Program PWSCF v.5.4.0 starts on 10Feb2017 at 15:52:26 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CsLiH4SO5.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 110 110 30 4083 4083 584 Max 111 111 31 4085 4085 587 Sum 3967 3967 1089 147013 147013 21071 bravais-lattice index = 14 lattice parameter (alat) = 12.4780 a.u. unit-cell volume = 1040.0028 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 5 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.477996 celldm(2)= 1.000000 celldm(3)= 0.731175 celldm(4)= 0.297906 celldm(5)= 0.297906 celldm(6)= 0.631325 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.631325 0.775519 0.000000 ) a(3) = ( 0.217821 0.103550 0.690252 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.814068 -0.193443 ) b(2) = ( 0.000000 1.289460 -0.193443 ) b(3) = ( 0.000000 0.000000 1.448746 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 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 1151 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 H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 5 for Cs read from file: /users/gautes/Pseudo/Cs.rel-pbe-oncvpsp.UPF MD5 check sum: b26d75608c6aa7e713949ad9f7a49707 Pseudo is Norm-conserving, Zval = 9.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 2414 points, 14 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 l(11) = 3 l(12) = 3 l(13) = 3 l(14) = 3 atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) H 1.00 1.00790 H( 1.00) Li 3.00 6.94100 Li( 1.00) O 6.00 15.99940 O( 1.00) Cs 9.00 132.90550 Cs( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E Cartesian axes number of k points= 284 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 2) = ( 0.0178571 0.0084891 -0.0069087), wk = 0.0035211 k( 3) = ( 0.0357143 0.0169783 -0.0138173), wk = 0.0035211 k( 4) = ( 0.0535714 0.0254674 -0.0207260), wk = 0.0035211 k( 5) = ( 0.0714286 0.0339566 -0.0276346), wk = 0.0035211 k( 6) = ( 0.0892857 0.0424457 -0.0345433), wk = 0.0035211 k( 7) = ( 0.1071429 0.0509349 -0.0414520), wk = 0.0035211 k( 8) = ( 0.1250000 0.0594240 -0.0483606), wk = 0.0035211 k( 9) = ( 0.1428571 0.0679131 -0.0552693), wk = 0.0035211 k( 10) = ( 0.1607143 0.0764023 -0.0621780), wk = 0.0035211 k( 11) = ( 0.1785714 0.0848914 -0.0690866), wk = 0.0035211 k( 12) = ( 0.1964286 0.0933806 -0.0759953), wk = 0.0035211 k( 13) = ( 0.2142857 0.1018697 -0.0829039), wk = 0.0035211 k( 14) = ( 0.2321429 0.1103589 -0.0898126), wk = 0.0035211 k( 15) = ( 0.2500000 0.1188480 -0.0967213), wk = 0.0035211 k( 16) = ( 0.2678571 0.1273371 -0.1036299), wk = 0.0035211 k( 17) = ( 0.2857143 0.1358263 -0.1105386), wk = 0.0035211 k( 18) = ( 0.3035714 0.1443154 -0.1174472), wk = 0.0035211 k( 19) = ( 0.3214286 0.1528046 -0.1243559), wk = 0.0035211 k( 20) = ( 0.3392857 0.1612937 -0.1312646), wk = 0.0035211 k( 21) = ( 0.3571429 0.1697828 -0.1381732), wk = 0.0035211 k( 22) = ( 0.3750000 0.1782720 -0.1450819), wk = 0.0035211 k( 23) = ( 0.3928571 0.1867611 -0.1519906), wk = 0.0035211 k( 24) = ( 0.4107143 0.1952503 -0.1588992), wk = 0.0035211 k( 25) = ( 0.4285714 0.2037394 -0.1658079), wk = 0.0035211 k( 26) = ( 0.4464286 0.2122286 -0.1727165), wk = 0.0035211 k( 27) = ( 0.4642857 0.2207177 -0.1796252), wk = 0.0035211 k( 28) = ( 0.4821429 0.2292068 -0.1865339), wk = 0.0035211 k( 29) = ( 0.5000000 0.2376960 -0.1934425), wk = 0.0035211 k( 30) = ( 0.5000000 0.2376960 -0.1934425), wk = 0.0035211 k( 31) = ( 0.5062053 0.2406460 -0.1737784), wk = 0.0035211 k( 32) = ( 0.5124107 0.2435959 -0.1541143), wk = 0.0035211 k( 33) = ( 0.5186160 0.2465459 -0.1344502), wk = 0.0035211 k( 34) = ( 0.5248214 0.2494959 -0.1147861), wk = 0.0035211 k( 35) = ( 0.5310267 0.2524459 -0.0951220), wk = 0.0035211 k( 36) = ( 0.5372321 0.2553958 -0.0754580), wk = 0.0035211 k( 37) = ( 0.5434374 0.2583458 -0.0557939), wk = 0.0035211 k( 38) = ( 0.5496428 0.2612958 -0.0361298), wk = 0.0035211 k( 39) = ( 0.5558481 0.2642457 -0.0164657), wk = 0.0035211 k( 40) = ( 0.5620535 0.2671957 0.0031984), wk = 0.0035211 k( 41) = ( 0.5682588 0.2701457 0.0228625), wk = 0.0035211 k( 42) = ( 0.5744642 0.2730957 0.0425266), wk = 0.0035211 k( 43) = ( 0.5806695 0.2760456 0.0621907), wk = 0.0035211 k( 44) = ( 0.5868749 0.2789956 0.0818548), wk = 0.0035211 k( 45) = ( 0.5930802 0.2819456 0.1015189), wk = 0.0035211 k( 46) = ( 0.5992856 0.2848956 0.1211830), wk = 0.0035211 k( 47) = ( 0.6054909 0.2878455 0.1408471), wk = 0.0035211 k( 48) = ( 0.6116963 0.2907955 0.1605112), wk = 0.0035211 k( 49) = ( 0.6179016 0.2937455 0.1801753), wk = 0.0035211 k( 50) = ( 0.6241070 0.2966955 0.1998394), wk = 0.0035211 k( 51) = ( 0.6303123 0.2996454 0.2195035), wk = 0.0035211 k( 52) = ( 0.6365177 0.3025954 0.2391675), wk = 0.0035211 k( 53) = ( 0.6427230 0.3055454 0.2588316), wk = 0.0035211 k( 54) = ( 0.6489284 0.3084954 0.2784957), wk = 0.0035211 k( 55) = ( 0.6551338 0.3114453 0.2981598), wk = 0.0035211 k( 56) = ( 0.6613391 0.3143953 0.3178239), wk = 0.0035211 k( 57) = ( 0.6675445 0.3173453 0.3374880), wk = 0.0035211 k( 58) = ( 0.6675445 0.3173453 0.3374880), wk = 0.0035211 k( 59) = ( 0.6546564 0.3112184 0.3523682), wk = 0.0035211 k( 60) = ( 0.6417684 0.3050915 0.3672484), wk = 0.0035211 k( 61) = ( 0.6288803 0.2989647 0.3821286), wk = 0.0035211 k( 62) = ( 0.6159923 0.2928378 0.3970088), wk = 0.0035211 k( 63) = ( 0.6031043 0.2867109 0.4118890), wk = 0.0035211 k( 64) = ( 0.5902162 0.2805841 0.4267692), wk = 0.0035211 k( 65) = ( 0.5773282 0.2744572 0.4416494), wk = 0.0035211 k( 66) = ( 0.5644402 0.2683303 0.4565296), wk = 0.0035211 k( 67) = ( 0.5515521 0.2622035 0.4714098), wk = 0.0035211 k( 68) = ( 0.5386641 0.2560766 0.4862900), wk = 0.0035211 k( 69) = ( 0.5257761 0.2499497 0.5011701), wk = 0.0035211 k( 70) = ( 0.5128880 0.2438229 0.5160503), wk = 0.0035211 k( 71) = ( 0.5000000 0.2376960 0.5309305), wk = 0.0035211 k( 72) = ( 0.5000000 0.2376960 0.5309305), wk = 0.0035211 k( 73) = ( 0.5088246 0.2191333 0.5309305), wk = 0.0035211 k( 74) = ( 0.5176491 0.2005706 0.5309305), wk = 0.0035211 k( 75) = ( 0.5264737 0.1820079 0.5309305), wk = 0.0035211 k( 76) = ( 0.5352982 0.1634452 0.5309305), wk = 0.0035211 k( 77) = ( 0.5441228 0.1448824 0.5309305), wk = 0.0035211 k( 78) = ( 0.5529474 0.1263197 0.5309305), wk = 0.0035211 k( 79) = ( 0.5617719 0.1077570 0.5309305), wk = 0.0035211 k( 80) = ( 0.5705965 0.0891943 0.5309305), wk = 0.0035211 k( 81) = ( 0.5794211 0.0706316 0.5309305), wk = 0.0035211 k( 82) = ( 0.5882456 0.0520689 0.5309305), wk = 0.0035211 k( 83) = ( 0.5970702 0.0335062 0.5309305), wk = 0.0035211 k( 84) = ( 0.6058947 0.0149435 0.5309305), wk = 0.0035211 k( 85) = ( 0.6147193 -0.0036192 0.5309305), wk = 0.0035211 k( 86) = ( 0.6235439 -0.0221819 0.5309305), wk = 0.0035211 k( 87) = ( 0.6323684 -0.0407446 0.5309305), wk = 0.0035211 k( 88) = ( 0.6411930 -0.0593073 0.5309305), wk = 0.0035211 k( 89) = ( 0.6500176 -0.0778700 0.5309305), wk = 0.0035211 k( 90) = ( 0.6588421 -0.0964327 0.5309305), wk = 0.0035211 k( 91) = ( 0.6676667 -0.1149954 0.5309305), wk = 0.0035211 k( 92) = ( 0.6764912 -0.1335582 0.5309305), wk = 0.0035211 k( 93) = ( 0.6853158 -0.1521209 0.5309305), wk = 0.0035211 k( 94) = ( 0.6941404 -0.1706836 0.5309305), wk = 0.0035211 k( 95) = ( 0.7029649 -0.1892463 0.5309305), wk = 0.0035211 k( 96) = ( 0.7117895 -0.2078090 0.5309305), wk = 0.0035211 k( 97) = ( 0.7206140 -0.2263717 0.5309305), wk = 0.0035211 k( 98) = ( 0.7294386 -0.2449344 0.5309305), wk = 0.0035211 k( 99) = ( 0.7382632 -0.2634971 0.5309305), wk = 0.0035211 k( 100) = ( 0.2617368 -0.5505706 0.7243731), wk = 0.0035211 k( 101) = ( 0.2530123 -0.5322182 0.7243731), wk = 0.0035211 k( 102) = ( 0.2442877 -0.5138659 0.7243731), wk = 0.0035211 k( 103) = ( 0.2355631 -0.4955135 0.7243731), wk = 0.0035211 k( 104) = ( 0.2268386 -0.4771612 0.7243731), wk = 0.0035211 k( 105) = ( 0.2181140 -0.4588088 0.7243731), wk = 0.0035211 k( 106) = ( 0.2093895 -0.4404565 0.7243731), wk = 0.0035211 k( 107) = ( 0.2006649 -0.4221041 0.7243731), wk = 0.0035211 k( 108) = ( 0.1919403 -0.4037518 0.7243731), wk = 0.0035211 k( 109) = ( 0.1832158 -0.3853994 0.7243731), wk = 0.0035211 k( 110) = ( 0.1744912 -0.3670471 0.7243731), wk = 0.0035211 k( 111) = ( 0.1657667 -0.3486947 0.7243731), wk = 0.0035211 k( 112) = ( 0.1570421 -0.3303424 0.7243731), wk = 0.0035211 k( 113) = ( 0.1483175 -0.3119900 0.7243731), wk = 0.0035211 k( 114) = ( 0.1395930 -0.2936376 0.7243731), wk = 0.0035211 k( 115) = ( 0.1308684 -0.2752853 0.7243731), wk = 0.0035211 k( 116) = ( 0.1221438 -0.2569329 0.7243731), wk = 0.0035211 k( 117) = ( 0.1134193 -0.2385806 0.7243731), wk = 0.0035211 k( 118) = ( 0.1046947 -0.2202282 0.7243731), wk = 0.0035211 k( 119) = ( 0.0959702 -0.2018759 0.7243731), wk = 0.0035211 k( 120) = ( 0.0872456 -0.1835235 0.7243731), wk = 0.0035211 k( 121) = ( 0.0785210 -0.1651712 0.7243731), wk = 0.0035211 k( 122) = ( 0.0697965 -0.1468188 0.7243731), wk = 0.0035211 k( 123) = ( 0.0610719 -0.1284665 0.7243731), wk = 0.0035211 k( 124) = ( 0.0523474 -0.1101141 0.7243731), wk = 0.0035211 k( 125) = ( 0.0436228 -0.0917618 0.7243731), wk = 0.0035211 k( 126) = ( 0.0348982 -0.0734094 0.7243731), wk = 0.0035211 k( 127) = ( 0.0261737 -0.0550571 0.7243731), wk = 0.0035211 k( 128) = ( 0.0174491 -0.0367047 0.7243731), wk = 0.0035211 k( 129) = ( 0.0087246 -0.0183524 0.7243731), wk = 0.0035211 k( 130) = ( 0.0000000 0.0000000 0.7243731), wk = 0.0035211 k( 131) = ( 0.0000000 0.0000000 0.7243731), wk = 0.0035211 k( 132) = ( 0.0184698 0.0087804 0.7243731), wk = 0.0035211 k( 133) = ( 0.0369395 0.0175607 0.7243731), wk = 0.0035211 k( 134) = ( 0.0554093 0.0263411 0.7243731), wk = 0.0035211 k( 135) = ( 0.0738790 0.0351215 0.7243731), wk = 0.0035211 k( 136) = ( 0.0923488 0.0439019 0.7243731), wk = 0.0035211 k( 137) = ( 0.1108185 0.0526822 0.7243731), wk = 0.0035211 k( 138) = ( 0.1292883 0.0614626 0.7243731), wk = 0.0035211 k( 139) = ( 0.1477580 0.0702430 0.7243731), wk = 0.0035211 k( 140) = ( 0.1662278 0.0790233 0.7243731), wk = 0.0035211 k( 141) = ( 0.1846975 0.0878037 0.7243731), wk = 0.0035211 k( 142) = ( 0.2031673 0.0965841 0.7243731), wk = 0.0035211 k( 143) = ( 0.2216370 0.1053645 0.7243731), wk = 0.0035211 k( 144) = ( 0.2401068 0.1141448 0.7243731), wk = 0.0035211 k( 145) = ( 0.2585765 0.1229252 0.7243731), wk = 0.0035211 k( 146) = ( 0.2770463 0.1317056 0.7243731), wk = 0.0035211 k( 147) = ( 0.2955160 0.1404860 0.7243731), wk = 0.0035211 k( 148) = ( 0.3139858 0.1492663 0.7243731), wk = 0.0035211 k( 149) = ( 0.3324555 0.1580467 0.7243731), wk = 0.0035211 k( 150) = ( 0.5000000 0.2376960 -0.1934425), wk = 0.0035211 k( 151) = ( 0.5088858 0.2190044 -0.1934425), wk = 0.0035211 k( 152) = ( 0.5177717 0.2003127 -0.1934425), wk = 0.0035211 k( 153) = ( 0.5266575 0.1816211 -0.1934425), wk = 0.0035211 k( 154) = ( 0.5355434 0.1629295 -0.1934425), wk = 0.0035211 k( 155) = ( 0.5444292 0.1442379 -0.1934425), wk = 0.0035211 k( 156) = ( 0.5533151 0.1255463 -0.1934425), wk = 0.0035211 k( 157) = ( 0.5622009 0.1068547 -0.1934425), wk = 0.0035211 k( 158) = ( 0.5710867 0.0881631 -0.1934425), wk = 0.0035211 k( 159) = ( 0.5799726 0.0694715 -0.1934425), wk = 0.0035211 k( 160) = ( 0.5888584 0.0507798 -0.1934425), wk = 0.0035211 k( 161) = ( 0.5977443 0.0320882 -0.1934425), wk = 0.0035211 k( 162) = ( 0.6066301 0.0133966 -0.1934425), wk = 0.0035211 k( 163) = ( 0.6155160 -0.0052950 -0.1934425), wk = 0.0035211 k( 164) = ( 0.6244018 -0.0239866 -0.1934425), wk = 0.0035211 k( 165) = ( 0.6332876 -0.0426782 -0.1934425), wk = 0.0035211 k( 166) = ( 0.6421735 -0.0613698 -0.1934425), wk = 0.0035211 k( 167) = ( 0.6510593 -0.0800614 -0.1934425), wk = 0.0035211 k( 168) = ( 0.6599452 -0.0987531 -0.1934425), wk = 0.0035211 k( 169) = ( 0.6688310 -0.1174447 -0.1934425), wk = 0.0035211 k( 170) = ( 0.6777169 -0.1361363 -0.1934425), wk = 0.0035211 k( 171) = ( 0.6866027 -0.1548279 -0.1934425), wk = 0.0035211 k( 172) = ( 0.3133973 -0.6592398 -0.0000000), wk = 0.0035211 k( 173) = ( 0.3044431 -0.6404044 -0.0000000), wk = 0.0035211 k( 174) = ( 0.2954889 -0.6215689 -0.0000000), wk = 0.0035211 k( 175) = ( 0.2865347 -0.6027335 -0.0000000), wk = 0.0035211 k( 176) = ( 0.2775805 -0.5838981 -0.0000000), wk = 0.0035211 k( 177) = ( 0.2686263 -0.5650627 -0.0000000), wk = 0.0035211 k( 178) = ( 0.2596720 -0.5462273 -0.0000000), wk = 0.0035211 k( 179) = ( 0.2507178 -0.5273918 -0.0000000), wk = 0.0035211 k( 180) = ( 0.2417636 -0.5085564 -0.0000000), wk = 0.0035211 k( 181) = ( 0.2328094 -0.4897210 -0.0000000), wk = 0.0035211 k( 182) = ( 0.2238552 -0.4708856 -0.0000000), wk = 0.0035211 k( 183) = ( 0.2149010 -0.4520501 -0.0000000), wk = 0.0035211 k( 184) = ( 0.2059468 -0.4332147 -0.0000000), wk = 0.0035211 k( 185) = ( 0.1969926 -0.4143793 -0.0000000), wk = 0.0035211 k( 186) = ( 0.1880384 -0.3955439 -0.0000000), wk = 0.0035211 k( 187) = ( 0.1790842 -0.3767084 -0.0000000), wk = 0.0035211 k( 188) = ( 0.1701300 -0.3578730 -0.0000000), wk = 0.0035211 k( 189) = ( 0.1611758 -0.3390376 -0.0000000), wk = 0.0035211 k( 190) = ( 0.1522215 -0.3202022 -0.0000000), wk = 0.0035211 k( 191) = ( 0.1432673 -0.3013668 -0.0000000), wk = 0.0035211 k( 192) = ( 0.1343131 -0.2825313 -0.0000000), wk = 0.0035211 k( 193) = ( 0.1253589 -0.2636959 -0.0000000), wk = 0.0035211 k( 194) = ( 0.1164047 -0.2448605 -0.0000000), wk = 0.0035211 k( 195) = ( 0.1074505 -0.2260251 -0.0000000), wk = 0.0035211 k( 196) = ( 0.0984963 -0.2071896 -0.0000000), wk = 0.0035211 k( 197) = ( 0.0895421 -0.1883542 -0.0000000), wk = 0.0035211 k( 198) = ( 0.0805879 -0.1695188 -0.0000000), wk = 0.0035211 k( 199) = ( 0.0716337 -0.1506834 -0.0000000), wk = 0.0035211 k( 200) = ( 0.0626795 -0.1318480 -0.0000000), wk = 0.0035211 k( 201) = ( 0.0537253 -0.1130125 -0.0000000), wk = 0.0035211 k( 202) = ( 0.0447710 -0.0941771 -0.0000000), wk = 0.0035211 k( 203) = ( 0.0358168 -0.0753417 -0.0000000), wk = 0.0035211 k( 204) = ( 0.0268626 -0.0565063 -0.0000000), wk = 0.0035211 k( 205) = ( 0.0179084 -0.0376709 -0.0000000), wk = 0.0035211 k( 206) = ( 0.0089542 -0.0188354 -0.0000000), wk = 0.0035211 k( 207) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 208) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 209) = ( 0.0156250 -0.0127198 -0.0030225), wk = 0.0035211 k( 210) = ( 0.0312500 -0.0254396 -0.0060451), wk = 0.0035211 k( 211) = ( 0.0468750 -0.0381594 -0.0090676), wk = 0.0035211 k( 212) = ( 0.0625000 -0.0508792 -0.0120902), wk = 0.0035211 k( 213) = ( 0.0781250 -0.0635990 -0.0151127), wk = 0.0035211 k( 214) = ( 0.0937500 -0.0763188 -0.0181352), wk = 0.0035211 k( 215) = ( 0.1093750 -0.0890387 -0.0211578), wk = 0.0035211 k( 216) = ( 0.1250000 -0.1017585 -0.0241803), wk = 0.0035211 k( 217) = ( 0.1406250 -0.1144783 -0.0272029), wk = 0.0035211 k( 218) = ( 0.1562500 -0.1271981 -0.0302254), wk = 0.0035211 k( 219) = ( 0.1718750 -0.1399179 -0.0332479), wk = 0.0035211 k( 220) = ( 0.1875000 -0.1526377 -0.0362705), wk = 0.0035211 k( 221) = ( 0.2031250 -0.1653575 -0.0392930), wk = 0.0035211 k( 222) = ( 0.2187500 -0.1780773 -0.0423156), wk = 0.0035211 k( 223) = ( 0.2343750 -0.1907971 -0.0453381), wk = 0.0035211 k( 224) = ( 0.2500000 -0.2035169 -0.0483606), wk = 0.0035211 k( 225) = ( 0.2656250 -0.2162367 -0.0513832), wk = 0.0035211 k( 226) = ( 0.2812500 -0.2289565 -0.0544057), wk = 0.0035211 k( 227) = ( 0.2968750 -0.2416763 -0.0574282), wk = 0.0035211 k( 228) = ( 0.3125000 -0.2543962 -0.0604508), wk = 0.0035211 k( 229) = ( 0.3281250 -0.2671160 -0.0634733), wk = 0.0035211 k( 230) = ( 0.3437500 -0.2798358 -0.0664959), wk = 0.0035211 k( 231) = ( 0.3593750 -0.2925556 -0.0695184), wk = 0.0035211 k( 232) = ( 0.3750000 -0.3052754 -0.0725409), wk = 0.0035211 k( 233) = ( 0.3906250 -0.3179952 -0.0755635), wk = 0.0035211 k( 234) = ( 0.4062500 -0.3307150 -0.0785860), wk = 0.0035211 k( 235) = ( 0.4218750 -0.3434348 -0.0816086), wk = 0.0035211 k( 236) = ( 0.4375000 -0.3561546 -0.0846311), wk = 0.0035211 k( 237) = ( 0.4531250 -0.3688744 -0.0876536), wk = 0.0035211 k( 238) = ( 0.4687500 -0.3815942 -0.0906762), wk = 0.0035211 k( 239) = ( 0.4843750 -0.3943140 -0.0936987), wk = 0.0035211 k( 240) = ( 0.5000000 -0.4070338 -0.0967213), wk = 0.0035211 k( 241) = ( 0.5000000 -0.4070338 0.6276518), wk = 0.0035211 k( 242) = ( 0.4883721 -0.3975679 0.6130552), wk = 0.0035211 k( 243) = ( 0.4767442 -0.3881020 0.5984587), wk = 0.0035211 k( 244) = ( 0.4651163 -0.3786361 0.5838621), wk = 0.0035211 k( 245) = ( 0.4534884 -0.3691702 0.5692656), wk = 0.0035211 k( 246) = ( 0.4418605 -0.3597043 0.5546690), wk = 0.0035211 k( 247) = ( 0.4302326 -0.3502384 0.5400725), wk = 0.0035211 k( 248) = ( 0.4186047 -0.3407725 0.5254759), wk = 0.0035211 k( 249) = ( 0.4069767 -0.3313066 0.5108794), wk = 0.0035211 k( 250) = ( 0.3953488 -0.3218407 0.4962828), wk = 0.0035211 k( 251) = ( 0.3837209 -0.3123748 0.4816863), wk = 0.0035211 k( 252) = ( 0.3720930 -0.3029089 0.4670897), wk = 0.0035211 k( 253) = ( 0.3604651 -0.2934430 0.4524932), wk = 0.0035211 k( 254) = ( 0.3488372 -0.2839771 0.4378966), wk = 0.0035211 k( 255) = ( 0.3372093 -0.2745112 0.4233001), wk = 0.0035211 k( 256) = ( 0.3255814 -0.2650453 0.4087035), wk = 0.0035211 k( 257) = ( 0.3139535 -0.2555794 0.3941069), wk = 0.0035211 k( 258) = ( 0.3023256 -0.2461135 0.3795104), wk = 0.0035211 k( 259) = ( 0.2906977 -0.2366476 0.3649138), wk = 0.0035211 k( 260) = ( 0.2790698 -0.2271817 0.3503173), wk = 0.0035211 k( 261) = ( 0.2674419 -0.2177158 0.3357207), wk = 0.0035211 k( 262) = ( 0.2558140 -0.2082499 0.3211242), wk = 0.0035211 k( 263) = ( 0.2441860 -0.1987840 0.3065276), wk = 0.0035211 k( 264) = ( 0.2325581 -0.1893181 0.2919311), wk = 0.0035211 k( 265) = ( 0.2209302 -0.1798522 0.2773345), wk = 0.0035211 k( 266) = ( 0.2093023 -0.1703863 0.2627380), wk = 0.0035211 k( 267) = ( 0.1976744 -0.1609204 0.2481414), wk = 0.0035211 k( 268) = ( 0.1860465 -0.1514545 0.2335449), wk = 0.0035211 k( 269) = ( 0.1744186 -0.1419885 0.2189483), wk = 0.0035211 k( 270) = ( 0.1627907 -0.1325226 0.2043518), wk = 0.0035211 k( 271) = ( 0.1511628 -0.1230567 0.1897552), wk = 0.0035211 k( 272) = ( 0.1395349 -0.1135908 0.1751586), wk = 0.0035211 k( 273) = ( 0.1279070 -0.1041249 0.1605621), wk = 0.0035211 k( 274) = ( 0.1162791 -0.0946590 0.1459655), wk = 0.0035211 k( 275) = ( 0.1046512 -0.0851931 0.1313690), wk = 0.0035211 k( 276) = ( 0.0930233 -0.0757272 0.1167724), wk = 0.0035211 k( 277) = ( 0.0813954 -0.0662613 0.1021759), wk = 0.0035211 k( 278) = ( 0.0697674 -0.0567954 0.0875793), wk = 0.0035211 k( 279) = ( 0.0581395 -0.0473295 0.0729828), wk = 0.0035211 k( 280) = ( 0.0465116 -0.0378636 0.0583862), wk = 0.0035211 k( 281) = ( 0.0348837 -0.0283977 0.0437897), wk = 0.0035211 k( 282) = ( 0.0232558 -0.0189318 0.0291931), wk = 0.0035211 k( 283) = ( 0.0116279 -0.0094659 0.0145966), wk = 0.0035211 k( 284) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 2) = ( 0.0178571 0.0178571 0.0000000), wk = 0.0035211 k( 3) = ( 0.0357143 0.0357143 -0.0000000), wk = 0.0035211 k( 4) = ( 0.0535714 0.0535714 -0.0000000), wk = 0.0035211 k( 5) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0035211 k( 6) = ( 0.0892857 0.0892857 0.0000000), wk = 0.0035211 k( 7) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0035211 k( 8) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0035211 k( 9) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0035211 k( 10) = ( 0.1607143 0.1607143 -0.0000000), wk = 0.0035211 k( 11) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0035211 k( 12) = ( 0.1964286 0.1964286 -0.0000000), wk = 0.0035211 k( 13) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0035211 k( 14) = ( 0.2321429 0.2321429 0.0000000), wk = 0.0035211 k( 15) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0035211 k( 16) = ( 0.2678571 0.2678571 -0.0000000), wk = 0.0035211 k( 17) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0035211 k( 18) = ( 0.3035714 0.3035714 -0.0000000), wk = 0.0035211 k( 19) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0035211 k( 20) = ( 0.3392857 0.3392857 0.0000000), wk = 0.0035211 k( 21) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0035211 k( 22) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0035211 k( 23) = ( 0.3928571 0.3928571 -0.0000000), wk = 0.0035211 k( 24) = ( 0.4107143 0.4107143 0.0000000), wk = 0.0035211 k( 25) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0035211 k( 26) = ( 0.4464286 0.4464286 -0.0000000), wk = 0.0035211 k( 27) = ( 0.4642857 0.4642857 -0.0000000), wk = 0.0035211 k( 28) = ( 0.4821429 0.4821429 -0.0000000), wk = 0.0035211 k( 29) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035211 k( 30) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035211 k( 31) = ( 0.5062053 0.5062054 0.0152303), wk = 0.0035211 k( 32) = ( 0.5124107 0.5124107 0.0304606), wk = 0.0035211 k( 33) = ( 0.5186160 0.5186161 0.0456909), wk = 0.0035211 k( 34) = ( 0.5248214 0.5248214 0.0609212), wk = 0.0035211 k( 35) = ( 0.5310267 0.5310268 0.0761515), wk = 0.0035211 k( 36) = ( 0.5372321 0.5372321 0.0913819), wk = 0.0035211 k( 37) = ( 0.5434374 0.5434375 0.1066122), wk = 0.0035211 k( 38) = ( 0.5496428 0.5496428 0.1218425), wk = 0.0035211 k( 39) = ( 0.5558481 0.5558481 0.1370728), wk = 0.0035211 k( 40) = ( 0.5620535 0.5620535 0.1523031), wk = 0.0035211 k( 41) = ( 0.5682588 0.5682588 0.1675334), wk = 0.0035211 k( 42) = ( 0.5744642 0.5744642 0.1827637), wk = 0.0035211 k( 43) = ( 0.5806695 0.5806695 0.1979940), wk = 0.0035211 k( 44) = ( 0.5868749 0.5868749 0.2132243), wk = 0.0035211 k( 45) = ( 0.5930802 0.5930802 0.2284546), wk = 0.0035211 k( 46) = ( 0.5992856 0.5992856 0.2436850), wk = 0.0035211 k( 47) = ( 0.6054909 0.6054910 0.2589152), wk = 0.0035211 k( 48) = ( 0.6116963 0.6116963 0.2741456), wk = 0.0035211 k( 49) = ( 0.6179016 0.6179017 0.2893759), wk = 0.0035211 k( 50) = ( 0.6241070 0.6241070 0.3046062), wk = 0.0035211 k( 51) = ( 0.6303123 0.6303124 0.3198365), wk = 0.0035211 k( 52) = ( 0.6365177 0.6365177 0.3350668), wk = 0.0035211 k( 53) = ( 0.6427230 0.6427230 0.3502971), wk = 0.0035211 k( 54) = ( 0.6489284 0.6489284 0.3655274), wk = 0.0035211 k( 55) = ( 0.6551338 0.6551338 0.3807577), wk = 0.0035211 k( 56) = ( 0.6613391 0.6613391 0.3959880), wk = 0.0035211 k( 57) = ( 0.6675445 0.6675445 0.4112184), wk = 0.0035211 k( 58) = ( 0.6675445 0.6675445 0.4112184), wk = 0.0035211 k( 59) = ( 0.6546564 0.6546564 0.4180477), wk = 0.0035211 k( 60) = ( 0.6417684 0.6417684 0.4248771), wk = 0.0035211 k( 61) = ( 0.6288803 0.6288804 0.4317064), wk = 0.0035211 k( 62) = ( 0.6159923 0.6159923 0.4385358), wk = 0.0035211 k( 63) = ( 0.6031043 0.6031043 0.4453651), wk = 0.0035211 k( 64) = ( 0.5902162 0.5902162 0.4521945), wk = 0.0035211 k( 65) = ( 0.5773282 0.5773282 0.4590239), wk = 0.0035211 k( 66) = ( 0.5644402 0.5644402 0.4658532), wk = 0.0035211 k( 67) = ( 0.5515521 0.5515521 0.4726826), wk = 0.0035211 k( 