0.1428 1.1259 1.1259 1.9497 1.9497 2.3685 2.3685 2.8842 2.8842 3.7684 3.7684 3.8330 3.8330 4.0205 4.0205 4.3913 4.3913 4.4499 4.4499 4.6670 4.6670 5.9824 5.9824 6.6106 6.6106 7.0015 7.0015 7.3270 7.3270 8.3934 8.3934 8.7942 8.7942 9.0930 9.0930 k = 0.5000 0.0772-1.8539 ( 8466 PWs) bands (ev): -15.4209 -15.4209 -15.4148 -15.4148 -14.3875 -14.3875 -14.3805 -14.3805 -14.3735 -14.3735 -5.2547 -5.2547 -4.3278 -4.3278 -4.2069 -4.2069 -4.1106 -4.1106 -2.3504 -2.3504 -2.1104 -2.1104 -0.1421 -0.1421 1.1247 1.1247 1.9485 1.9485 2.3684 2.3684 2.8886 2.8886 3.7739 3.7739 3.8553 3.8553 4.0358 4.0358 4.3702 4.3702 4.4267 4.4267 4.6598 4.6598 6.0053 6.0053 6.6976 6.6976 6.9148 6.9148 7.3007 7.3007 8.3929 8.3929 8.7945 8.7945 9.0889 9.0889 k = 0.5000 0.0772-1.8539 ( 8466 PWs) bands (ev): -15.4209 -15.4209 -15.4148 -15.4148 -14.3875 -14.3875 -14.3805 -14.3805 -14.3735 -14.3735 -5.2547 -5.2547 -4.3278 -4.3278 -4.2069 -4.2069 -4.1106 -4.1106 -2.3504 -2.3504 -2.1104 -2.1104 -0.1421 -0.1421 1.1247 1.1247 1.9485 1.9485 2.3684 2.3684 2.8886 2.8886 3.7739 3.7739 3.8553 3.8553 4.0358 4.0358 4.3702 4.3702 4.4267 4.4267 4.6598 4.6598 6.0053 6.0053 6.6976 6.6976 6.9148 6.9148 7.3007 7.3007 8.3929 8.3929 8.7945 8.7945 9.0889 9.0889 k = 0.5410 0.0835-1.8425 ( 8468 PWs) bands (ev): -15.4209 -15.4209 -15.4148 -15.4148 -14.3875 -14.3875 -14.3805 -14.3805 -14.3735 -14.3735 -5.2549 -5.2549 -4.3278 -4.3278 -4.2070 -4.2070 -4.1106 -4.1106 -2.3510 -2.3510 -2.1097 -2.1097 -0.1423 -0.1423 1.1208 1.1208 1.9580 1.9580 2.3705 2.3705 2.8891 2.8891 3.7262 3.7262 3.8806 3.8806 4.0261 4.0261 4.3452 4.3452 4.4528 4.4528 4.6972 4.6972 5.9962 5.9962 6.6683 6.6683 6.9353 6.9353 7.3233 7.3233 8.3077 8.3077 8.8788 8.8788 9.0876 9.0876 k = 0.5820 0.0899-1.8312 ( 8472 PWs) bands (ev): -15.4209 -15.4209 -15.4148 -15.4148 -14.3875 -14.3875 -14.3805 -14.3805 -14.3735 -14.3735 -5.2554 -5.2554 -4.3276 -4.3276 -4.2073 -4.2073 -4.1103 -4.1103 -2.3525 -2.3525 -2.1075 -2.1075 -0.1427 -0.1427 1.1099 1.1099 1.9856 1.9856 2.3767 2.3767 2.8907 2.8907 3.6453 3.6453 3.8604 3.8604 4.0461 4.0461 4.3006 4.3006 4.5054 4.5054 4.7888 4.7888 5.9706 5.9706 6.5988 6.5988 6.9838 6.9838 7.3843 7.3843 8.1399 8.1399 9.0369 9.0369 9.0855 9.0855 k = 0.6230 0.0962-1.8199 ( 8472 PWs) bands (ev): -15.4209 -15.4209 -15.4148 -15.4148 -14.3875 -14.3875 -14.3805 -14.3805 -14.3735 -14.3735 -5.2563 -5.2563 -4.3273 -4.3273 -4.2078 -4.2078 -4.1100 -4.1100 -2.3549 -2.3549 -2.1040 -2.1040 -0.1435 -0.1435 1.0937 1.0937 2.0294 2.0294 2.3869 2.3869 2.8934 2.8934 3.5546 3.5546 3.7831 3.7831 4.1073 4.1073 4.2550 4.2550 4.5689 4.5689 4.9074 4.9074 5.9333 5.9333 6.5112 6.5112 7.0474 7.0474 7.4703 7.4703 7.9531 7.9531 9.0444 9.0444 9.1765 9.1765 k = 0.6640 0.1025-1.8086 ( 8474 PWs) bands (ev): -15.4209 -15.4209 -15.4148 -15.4148 -14.3875 -14.3875 -14.3805 -14.3805 -14.3735 -14.3735 -5.2574 -5.2574 -4.3270 -4.3270 -4.2084 -4.2084 -4.1097 -4.1097 -2.3580 -2.3580 -2.0994 -2.0994 -0.1445 -0.1445 1.0746 1.0746 2.0869 2.0869 2.4010 2.4010 2.8972 2.8972 3.4562 3.4562 3.6920 3.6920 4.1780 4.1780 4.2134 4.2134 4.6380 4.6380 5.0365 5.0365 5.8909 5.8909 6.4160 6.4160 7.1218 7.1218 7.5670 7.5670 7.7658 7.7658 8.9830 8.9830 9.1699 9.1699 k = 0.6640 0.1025-1.8086 ( 8474 PWs) bands (ev): -15.4209 -15.4209 -15.4148 -15.4148 -14.3875 -14.3875 -14.3805 -14.3805 -14.3735 -14.3735 -5.2574 -5.2574 -4.3270 -4.3270 -4.2084 -4.2084 -4.1097 -4.1097 -2.3580 -2.3580 -2.0994 -2.0994 -0.1445 -0.1445 1.0746 1.0746 2.0869 2.0869 2.4010 2.4010 2.8972 2.8972 3.4562 3.4562 3.6920 3.6920 4.1780 4.1780 4.2134 4.2134 4.6380 4.6380 5.0365 5.0365 5.8909 5.8909 6.4160 6.4160 7.1218 7.1218 7.5670 7.5670 7.7658 7.7658 8.9830 8.9830 9.1699 9.1699 k = 0.6601 0.1019-1.7644 ( 8467 PWs) bands (ev): -15.4210 -15.4210 -15.4148 -15.4148 -14.3875 -14.3875 -14.3805 -14.3805 -14.3735 -14.3735 -5.2707 -5.2707 -4.3200 -4.3200 -4.2187 -4.2187 -4.1061 -4.1061 -2.3512 -2.3512 -2.0996 -2.0996 -0.1398 -0.1398 1.0638 1.0638 2.1430 2.1430 2.3988 2.3988 2.8976 2.8976 3.4015 3.4015 3.6956 3.6956 4.1589 4.1589 4.2244 4.2244 4.6275 4.6275 5.1231 5.1231 5.9113 5.9113 6.4381 6.4381 7.1072 7.1072 7.5410 7.5410 7.6650 7.6650 8.9988 8.9988 9.1713 9.1713 k = 0.6562 0.1013-1.7203 ( 8477 PWs) bands (ev): -15.4210 -15.4210 -15.4148 -15.4148 -14.3874 -14.3874 -14.3805 -14.3805 -14.3735 -14.3735 -5.2943 -5.2943 -4.3126 -4.3126 -4.2298 -4.2298 -4.1027 -4.1027 -2.3448 -2.3448 -2.0928 -2.0928 -0.1352 -0.1352 1.0591 1.0591 2.2078 2.2078 2.4022 2.4022 2.9008 2.9008 3.3344 3.3344 3.7153 3.7153 4.1400 4.1400 4.2388 4.2388 4.6181 4.6181 5.2152 5.2152 5.9344 5.9344 6.4615 6.4615 7.0939 7.0939 7.4933 7.4933 7.5895 7.5895 9.0137 9.0137 9.1758 9.1758 k = 0.6523 0.1007-1.6762 ( 8473 PWs) bands (ev): -15.4210 -15.4210 -15.4148 -15.4148 -14.3874 -14.3874 -14.3805 -14.3805 -14.3735 -14.3735 -5.3267 -5.3267 -4.3133 -4.3133 -4.2347 -4.2347 -4.0991 -4.0991 -2.3389 -2.3389 -2.0790 -2.0790 -0.1307 -0.1307 1.0615 1.0615 2.2772 2.2772 2.4141 2.4141 2.9068 2.9068 3.2639 3.2639 3.7437 3.7437 4.1216 4.1216 4.2561 4.2561 4.6104 4.6104 5.3099 5.3099 5.9611 5.9611 6.4864 6.4864 7.0816 7.0816 7.4104 7.4104 7.5540 7.5540 9.0278 9.0278 9.1832 9.1832 k = 0.6484 0.1001-1.6320 ( 8461 PWs) bands (ev): -15.4210 -15.4210 -15.4148 -15.4148 -14.3874 -14.3874 -14.3805 -14.3805 -14.3736 -14.3736 -5.3665 -5.3665 -4.3291 -4.3291 -4.2289 -4.2289 -4.0942 -4.0942 -2.3333 -2.3333 -2.0589 -2.0589 -0.1264 -0.1264 1.0718 1.0718 2.3407 2.3407 2.4439 2.4439 2.9154 2.9154 3.1946 3.1946 3.7772 3.7772 4.1039 4.1039 4.2764 4.2764 4.6047 4.6047 5.4046 5.4046 5.9920 5.9920 6.5126 6.5126 7.0697 7.0697 7.3165 7.3165 7.5356 7.5356 9.0411 9.0411 9.1934 9.1934 k = 0.6445 0.0995-1.5879 ( 8460 PWs) bands (ev): -15.4211 -15.4211 -15.4148 -15.4148 -14.3874 -14.3874 -14.3805 -14.3805 -14.3737 -14.3737 -5.4120 -5.4120 -4.3561 -4.3561 -4.2194 -4.2194 -4.0857 -4.0857 -2.3269 -2.3269 -2.0337 -2.0337 -0.1223 -0.1223 1.0905 1.0905 2.3828 2.3828 2.5063 2.5063 2.9262 2.9262 3.1292 3.1292 3.8142 3.8142 4.0869 4.0869 4.2997 4.2997 4.6010 4.6010 5.4968 5.4968 6.0280 6.0280 6.5403 6.5403 7.0561 7.0561 7.2261 7.2261 7.5228 7.5228 9.0532 9.0532 9.2063 9.2063 k = 0.6406 0.0989-1.5437 ( 8452 PWs) bands (ev): -15.4211 -15.4211 -15.4148 -15.4148 -14.3874 -14.3874 -14.3806 -14.3806 -14.3737 -14.3737 -5.4618 -5.4618 -4.3897 -4.3897 -4.2141 -4.2141 -4.0718 -4.0718 -2.3190 -2.3190 -2.0047 -2.0047 -0.1182 -0.1182 1.1176 1.1176 2.4100 2.4100 2.5934 2.5934 2.9382 2.9382 3.0706 3.0706 3.8540 3.8540 4.0709 4.0709 4.3260 4.3260 4.5996 4.5996 5.5834 5.5834 6.0701 6.0701 6.5693 6.5693 7.0339 7.0339 7.1503 7.1503 7.5131 7.5131 9.0636 9.0636 9.2223 9.2223 k = 0.6367 0.0983-1.4996 ( 8437 PWs) bands (ev): -15.4211 -15.4211 -15.4148 -15.4148 -14.3873 -14.3873 -14.3806 -14.3806 -14.3738 -14.3738 -5.5149 -5.5149 -4.4273 -4.4273 -4.2161 -4.2161 -4.0524 -4.0524 -2.3087 -2.3087 -1.9732 -1.9732 -0.1137 -0.1137 1.1531 1.1531 2.4345 2.4345 2.6911 2.6911 2.9470 2.9470 3.0252 3.0252 3.8959 3.8959 4.0560 4.0560 4.3554 4.3554 4.6004 4.6004 5.6618 5.6618 6.1182 6.1182 6.5996 6.5996 6.9891 6.9891 7.1062 7.1062 7.5058 7.5058 9.0712 9.0712 9.2418 9.2418 k = 0.6328 0.0977-1.4555 ( 8452 PWs) bands (ev): -15.4212 -15.4212 -15.4148 -15.4148 -14.3873 -14.3873 -14.3806 -14.3806 -14.3739 -14.3739 -5.5702 -5.5702 -4.4678 -4.4678 -4.2252 -4.2252 -4.0295 -4.0295 -2.2954 -2.2954 -1.9402 -1.9402 -0.1085 -0.1085 1.1967 1.1967 2.4605 2.4605 2.7892 2.7892 2.9424 2.9424 3.0096 3.0096 3.9396 3.9396 4.0425 4.0425 4.3880 4.3880 4.6033 4.6033 5.7300 5.7300 6.1700 6.1700 6.6308 6.6308 6.9283 6.9283 7.0912 7.0912 7.5007 7.5007 9.0750 