68) = ( 0.5386641 0.5386641 0.4795119), wk = 0.0035211 k( 69) = ( 0.5257761 0.5257761 0.4863413), wk = 0.0035211 k( 70) = ( 0.5128880 0.5128880 0.4931706), wk = 0.0035211 k( 71) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035211 k( 72) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035211 k( 73) = ( 0.5088246 0.4911754 0.5000000), wk = 0.0035211 k( 74) = ( 0.5176491 0.4823509 0.5000000), wk = 0.0035211 k( 75) = ( 0.5264737 0.4735263 0.5000000), wk = 0.0035211 k( 76) = ( 0.5352982 0.4647018 0.5000000), wk = 0.0035211 k( 77) = ( 0.5441228 0.4558772 0.5000000), wk = 0.0035211 k( 78) = ( 0.5529474 0.4470526 0.5000000), wk = 0.0035211 k( 79) = ( 0.5617719 0.4382281 0.5000000), wk = 0.0035211 k( 80) = ( 0.5705965 0.4294035 0.5000000), wk = 0.0035211 k( 81) = ( 0.5794211 0.4205789 0.5000000), wk = 0.0035211 k( 82) = ( 0.5882456 0.4117544 0.5000000), wk = 0.0035211 k( 83) = ( 0.5970702 0.4029298 0.5000000), wk = 0.0035211 k( 84) = ( 0.6058947 0.3941053 0.5000000), wk = 0.0035211 k( 85) = ( 0.6147193 0.3852807 0.5000000), wk = 0.0035211 k( 86) = ( 0.6235439 0.3764561 0.5000000), wk = 0.0035211 k( 87) = ( 0.6323684 0.3676316 0.5000000), wk = 0.0035211 k( 88) = ( 0.6411930 0.3588070 0.5000000), wk = 0.0035211 k( 89) = ( 0.6500176 0.3499825 0.5000000), wk = 0.0035211 k( 90) = ( 0.6588421 0.3411579 0.5000000), wk = 0.0035211 k( 91) = ( 0.6676667 0.3323333 0.5000000), wk = 0.0035211 k( 92) = ( 0.6764912 0.3235088 0.5000000), wk = 0.0035211 k( 93) = ( 0.6853158 0.3146842 0.5000000), wk = 0.0035211 k( 94) = ( 0.6941404 0.3058596 0.5000000), wk = 0.0035211 k( 95) = ( 0.7029649 0.2970351 0.5000000), wk = 0.0035211 k( 96) = ( 0.7117895 0.2882105 0.5000000), wk = 0.0035211 k( 97) = ( 0.7206140 0.2793860 0.5000000), wk = 0.0035211 k( 98) = ( 0.7294386 0.2705614 0.5000000), wk = 0.0035211 k( 99) = ( 0.7382632 0.2617368 0.5000000), wk = 0.0035211 k( 100) = ( 0.2617368 -0.2617368 0.5000000), wk = 0.0035211 k( 101) = ( 0.2530123 -0.2530123 0.5000000), wk = 0.0035211 k( 102) = ( 0.2442877 -0.2442877 0.5000000), wk = 0.0035211 k( 103) = ( 0.2355631 -0.2355631 0.5000000), wk = 0.0035211 k( 104) = ( 0.2268386 -0.2268386 0.5000000), wk = 0.0035211 k( 105) = ( 0.2181140 -0.2181140 0.5000000), wk = 0.0035211 k( 106) = ( 0.2093895 -0.2093895 0.5000000), wk = 0.0035211 k( 107) = ( 0.2006649 -0.2006649 0.5000000), wk = 0.0035211 k( 108) = ( 0.1919403 -0.1919403 0.5000000), wk = 0.0035211 k( 109) = ( 0.1832158 -0.1832158 0.5000000), wk = 0.0035211 k( 110) = ( 0.1744912 -0.1744912 0.5000000), wk = 0.0035211 k( 111) = ( 0.1657667 -0.1657667 0.5000000), wk = 0.0035211 k( 112) = ( 0.1570421 -0.1570421 0.5000000), wk = 0.0035211 k( 113) = ( 0.1483175 -0.1483175 0.5000000), wk = 0.0035211 k( 114) = ( 0.1395930 -0.1395930 0.5000000), wk = 0.0035211 k( 115) = ( 0.1308684 -0.1308684 0.5000000), wk = 0.0035211 k( 116) = ( 0.1221438 -0.1221439 0.5000000), wk = 0.0035211 k( 117) = ( 0.1134193 -0.1134193 0.5000000), wk = 0.0035211 k( 118) = ( 0.1046947 -0.1046947 0.5000000), wk = 0.0035211 k( 119) = ( 0.0959702 -0.0959702 0.5000000), wk = 0.0035211 k( 120) = ( 0.0872456 -0.0872456 0.5000000), wk = 0.0035211 k( 121) = ( 0.0785210 -0.0785210 0.5000000), wk = 0.0035211 k( 122) = ( 0.0697965 -0.0697965 0.5000000), wk = 0.0035211 k( 123) = ( 0.0610719 -0.0610719 0.5000000), wk = 0.0035211 k( 124) = ( 0.0523474 -0.0523474 0.5000000), wk = 0.0035211 k( 125) = ( 0.0436228 -0.0436228 0.5000000), wk = 0.0035211 k( 126) = ( 0.0348982 -0.0348982 0.5000000), wk = 0.0035211 k( 127) = ( 0.0261737 -0.0261737 0.5000000), wk = 0.0035211 k( 128) = ( 0.0174491 -0.0174491 0.5000000), wk = 0.0035211 k( 129) = ( 0.0087246 -0.0087246 0.5000000), wk = 0.0035211 k( 130) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035211 k( 131) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035211 k( 132) = ( 0.0184698 0.0184698 0.5049323), wk = 0.0035211 k( 133) = ( 0.0369395 0.0369395 0.5098646), wk = 0.0035211 k( 134) = ( 0.0554093 0.0554093 0.5147969), wk = 0.0035211 k( 135) = ( 0.0738790 0.0738790 0.5197293), wk = 0.0035211 k( 136) = ( 0.0923488 0.0923488 0.5246616), wk = 0.0035211 k( 137) = ( 0.1108185 0.1108185 0.5295939), wk = 0.0035211 k( 138) = ( 0.1292883 0.1292883 0.5345262), wk = 0.0035211 k( 139) = ( 0.1477580 0.1477580 0.5394585), wk = 0.0035211 k( 140) = ( 0.1662278 0.1662278 0.5443908), wk = 0.0035211 k( 141) = ( 0.1846975 0.1846975 0.5493231), wk = 0.0035211 k( 142) = ( 0.2031673 0.2031673 0.5542555), wk = 0.0035211 k( 143) = ( 0.2216370 0.2216370 0.5591878), wk = 0.0035211 k( 144) = ( 0.2401068 0.2401068 0.5641201), wk = 0.0035211 k( 145) = ( 0.2585765 0.2585765 0.5690524), wk = 0.0035211 k( 146) = ( 0.2770463 0.2770463 0.5739847), wk = 0.0035211 k( 147) = ( 0.2955160 0.2955160 0.5789170), wk = 0.0035211 k( 148) = ( 0.3139858 0.3139858 0.5838493), wk = 0.0035211 k( 149) = ( 0.3324555 0.3324555 0.5887817), wk = 0.0035211 k( 150) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035211 k( 151) = ( 0.5088858 0.4911142 -0.0000000), wk = 0.0035211 k( 152) = ( 0.5177717 0.4822283 0.0000000), wk = 0.0035211 k( 153) = ( 0.5266575 0.4733425 -0.0000000), wk = 0.0035211 k( 154) = ( 0.5355434 0.4644566 0.0000000), wk = 0.0035211 k( 155) = ( 0.5444292 0.4555708 -0.0000000), wk = 0.0035211 k( 156) = ( 0.5533151 0.4466849 0.0000000), wk = 0.0035211 k( 157) = ( 0.5622009 0.4377991 -0.0000000), wk = 0.0035211 k( 158) = ( 0.5710867 0.4289133 -0.0000000), wk = 0.0035211 k( 159) = ( 0.5799726 0.4200274 -0.0000000), wk = 0.0035211 k( 160) = ( 0.5888584 0.4111416 -0.0000000), wk = 0.0035211 k( 161) = ( 0.5977443 0.4022557 0.0000000), wk = 0.0035211 k( 162) = ( 0.6066301 0.3933699 -0.0000000), wk = 0.0035211 k( 163) = ( 0.6155160 0.3844840 -0.0000000), wk = 0.0035211 k( 164) = ( 0.6244018 0.3755982 0.0000000), wk = 0.0035211 k( 165) = ( 0.6332876 0.3667124 -0.0000000), wk = 0.0035211 k( 166) = ( 0.6421735 0.3578265 0.0000000), wk = 0.0035211 k( 167) = ( 0.6510593 0.3489407 -0.0000000), wk = 0.0035211 k( 168) = ( 0.6599452 0.3400548 0.0000000), wk = 0.0035211 k( 169) = ( 0.6688310 0.3311690 -0.0000000), wk = 0.0035211 k( 170) = ( 0.6777169 0.3222831 -0.0000000), wk = 0.0035211 k( 171) = ( 0.6866027 0.3133973 -0.0000000), wk = 0.0035211 k( 172) = ( 0.3133973 -0.3133973 0.0000000), wk = 0.0035211 k( 173) = ( 0.3044431 -0.3044431 -0.0000000), wk = 0.0035211 k( 174) = ( 0.2954889 -0.2954889 -0.0000000), wk = 0.0035211 k( 175) = ( 0.2865347 -0.2865347 -0.0000000), wk = 0.0035211 k( 176) = ( 0.2775805 -0.2775805 0.0000000), wk = 0.0035211 k( 177) = ( 0.2686263 -0.2686263 0.0000000), wk = 0.0035211 k( 178) = ( 0.2596720 -0.2596720 -0.0000000), wk = 0.0035211 k( 179) = ( 0.2507178 -0.2507178 0.0000000), wk = 0.0035211 k( 180) = ( 0.2417636 -0.2417636 -0.0000000), wk = 0.0035211 k( 181) = ( 0.2328094 -0.2328094 0.0000000), wk = 0.0035211 k( 182) = ( 0.2238552 -0.2238552 0.0000000), wk = 0.0035211 k( 183) = ( 0.2149010 -0.2149010 -0.0000000), wk = 0.0035211 k( 184) = ( 0.2059468 -0.2059468 0.0000000), wk = 0.0035211 k( 185) = ( 0.1969926 -0.1969926 -0.0000000), wk = 0.0035211 k( 186) = ( 0.1880384 -0.1880384 0.0000000), wk = 0.0035211 k( 187) = ( 0.1790842 -0.1790842 0.0000000), wk = 0.0035211 k( 188) = ( 0.1701300 -0.1701300 -0.0000000), wk = 0.0035211 k( 189) = ( 0.1611758 -0.1611757 0.0000000), wk = 0.0035211 k( 190) = ( 0.1522215 -0.1522215 0.0000000), wk = 0.0035211 k( 191) = ( 0.1432673 -0.1432673 0.0000000), wk = 0.0035211 k( 192) = ( 0.1343131 -0.1343131 0.0000000), wk = 0.0035211 k( 193) = ( 0.1253589 -0.1253589 0.0000000), wk = 0.0035211 k( 194) = ( 0.1164047 -0.1164047 0.0000000), wk = 0.0035211 k( 195) = ( 0.1074505 -0.1074505 -0.0000000), wk = 0.0035211 k( 196) = ( 0.0984963 -0.0984963 0.0000000), wk = 0.0035211 k( 197) = ( 0.0895421 -0.0895421 -0.0000000), wk = 0.0035211 k( 198) = ( 0.0805879 -0.0805879 0.0000000), wk = 0.0035211 k( 199) = ( 0.0716337 -0.0716337 0.0000000), wk = 0.0035211 k( 200) = ( 0.0626795 -0.0626795 0.0000000), wk = 0.0035211 k( 201) = ( 0.0537253 -0.0537253 -0.0000000), wk = 0.0035211 k( 202) = ( 0.0447710 -0.0447710 0.0000000), wk = 0.0035211 k( 203) = ( 0.0358168 -0.0358168 -0.0000000), wk = 0.0035211 k( 204) = ( 0.0268626 -0.0268626 -0.0000000), wk = 0.0035211 k( 205) = ( 0.0179084 -0.0179084 0.0000000), wk = 0.0035211 k( 206) = ( 0.0089542 -0.0089542 0.0000000), wk = 0.0035211 k( 207) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 208) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 209) = ( 0.0156250 0.0000000 0.0000000), wk = 0.0035211 k( 210) = ( 0.0312500 0.0000000 0.0000000), wk = 0.0035211 k( 211) = ( 0.0468750 0.0000000 0.0000000), wk = 0.0035211 k( 212) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0035211 k( 213) = ( 0.0781250 0.0000000 0.0000000), wk = 0.0035211 k( 214) = ( 0.0937500 0.0000000 0.0000000), wk = 0.0035211 k( 215) = ( 0.1093750 -0.0000000 -0.0000000), wk = 0.0035211 k( 216) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0035211 k( 217) = ( 0.1406250 0.0000000 -0.0000000), wk = 0.0035211 k( 218) = ( 0.1562500 0.0000000 0.0000000), wk = 0.0035211 k( 219) = ( 0.1718750 0.0000000 0.0000000), wk = 0.0035211 k( 220) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0035211 k( 221) = ( 0.2031250 -0.0000000 -0.0000000), wk = 0.0035211 k( 222) = ( 0.2187500 -0.0000000 -0.0000000), wk = 0.0035211 k( 223) = ( 0.2343750 0.0000000 0.0000000), wk = 0.0035211 k( 224) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0035211 k( 225) = ( 0.2656250 0.0000000 0.0000000), wk = 0.0035211 k( 226) = ( 0.2812500 0.0000000 -0.0000000), wk = 0.0035211 k( 227) = ( 0.2968750 0.0000000 -0.0000000), wk = 0.0035211 k( 228) = ( 0.3125000 0.0000000 0.0000000), wk = 0.0035211 k( 229) = ( 0.3281250 -0.0000000 0.0000000), wk = 0.0035211 k( 230) = ( 0.3437500 0.0000000 0.0000000), wk = 0.0035211 k( 231) = ( 0.3593750 0.0000000 -0.0000000), wk = 0.0035211 k( 232) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0035211 k( 233) = ( 0.3906250 0.0000000 0.0000000), wk = 0.0035211 k( 234) = ( 0.4062500 -0.0000000 -0.0000000), wk = 0.0035211 k( 235) = ( 0.4218750 0.0000000 0.0000000), wk = 0.0035211 k( 236) = ( 0.4375000 -0.0000000 -0.0000000), wk = 0.0035211 k( 237) = ( 0.4531250 -0.0000000 0.0000000), wk = 0.0035211 k( 238) = ( 0.4687500 0.0000000 0.0000000), wk = 0.0035211 k( 239) = ( 0.4843750 -0.0000000 0.0000000), wk = 0.0035211 k( 240) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0035211 k( 241) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035211 k( 242) = ( 0.4883721 -0.0000000 0.4883721), wk = 0.0035211 k( 243) = ( 0.4767442 0.0000000 0.4767442), wk = 0.0035211 k( 244) = ( 0.4651163 0.0000000 0.4651163), wk = 0.0035211 k( 245) = ( 0.4534884 -0.0000000 0.4534884), wk = 0.0035211 k( 246) = ( 0.4418605 -0.0000000 0.4418605), wk = 0.0035211 k( 247) = ( 0.4302326 0.0000000 0.4302326), wk = 0.0035211 k( 248) = ( 0.4186047 -0.0000000 0.4186047), wk = 0.0035211 k( 249) = ( 0.4069767 -0.0000000 0.4069767), wk = 0.0035211 k( 250) = ( 0.3953488 -0.0000000 0.3953488), wk = 0.0035211 k( 251) = ( 0.3837209 -0.0000000 0.3837209), wk = 0.0035211 k( 252) = ( 0.3720930 0.0000000 0.3720930), wk = 0.0035211 k( 253) = ( 0.3604651 -0.0000000 0.3604651), wk = 0.0035211 k( 254) = ( 0.3488372 0.0000000 0.3488372), wk = 0.0035211 k( 255) = ( 0.3372093 -0.0000000 0.3372093), wk = 0.0035211 k( 256) = ( 0.3255814 0.0000000 0.3255814), wk = 0.0035211 k( 257) = ( 0.3139535 0.0000000 0.3139535), wk = 0.0035211 k( 258) = ( 0.3023256 -0.0000000 0.3023256), wk = 0.0035211 k( 259) = ( 0.2906977 -0.0000000 0.2906977), wk = 0.0035211 k( 260) = ( 0.2790698 -0.0000000 0.2790698), wk = 0.0035211 k( 261) = ( 0.2674419 -0.0000000 0.2674419), wk = 0.0035211 k( 262) = ( 0.2558140 0.0000000 0.2558140), wk = 0.0035211 k( 263) = ( 0.2441860 -0.0000000 0.2441860), wk = 0.0035211 k( 264) = ( 0.2325581 0.0000000 0.2325581), wk = 0.0035211 k( 265) = ( 0.2209302 0.0000000 0.2209302), wk = 0.0035211 k( 266) = ( 0.2093023 -0.0000000 0.2093023), wk = 0.0035211 k( 267) = ( 0.1976744 -0.0000000 0.1976744), wk = 0.0035211 k( 268) = ( 0.1860465 0.0000000 0.1860465), wk = 0.0035211 k( 269) = ( 0.1744186 0.0000000 0.1744186), wk = 0.0035211 k( 270) = ( 0.1627907 0.0000000 0.1627907), wk = 0.0035211 k( 271) = ( 0.1511628 -0.0000000 0.1511628), wk = 0.0035211 k( 272) = ( 0.1395349 -0.0000000 0.1395349), wk = 0.0035211 k( 273) = ( 0.1279070 0.0000000 0.1279070), wk = 0.0035211 k( 274) = ( 0.1162791 0.0000000 0.1162791), wk = 0.0035211 k( 275) = ( 0.1046512 -0.0000000 0.1046512), wk = 0.0035211 k( 276) = ( 0.0930233 0.0000000 0.0930233), wk = 0.0035211 k( 277) = ( 0.0813954 0.0000000 0.0813954), wk = 0.0035211 k( 278) = ( 0.0697674 -0.0000000 0.0697674), wk = 0.0035211 k( 279) = ( 0.0581395 -0.0000000 0.0581395), wk = 0.0035211 k( 280) = ( 0.0465116 0.0000000 0.0465116), wk = 0.0035211 k( 281) = ( 0.0348837 -0.0000000 0.0348837), wk = 0.0035211 k( 282) = ( 0.0232558 -0.0000000 0.0232558), wk = 0.0035211 k( 283) = ( 0.0116279 -0.0000000 0.0116279), wk = 0.0035211 k( 284) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 Dense grid: 147013 G-vectors FFT dimensions: ( 81, 81, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.98 Mb ( 1032, 62) NL pseudopotentials 1.48 Mb ( 516, 188) Each V/rho on FFT grid 0.20 Mb ( 13122) Each G-vector array 0.03 Mb ( 4084) G-vector shells 0.03 Mb ( 3847) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 3.91 Mb ( 1032, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.36 Mb ( 188, 2, 62) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./CsLiH4SO5.save/charge-density.dat Starting wfc are 76 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 6.0 secs Computing kpt #: 2 total cpu time spent up to now is 8.2 secs Computing kpt #: 3 total cpu time spent up to now is 10.4 secs Computing kpt #: 4 total cpu time spent up to now is 12.6 secs Computing kpt #: 5 total cpu time spent up to now is 14.9 secs Computing kpt #: 6 total cpu time spent up to now is 17.1 secs Computing kpt #: 7 total cpu time spent up to now is 19.4 secs Computing kpt #: 8 total cpu time spent up to now is 21.7 secs Computing kpt #: 9 total cpu time spent up to now is 24.3 secs Computing kpt #: 10 total cpu time spent up to now is 26.8 secs Computing kpt #: 11 total cpu time spent up to now is 29.5 secs Computing kpt #: 12 total cpu time spent up to now is 32.1 secs Computing kpt #: 13 total cpu time spent up to now is 35.2 secs Computing kpt #: 14 total cpu time spent up to now is 38.2 secs Computing kpt #: 15 total cpu time spent up to now is 41.0 secs Computing kpt #: 16 total cpu time spent up to now is 44.2 secs Computing kpt #: 17 total cpu time spent up to now is 47.4 secs Computing kpt #: 18 total cpu time spent up to now is 50.6 secs Computing kpt #: 19 total cpu time spent up to now is 53.9 secs Computing kpt #: 20 total cpu time spent up to now is 57.2 secs Computing kpt #: 21 total cpu time spent up to now is 60.3 secs Computing kpt #: 22 total cpu time spent up to now is 63.6 secs Computing kpt #: 23 total cpu time spent up to now is 67.0 secs Computing kpt #: 24 total cpu time spent up to now is 70.1 secs Computing kpt #: 25 total cpu time spent up to now is 73.2 secs Computing kpt #: 26 total cpu time spent up to now is 76.1 secs Computing kpt #: 27 total cpu time spent up to now is 79.0 secs Computing kpt #: 28 total cpu time spent up to now is 81.7 secs Computing kpt #: 29 total cpu time spent up to now is 84.4 secs Computing kpt #: 30 total cpu time spent up to now is 87.1 secs Computing kpt #: 31 total cpu time spent up to now is 89.9 secs Computing kpt #: 32 total cpu time spent up to now is 92.6 secs Computing kpt #: 33 total cpu time spent up to now is 95.2 secs Computing kpt #: 34 total cpu time spent up to now is 97.9 secs Computing kpt #: 35 total cpu time spent up to now is 100.7 secs Computing kpt #: 36 total cpu time spent up to now is 103.5 secs Computing kpt #: 37 total cpu time spent up to now is 106.1 secs Computing kpt #: 38 total cpu time spent up to now is 108.7 secs Computing kpt #: 39 total cpu time spent up to now is 111.4 secs Computing kpt #: 40 total cpu time spent up to now is 114.0 secs Computing kpt #: 41 total cpu time spent up to now is 116.6 secs Computing kpt #: 42 total cpu time spent up to now is 119.3 secs Computing kpt #: 43 total cpu time spent up to now is 121.9 secs Computing kpt #: 44 total cpu time spent up to now is 124.5 secs Computing kpt #: 45 total cpu time spent up to now is 127.1 secs Computing kpt #: 46 total cpu time spent up to now is 129.7 secs Computing kpt #: 47 total cpu time spent up to now is 132.6 secs Computing kpt #: 48 total cpu time spent up to now is 135.5 secs Computing kpt #: 49 total cpu time spent up to now is 138.7 secs Computing kpt #: 50 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 143.0 secs Computing kpt #: 51 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 147.5 secs Computing kpt #: 52 total cpu time spent up to now is 150.6 secs Computing kpt #: 53 total cpu time spent up to now is 153.8 secs Computing kpt #: 54 total cpu time spent up to now is 156.6 secs Computing kpt #: 55 total cpu time spent up to now is 159.4 secs Computing kpt #: 56 total cpu time spent up to now is 162.2 secs Computing kpt #: 57 total cpu time spent up to now is 164.9 secs Computing kpt #: 58 total cpu time spent up to now is 167.6 secs Computing kpt #: 59 total cpu time spent up to now is 170.3 secs Computing kpt #: 60 total cpu time spent up to now is 173.0 secs Computing kpt #: 61 total cpu time spent up to now is 175.6 secs Computing kpt #: 62 total cpu time spent up to now is 178.3 secs Computing kpt #: 63 total cpu time spent up to now is 181.0 secs Computing kpt #: 64 total cpu time spent up to now is 183.7 secs Computing kpt #: 65 total cpu time spent up to now is 186.5 secs Computing kpt #: 66 total cpu time spent up to now is 189.4 secs Computing kpt #: 67 total cpu time spent up to now is 192.3 secs Computing kpt #: 68 total cpu time spent up to now is 195.2 secs Computing kpt #: 69 total cpu time spent up to now is 198.1 secs Computing kpt #: 70 total cpu time spent up to now is 201.0 secs Computing kpt #: 71 total cpu time spent up to now is 204.2 secs Computing kpt #: 72 total cpu time spent up to now is 207.3 secs Computing kpt #: 73 total cpu time spent up to now is 210.4 secs Computing kpt #: 74 total cpu time spent up to now is 213.6 secs Computing kpt #: 75 total cpu time spent up to now is 216.8 secs Computing kpt #: 76 total cpu time spent up to now is 220.2 secs Computing kpt #: 77 total cpu time spent up to now is 223.6 secs Computing kpt #: 78 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 228.0 secs Computing kpt #: 79 total cpu time spent up to now is 231.8 secs Computing kpt #: 80 total cpu time spent up to now is 235.6 secs Computing kpt #: 81 total cpu time spent up to now is 239.3 secs Computing kpt #: 82 total cpu time spent up to now is 242.5 secs Computing kpt #: 83 total cpu time spent up to now is 245.4 secs Computing kpt #: 84 total cpu time spent up to now is 248.3 secs Computing kpt #: 85 total cpu time spent up to now is 251.2 secs Computing kpt #: 86 total cpu time spent up to now is 253.8 secs Computing kpt #: 87 total cpu time spent up to now is 256.6 secs Computing kpt #: 88 total cpu time spent up to now is 259.3 secs Computing kpt #: 89 total cpu time spent up to now is 262.2 secs Computing kpt #: 90 total cpu time spent up to now is 265.0 secs Computing kpt #: 91 total cpu time spent up to now is 267.8 secs Computing kpt #: 92 total cpu time spent up to now is 270.6 secs Computing kpt #: 93 total cpu time spent up to now is 273.5 secs Computing kpt #: 94 total cpu time spent up to now is 276.4 secs Computing kpt #: 95 total cpu time spent up to now is 280.0 secs Computing kpt #: 96 total cpu time spent up to now is 283.0 secs Computing kpt #: 97 total cpu time spent up to now is 285.8 secs Computing kpt #: 98 total cpu time spent up to now is 288.5 secs Computing kpt #: 99 total cpu time spent up to now is 291.2 secs Computing kpt #: 100 total cpu time spent up to now is 293.9 secs Computing kpt #: 101 total cpu time spent up to now is 296.6 secs Computing kpt #: 102 total cpu time spent up to now is 299.2 secs Computing kpt #: 103 total cpu time spent up to now is 301.9 secs Computing kpt #: 104 total cpu time spent up to now is 304.5 secs Computing kpt #: 105 total cpu time spent up to now is 307.1 secs Computing kpt #: 106 total cpu time spent up to now is 309.8 secs Computing kpt #: 107 total cpu time spent up to now is 312.4 secs Computing kpt #: 108 total cpu time spent up to now is 315.0 secs Computing kpt #: 109 total cpu time spent up to now is 317.6 secs Computing kpt #: 110 total cpu time spent up to now is 320.2 secs Computing kpt #: 111 total cpu time spent up to now is 322.8 secs Computing kpt #: 112 total cpu time spent up to now is 325.3 secs Computing kpt #: 113 total cpu time spent up to now is 328.0 secs Computing kpt #: 114 total cpu time spent up to now is 330.6 secs Computing kpt #: 115 total cpu time spent up to now is 333.3 secs Computing kpt #: 116 total cpu time spent up to now is 336.0 secs Computing kpt #: 117 total cpu time spent up to now is 338.7 secs Computing kpt #: 118 total cpu time spent up to now is 341.5 secs Computing kpt #: 119 total cpu time spent up to now is 344.3 secs Computing kpt #: 120 total cpu time spent up to now is 347.1 secs Computing kpt #: 121 total cpu time spent up to now is 349.9 secs Computing kpt #: 122 total cpu time spent up to now is 352.7 secs Computing kpt #: 123 total cpu time spent up to now is 355.5 secs Computing kpt #: 124 total cpu time spent up to now is 358.3 secs Computing kpt #: 125 total cpu time spent up to now is 361.1 secs Computing kpt #: 126 total cpu time spent up to now is 363.8 secs Computing kpt #: 127 total cpu time spent up to now is 366.5 secs Computing kpt #: 128 total cpu time spent up to now is 369.2 secs Computing kpt #: 129 total cpu time spent up to now is 372.0 secs Computing kpt #: 130 total cpu time spent up to now is 374.7 secs Computing kpt #: 131 total cpu time spent up to now is 377.4 secs Computing kpt #: 132 total cpu time spent up to now is 380.1 secs Computing kpt #: 133 total cpu time spent up to now is 382.8 secs Computing kpt #: 134 total cpu time spent up to now is 385.6 secs Computing kpt #: 135 total cpu time spent up to now is 388.4 secs Computing kpt #: 136 total cpu time spent up to now is 391.1 secs Computing kpt #: 137 total cpu time spent up to now is 393.8 secs Computing kpt #: 138 total cpu time spent up to now is 396.5 secs Computing kpt #: 139 total cpu time spent up to now is 399.3 secs Computing kpt #: 140 total cpu time spent up to now is 402.6 secs Computing kpt #: 141 total cpu time spent up to now is 405.4 secs Computing kpt #: 142 total cpu time spent up to now is 408.0 secs Computing kpt #: 143 total cpu time spent up to now is 410.8 secs Computing kpt #: 144 total cpu time spent up to now is 413.4 secs Computing kpt #: 145 total cpu time spent up to now is 416.1 secs Computing kpt #: 146 total cpu time spent up to now is 418.8 secs Computing kpt #: 147 total cpu time spent up to now is 421.4 secs Computing kpt #: 148 total cpu time spent up to now is 424.1 secs Computing kpt #: 149 total cpu time spent up to now is 426.8 secs Computing kpt #: 150 total cpu time spent up to now is 429.4 secs Computing kpt #: 151 total cpu time spent up to now is 432.0 secs Computing kpt #: 152 total cpu time spent up to now is 434.6 secs Computing kpt #: 153 total cpu time spent up to now is 437.3 secs Computing kpt #: 154 total cpu time spent up to now is 440.0 secs Computing kpt #: 155 total cpu time spent up to now is 442.6 secs Computing kpt #: 156 total cpu time spent up to now is 445.0 secs Computing kpt #: 157 total cpu time spent up to now is 447.7 secs Computing kpt #: 158 total cpu time spent up to now is 450.4 secs Computing kpt #: 159 total cpu time spent up to now is 453.1 secs Computing kpt #: 160 total cpu time spent up to now is 455.8 secs Computing kpt #: 161 total cpu time spent up to now is 458.1 secs Computing kpt #: 162 total cpu time spent up to now is 462.8 secs Computing kpt #: 163 total cpu time spent up to now is 465.1 secs Computing kpt #: 164 total cpu time spent up to now is 467.4 secs Computing kpt #: 165 total cpu time spent up to now is 470.0 secs Computing kpt #: 166 total cpu time spent up to now is 472.7 secs Computing kpt #: 167 total cpu time spent up to now is 475.4 secs Computing kpt #: 168 total cpu time spent up to now is 478.3 secs Computing kpt #: 169 total cpu time spent up to now is 481.4 secs Computing kpt #: 170 total cpu time spent up to now is 484.3 secs Computing kpt #: 171 total cpu time spent up to now is 487.6 secs Computing kpt #: 172 total cpu time spent up to now is 491.0 secs Computing kpt #: 173 total cpu time spent up to now is 494.2 secs Computing kpt #: 174 total cpu time spent up to now is 497.5 secs Computing kpt #: 175 total cpu time spent up to now is 500.5 secs Computing kpt #: 176 total cpu time spent up to now is 503.3 secs Computing kpt #: 177 total cpu time spent up to now is 506.6 secs Computing kpt #: 178 total cpu time spent up to now is 509.9 secs Computing kpt #: 179 total cpu time spent up to now is 513.2 secs Computing kpt #: 180 total cpu time spent up to now is 516.8 secs Computing kpt #: 181 total cpu time spent up to now is 520.1 secs Computing kpt #: 182 total cpu time spent up to now is 523.0 secs Computing kpt #: 183 total cpu time spent up to now is 526.3 secs Computing kpt #: 184 total cpu time spent up to now is 529.4 secs Computing kpt #: 185 total cpu time spent up to now is 532.5 secs Computing kpt #: 186 total cpu time spent up to now is 535.4 secs Computing kpt #: 187 total cpu time spent up to now is 538.1 secs Computing kpt #: 188 total cpu time spent up to now is 540.6 secs Computing kpt #: 189 total cpu time spent up to now is 543.2 secs Computing kpt #: 190 total cpu time spent up to now is 545.3 secs Computing kpt #: 191 total cpu time spent up to now is 547.9 secs Computing kpt #: 192 total cpu time spent up to now is 550.5 secs Computing kpt #: 193 total cpu time spent up to now is 553.1 secs Computing kpt #: 194 total cpu time spent up to now is 555.6 secs Computing kpt #: 195 total cpu time spent up to now is 558.2 secs Computing kpt #: 196 total cpu time spent up to now is 560.5 secs Computing kpt #: 197 total cpu time spent up to now is 562.7 secs Computing kpt #: 198 total cpu time spent up to now is 565.0 secs Computing kpt #: 199 total cpu time spent up to now is 567.2 secs Computing kpt #: 200 total cpu time spent up to now is 569.5 secs Computing kpt #: 201 total cpu time spent up to now is 571.8 secs Computing kpt #: 202 total cpu time spent up to now is 574.0 secs Computing kpt #: 203 total cpu time spent up to now is 576.3 secs Computing kpt #: 204 total cpu time spent up to now is 578.5 secs Computing kpt #: 205 total cpu time spent up to now is 580.6 secs Computing kpt #: 206 total cpu time spent up to now is 582.9 secs Computing kpt #: 207 total cpu time spent up to now is 585.0 secs Computing kpt #: 208 total cpu time spent up to now is 587.2 secs Computing kpt #: 209 total cpu time spent up to now is 589.4 secs Computing kpt #: 210 total cpu time spent up to now is 591.6 secs Computing kpt #: 211 total cpu time spent up to now is 593.9 secs Computing kpt #: 212 total cpu time spent up to now is 596.0 secs Computing kpt #: 213 total cpu time spent up to now is 598.2 secs Computing kpt #: 214 total cpu time spent up to now is 600.5 secs Computing kpt #: 215 total cpu time spent up to now is 602.8 secs Computing kpt #: 216 total cpu time spent up to now is 605.1 secs Computing kpt #: 217 total cpu time spent up to now is 607.4 secs Computing kpt #: 218 total cpu time spent up to now is 610.0 secs Computing kpt #: 219 total cpu time spent up to now is 612.3 secs Computing kpt #: 220 total cpu time spent up to now is 614.9 secs Computing kpt #: 221 total cpu time spent up to now is 617.5 secs Computing kpt #: 222 total cpu time spent up to now is 620.1 secs Computing kpt #: 223 total cpu time spent up to now is 622.7 secs Computing kpt #: 224 total cpu time spent up to now is 625.4 secs Computing kpt #: 225 total cpu time spent up to now is 627.7 secs Computing kpt #: 226 total cpu time spent up to now is 630.5 secs Computing kpt #: 227 total cpu time spent up to now is 633.1 secs Computing kpt #: 228 total cpu time spent up to now is 635.8 secs Computing kpt #: 229 total cpu time spent up to now is 638.6 secs Computing kpt #: 230 total cpu time spent up to now is 641.4 secs Computing kpt #: 231 total cpu time spent up to now is 644.0 secs Computing kpt #: 232 total cpu time spent up to now is 646.7 secs Computing kpt #: 233 total cpu time spent up to now is 649.4 secs Computing kpt #: 234 total cpu time spent up to now is 652.0 secs Computing kpt #: 235 total cpu time spent up to now is 654.7 secs Computing kpt #: 236 total cpu time spent up to now is 657.4 secs Computing kpt #: 237 total cpu time spent up to now is 660.0 secs Computing kpt #: 238 total cpu time spent up to now is 662.7 secs Computing kpt #: 239 total cpu time spent up to now is 665.4 secs Computing kpt #: 240 total cpu time spent up to now is 668.2 secs Computing kpt #: 241 total cpu time spent up to now is 670.6 secs Computing kpt #: 242 total cpu time spent up to now is 673.1 secs Computing kpt #: 243 total cpu time spent up to now is 675.5 secs Computing kpt #: 244 total cpu time spent up to now is 678.2 secs Computing kpt #: 245 total cpu time spent up to now is 680.8 secs Computing kpt #: 246 total cpu time spent up to now is 683.0 secs Computing kpt #: 247 total cpu time spent up to now is 685.2 secs Computing kpt #: 248 total cpu time spent up to now is 687.7 secs Computing kpt #: 249 total cpu time spent up to now is 690.4 secs Computing kpt #: 250 total cpu time spent up to now is 693.1 secs Computing kpt #: 251 total cpu time spent up to now is 695.7 secs Computing kpt #: 252 total cpu time spent up to now is 698.5 secs Computing kpt #: 253 total cpu time spent up to now is 701.6 secs Computing kpt #: 254 total cpu time spent up to now is 704.3 secs Computing kpt #: 255 total cpu time spent up to now is 707.1 secs Computing kpt #: 256 total cpu time spent up to now is 709.9 secs Computing kpt #: 257 total cpu time spent up to now is 712.8 secs Computing kpt #: 258 total cpu time spent up to now is 715.1 secs Computing kpt #: 259 total cpu time spent up to now is 718.0 secs Computing kpt #: 260 total cpu time spent up to now is 720.9 secs Computing kpt #: 261 total cpu time spent up to now is 723.8 secs Computing kpt #: 262 total cpu time spent up to now is 726.2 secs Computing kpt #: 263 total cpu time spent up to now is 729.4 secs Computing kpt #: 264 total cpu time spent up to now is 732.8 secs Computing kpt #: 265 total cpu time spent up to now is 736.5 secs Computing kpt #: 266 total cpu time spent up to now is 739.7 secs Computing kpt #: 267 total cpu time spent up to now is 743.5 secs Computing kpt #: 268 total cpu time spent up to now is 747.4 secs Computing kpt #: 269 total cpu time spent up to now is 751.3 secs Computing kpt #: 270 total cpu time spent up to now is 754.6 secs Computing kpt #: 271 total cpu time spent up to now is 757.7 secs Computing kpt #: 272 total cpu time spent up to now is 760.5 secs Computing kpt #: 273 total cpu time spent up to now is 763.2 secs Computing kpt #: 274 total cpu time spent up to now is 765.9 secs Computing kpt #: 275 total cpu time spent up to now is 768.5 secs Computing kpt #: 276 total cpu time spent up to now is 771.0 secs Computing kpt #: 277 total cpu time spent up to now is 773.3 secs Computing kpt #: 278 total cpu time spent up to now is 775.6 secs Computing kpt #: 279 total cpu time spent up to now is 778.2 secs Computing kpt #: 280 total cpu time spent up to now is 780.4 secs Computing kpt #: 281 total cpu time spent up to now is 782.6 secs Computing kpt #: 282 total cpu time spent up to now is 784.8 secs Computing kpt #: 283 total cpu time spent up to now is 787.1 secs Computing kpt #: 284 total cpu time spent up to now is 789.3 secs ethr = 1.92E-08, avg # of iterations = 49.9 total cpu time spent up to now is 789.