9.0750 9.2653 9.2653 k = 0.6289 0.0971-1.4113 ( 8450 PWs) bands (ev): -15.4213 -15.4213 -15.4148 -15.4148 -14.3873 -14.3873 -14.3806 -14.3806 -14.3740 -14.3740 -5.6270 -5.6270 -4.5104 -4.5104 -4.2398 -4.2398 -4.0057 -4.0057 -2.2787 -2.2787 -1.9067 -1.9067 -0.1022 -0.1022 1.2479 1.2479 2.4893 2.4893 2.8494 2.8494 2.9619 2.9619 3.0232 3.0232 3.9837 3.9837 4.0316 4.0316 4.4237 4.4237 4.6084 4.6084 5.7873 5.7873 6.2197 6.2197 6.6623 6.6623 6.8738 6.8738 7.0899 7.0899 7.4979 7.4979 9.0741 9.0741 9.2929 9.2929 k = 0.6249 0.0965-1.3672 ( 8448 PWs) bands (ev): -15.4213 -15.4213 -15.4148 -15.4148 -14.3873 -14.3873 -14.3806 -14.3806 -14.3742 -14.3742 -5.6846 -5.6846 -4.5546 -4.5546 -4.2586 -4.2586 -3.9829 -3.9829 -2.2584 -2.2584 -1.8734 -1.8734 -0.0943 -0.0943 1.3062 1.3062 2.5211 2.5211 2.8399 2.8399 3.0366 3.0366 3.0663 3.0663 4.0103 4.0103 4.0414 4.0414 4.4627 4.4627 4.6155 4.6155 5.8346 5.8346 6.2571 6.2571 6.6916 6.6916 6.8412 6.8412 7.0976 7.0976 7.4974 7.4974 9.0677 9.0677 9.3248 9.3248 k = 0.6210 0.0959-1.3230 ( 8453 PWs) bands (ev): -15.4214 -15.4214 -15.4148 -15.4148 -14.3873 -14.3873 -14.3806 -14.3806 -14.3743 -14.3743 -5.7426 -5.7426 -4.5998 -4.5998 -4.2807 -4.2807 -3.9624 -3.9624 -2.2345 -2.2345 -1.8409 -1.8409 -0.0844 -0.0844 1.3708 1.3708 2.5561 2.5561 2.8185 2.8185 3.0698 3.0698 3.1772 3.1772 4.0052 4.0052 4.0865 4.0865 4.5050 4.5050 4.6247 4.6247 5.8732 5.8732 6.2711 6.2711 6.7162 6.7162 6.8409 6.8409 7.1154 7.1154 7.4999 7.4999 9.0552 9.0552 9.3605 9.3605 k = 0.6171 0.0953-1.2789 ( 8465 PWs) bands (ev): -15.4215 -15.4215 -15.4148 -15.4148 -14.3873 -14.3873 -14.3806 -14.3806 -14.3744 -14.3744 -5.8006 -5.8006 -4.6457 -4.6457 -4.3054 -4.3054 -3.9450 -3.9450 -2.2072 -2.2072 -1.8097 -1.8097 -0.0724 -0.0724 1.4410 1.4410 2.5940 2.5940 2.8022 2.8022 3.1019 3.1019 3.2983 3.2983 3.9992 3.9992 4.1367 4.1367 4.5505 4.5505 4.6359 4.6359 5.9042 5.9042 6.2579 6.2579 6.7386 6.7386 6.8676 6.8676 7.1472 7.1472 7.5061 7.5061 9.0363 9.0363 9.3996 9.3996 k = 0.6132 0.0947-1.2348 ( 8460 PWs) bands (ev): -15.4215 -15.4215 -15.4148 -15.4148 -14.3873 -14.3873 -14.3806 -14.3806 -14.3745 -14.3745 -5.8582 -5.8582 -4.6920 -4.6920 -4.3321 -4.3321 -3.9310 -3.9310 -2.1770 -2.1770 -1.7800 -1.7800 -0.0579 -0.0579 1.5161 1.5161 2.6348 2.6348 2.7944 2.7944 3.1367 3.1367 3.4211 3.4211 3.9967 3.9967 4.1892 4.1892 4.5992 4.5992 4.6493 4.6493 5.9278 5.9278 6.2242 6.2242 6.7627 6.7627 6.9042 6.9042 7.1979 7.1979 7.5173 7.5173 9.0108 9.0108 9.4408 9.4408 k = 0.6093 0.0941-1.1906 ( 8466 PWs) bands (ev): -15.4216 -15.4216 -15.4148 -15.4148 -14.3873 -14.3873 -14.3806 -14.3806 -14.3747 -14.3747 -5.9151 -5.9151 -4.7384 -4.7384 -4.3604 -4.3604 -3.9207 -3.9207 -2.1443 -2.1443 -1.7520 -1.7520 -0.0409 -0.0409 1.5951 1.5951 2.6780 2.6780 2.7969 2.7969 3.1745 3.1745 3.5411 3.5411 4.0009 4.0009 4.2436 4.2436 4.6490 4.6490 4.6667 4.6667 5.9427 5.9427 6.1812 6.1812 6.7874 6.7874 6.9381 6.9381 7.2676 7.2676 7.5363 7.5363 8.9787 8.9787 9.4824 9.4824 k = 0.6054 0.0935-1.1465 ( 8471 PWs) bands (ev): -15.4217 -15.4217 -15.4148 -15.4148 -14.3873 -14.3873 -14.3806 -14.3806 -14.3748 -14.3748 -5.9711 -5.9711 -4.7845 -4.7845 -4.3899 -4.3899 -3.9141 -3.9141 -2.1100 -2.1100 -1.7257 -1.7257 -0.0213 -0.0213 1.6774 1.6774 2.7234 2.7234 2.8107 2.8107 3.2153 3.2153 3.6513 3.6513 4.0177 4.0177 4.3000 4.3000 4.6775 4.6775 4.7108 4.7108 5.9448 5.9448 6.1403 6.1403 6.8098 6.8098 6.9669 6.9669 7.3477 7.3477 7.5692 7.5692 8.9402 8.9402 9.5199 9.5199 k = 0.6015 0.0929-1.1023 ( 8471 PWs) bands (ev): -15.4218 -15.4218 -15.4148 -15.4148 -14.3873 -14.3873 -14.3806 -14.3806 -14.3749 -14.3749 -6.0260 -6.0260 -4.8303 -4.8303 -4.4202 -4.4202 -3.9110 -3.9110 -2.0747 -2.0747 -1.7009 -1.7009 0.0008 0.0008 1.7620 1.7620 2.7708 2.7708 2.8366 2.8366 3.2590 3.2590 3.7398 3.7398 4.0579 4.0579 4.3588 4.3588 4.6965 4.6965 4.7697 4.7697 5.9287 5.9287 6.1115 6.1115 6.8278 6.8278 6.9926 6.9926 7.4216 7.4216 7.6272 7.6272 8.8956 8.8956 9.5360 9.5360 k = 0.5976 0.0923-1.0582 ( 8464 PWs) bands (ev): -15.4219 -15.4219 -15.4147 -15.4147 -14.3873 -14.3873 -14.3806 -14.3806 -14.3751 -14.3751 -6.0796 -6.0796 -4.8755 -4.8755 -4.4511 -4.4511 -3.9112 -3.9112 -2.0394 -2.0394 -1.6773 -1.6773 0.0254 0.0254 1.8483 1.8483 2.8206 2.8206 2.8746 2.8746 3.3057 3.3057 3.7959 3.7959 4.1308 4.1308 4.4206 4.4206 4.7166 4.7166 4.8330 4.8330 5.8939 5.8939 6.0982 6.0982 6.8398 6.8398 7.0183 7.0183 7.4773 7.4773 7.7176 7.7176 8.8453 8.8453 9.4828 9.4828 k = 0.5937 0.0917-1.0141 ( 8457 PWs) bands (ev): -15.4220 -15.4220 -15.4147 -15.4147 -14.3874 -14.3874 -14.3806 -14.3806 -14.3752 -14.3752 -6.1319 -6.1319 -4.9199 -4.9199 -4.4824 -4.4824 -3.9143 -3.9143 -2.0052 -2.0052 -1.6546 -1.6546 0.0523 0.0523 1.9359 1.9359 2.8737 2.8737 2.9237 2.9237 3.3554 3.3554 3.8239 3.8239 4.2295 4.2295 4.4866 4.4866 4.7386 4.7386 4.9005 4.9005 5.8478 5.8478 6.0947 6.0947 6.8452 6.8452 7.0455 7.0455 7.5197 7.5197 7.8321 7.8321 8.7898 8.7898 9.3855 9.3855 k = 0.5898 0.0911-0.9699 ( 8459 PWs) bands (ev): -15.4221 -15.4221 -15.4147 -15.4147 -14.3874 -14.3874 -14.3805 -14.3805 -14.3753 -14.3753 -6.1826 -6.1826 -4.9634 -4.9634 -4.5136 -4.5136 -3.9201 -3.9201 -1.9729 -1.9729 -1.6322 -1.6322 0.0814 0.0814 2.0242 2.0242 2.9300 2.9300 2.9838 2.9838 3.4080 3.4080 3.8364 3.8364 4.3379 4.3379 4.5582 4.5582 4.7633 4.7633 4.9722 4.9722 5.7983 5.7983 6.0945 6.0945 6.8438 6.8438 7.0749 7.0749 7.5577 7.5577 7.9592 7.9592 8.7296 8.7296 9.2676 9.2676 k = 0.5859 0.0905-0.9258 ( 8460 PWs) bands (ev): -15.4222 -15.4222 -15.4147 -15.4147 -14.3875 -14.3875 -14.3805 -14.3805 -14.3755 -14.3755 -6.2317 -6.2317 -5.0058 -5.0058 -4.5448 -4.5448 -3.9281 -3.9281 -1.9435 -1.9435 -1.6097 -1.6097 0.1125 0.1125 2.1132 2.1132 2.9877 2.9877 3.0560 3.0560 3.4636 3.4636 3.8416 3.8416 4.4431 4.4431 4.6362 4.6362 4.7930 4.7930 5.0483 5.0483 5.7504 5.7504 6.0942 6.0942 6.8360 6.8360 7.1065 7.1065 7.5962 7.5962 8.0918 8.0918 8.6654 8.6654 9.1373 9.1373 k = 0.5820 0.0899-0.8816 ( 8456 PWs) bands (ev): -15.4223 -15.4223 -15.4147 -15.4147 -14.3876 -14.3876 -14.3804 -14.3804 -14.3756 -14.3756 -6.2790 -6.2790 -5.0470 -5.0470 -4.5756 -4.5756 -3.9380 -3.9380 -1.9177 -1.9177 -1.5868 -1.5868 0.1454 0.1454 2.2031 2.2031 3.0455 3.0455 3.1407 3.1407 3.5221 3.5221 3.8438 3.8438 4.5374 4.5374 4.7144 4.7144 4.8354 4.8354 5.1290 5.1290 5.7081 5.7081 6.0920 6.0920 6.8220 6.8220 7.1400 7.1400 7.6369 7.6369 8.2249 8.2249 8.5975 8.5975 9.0008 9.0008 k = 0.5781 0.0893-0.8375 ( 8458 PWs) bands (ev): -15.4224 -15.4224 -15.4147 -15.4147 -14.3877 -14.3877 -14.3804 -14.3804 -14.3757 -14.3757 -6.3246 -6.3246 -5.0868 -5.0868 -4.6058 -4.6058 -3.9495 -3.9495 -1.8958 -1.8958 -1.5635 -1.5635 0.1801 0.1801 2.2941 2.2941 3.1028 3.1028 3.2370 3.2370 3.5834 3.5834 3.8452 3.8452 4.6199 4.6199 4.7750 4.7750 4.9038 4.9038 5.2130 5.2130 5.6759 5.6759 6.0872 6.0872 6.8022 6.8022 7.1752 7.1752 7.6807 7.6807 8.3518 8.3518 8.5274 8.5274 8.8649 8.8649 k = 0.5742 0.0887-0.7934 ( 8448 PWs) bands (ev): -15.4225 -15.4225 -15.4147 -15.4147 -14.3878 -14.3878 -14.3803 -14.3803 -14.3758 -14.3758 -6.3683 -6.3683 -5.1253 -5.1253 -4.6354 -4.6354 -3.9622 -3.9622 -1.8780 -1.8780 -1.5398 -1.5398 0.2164 0.2164 2.3864 2.3864 3.1596 3.1596 3.3433 3.3433 3.6470 3.6470 3.8476 3.8476 4.6934 4.6934 4.8157 4.8157 4.9929 4.9929 5.2964 5.2964 5.6619 5.6619 6.0793 6.0793 6.7767 6.7767 7.2119 7.2119 7.7275 7.7275 8.4279 8.4279 8.4831 8.4831 8.7467 8.7467 k = 0.5703 0.0881-0.7492 ( 8446 PWs) bands (ev): -15.4226 -15.4226 -15.4147 -15.4147 -14.3879 -14.3879 -14.3802 -14.3802 -14.3759 -14.3759 -6.4100 -6.4100 -5.1622 -5.1622 -4.6642 -4.6642 -3.9758 -3.9758 -1.8641 -1.8641 -1.5159 -1.5159 0.2541 0.2541 2.4806 2.4806 3.2156 3.2156 3.4577 3.4577 3.7119 3.7119 3.8534 3.8534 4.7593 4.7593 4.8501 4.8501 5.0823 5.0823 5.3694 5.3694 5.6801 5.6801 6.0684 6.0684 6.7459 6.7459 7.2498 7.2498 7.7769 7.7769 8.3586 8.3586 8.4852 8.4852 8.7203 8.7203 k = 0.5664 0.0875-0.7051 ( 8450 PWs) bands (ev): -15.4227 -15.4227 -15.4147 -15.4147 -14.3880 -14.3880 -14.3802 -14.3802 -14.3760 -14.3760 -6.4497 -6.4497 -5.1975 -5.1975 -4.6919 -4.6919 -3.9900 -3.9900 -1.8538 -1.8538 -1.4925 -1.4925 0.2931 0.2931 2.5766 2.5766 3.2704 3.2704 3.5772 3.5772 3.7738 3.7738 3.8690 3.8690 4.8144 4.8144 4.8890 4.8890 5.1580 5.1580 5.4250 5.4250 5.7427 5.7427 6.0549 6.0549 6.7100 6.7100 7.2885 7.2885 7.8279 7.8279 8.2629 8.2629 8.3967 8.3967 8.8030 8.8030 k = 0.5625 0.0869-0.6609 ( 8447 PWs) bands (ev): -15.4228 -15.4228 -15.4147 -15.4147 -14.3881 -14.3881 -14.3801 -14.3801 -14.3761 -14.3761 -6.4874 -6.4874 -5.2311 -5.2311 -4.7187 -4.7187 -4.0045 -4.0045 -1.8465 -1.8465 -1.4698 -1.4698 0.3330 0.3330 2.6745 2.6745 3.3237 3.3237 3.6961 3.6961 3.8215 3.8215 3.9109 3.9109 4.8533 4.8533 4.9401 4.9401 5.2103 5.2103 5.4750 5.4750 5.8421 5.8421 6.0404 6.0404 6.6693 6.6693 7.3272 7.3272 7.8786 7.8786 8.1466 8.1466 8.3042 8.3042 8.8933 8.8933 k = 0.5586 0.0863-0.6168 ( 8440 PWs) bands (ev): -15.4229 -15.4229 -15.4146 -15.4146 -14.3883 -14.3883 -14.3800 -14.3800 -14.3762 -14.3762 -6.5230 -6.5230 -5.2629 -5.2629 -4.7442 -4.7442 -4.0192 -4.0192 -1.8418 -1.8418 -1.4485 -1.4485 0.3738 0.3738 2.7741 2.7741 3.3749 3.3749 3.7908 3.7908 3.8703 3.8703 3.9866 3.9866 4.8795 4.8795 5.0006 5.0006 5.2374 5.2374 5.5355 5.5355 5.9492 5.9492 6.0378 6.0378 6.6242 6.6242 7.3646 7.3646 7.9217 7.9217 8.0196 8.0196 8.2294 8.2294 8.8250 8.8250 k = 0.5547 0.0857-0.5727 ( 8437 PWs) bands (ev): -15.4230 -15.4230 -15.4146 -15.4146 -14.3884 -14.3884 -14.3799 -14.3799 -14.3763 -14.3763 -6.5565 -6.5565 -5.2930 -5.2930 -4.7685 -4.7685 -4.0338 -4.0338 -1.8390 -1.8390 -1.4287 -1.4287 0.4150 0.4150 2.8745 2.8745 3.4237 3.4237 3.8296 3.8296 3.9591 3.9591 4.0886 4.0886 4.8987 4.8987 5.0647 5.0647 5.2484 5.2484 5.6073 5.6073 5.9774 5.9774 6.1214 6.1214 6.5752 6.5752 7.3987 7.3987 7.8661 7.8661 7.9760 7.9760 8.1775 8.1775 8.7283 8.7283 k = 0.5508 0.0850-0.5285 ( 8437 PWs) bands (ev): -15.4231 -15.4231 -15.4146 -15.4146 -14.3885 -14.3885 -14.3798 -14.3798 -14.3764 -14.3764 -6.5877 -6.5877 -5.3212 -5.3212 -4.7914 -4.7914 -4.0481 -4.0481 -1.8379 -1.8379 -1.4106 -1.4106 0.4563 0.4563 2.9746 2.9746 3.4700 3.4700 3.8514 3.8514 4.0524 4.0524 4.2129 4.2129 4.9133 4.9133 5.1284 5.1284 5.2547 5.2547 5.6839 5.6839 5.9631 5.9631 6.2475 6.2475 6.5241 6.5241 7.4253 7.4253 7.7387 7.7387 7.9817 7.9817 8.1628 8.1628 8.6316 8.6316 k = 0.5469 0.0844-0.4844 ( 8443 PWs) bands (ev): -15.4232 -15.4232 -15.4146 -15.4146 -14.3887 -14.3887 -14.3797 -14.3797 -14.3765 -14.3765 -6.6168 -6.6168 -5.3474 -5.3474 -4.8129 -4.8129 -4.0620 -4.0620 -1.8381 -1.8381 -1.3945 -1.3945 0.4973 0.4973 3.0725 3.0725 3.5143 3.5143 3.8740 3.8740 4.1401 4.1401 4.3512 4.3512 4.9241 4.9241 5.1859 5.1859 5.2673 5.2673 5.7560 5.7560 5.9514 5.9514 6.3609 6.3609 6.4787 6.4787 7.4358 7.4358 7.6252 7.6252 7.9632 7.9632 8.1850 8.1850 8.5390 8.5390 k = 0.5430 0.0838-0.4403 ( 8443 PWs) bands (ev): -15.4233 -15.4233 -15.4146 -15.4146 -14.3888 -14.3888 -14.3796 -14.3796 -14.3765 -14.3765 -6.6436 -6.6436 -5.3717 -5.3717 -4.8329 -4.8329 -4.0753 -4.0753 -1.8391 -1.8391 -1.3803 -1.3803 0.5376 0.5376 3.1650 3.1650 3.5583 3.5583 3.9010 3.9010 4.2251 4.2251 4.4958 4.4958 4.9321 4.9321 5.2234 5.2234 5.3025 5.3025 5.8046 5.8046 5.9634 5.9634 6.3823 6.3823 6.5040 6.5040 7.4154 7.4154 7.5482 7.5482 7.9431 7.9431 8.2136 8.2136 8.4606 8.4606 k = 0.5390 0.0832-0.3961 ( 8443 PWs) bands (ev): -15.4234 -15.4234 -15.4146 -15.4146 -14.3889 -14.3889 -14.3796 -14.3796 -14.3766 -14.3766 -6.6682 -6.6682 -5.3941 -5.3941 -4.8513 -4.8513 -4.0878 -4.0878 -1.8408 -1.8408 -1.3680 -1.3680 0.5766 0.5766 3.2479 3.2479 3.6052 3.6052 3.9335 3.9335 4.3088 4.3088 4.6418 4.6418 4.9384 4.9384 5.2427 5.2427 5.3591 5.3591 5.8134 5.8134 6.0157 6.0157 6.3315 6.3315 6.5636 6.5636 7.3767 7.3767 7.5071 7.5071 7.9379 7.9379 8.2090 8.2090 8.4241 8.4241 k = 0.5351 0.0826-0.3520 ( 8440 PWs) bands (ev): -15.4234 -15.4234 -15.4146 -15.4146 -14.3890 -14.3890 -14.3795 -14.3795 -14.3767 -14.3767 -6.6905 -6.6905 -5.4143 -5.4143 -4.8682 -4.8682 -4.0994 -4.0994 -1.8428 -1.8428 -1.3575 -1.3575 0.6139 0.6139 3.3162 3.3162 3.6585 3.6585 3.9719 3.9719 4.3917 4.3917 4.7832 4.7832 4.9464 4.9464 5.2587 5.2587 5.4212 5.4212 5.8014 5.8014 6.0868 6.0868 6.2773 6.2773 6.5746 6.5746 7.3654 7.3654 7.4728 7.4728 7.9510 7.9510 8.1528 8.1528 8.4448 8.4448 k = 0.5312 0.0820-0.3078 ( 8441 PWs) bands (ev): -15.4235 -15.4235 -15.4146 -15.4146 -14.3891 -14.3891 -14.3794 -14.3794 -14.3767 -14.3767 -6.7105 -6.7105 -5.4326 -5.4326 -4.8833 -4.8833 -4.1101 -4.1101 -1.8451 -1.8451 -1.3487 -1.3487 0.6489 0.6489 3.3671 3.3671 3.7196 3.7196 4.0165 4.0165 4.4735 4.4735 4.8955 4.8955 4.9779 4.9779 5.2769 5.2769 5.4803 5.4803 5.7890 5.7890 6.1339 6.1339 6.2527 6.2527 6.5293 6.5293 7.3802 7.3802 7.4510 7.4510 7.9696 7.9696 8.0837 8.0837 8.4883 8.4883 k = 0.5273 0.0814-0.2637 ( 8437 PWs) bands (ev): -15.4236 -15.4236 -15.4146 -15.4146 -14.3892 -14.3892 -14.3794 -14.3794 -14.3768 -14.3768 -6.7282 -6.7282 -5.4487 -5.4487 -4.8968 -4.8968 -4.1198 -4.1198 -1.8474 -1.8474 -1.3413 -1.3413 0.6812 0.6812 3.4017 3.4017 3.7849 3.7849 4.0682 4.0682 4.5534 4.5534 4.9270 4.9270 5.0810 5.0810 5.2992 5.2992 5.5280 5.5280 5.7893 5.7893 6.1052 6.1052 6.3016 6.3016 6.4490 6.4490 7.3531 7.3531 7.4949 7.4949 7.9367 7.9367 8.0703 8.0703 8.4350 8.4350 k = 0.5234 0.0808-0.2196 ( 8438 PWs) bands (ev): -15.4236 -15.4236 -15.4146 -15.4146 -14.3893 -14.3893 -14.3793 -14.3793 -14.3768 -14.3768 -6.7436 -6.7436 -5.4628 -5.4628 -4.9086 -4.9086 -4.1283 -4.1283 -1.8496 -1.8496 -1.3353 -1.3353 0.7104 0.7104 3.4239 3.4239 3.8479 3.8479 4.1274 4.1274 4.6300 4.6300 4.9354 4.9354 5.1928 5.1928 5.3280 5.3280 5.5551 5.5551 5.8130 5.8130 6.0514 6.0514 6.3044 6.3044 6.4236 6.4236 7.3033 7.3033 7.5665 7.5665 7.8565 7.8565 8.0888 8.0888 8.3204 8.3204 k = 0.5195 0.0802-0.1754 ( 8434 PWs) bands (ev): -15.4237 -15.4237 -15.4146 -15.4146 -14.3894 -14.3894 -14.3793 -14.3793 -14.3768 -14.3768 -6.7566 -6.7566 -5.4747 -5.4747 -4.9186 -4.9186 -4.1356 -4.1356 -1.8517 -1.8517 -1.3305 -1.3305 0.7358 0.7358 3.4377 3.4377 3.9026 3.9026 4.1932 4.1932 4.7002 4.7002 4.9437 4.9437 5.2831 5.2831 5.3675 5.3675 5.5622 5.5622 5.8513 5.8513 6.0051 6.0051 6.2032 6.2032 6.5027 6.5027 7.2508 7.2508 7.6304 7.6304 7.7746 7.7746 8.0262 8.0262 8.3091 8.3091 k = 0.5156 0.0796-0.1313 ( 8425 PWs) bands (ev): -15.4237 -15.4237 -15.4146 -15.4146 -14.3895 -14.3895 -14.3792 -14.3792 -14.3769 -14.3769 -6.7673 -6.7673 -5.4844 -5.4844 -4.9268 -4.9268 -4.1416 -4.1416 -1.8535 -1.8535 -1.3268 -1.3268 0.7573 0.7573 3.4460 3.4460 3.9464 3.9464 4.2618 4.2618 4.7583 4.7583 4.9584 4.9584 5.3449 5.3449 5.4158 5.4158 5.5639 5.5639 5.8581 5.8581 5.9843 5.9843 6.1172 6.1172 6.5916 6.5916 7.2007 7.2007 7.6486 7.6486 7.7212 7.7212 7.9085 7.9085 8.3792 8.3792 k = 0.5117 0.0790-0.0871 ( 8403 PWs) bands (ev): -15.4237 -15.4237 -15.4145 -15.4145 -14.3895 -14.3895 -14.3792 -14.3792 -14.3769 -14.3769 -6.7756 -6.7756 -5.4920 -5.4920 -4.9332 -4.9332 -4.1463 -4.1463 -1.8549 -1.8549 -1.3240 -1.3240 0.7743 0.7743 3.4510 3.4510 3.9791 3.9791 4.3271 4.3271 4.7973 4.7973 4.9848 4.9848 5.3904 5.3904 5.4524 5.4524 5.5780 5.5780 5.8200 5.8200 5.9178 5.9178 6.1344 6.1344 6.6770 6.6770 7.1568 7.1568 7.5960 7.5960 7.6836 7.6836 7.8356 7.8356 