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 18399 PWs) bands (ev): -40.1903 -40.1903 -19.0519 -19.0519 -17.1182 -17.1182 -17.0431 -17.0431 -15.9348 -15.9348 -15.7212 -15.7212 -15.5500 -15.5500 -6.5135 -6.5135 -6.1828 -6.1828 -6.0285 -6.0285 -4.8183 -4.8183 -3.6700 -3.6700 -3.4150 -3.4150 -3.0873 -3.0873 -2.6866 -2.6866 -2.5322 -2.5322 -1.0904 -1.0904 -0.8978 -0.8978 0.0582 0.0582 0.2558 0.2558 0.4260 0.4260 0.5933 0.5933 1.0828 1.0828 1.1161 1.1161 2.0182 2.0182 2.4579 2.4579 7.4515 7.4515 8.1508 8.1508 8.8043 8.8043 8.9898 8.9898 9.7108 9.7108 k = 0.0179 0.0085-0.0069 ( 18385 PWs) bands (ev): -40.1903 -40.1903 -19.0519 -19.0519 -17.1182 -17.1182 -17.0431 -17.0431 -15.9353 -15.9352 -15.7207 -15.7207 -15.5500 -15.5500 -6.5140 -6.5132 -6.1826 -6.1826 -6.0286 -6.0286 -4.8196 -4.8164 -3.6696 -3.6692 -3.4161 -3.4136 -3.0908 -3.0844 -2.6878 -2.6852 -2.5332 -2.5324 -1.0904 -1.0899 -0.8988 -0.8972 0.0581 0.0583 0.2543 0.2556 0.4252 0.4265 0.5929 0.5929 1.0821 1.0828 1.1161 1.1162 2.0185 2.0186 2.4582 2.4586 7.4507 7.4515 8.1536 8.1537 8.8043 8.8043 8.9883 8.9887 9.7133 9.7136 k = 0.0357 0.0170-0.0138 ( 18392 PWs) bands (ev): -40.1903 -40.1903 -19.0517 -19.0517 -17.1183 -17.1183 -17.0433 -17.0433 -15.9367 -15.9366 -15.7192 -15.7191 -15.5501 -15.5501 -6.5147 -6.5132 -6.1820 -6.1819 -6.0287 -6.0287 -4.8203 -4.8140 -3.6680 -3.6671 -3.4170 -3.4120 -3.0948 -3.0821 -2.6888 -2.6837 -2.5353 -2.5337 -1.0898 -1.0890 -0.9002 -0.8970 0.0580 0.0584 0.2511 0.2536 0.4240 0.4265 0.5916 0.5918 1.0806 1.0820 1.1161 1.1163 2.0196 2.0197 2.4594 2.4603 7.4491 7.4508 8.1623 8.1624 8.8042 8.8043 8.9841 8.9849 9.7208 9.7214 k = 0.0536 0.0255-0.0207 ( 18386 PWs) bands (ev): -40.1903 -40.1903 -19.0515 -19.0515 -17.1185 -17.1185 -17.0436 -17.0436 -15.9390 -15.9389 -15.7168 -15.7166 -15.5501 -15.5501 -6.5158 -6.5136 -6.1811 -6.1809 -6.0288 -6.0288 -4.8205 -4.8112 -3.6651 -3.6637 -3.4177 -3.4101 -3.0994 -3.0804 -2.6896 -2.6819 -2.5387 -2.5362 -1.0889 -1.0876 -0.9019 -0.8972 0.0578 0.0585 0.2463 0.2500 0.4225 0.4261 0.5896 0.5898 1.0783 1.0805 1.1162 1.1165 2.0213 2.0215 2.4615 2.4628 7.4469 7.4494 8.1764 8.1767 8.8041 8.8043 8.9776 8.9787 9.7331 9.7341 k = 0.0714 0.0340-0.0276 ( 18376 PWs) bands (ev): -40.1903 -40.1903 -19.0512 -19.0512 -17.1187 -17.1187 -17.0439 -17.0439 -15.9421 -15.9419 -15.7134 -15.7133 -15.5501 -15.5501 -6.5170 -6.5141 -6.1797 -6.1795 -6.0290 -6.0290 -4.8202 -4.8078 -3.6610 -3.6592 -3.4181 -3.4079 -3.1045 -3.0793 -2.6902 -2.6800 -2.5431 -2.5399 -1.0874 -1.0858 -0.9039 -0.8978 0.0576 0.0586 0.2399 0.2447 0.4207 0.4253 0.5869 0.5871 1.0754 1.0782 1.1164 1.1169 2.0238 2.0240 2.4644 2.4662 7.4444 7.4477 8.1958 8.1961 8.8040 8.8042 8.9692 8.9705 9.7496 9.7510 k = 0.0893 0.0424-0.0345 ( 18368 PWs) bands (ev): -40.1903 -40.1903 -19.0509 -19.0509 -17.1190 -17.1190 -17.0444 -17.0444 -15.9458 -15.9457 -15.7093 -15.7091 -15.5501 -15.5501 -6.5184 -6.5149 -6.1780 -6.1777 -6.0292 -6.0292 -4.8192 -4.8041 -3.6556 -3.6536 -3.4184 -3.4054 -3.1101 -3.0788 -2.6906 -2.6780 -2.5486 -2.5446 -1.0856 -1.0835 -0.9063 -0.8987 0.0574 0.0586 0.2320 0.2377 0.4185 0.4239 0.5835 0.5838 1.0719 1.0752 1.1169 1.1175 2.0268 2.0271 2.4681 2.4703 7.4418 7.4458 8.2198 8.2204 8.8038 8.8041 8.9594 8.9609 9.7696 9.7715 k = 0.1071 0.0509-0.0415 ( 18361 PWs) bands (ev): -40.1903 -40.1903 -19.0504 -19.0504 -17.1193 -17.1193 -17.0450 -17.0450 -15.9501 -15.9500 -15.7046 -15.7044 -15.5501 -15.5501 -6.5201 -6.5160 -6.1760 -6.1756 -6.0295 -6.0295 -4.8177 -4.8000 -3.6492 -3.6468 -3.4185 -3.4026 -3.1161 -3.0790 -2.6908 -2.6759 -2.5552 -2.5505 -1.0833 -1.0808 -0.9088 -0.9000 0.0571 0.0586 0.2226 0.2291 0.4159 0.4220 0.5795 0.5798 1.0680 1.0717 1.1175 1.1183 2.0305 2.0308 2.4724 2.4750 7.4395 7.4441 8.2482 8.2490 8.8037 8.8040 8.9487 8.9503 9.7924 9.7949 k = 0.1250 0.0594-0.0484 ( 18365 PWs) bands (ev): -40.1903 -40.1903 -19.0499 -19.0499 -17.1197 -17.1197 -17.0456 -17.0456 -15.9549 -15.9547 -15.6994 -15.6991 -15.5502 -15.5502 -6.5218 -6.5172 -6.1737 -6.1733 -6.0298 -6.0298 -4.8157 -4.7955 -3.6416 -3.6391 -3.4184 -3.3994 -3.1225 -3.0797 -2.6909 -2.6737 -2.5627 -2.5573 -1.0807 -1.0777 -0.9116 -0.9016 0.0568 0.0586 0.2118 0.2190 0.4130 0.4196 0.5749 0.5753 1.0637 1.0678 1.1183 1.1192 2.0347 2.0351 2.4772 2.4802 7.4376 7.4428 8.2802 8.2814 8.8035 8.8039 8.9377 8.9393 9.8172 9.8204 k = 0.1429 0.0679-0.0553 ( 18344 PWs) bands (ev): -40.1903 -40.1903 -19.0493 -19.0493 -17.1202 -17.1201 -17.0464 -17.0463 -15.9600 -15.9598 -15.6938 -15.6935 -15.5502 -15.5502 -6.5237 -6.5186 -6.1712 -6.1707 -6.0302 -6.0302 -4.8132 -4.7908 -3.6329 -3.6303 -3.4180 -3.3957 -3.1294 -3.0810 -2.6909 -2.6715 -2.5711 -2.5652 -1.0778 -1.0743 -0.9145 -0.9034 0.0563 0.0585 0.1998 0.2074 0.4097 0.4166 0.5700 0.5704 1.0594 1.0636 1.1193 1.1203 2.0394 2.0398 2.4825 2.4858 7.4364 7.4422 8.3154 8.3169 8.8034 8.8038 8.9270 8.9285 9.8430 9.8472 k = 0.1607 0.0764-0.0622 ( 18361 PWs) bands (ev): -40.1903 -40.1903 -19.0487 -19.0487 -17.1207 -17.1206 -17.0471 -17.0471 -15.9653 -15.9651 -15.6878 -15.6876 -15.5503 -15.5502 -6.5256 -6.5202 -6.1685 -6.1679 -6.0306 -6.0306 -4.8102 -4.7859 -3.6233 -3.6207 -3.4174 -3.3916 -3.1366 -3.0828 -2.6907 -2.6693 -2.5803 -2.5739 -1.0746 -1.0707 -0.9174 -0.9055 0.0557 0.0584 0.1865 0.1945 0.4060 0.4132 0.5647 0.5652 1.0551 1.0593 1.1204 1.1214 2.0445 2.0450 2.4880 2.4916 7.4362 7.4424 8.3530 8.3551 8.8032 8.8037 8.9172 8.9185 9.8687 9.8742 k = 0.1786 0.0849-0.0691 ( 18361 PWs) bands (ev): -40.1903 -40.1903 -19.0480 -19.0480 -17.1212 -17.1211 -17.0480 -17.0480 -15.9707 -15.9706 -15.6818 -15.6815 -15.5503 -15.5503 -6.5276 -6.5219 -6.1656 -6.1649 -6.0310 -6.0310 -4.8067 -4.7809 -3.6128 -3.6104 -3.4166 -3.3871 -3.1440 -3.0853 -2.6904 -2.6673 -2.5901 -2.5833 -1.0713 -1.0668 -0.9202 -0.9077 0.0549 0.0582 0.1722 0.1803 0.4021 0.4093 0.5592 0.5597 1.0510 1.0552 1.1216 1.1226 2.0500 2.0505 2.4937 2.4975 7.4370 7.4435 8.3924 8.3951 8.8031 8.8036 8.9089 8.9099 9.8933 9.9003 k = 0.1964 0.0934-0.0760 ( 18358 PWs) bands (ev): -40.1903 -40.1903 -19.0473 -19.0473 -17.1217 -17.1217 -17.0489 -17.0489 -15.9762 -15.9761 -15.6756 -15.6753 -15.5503 -15.5503 -6.5296 -6.5237 -6.1627 -6.1618 -6.0315 -6.0315 -4.8029 -4.7757 -3.6015 -3.5994 -3.4155 -3.3821 -3.1518 -3.0883 -2.6901 -2.6656 -2.6004 -2.5935 -1.0679 -1.0628 -0.9229 -0.9100 0.0539 0.0579 0.1571 0.1651 0.3979 0.4051 0.5535 0.5540 1.0472 1.0512 1.1228 1.1238 2.0558 2.0563 2.4994 2.5035 7.4389 7.4458 8.4327 8.4361 8.8030 8.8036 8.9028 8.9033 9.9156 9.9242 k = 0.2143 0.1019-0.0829 ( 18365 PWs) bands (ev): -40.1903 -40.1903 -19.0465 -19.0465 -17.1223 -17.1223 -17.0498 -17.0498 -15.9817 -15.9815 -15.6694 -15.6691 -15.5504 -15.5504 -6.5316 -6.5255 -6.1596 -6.1587 -6.0320 -6.0319 -4.7987 -4.7706 -3.5895 -3.5879 -3.4141 -3.3765 -3.1597 -3.0918 -2.6899 -2.6643 -2.6110 -2.6041 -1.0645 -1.0588 -0.9253 -0.9123 0.0524 0.0573 0.1414 0.1489 0.3935 0.4007 0.5478 0.5483 1.0439 1.0476 1.1239 1.1250 2.0617 2.0623 2.5051 2.5093 7.4419 7.4490 8.4728 8.4771 8.8029 8.8036 8.8999 8.9000 9.9342 9.9447 k = 0.2321 0.1104-0.0898 ( 18363 PWs) bands (ev): -40.1903 -40.1903 -19.0458 -19.0457 -17.1229 -17.1229 -17.0508 -17.0508 -15.9871 -15.9869 -15.6633 -15.6630 -15.5504 -15.5504 -6.5335 -6.5274 -6.1565 -6.1556 -6.0324 -6.0324 -4.7942 -4.7655 -3.5769 -3.5760 -3.4123 -3.3703 -3.1679 -3.0958 -2.6898 -2.6640 -2.6212 -2.6150 -1.0612 -1.0548 -0.9274 -0.9145 0.0502 0.0566 0.1256 0.1320 0.3890 0.3960 0.5420 0.5425 1.0410 1.0444 1.1251 1.1261 2.0678 2.0683 2.5107 2.5150 7.4461 7.4534 8.5114 8.5166 8.8029 8.8036 8.9007 8.9015 9.9482 9.9603 k = 0.2500 0.1188-0.0967 ( 18363 PWs) bands (ev): -40.1903 -40.1903 -19.0450 -19.0450 -17.1235 -17.1235 -17.0518 -17.0518 -15.9923 -15.9921 -15.6573 -15.6570 -15.5505 -15.5505 -6.5354 -6.5293 -6.1535 -6.1524 -6.0329 -6.0329 -4.7895 -4.7605 -3.5640 -3.5639 -3.4102 -3.3636 -3.1761 -3.1003 -2.6899 -2.6654 -2.6302 -2.6260 -1.0582 -1.0510 -0.9289 -0.9165 0.0469 0.0552 0.1103 0.1150 0.3845 0.3913 0.5364 0.5369 1.0385 1.0417 1.1261 1.1272 2.0739 2.0745 2.5160 2.5203 7.4514 7.4587 8.5470 8.5531 8.8030 8.8037 8.9072 8.9088 9.9567 9.9699 k = 0.2679 0.1273-0.1036 ( 18375 PWs) bands (ev): -40.1903 -40.1903 -19.0442 -19.0442 -17.1241 -17.1241 -17.0528 -17.0528 -15.9973 -15.9971 -15.6515 -15.6512 -15.5505 -15.5505 -6.5371 -6.5312 -6.1504 -6.1494 -6.0334 -6.0334 -4.7846 -4.7557 -3.5517 -3.5508 -3.4076 -3.3564 -3.1845 -3.1054 -2.6908 -2.6696 -2.6368 -2.6365 -1.0555 -1.0475 -0.9299 -0.9181 0.0417 0.0528 0.0965 0.0984 0.3801 0.3866 0.5309 0.5314 1.0366 1.0394 1.1271 1.1281 2.0800 2.0806 2.5211 2.5254 7.4576 7.4649 8.5777 8.5847 8.8031 8.8038 8.9211 8.9235 9.9595 9.9731 k = 0.2857 0.1358-0.1105 ( 18379 PWs) bands (ev): -40.1903 -40.1903 -19.0434 -19.0434 -17.1247 -17.1247 -17.0537 -17.0537 -16.0021 -16.0019 -15.6460 -15.6457 -15.5506 -15.5506 -6.5388 -6.5330 -6.1475 -6.1464 -6.0339 -6.0338 -4.7795 -4.7511 -3.5396 -3.5376 -3.4044 -3.3485 -3.1929 -3.1108 -2.6927 -2.6773 -2.6459 -2.6404 -1.0531 -1.0444 -0.9301 -0.9194 0.0336 0.0480 0.0840 0.0854 0.3757 0.3820 0.5256 0.5261 1.0351 1.0375 1.1280 1.1290 2.0860 2.0866 2.5259 2.5301 7.4647 7.4719 8.6022 8.6097 8.8034 8.8040 8.9439 8.9468 9.9572 9.9703 k = 0.3036 0.1443-0.1174 ( 18384 PWs) bands (ev): -40.1903 -40.1903 -19.0426 -19.0426 -17.1253 -17.1253 -17.0547 -17.0547 -16.0066 -16.0064 -15.6407 -15.6405 -15.5506 -15.5506 -6.5404 -6.5348 -6.1447 -6.1435 -6.0343 -6.0343 -4.7744 -4.7469 -3.5278 -3.5246 -3.4007 -3.3401 -3.2012 -3.1168 -2.6965 -2.6872 -2.6534 -2.6419 -1.0513 -1.0418 -0.9297 -0.9201 0.0222 0.0388 0.0740 0.0777 0.3716 0.3775 0.5206 0.5210 1.0340 1.0361 1.1288 1.1298 2.0918 2.0924 2.5304 2.5345 7.4724 7.4794 8.6200 8.6277 8.8037 8.8042 8.9758 8.9788 9.9506 9.9625 k = 0.3214 0.1528-0.1244 ( 18377 PWs) bands (ev): -40.1903 -40.1903 -19.0419 -19.0419 -17.1259 -17.1259 -17.0556 -17.0556 -16.0108 -16.0106 -15.6358 -15.6356 -15.5507 -15.5507 -6.5418 -6.5365 -6.1420 -6.1409 -6.0347 -6.0347 -4.7693 -4.7430 -3.5164 -3.5121 -3.3961 -3.3311 -3.2095 -3.1232 -2.7027 -2.6982 -2.6584 -2.6424 -1.0499 -1.0398 -0.9286 -0.9202 0.0086 0.0251 0.0686 0.0727 0.3677 0.3732 0.5159 0.5163 1.0333 1.0351 1.1296 1.1304 2.0974 2.0979 2.5345 2.5384 7.4806 7.4873 8.6318 8.6391 8.8040 8.8044 9.0161 9.0189 9.9408 9.9511 k = 0.3393 0.1613-0.1313 ( 18382 PWs) bands (ev): -40.1903 -40.1903 -19.0412 -19.0412 -17.1265 -17.1264 -17.0564 -17.0564 -16.0146 -16.0145 -15.6313 -15.6310 -15.5507 -15.5507 -6.5430 -6.5381 -6.1394 -6.1384 -6.0352 -6.0351 -4.7643 -4.7395 -3.5056 -3.5004 -3.3907 -3.3217 -3.2177 -3.1301 -2.7108 -2.7095 -2.6610 -2.6425 -1.0489 -1.0385 -0.9268 -0.9198 -0.0062 0.0093 0.0659 0.0695 0.3642 0.3692 0.5115 0.5119 1.0329 1.0343 1.1302 1.1310 2.1027 2.1031 2.5382 2.5418 7.4891 7.4954 8.6385 8.6453 8.8044 8.8047 9.0633 9.0656 9.9289 9.9373 k = 0.3571 0.1698-0.1382 ( 18376 PWs) bands (ev): -40.1903 -40.1903 -19.0406 -19.0406 -17.1270 -17.1269 -17.0572 -17.0572 -16.0181 -16.0180 -15.6271 -15.6269 -15.5507 -15.5507 -6.5441 -6.5396 -6.1371 -6.1361 -6.0355 -6.0355 -4.7594 -4.7364 -3.4956 -3.4897 -3.3843 -3.3121 -3.2257 -3.1374 -2.7206 -2.7201 -2.6618 -2.6426 -1.0483 -1.0379 -0.9246 -0.9188 -0.0211 -0.0069 0.0644 0.0674 0.3609 0.3655 0.5076 0.5079 1.0327 1.0339 1.1307 1.1315 2.1075 2.1080 2.5415 2.5449 7.4976 7.5034 8.6418 8.6479 8.8047 8.8050 9.1155 9.1172 9.9157 9.9222 k = 0.3750 0.1783-0.1451 ( 18378 PWs) bands (ev): -40.1903 -40.1903 -19.0400 -19.0400 -17.1275 -17.1274 -17.0580 -17.0580 -16.0213 -16.0212 -15.6234 -15.6232 -15.5508 -15.5508 -6.5451 -6.5410 -6.1350 -6.1341 -6.0359 -6.0358 -4.7547 -4.7339 -3.4864 -3.4802 -3.3770 -3.3024 -3.2332 -3.1452 -2.7312 -2.7298 -2.6615 -2.6428 -1.0480 -1.0378 -0.9220 -0.9174 -0.0353 -0.0227 0.0635 0.0659 0.3580 0.3622 0.5040 0.5043 1.0327 1.0337 1.1312 1.1318 2.1120 2.1124 2.5444 2.5475 7.5059 7.5112 8.6426 8.6480 8.8050 8.8053 9.1711 9.1722 9.9018 9.9064 k = 0.3929 0.1868-0.1520 ( 18373 PWs) bands (ev): -40.1903 -40.1903 -19.0395 -19.0395 -17.1279 -17.1279 -17.0586 -17.0586 -16.0240 -16.0239 -15.6201 -15.6199 -15.5508 -15.5508 -6.5459 -6.5423 -6.1331 -6.1323 -6.0362 -6.0361 -4.7502 -4.7318 -3.4782 -3.4722 -3.3686 -3.2934 -3.2398 -3.1534 -2.7409 -2.7391 -2.6606 -2.6432 -1.0478 -1.0382 -0.9192 -0.9157 -0.0484 -0.0373 0.0629 0.0647 0.3555 0.3592 0.5009 0.5012 1.0328 1.0336 1.1316 1.1321 2.1159 2.1163 2.5470 2.5497 7.5138 7.5185 8.6419 8.6465 8.8053 8.8055 9.2286 9.2292 9.8873 9.8901 k = 0.4107 0.1953-0.1589 ( 18374 PWs) bands (ev): -40.1903 -40.1903 -19.0390 -19.0390 -17.1283 -17.1282 -17.0592 -17.0592 -16.0263 -16.0263 -15.6173 -15.6172 -15.5508 -15.5508 -6.5465 -6.5434 -6.1315 -6.1307 -6.0364 -6.0364 -4.7461 -4.7303 -3.4711 -3.4656 -3.3594 -3.2863 -3.2443 -3.1621 -2.7495 -2.7477 -2.6592 -2.6439 -1.0476 -1.0391 -0.9165 -0.9138 -0.0599 -0.0505 0.0624 0.0639 0.3535 0.3565 0.4983 0.4985 1.0330 1.0336 1.1319 1.1324 2.1194 2.1197 2.5492 2.5515 7.5210 7.5250 8.6405 8.6443 8.8056 8.8058 9.2866 9.2868 9.8721 9.8733 k = 0.4286 0.2037-0.1658 ( 18372 PWs) bands (ev): -40.1903 -40.1903 -19.0386 -19.0386 -17.1286 -17.1285 -17.0597 -17.0597 -16.0283 -16.0282 -15.6150 -15.6149 -15.5508 -15.5508 -6.5469 -6.5444 -6.1301 -6.1295 -6.0367 -6.0366 -4.7423 -4.7294 -3.4651 -3.4604 -3.3496 -3.2834 -3.2446 -3.1712 -2.7569 -2.7552 -2.6576 -2.6448 -1.0474 -1.0402 -0.9139 -0.9120 -0.0696 -0.0619 0.0621 0.0632 0.3518 0.3543 0.4961 0.4963 1.0333 1.0337 1.1321 1.1325 2.1222 2.1225 2.5510 2.5529 7.5273 7.5306 8.6388 8.6418 8.8059 8.8060 9.3431 9.3433 9.8556 9.8559 k = 0.4464 0.2122-0.1727 ( 18370 PWs) bands (ev): -40.1903 -40.1903 -19.0383 -19.0383 -17.1288 -17.1288 -17.0600 -17.0600 -16.0298 -16.0297 -15.6132 -15.6131 -15.5508 -15.5508 -6.5472 -6.5453 -6.1290 -6.1285 -6.0368 -6.0368 -4.7389 -4.7291 -3.4603 -3.4567 -3.3394 -3.2859 -3.2396 -3.1807 -2.7628 -2.7614 -2.6559 -2.6459 -1.0471 -1.0414 -0.9117 -0.9104 -0.0771 -0.0713 0.0619 0.0627 0.3506 0.3525 0.4944 0.4946 1.0335 1.0338 1.1323 1.1326 2.1245 2.1247 2.5525 2.5539 7.5325 7.5350 8.6372 8.6394 8.8061 8.8062 9.3959 9.3962 9.8369 9.8381 k = 0.4643 0.2207-0.1796 ( 18388 PWs) bands (ev): -40.1903 -40.1903 -19.0381 -19.0381 -17.1290 -17.1290 -17.0603 -17.0603 -16.0308 -16.0308 -15.6118 -15.6118 -15.5509 -15.5509 -6.5473 -6.5460 -6.1282 -6.1278 -6.0370 -6.0369 -4.7359 -4.7293 -3.4567 -3.4542 -3.3292 -3.2921 -3.2312 -3.1906 -2.7670 -2.7661 -2.6540 -2.6473 -1.0466 -1.0427 -0.9100 -0.9092 -0.0824 -0.0784 0.0618 0.0623 0.3498 0.3511 0.4932 0.4933 1.0337 1.0339 1.1325 1.1327 2.1262 2.1263 2.5536 2.5546 7.5365 7.5382 8.6359 8.6374 8.8062 8.8063 9.4414 9.4417 9.8181 9.8195 k = 0.4821 0.2292-0.1865 ( 18386 PWs) bands (ev): -40.1903 -40.1903 -19.0380 -19.0380 -17.1291 -17.1291 -17.0605 -17.0605 -16.0315 -16.0315 -15.6110 -15.6110 -15.5509 -15.5509 -6.5472 -6.5466 -6.1276 -6.1275 -6.0370 -6.0370 -4.7335 -4.7301 -3.4543 -3.4530 -3.3191 -3.3002 -3.2214 -3.2008 -2.7695 -2.7690 -2.6522 -2.6488 -1.0459 -1.0439 -0.9089 -0.9085 -0.0851 -0.0832 0.0618 0.0621 0.3495 0.3501 0.4925 0.4925 1.0339 1.0339 1.1326 1.1327 2.1272 2.1272 2.5544 2.5548 7.5392 7.5400 8.6352 8.6360 8.8063 8.8064 9.4738 9.4739 9.8028 9.8037 k = 0.5000 0.2377-0.1934 ( 18390 PWs) bands (ev): -40.1903 -40.1903 -19.0379 -19.0379 -17.1291 -17.1291 -17.0605 -17.0605 -16.0317 -16.0317 -15.6108 -15.6108 -15.5509 -15.5509 -6.5470 -6.5470 -6.1274 -6.1274 -6.0371 -6.0371 -4.7315 -4.7315 -3.4531 -3.4531 -3.3093 -3.3093 -3.2111 -3.2111 -2.7702 -2.7702 -2.6505 -2.6505 -1.0450 -1.0450 -0.9084 -0.9084 -0.0854 -0.0854 0.0619 0.0619 0.3496 0.3496 0.4923 0.4923 1.0339 1.0339 1.1327 1.1327 2.1275 2.1275 2.5548 2.5548 7.5403 7.5403 8.6353 8.6353 8.8064 8.8064 9.4858 9.4858 9.7969 9.7969 k = 0.5000 0.2377-0.1934 ( 18390 PWs) bands (ev): -40.1903 -40.1903 -19.0379 -19.0379 -17.1291 -17.1291 -17.0605 -17.0605 -16.0317 -16.0317 -15.6108 -15.6108 -15.5509 -15.5509 -6.5470 -6.5470 -6.1274 -6.1274 -6.0371 -6.0371 -4.7315 -4.7315 -3.4531 -3.4531 -3.3093 -3.3093 -3.2111 -3.2111 -2.7702 -2.7702 -2.6505 -2.6505 -1.0450 -1.0450 -0.9084 -0.9084 -0.0854 -0.0854 0.0619 0.0619 0.3496 0.3496 0.4923 0.4923 1.0339 1.0339 1.1327 1.1327 2.1275 2.1275 2.5548 2.5548 7.5403 7.5403 8.6353 8.6353 8.8064 8.8064 9.4858 9.4858 9.7969 9.7969 k = 0.5062 0.2406-0.1738 ( 18394 PWs) bands (ev): -40.1903 -40.1903 -19.0379 -19.0379 -17.1291 -17.1291 -17.0604 -17.0604 -16.0318 -16.0318 -15.6109 -15.6109 -15.5508 -15.5508 -6.5489 -6.5485 -6.1260 -6.1249 -6.0373 -6.0372 -4.7327 -4.7306 -3.4538 -3.4526 -3.3132 -3.3055 -3.2130 -3.2095 -2.7699 -2.7699 -2.6516 -2.6502 -1.0464 -1.0446 -0.9082 -0.9078 -0.0860 -0.0851 0.0619 0.0619 0.3499 0.3508 0.4919 0.4920 1.0337 1.0341 1.1327 1.1327 2.1275 2.1275 2.5554 2.5557 7.5425 7.5430 8.6347 8.6359 8.8072 8.8075 9.4836 9.4837 9.7904 9.7953 k = 0.5124 0.2436-0.1541 ( 18384 PWs) bands (ev): -40.1903 -40.1903 -19.0377 -19.0377 -17.1289 -17.1289 -17.0602 -17.0602 -16.0321 -16.0321 -15.6113 -15.6113 -15.5508 -15.5508 -6.5542 -6.5534 -6.1209 -6.1187 -6.0379 -6.0378 -4.7340 -4.7300 -3.4548 -3.4524 -3.3173 -3.3018 -3.2153 -3.2081 -2.7690 -2.7690 -2.6535 -2.6508 -1.0485 -1.0452 -0.9073 -0.9065 -0.0867 -0.0851 0.0618 0.0619 0.3517 0.3536 0.4908 0.4912 1.0333 1.0341 1.1328 1.1329 2.1275 2.1275 2.5577 2.5581 7.5495 7.5504 8.6343 8.6366 8.8099 8.8105 9.4772 9.4773 9.7785 9.7866 k = 0.5186 0.2465-0.1345 ( 18376 PWs) bands (ev): -40.1903 -40.1903 -19.0374 -19.0374 -17.1287 -17.1287 -17.0598 -17.0598 -16.0326 -16.0326 -15.6119 -15.6119 -15.5507 -15.5507 -6.5625 -6.5613 -6.1123 -6.1091 -6.0389 -6.0388 -4.7357 -4.7297 -3.4560 -3.4524 -3.3215 -3.2982 -3.2179 -3.2068 -2.7676 -2.7675 -2.6563 -2.6522 -1.0515 -1.0467 -0.9055 -0.9045 -0.0876 -0.0853 0.0618 0.0619 0.3549 0.3579 0.4892 0.4898 1.0328 1.0340 1.1330 1.1331 2.1274 2.1274 2.5614 2.5620 7.5612 7.5625 8.6338 8.6374 8.8146 8.8155 9.4675 9.4676 9.7647 9.7743 k = 0.5248 0.2495-0.1148 ( 18381 PWs) bands (ev): -40.1903 -40.1903 -19.0370 -19.0370 -17.1284 -17.1283 -17.0593 -17.0593 -16.0334 -16.0334 -15.6128 -15.6128 -15.5506 -15.5506 -6.5733 -6.5720 -6.1007 -6.0965 -6.0403 -6.0402 -4.7375 -4.7296 -3.4574 -3.4528 -3.3259 -3.2948 -3.2208 -3.2056 -2.7655 -2.7654 -2.6598 -2.6545 -1.0551 -1.0492 -0.9030 -0.9019 -0.0885 -0.0857 0.0617 0.0619 0.3595 0.3636 0.4870 0.4878 1.0322 1.0338 1.1333 1.1334 2.1272 2.1273 2.5667 2.5674 7.5774 7.5792 8.6332 8.6381 8.8211 8.8224 9.4554 9.4557 9.7514 9.7612 k = 0.5310 0.2524-0.0951 ( 18379 PWs) bands (ev): -40.1903 -40.1903 -19.0366 -19.0365 -17.1280 -17.1279 -17.0586 -17.0586 -16.0343 -16.0343 -15.6140 -15.6140 -15.5505 -15.5505 -6.5863 -6.5848 -6.0866 -6.0814 -6.0421 -6.0419 -4.7396 -4.7298 -3.4590 -3.4535 -3.3305 -3.2918 -3.2238 -3.2043 -2.7630 -2.7628 -2.6640 -2.6577 -1.0593 -1.0527 -0.8997 -0.8988 -0.0894 -0.0863 0.0616 0.0619 0.3652 0.3705 0.4842 0.4853 1.0315 1.0334 1.1337 1.1337 2.1271 2.1272 2.5734 2.5744 7.5979 7.6001 8.6325 8.6386 8.8295 8.8311 9.4423 9.4429 9.7395 9.7488 k = 0.5372 0.2554-0.0755 ( 18383 PWs) bands (ev): -40.1903 -40.1903 -19.0360 -19.0360 -17.1275 -17.1275 -17.0577 -17.0577 -16.0353 -16.0353 -15.6154 -15.6154 -15.5503 -15.5503 -6.6010 -6.5993 -6.0706 -6.0645 -6.0442 -6.0437 -4.7418 -4.7303 -3.4608 -3.4545 -3.3354 -3.2893 -3.2267 -3.2027 -2.7599 -2.7596 -2.6688 -2.6616 -1.0640 -1.0571 -0.8958 -0.8952 -0.0901 -0.0869 0.0615 0.0619 0.3719 0.3785 0.4809 0.4823 1.0306 1.0329 1.1341 1.1342 2.1269 2.1270 2.5817 2.5828 7.6224 7.6250 8.6313 8.6389 8.8397 8.8416 9.4297 9.4307 9.7294 9.7376 k = 0.5434 0.2583-0.0558 ( 18379 PWs) bands (ev): -40.1903 -40.1903 -19.0353 -19.0353 -17.1270 -17.1270 -17.0567 -17.0567 -16.0366 -16.0366 -15.6170 -15.6170 -15.5501 -15.5501 -6.6168 -6.6151 -6.0544 -6.0484 -6.0444 -6.0441 -4.7443 -4.7311 -3.4629 -3.4560 -3.3405 -3.2877 -3.2290 -3.2009 -2.7563 -2.7560 -2.6742 -2.6664 -1.0693 -1.0622 -0.8914 -0.8912 -0.0905 -0.0875 0.0613 0.0618 0.3794 0.3873 0.4771 0.4789 1.0296 1.0321 1.1346 1.1347 2.1266 2.1267 2.5914 2.5926 7.6504 7.6534 8.6299 8.6389 8.8515 8.8538 9.4190 9.4202 9.7209 9.7278 k = 0.5496 0.2613-0.0361 ( 18379 PWs) bands (ev): -40.1903 -40.1903 -19.0345 -19.0345 -17.1265 -17.1265 -17.0554 -17.0554 -16.0380 -16.0380 -15.6188 -15.6188 -15.5499 -15.5499 -6.6335 -6.6318 -6.0508 -6.0499 -6.0317 -6.0257 -4.7469 -4.7321 -3.4652 -3.4579 -3.3458 -3.2874 -3.2304 -3.1986 -2.7522 -2.7518 -2.6802 -2.6719 -1.0749 -1.0680 -0.8867 -0.8865 -0.0906 -0.0880 0.0612 0.0618 0.3874 0.3968 0.4728 0.4751 1.0284 1.0313 1.1352 1.1353 2.1263 2.1264 2.6026 2.6039 7.6815 7.6849 8.6280 8.6386 8.8651 8.8677 9.4111 9.4126 9.7142 9.7195 k = 0.5558 0.2642-0.0165 ( 18397 PWs) bands (ev): -40.1903 -40.1903 -19.0337 -19.0337 -17.1260 -17.1260 -17.0540 -17.0539 -16.0395 -16.0395 -15.6209 -15.6209 -15.5497 -15.5497 -6.6508 -6.6491 -6.0533 -6.0529 -6.0123 -6.0052 -4.7497 -4.7335 -3.4677 -3.4603 -3.3512 -3.2889 -3.2305 -3.1959 -2.7478 -2.7473 -2.6865 -2.6780 -1.0808 -1.0744 -0.8820 -0.8813 -0.0902 -0.0882 0.0610 0.0617 0.3957 0.4068 0.4681 0.4711 1.0270 1.0302 1.1359 1.1359 2.1259 2.1261 2.6151 2.6165 7.7150 7.7187 8.6258 8.6380 8.8802 8.8832 9.4069 9.4088 9.7091 9.7127 k = 0.5621 0.2672 0.0032 ( 18392 PWs) bands (ev): -40.1903 -40.1903 -19.0328 -19.0327 -17.1255 -17.1255 -17.0523 -17.0523 -16.0411 -16.0411 -15.6232 -15.6232 -15.5495 -15.5495 -6.6683 -6.6666 -6.0565 -6.0562 -5.9920 -5.9842 -4.7527 -4.7351 -3.4704 -3.4632 -3.3567 -3.2922 -3.2289 -3.1926 -2.7430 -2.7423 -2.6930 -2.6848 -1.0870 -1.0811 -0.8770 -0.8759 -0.0893 -0.0882 0.0608 0.0617 0.4039 0.4170 0.4630 0.4670 1.0256 1.0290 1.1366 1.1367 2.1254 2.1256 2.6289 2.6304 7.7502 7.7543 8.6237 8.6374 8.8968 8.9001 9.4068 9.4093 9.7060 9.7075 k = 0.5683 0.2701 0.0229 ( 18394 PWs) bands (ev): -40.1903 -40.1903 -19.0318 -19.0318 -17.1251 -17.1250 -17.0504 -17.0504 -16.0429 -16.0429 -15.6256 -15.6256 -15.5492 -15.5492 -6.6859 -6.6843 -6.0600 -6.0598 -5.9712 -5.9629 -4.7557 -4.7371 -3.4734 -3.4666 -3.3621 -3.2972 -3.2259 -3.1888 -2.7381 -2.7371 -2.6997 -2.6920 -1.0934 -1.0881 -0.8719 -0.8704 -0.0879 -0.0878 0.0606 0.0616 0.4117 0.4273 0.4577 0.4632 1.0240 1.0276 1.1373 1.1374 2.1249 2.1251 2.6439 2.6455 7.7863 7.7907 8.6219 8.6371 8.9147 8.9184 9.4111 9.4144 9.7043 9.7052 k = 0.5745 0.2731 0.0425 ( 18389 PWs) bands (ev): -40.1903 -40.1903 -19.0308 -19.0307 -17.1247 -17.1247 -17.0484 -17.0483 -16.0447 -16.0446 -15.6283 -15.6283 -15.5489 -15.5489 -6.7034 -6.7019 -6.0637 -6.0635 -5.9503 -5.9416 -4.7589 -4.7393 -3.4767 -3.4705 -3.3675 -3.3035 -3.2217 -3.1846 -2.7334 -2.7320 -2.7059 -2.6995 -1.0998 -1.0952 -0.8667 -0.8649 -0.0869 -0.0859 0.0603 0.0615 0.4185 0.4373 0.4522 0.4601 1.0224 1.0261 1.1381 1.1383 2.1242 2.1244 2.6601 2.6617 7.8223 7.8270 8.6209 8.6377 8.9337 8.9379 9.4195 9.4238 9.7036 9.7073 k = 0.5807 0.2760 0.0622 ( 18383 PWs) bands (ev): -40.1903 -40.1903 -19.0297 -19.0297 -17.1244 -17.1244 -17.0461 -17.0461 -16.0465 -16.0465 -15.6311 -15.6311 -15.5486 -15.5486 -6.7206 -6.7192 -6.0676 -6.0675 -5.9295 -5.9204 -4.7622 -4.7419 -3.4802 -3.4750 -3.3726 -3.3108 -3.2165 -3.1798 -2.7301 -2.7275 -2.7106 -2.7063 -1.1062 -1.1024 -0.8615 -0.8595 -0.0857 -0.0833 0.0601 0.0614 0.4232 0.4458 0.4477 0.4585 1.0207 1.0245 1.1390 1.1392 2.1235 2.1237 2.6773 2.6789 7.8574 7.8622 8.6215 8.6396 8.9538 8.9584 9.4315 9.4373 9.7063 9.7132 k = 0.5869 0.2790 0.0819 ( 18363 PWs) bands (ev): -40.1903 -40.1903 -19.0286 -19.0285 -17.1242 -17.1241 -17.0436 -17.0436 -16.0483 -16.0483 -15.6341 -15.6340 -15.5483 -15.5483 -6.7375 -6.7362 -6.0716 -6.0715 -5.9089 -5.8995 -4.7655 -4.7447 -3.4841 -3.4800 -3.3775 -3.3187 -3.2108 -3.1745 -2.7307 -2.7268 -2.7111 -2.7096 -1.1126 -1.1094 -0.8563 -0.8544 -0.0839 -0.0801 0.0598 0.0613 0.4251 0.4405 0.4564 0.4592 1.0191 1.0229 1.1399 1.1401 2.1226 2.1228 2.6954 2.6970 7.8904 7.8953 8.6241 8.6435 8.9748 8.9798 9.4460 9.4537 9.7137 9.7242 k = 0.5931 0.2819 0.1015 ( 18370 PWs) bands (ev): -40.1903 -40.1903 -19.0274 -19.0274 -17.1241 -17.1240 -17.0410 -17.0410 -16.0502 -16.0501 -15.6372 -15.6372 -15.5480 -15.5480 -6.7539 -6.7527 -6.0757 -6.0756 -5.8888 -5.8790 -4.7688 -4.7477 -3.4882 -3.4855 -3.3820 -3.3271 -3.2045 -3.1688 -2.7355 -2.7323 -2.7072 -2.7067 -1.1189 -1.1163 -0.8513 -0.8494 -0.0816 -0.0764 0.0594 0.0611 0.4240 0.4346 0.4624 0.4649 1.0176 1.0213 1.1409 1.1410 2.1217 2.1219 2.7143 