8.4680 8.4680 k = 0.5078 0.0784-0.0430 ( 8396 PWs) bands (ev): -15.4237 -15.4237 -15.4145 -15.4145 -14.3896 -14.3896 -14.3792 -14.3792 -14.3769 -14.3769 -6.7815 -6.7815 -5.4975 -5.4975 -4.9377 -4.9377 -4.1498 -4.1498 -1.8560 -1.8560 -1.3221 -1.3221 0.7867 0.7867 3.4537 3.4537 4.0018 4.0018 4.3818 4.3818 4.8159 4.8159 5.0201 5.0201 5.4186 5.4186 5.4829 5.4829 5.6083 5.6083 5.7674 5.7674 5.8221 5.8221 6.2018 6.2018 6.7500 6.7500 7.1249 7.1249 7.5389 7.5389 7.5907 7.5907 7.8372 7.8372 8.5516 8.5516 k = 0.5039 0.0778 0.0011 ( 8406 PWs) bands (ev): -15.4238 -15.4238 -15.4145 -15.4145 -14.3896 -14.3896 -14.3792 -14.3792 -14.3769 -14.3769 -6.7851 -6.7851 -5.5007 -5.5007 -4.9405 -4.9405 -4.1518 -4.1518 -1.8567 -1.8567 -1.3210 -1.3210 0.7942 0.7942 3.4551 3.4551 4.0150 4.0150 4.4187 4.4187 4.8217 4.8217 5.0513 5.0513 5.4219 5.4219 5.5366 5.5366 5.6408 5.6408 5.6949 5.6949 5.7551 5.7551 6.2581 6.2581 6.7990 6.7990 7.1108 7.1108 7.4853 7.4853 7.5213 7.5213 7.8497 7.8497 8.6125 8.6125 k = 0.5000 0.0772 0.0453 ( 8416 PWs) bands (ev): -15.4238 -15.4238 -15.4145 -15.4145 -14.3896 -14.3896 -14.3791 -14.3791 -14.3769 -14.3769 -6.7862 -6.7862 -5.5018 -5.5018 -4.9414 -4.9414 -4.1525 -4.1525 -1.8569 -1.8569 -1.3206 -1.3206 0.7967 0.7967 3.4555 3.4555 4.0194 4.0194 4.4318 4.4318 4.8226 4.8226 5.0638 5.0638 5.4200 5.4200 5.6051 5.6051 5.6126 5.6126 5.6623 5.6623 5.7303 5.7303 6.2797 6.2797 6.8155 6.8155 7.1095 7.1095 7.4552 7.4552 7.5036 7.5036 7.8547 7.8547 8.6350 8.6350 k = 0.5000-1.5804-0.9269 ( 8492 PWs) bands (ev): -15.4209 -15.4209 -15.4148 -15.4148 -14.3875 -14.3875 -14.3805 -14.3805 -14.3735 -14.3735 -5.2548 -5.2548 -4.3343 -4.3343 -4.1920 -4.1920 -4.1177 -4.1177 -2.3927 -2.3927 -2.0571 -2.0571 -0.1640 -0.1640 0.9911 0.9911 2.4959 2.4959 2.6321 2.6321 2.7839 2.7839 3.0348 3.0348 3.1450 3.1450 4.0381 4.0381 4.6172 4.6172 5.2246 5.2246 5.2309 5.2309 5.7056 5.7056 6.2278 6.2278 6.6408 6.6408 7.7976 7.7976 8.2530 8.2530 8.5210 8.5210 8.7357 8.7357 k = 0.5410-1.5707-0.9213 ( 8485 PWs) bands (ev): -15.4209 -15.4209 -15.4148 -15.4148 -14.3875 -14.3875 -14.3805 -14.3805 -14.3735 -14.3735 -5.2548 -5.2548 -4.3341 -4.3341 -4.1924 -4.1924 -4.1175 -4.1175 -2.3920 -2.3920 -2.0580 -2.0580 -0.1636 -0.1636 0.9926 0.9926 2.4854 2.4854 2.6041 2.6041 2.8190 2.8190 3.0236 3.0236 3.1666 3.1666 4.0409 4.0409 4.6064 4.6064 5.1753 5.1753 5.2687 5.2687 5.7230 5.7230 6.1874 6.1874 6.6907 6.6907 7.7690 7.7690 8.2752 8.2752 8.4676 8.4676 8.7943 8.7943 k = 0.5820-1.5611-0.9156 ( 8477 PWs) bands (ev): -15.4209 -15.4209 -15.4148 -15.4148 -14.3875 -14.3875 -14.3805 -14.3805 -14.3735 -14.3735 -5.2550 -5.2550 -4.3336 -4.3336 -4.1938 -4.1938 -4.1167 -4.1167 -2.3897 -2.3897 -2.0608 -2.0608 -0.1621 -0.1621 0.9973 0.9973 2.4513 2.4513 2.5597 2.5597 2.8837 2.8837 3.0086 3.0086 3.2160 3.2160 4.0491 4.0491 4.5758 4.5758 5.1098 5.1098 5.3026 5.3026 5.7659 5.7659 6.1063 6.1063 6.8047 6.8047 7.6982 7.6982 8.2841 8.2841 8.4187 8.4187 8.9004 8.9004 k = 0.6230-1.5514-0.9100 ( 8474 PWs) bands (ev): -15.4209 -15.4209 -15.4148 -15.4148 -14.3875 -14.3875 -14.3805 -14.3805 -14.3735 -14.3735 -5.2552 -5.2552 -4.3328 -4.3328 -4.1958 -4.1958 -4.1156 -4.1156 -2.3862 -2.3862 -2.0653 -2.0653 -0.1599 -0.1599 1.0048 1.0048 2.3959 2.3959 2.5244 2.5244 2.9275 2.9275 3.0270 3.0270 3.2792 3.2792 4.0628 4.0628 4.5292 4.5292 5.0349 5.0349 5.3281 5.3281 5.8075 5.8075 6.0432 6.0432 6.9446 6.9446 7.6077 7.6077 8.1895 8.1895 8.4837 8.4837 9.0084 9.0084 k = 0.6640-1.5418-0.9043 ( 8470 PWs) bands (ev): -15.4209 -15.4209 -15.4148 -15.4148 -14.3875 -14.3875 -14.3805 -14.3805 -14.3735 -14.3735 -5.2554 -5.2554 -4.3318 -4.3318 -4.1983 -4.1983 -4.1142 -4.1142 -2.3814 -2.3814 -2.0712 -2.0712 -0.1570 -0.1570 1.0151 1.0151 2.3309 2.3309 2.4951 2.4951 2.9286 2.9286 3.0966 3.0966 3.3513 3.3513 4.0820 4.0820 4.4710 4.4710 4.9549 4.9549 5.3341 5.3341 5.8112 5.8112 6.0508 6.0508 7.0952 7.0952 7.5102 7.5102 8.0680 8.0680 8.5821 8.5821 9.0992 9.0992 k = 0.7050-1.5321-0.8986 ( 8474 PWs) bands (ev): -15.4209 -15.4209 -15.4148 -15.4148 -14.3875 -14.3875 -14.3805 -14.3805 -14.3735 -14.3735 -5.2558 -5.2558 -4.3306 -4.3306 -4.2011 -4.2011 -4.1128 -4.1128 -2.3758 -2.3758 -2.0781 -2.0781 -0.1538 -0.1538 1.0277 1.0277 2.2644 2.2644 2.4680 2.4680 2.9192 2.9192 3.1830 3.1830 3.4302 3.4302 4.1065 4.1065 4.4047 4.4047 4.8733 4.8733 5.3053 5.3053 5.7994 5.7994 6.1201 6.1201 7.2473 7.2473 7.4154 7.4154 7.9432 7.9432 8.6873 8.6873 9.1537 9.1537 k = 0.7460-1.5225-0.8930 ( 8476 PWs) bands (ev): -15.4209 -15.4209 -15.4148 -15.4148 -14.3875 -14.3875 -14.3805 -14.3805 -14.3735 -14.3735 -5.2563 -5.2563 -4.3293 -4.3293 -4.2039 -4.2039 -4.1115 -4.1115 -2.3697 -2.3697 -2.0855 -2.0855 -0.1504 -0.1504 1.0423 1.0423 2.2003 2.2003 2.4428 2.4428 2.9101 2.9101 3.2735 3.2735 3.5144 3.5144 4.1363 4.1363 4.3328 4.3328 4.7924 4.7924 5.2376 5.2376 5.8110 5.8110 6.2126 6.2126 7.2946 7.2946 7.4299 7.4299 7.8201 7.8201 8.7927 8.7927 9.1709 9.1709 k = 0.7870-1.5128-0.8873 ( 8474 PWs) bands (ev): -15.4209 -15.4209 -15.4148 -15.4148 -14.3875 -14.3875 -14.3805 -14.3805 -14.3735 -14.3735 -5.2568 -5.2568 -4.3280 -4.3280 -4.2064 -4.2064 -4.1104 -4.1104 -2.3636 -2.3636 -2.0929 -2.0929 -0.1472 -0.1472 1.0582 1.0582 2.1407 2.1407 2.4202 2.4202 2.9028 2.9028 3.3650 3.3650 3.6024 3.6024 4.1713 4.1713 4.2574 4.2574 4.7136 4.7136 5.1432 5.1432 5.8456 5.8456 6.3133 6.3133 7.2081 7.2081 7.5757 7.5757 7.7090 7.7090 8.8936 8.8936 9.1707 9.1707 k = 0.8280-1.5032-0.8816 ( 8474 PWs) bands (ev): -15.4209 -15.4209 -15.4148 -15.4148 -14.3875 -14.3875 -14.3805 -14.3805 -14.3735 -14.3735 -5.2574 -5.2574 -4.3270 -4.3270 -4.2084 -4.2084 -4.1097 -4.1097 -2.3580 -2.3580 -2.0994 -2.0994 -0.1445 -0.1445 1.0746 1.0746 2.0869 2.0869 2.4010 2.4010 2.8972 2.8972 3.4562 3.4562 3.6920 3.6920 4.1780 4.1780 4.2134 4.2134 4.6380 4.6380 5.0365 5.0365 5.8909 5.8909 6.4160 6.4160 7.1218 7.1218 7.5670 7.5670 7.7658 7.7658 8.9830 8.9830 9.1699 9.1699 Writing output data file SnxSbTe2x2.save init_run : 0.84s CPU 1.00s WALL ( 1 calls) electrons : 909.34s CPU 913.76s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.23s CPU 0.28s WALL ( 1 calls) Called by electrons: c_bands : 909.33s CPU 913.75s WALL ( 1 calls) v_of_rho : 0.05s CPU 0.05s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.05s CPU 0.05s WALL ( 1 calls) newd : 0.12s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.08s WALL ( 265 calls) cegterg : 832.17s CPU 835.87s WALL ( 384 calls) Called by sum_band: Called by *egterg: h_psi : 712.43s CPU 716.16s WALL ( 6822 calls) s_psi : 9.12s CPU 9.15s WALL ( 6822 calls) g_psi : 0.27s CPU 0.23s WALL ( 6173 calls) cdiaghg : 148.39s CPU 148.66s WALL ( 6438 calls) cegterg:over : 14.60s CPU 14.48s WALL ( 6173 calls) cegterg:upda : 8.24s CPU 8.50s WALL ( 6173 calls) cegterg:last : 4.57s CPU 4.64s WALL ( 1032 calls) cdiaghg:chol : 4.74s CPU 4.95s WALL ( 6438 calls) cdiaghg:inve : 3.19s CPU 3.19s WALL ( 6438 calls) cdiaghg:para : 9.82s CPU 9.64s WALL ( 12876 calls) Called by h_psi: h_psi:vloc : 690.68s CPU 694.37s WALL ( 6822 calls) h_psi:vnl : 21.48s CPU 21.56s WALL ( 6822 calls) add_vuspsi : 10.83s CPU 10.81s WALL ( 6822 calls) General routines calbec : 10.64s CPU 10.72s WALL ( 6822 calls) fft : 0.06s CPU 0.07s WALL ( 19 calls) ffts : 0.01s CPU 0.02s WALL ( 4 calls) fftw : 660.99s CPU 664.36s WALL ( 752120 calls) interpolate : 0.03s CPU 0.03s WALL ( 4 calls) davcio : 0.15s CPU 0.19s WALL ( 530 calls) Parallel routines fft_scatter : 285.65s CPU 285.77s WALL ( 752143 calls) PWSCF : 15m59.26s CPU 16m37.73s WALL This run was terminated on: 10:17: 6 1Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=