2.7159 7.9204 7.9253 8.6293 8.6499 8.9964 9.0018 9.4618 9.4716 9.7273 9.7418 k = 0.5993 0.2849 0.1212 ( 18368 PWs) bands (ev): -40.1903 -40.1903 -19.0263 -19.0263 -17.1241 -17.1240 -17.0382 -17.0382 -16.0519 -16.0519 -15.6404 -15.6404 -15.5476 -15.5476 -6.7698 -6.7686 -6.0799 -6.0797 -5.8691 -5.8592 -4.7721 -4.7510 -3.4927 -3.4913 -3.3862 -3.3358 -3.1980 -3.1628 -2.7417 -2.7407 -2.7014 -2.7010 -1.1249 -1.1228 -0.8464 -0.8448 -0.0788 -0.0722 0.0591 0.0609 0.4210 0.4288 0.4668 0.4726 1.0162 1.0197 1.1418 1.1420 2.1206 2.1208 2.7338 2.7354 7.9467 7.9515 8.6375 8.6590 9.0184 9.0242 9.4776 9.4894 9.7488 9.7674 k = 0.6055 0.2878 0.1408 ( 18377 PWs) bands (ev): -40.1903 -40.1903 -19.0252 -19.0251 -17.1241 -17.1241 -17.0353 -17.0353 -16.0536 -16.0536 -15.6438 -15.6438 -15.5473 -15.5473 -6.7850 -6.7839 -6.0840 -6.0839 -5.8501 -5.8401 -4.7754 -4.7546 -3.4975 -3.4974 -3.3900 -3.3445 -3.1912 -3.1566 -2.7500 -2.7483 -2.6949 -2.6944 -1.1307 -1.1290 -0.8417 -0.8405 -0.0756 -0.0675 0.0587 0.0607 0.4169 0.4231 0.4714 0.4793 1.0151 1.0183 1.1428 1.1430 2.1194 2.1196 2.7537 2.7554 7.9687 7.9732 8.6487 8.6709 9.0405 9.0467 9.4924 9.5056 9.7794 9.8020 k = 0.6117 0.2908 0.1605 ( 18388 PWs) bands (ev): -40.1903 -40.1903 -19.0240 -19.0240 -17.1243 -17.1242 -17.0323 -17.0323 -16.0552 -16.0552 -15.6472 -15.6472 -15.5470 -15.5470 -6.7995 -6.7985 -6.0881 -6.0880 -5.8318 -5.8217 -4.7787 -4.7584 -3.5037 -3.5026 -3.3935 -3.3532 -3.1844 -3.1501 -2.7596 -2.7548 -2.6881 -2.6874 -1.1361 -1.1348 -0.8374 -0.8365 -0.0719 -0.0625 0.0583 0.0605 0.4125 0.4175 0.4758 0.4850 1.0143 1.0171 1.1438 1.1440 2.1181 2.1183 2.7739 2.7756 7.9863 7.9903 8.6626 8.6853 9.0626 9.0691 9.5055 9.5195 9.8187 9.8459 k = 0.6179 0.2937 0.1802 ( 18377 PWs) bands (ev): -40.1903 -40.1903 -19.0229 -19.0229 -17.1245 -17.1244 -17.0293 -17.0292 -16.0567 -16.0566 -15.6508 -15.6507 -15.5467 -15.5467 -6.8133 -6.8124 -6.0921 -6.0920 -5.8144 -5.8043 -4.7818 -4.7623 -3.5101 -3.5081 -3.3966 -3.3617 -3.1776 -3.1435 -2.7693 -2.7611 -2.6810 -2.6802 -1.1413 -1.1401 -0.8333 -0.8329 -0.0678 -0.0571 0.0579 0.0602 0.4079 0.4122 0.4795 0.4896 1.0139 1.0161 1.1448 1.1450 2.1166 2.1168 2.7942 2.7960 7.9996 8.0030 8.6787 8.7016 9.0843 9.0910 9.5173 9.5312 9.8607 9.8976 k = 0.6241 0.2967 0.1998 ( 18369 PWs) bands (ev): -40.1903 -40.1903 -19.0219 -19.0218 -17.1248 -17.1247 -17.0262 -17.0261 -16.0580 -16.0579 -15.6544 -15.6544 -15.5464 -15.5464 -6.8262 -6.8254 -6.0960 -6.0959 -5.7978 -5.7879 -4.7848 -4.7665 -3.5165 -3.5140 -3.3995 -3.3700 -3.1708 -3.1370 -2.7789 -2.7669 -2.6739 -2.6728 -1.1460 -1.1449 -0.8296 -0.8295 -0.0633 -0.0514 0.0575 0.0600 0.4034 0.4072 0.4823 0.4930 1.0138 1.0154 1.1458 1.1460 2.1151 2.1152 2.8145 2.8162 8.0089 8.0117 8.6960 8.7191 9.1053 9.1123 9.5281 9.5415 9.8830 9.9221 k = 0.6303 0.2996 0.2195 ( 18379 PWs) bands (ev): -40.1903 -40.1903 -19.0209 -19.0208 -17.1252 -17.1251 -17.0231 -17.0231 -16.0590 -16.0590 -15.6581 -15.6580 -15.5460 -15.5460 -6.8384 -6.8376 -6.0997 -6.0997 -5.7822 -5.7726 -4.7877 -4.7708 -3.5228 -3.5201 -3.4020 -3.3781 -3.1641 -3.1305 -2.7883 -2.7722 -2.6667 -2.6655 -1.1503 -1.1492 -0.8267 -0.8261 -0.0585 -0.0455 0.0570 0.0597 0.3992 0.4025 0.4843 0.4952 1.0142 1.0150 1.1468 1.1470 2.1134 2.1135 2.8344 2.8362 8.0149 8.0170 8.7138 8.7368 9.1254 9.1325 9.5386 9.5511 9.8868 9.9193 k = 0.6365 0.3026 0.2392 ( 18369 PWs) bands (ev): -40.1903 -40.1903 -19.0199 -19.0199 -17.1256 -17.1255 -17.0200 -17.0200 -16.0599 -16.0598 -15.6618 -15.6617 -15.5458 -15.5458 -6.8496 -6.8489 -6.1033 -6.1032 -5.7677 -5.7584 -4.7904 -4.7752 -3.5290 -3.5265 -3.4043 -3.3858 -3.1577 -3.1243 -2.7972 -2.7770 -2.6595 -2.6582 -1.1542 -1.1530 -0.8241 -0.8230 -0.0534 -0.0394 0.0566 0.0595 0.3953 0.3982 0.4852 0.4963 1.0149 1.0150 1.1477 1.1479 2.1115 2.1117 2.8538 2.8557 8.0181 8.0196 8.7311 8.7540 9.1443 9.1514 9.5493 9.5607 9.8888 9.9187 k = 0.6427 0.3055 0.2588 ( 18365 PWs) bands (ev): -40.1903 -40.1903 -19.0190 -19.0190 -17.1260 -17.1260 -17.0170 -17.0170 -16.0605 -16.0604 -15.6655 -15.6654 -15.5455 -15.5455 -6.8600 -6.8593 -6.1066 -6.1066 -5.7543 -5.7454 -4.7929 -4.7797 -3.5349 -3.5331 -3.4063 -3.3932 -3.1515 -3.1184 -2.8056 -2.7811 -2.6524 -2.6509 -1.1576 -1.1562 -0.8219 -0.8202 -0.0482 -0.0333 0.0562 0.0593 0.3917 0.3944 0.4853 0.4962 1.0152 1.0162 1.1487 1.1489 2.1096 2.1097 2.8726 2.8745 8.0192 8.0201 8.7473 8.7699 9.1619 9.1689 9.5607 9.5709 9.8928 9.9212 k = 0.6489 0.3085 0.2785 ( 18361 PWs) bands (ev): -40.1903 -40.1903 -19.0182 -19.0182 -17.1265 -17.1265 -17.0141 -17.0141 -16.0608 -16.0607 -15.6692 -15.6691 -15.5452 -15.5452 -6.8694 -6.8688 -6.1097 -6.1096 -5.7420 -5.7337 -4.7951 -4.7843 -3.5406 -3.5399 -3.4081 -3.4003 -3.1456 -3.1129 -2.8134 -2.7845 -2.6455 -2.6438 -1.1606 -1.1589 -0.8200 -0.8178 -0.0427 -0.0271 0.0559 0.0591 0.3886 0.3910 0.4844 0.4951 1.0159 1.0179 1.1496 1.1498 2.1076 2.1076 2.8904 2.8925 8.0189 8.0191 8.7616 8.7839 9.1780 9.1846 9.5728 9.5819 9.8996 9.9267 k = 0.6551 0.3114 0.2982 ( 18364 PWs) bands (ev): -40.1903 -40.1903 -19.0175 -19.0175 -17.1271 -17.1270 -17.0114 -17.0114 -16.0608 -16.0607 -15.6729 -15.6729 -15.5450 -15.5450 -6.8778 -6.8772 -6.1125 -6.1124 -5.7310 -5.7234 -4.7970 -4.7889 -3.5467 -3.5460 -3.4097 -3.4070 -3.1401 -3.1079 -2.8204 -2.7871 -2.6386 -2.6367 -1.1631 -1.1611 -0.8183 -0.8157 -0.0371 -0.0209 0.0556 0.0591 0.3860 0.3882 0.4826 0.4931 1.0168 1.0199 1.1504 1.1506 2.1054 2.1054 2.9072 2.9094 8.0172 8.0175 8.7739 8.7956 9.1924 9.1986 9.5859 9.5940 9.9094 9.9353 k = 0.6613 0.3144 0.3178 ( 18365 PWs) bands (ev): -40.1903 -40.1903 -19.0169 -19.0168 -17.1276 -17.1276 -17.0088 -17.0088 -16.0604 -16.0604 -15.6766 -15.6765 -15.5447 -15.5447 -6.8853 -6.8847 -6.1150 -6.1149 -5.7212 -5.7144 -4.7987 -4.7935 -3.5536 -3.5511 -3.4135 -3.4110 -3.1350 -3.1035 -2.8266 -2.7891 -2.6320 -2.6299 -1.1651 -1.1628 -0.8169 -0.8138 -0.0315 -0.0148 0.0554 0.0591 0.3839 0.3859 0.4801 0.4902 1.0181 1.0222 1.1512 1.1514 2.1031 2.1032 2.9228 2.9250 8.0148 8.0157 8.7837 8.8048 9.2051 9.2108 9.5998 9.6070 9.9217 9.9464 k = 0.6675 0.3173 0.3375 ( 18367 PWs) bands (ev): -40.1903 -40.1903 -19.0164 -19.0163 -17.1281 -17.1281 -17.0064 -17.0064 -16.0597 -16.0597 -15.6803 -15.6802 -15.5446 -15.5445 -6.8917 -6.8912 -6.1171 -6.1171 -5.7127 -5.7068 -4.8001 -4.7981 -3.5605 -3.5559 -3.4197 -3.4120 -3.1302 -3.0999 -2.8318 -2.7903 -2.6255 -2.6233 -1.1667 -1.1640 -0.8157 -0.8123 -0.0258 -0.0088 0.0553 0.0592 0.3824 0.3842 0.4769 0.4865 1.0196 1.0248 1.1520 1.1522 2.1007 2.1008 2.9369 2.9392 8.0123 8.0136 8.7911 8.8115 9.2162 9.2213 9.6144 9.6208 9.9363 9.9596 k = 0.6675 0.3173 0.3375 ( 18367 PWs) bands (ev): -40.1903 -40.1903 -19.0164 -19.0163 -17.1281 -17.1281 -17.0064 -17.0064 -16.0597 -16.0597 -15.6803 -15.6802 -15.5446 -15.5445 -6.8917 -6.8912 -6.1171 -6.1171 -5.7127 -5.7068 -4.8001 -4.7981 -3.5605 -3.5559 -3.4197 -3.4120 -3.1302 -3.0999 -2.8318 -2.7903 -2.6255 -2.6233 -1.1667 -1.1640 -0.8157 -0.8123 -0.0258 -0.0088 0.0553 0.0592 0.3824 0.3842 0.4769 0.4865 1.0196 1.0248 1.1520 1.1522 2.1007 2.1008 2.9369 2.9392 8.0123 8.0136 8.7911 8.8115 9.2162 9.2213 9.6144 9.6208 9.9363 9.9596 k = 0.6547 0.3112 0.3524 ( 18362 PWs) bands (ev): -40.1903 -40.1903 -19.0159 -19.0159 -17.1283 -17.1283 -17.0055 -17.0055 -16.0630 -16.0630 -15.6784 -15.6783 -15.5445 -15.5445 -6.8917 -6.8912 -6.1179 -6.1178 -5.7165 -5.7105 -4.7969 -4.7950 -3.5556 -3.5501 -3.4081 -3.3975 -3.1348 -3.1088 -2.8402 -2.7990 -2.6326 -2.6306 -1.1605 -1.1580 -0.8134 -0.8102 -0.0308 -0.0136 0.0575 0.0613 0.3748 0.3764 0.4805 0.4904 1.0075 1.0125 1.1555 1.1556 2.1040 2.1041 2.9456 2.9480 8.0088 8.0100 8.8110 8.8313 9.2185 9.2233 9.6211 9.6261 9.9609 9.9840 k = 0.6418 0.3051 0.3672 ( 18370 PWs) bands (ev): -40.1903 -40.1903 -19.0155 -19.0154 -17.1285 -17.1285 -17.0046 -17.0046 -16.0661 -16.0660 -15.6767 -15.6766 -15.5444 -15.5444 -6.8915 -6.8910 -6.1185 -6.1185 -5.7202 -5.7144 -4.7939 -4.7921 -3.5507 -3.5444 -3.3967 -3.3834 -3.1395 -3.1180 -2.8478 -2.8075 -2.6393 -2.6376 -1.1547 -1.1525 -0.8114 -0.8085 -0.0353 -0.0180 0.0598 0.0635 0.3676 0.3689 0.4843 0.4944 0.9955 1.0002 1.1589 1.1590 2.1071 2.1072 2.9540 2.9565 8.0060 8.0070 8.8297 8.8496 9.2205 9.2249 9.6243 9.6281 9.9864 10.0093 k = 0.6289 0.2990 0.3821 ( 18381 PWs) bands (ev): -40.1903 -40.1903 -19.0151 -19.0150 -17.1287 -17.1287 -17.0038 -17.0038 -16.0689 -16.0689 -15.6751 -15.6750 -15.5444 -15.5444 -6.8913 -6.8908 -6.1190 -6.1190 -5.7239 -5.7182 -4.7911 -4.7894 -3.5458 -3.5389 -3.3854 -3.3698 -3.1442 -3.1271 -2.8547 -2.8159 -2.6456 -2.6443 -1.1494 -1.1474 -0.8096 -0.8070 -0.0390 -0.0220 0.0621 0.0657 0.3608 0.3618 0.4884 0.4984 0.9838 0.9882 1.1620 1.1621 2.1099 2.1101 2.9621 2.9645 8.0039 8.0048 8.8474 8.8667 9.2222 9.2263 9.6242 9.6268 10.0125 10.0353 k = 0.6160 0.2928 0.3970 ( 18379 PWs) bands (ev): -40.1903 -40.1903 -19.0147 -19.0147 -17.1289 -17.1289 -17.0030 -17.0030 -16.0715 -16.0715 -15.6736 -15.6736 -15.5444 -15.5444 -6.8910 -6.8905 -6.1195 -6.1195 -5.7274 -5.7220 -4.7884 -4.7868 -3.5409 -3.5336 -3.3745 -3.3569 -3.1487 -3.1360 -2.8608 -2.8241 -2.6515 -2.6505 -1.1446 -1.1428 -0.8080 -0.8057 -0.0421 -0.0257 0.0645 0.0679 0.3544 0.3552 0.4927 0.5024 0.9724 0.9765 1.1650 1.1651 2.1125 2.1127 2.9697 2.9721 8.0023 8.0031 8.8642 8.8827 9.2237 9.2274 9.6208 9.6223 10.0392 10.0617 k = 0.6031 0.2867 0.4119 ( 18383 PWs) bands (ev): -40.1903 -40.1903 -19.0144 -19.0144 -17.1291 -17.1290 -17.0023 -17.0023 -16.0739 -16.0738 -15.6723 -15.6723 -15.5443 -15.5443 -6.8906 -6.8902 -6.1200 -6.1199 -5.7307 -5.7256 -4.7860 -4.7845 -3.5360 -3.5288 -3.3640 -3.3449 -3.1530 -3.1445 -2.8662 -2.8320 -2.6570 -2.6562 -1.1403 -1.1388 -0.8067 -0.8046 -0.0446 -0.0290 0.0668 0.0700 0.3485 0.3491 0.4970 0.5063 0.9616 0.9653 1.1677 1.1678 2.1149 2.1151 2.9768 2.9790 8.0012 8.0019 8.8802 8.8975 9.2249 9.2282 9.6146 9.6151 10.0662 10.0883 k = 0.5902 0.2806 0.4268 ( 18382 PWs) bands (ev): -40.1903 -40.1903 -19.0141 -19.0141 -17.1292 -17.1292 -17.0016 -17.0016 -16.0759 -16.0759 -15.6712 -15.6712 -15.5443 -15.5443 -6.8903 -6.8899 -6.1203 -6.1203 -5.7337 -5.7291 -4.7838 -4.7825 -3.5314 -3.5243 -3.3542 -3.3342 -3.1571 -3.1523 -2.8707 -2.8397 -2.6620 -2.6615 -1.1366 -1.1353 -0.8055 -0.8036 -0.0464 -0.0320 0.0690 0.0720 0.3431 0.3436 0.5014 0.5100 0.9515 0.9548 1.1702 1.1702 2.1170 2.1172 2.9833 2.9854 8.0006 8.0012 8.8952 8.9112 9.2260 9.2289 9.6059 9.6062 10.0931 10.1147 k = 0.5773 0.2745 0.4416 ( 18380 PWs) bands (ev): -40.1903 -40.1903 -19.0139 -19.0139 -17.1293 -17.1293 -17.0010 -17.0010 -16.0777 -16.0777 -15.6702 -15.6702 -15.5442 -15.5442 -6.8899 -6.8895 -6.1207 -6.1206 -5.7363 -5.7322 -4.7818 -4.7807 -3.5270 -3.5204 -3.3449 -3.3249 -3.1608 -3.1591 -2.8745 -2.8469 -2.6664 -2.6661 -1.1334 -1.1323 -0.8045 -0.8029 -0.0477 -0.0347 0.0711 0.0738 0.3384 0.3387 0.5057 0.5134 0.9423 0.9452 1.1724 1.1724 2.1189 2.1190 2.9892 2.9910 8.0003 8.0008 8.9092 8.9236 9.2268 9.2294 9.5952 9.5963 10.1196 10.1406 k = 0.5644 0.2683 0.4565 ( 18375 PWs) bands (ev): -40.1903 -40.1903 -19.0137 -19.0137 -17.1295 -17.1294 -17.0005 -17.0005 -16.0793 -16.0792 -15.6694 -15.6694 -15.5442 -15.5442 -6.8896 -6.8893 -6.1209 -6.1209 -5.7386 -5.7351 -4.7801 -4.7792 -3.5229 -3.5170 -3.3365 -3.3173 -3.1649 -3.1642 -2.8774 -2.8537 -2.6703 -2.6701 -1.1307 -1.1298 -0.8036 -0.8022 -0.0485 -0.0372 0.0730 0.0753 0.3343 0.3345 0.5098 0.5165 0.9342 0.9366 1.1742 1.1742 2.1205 2.1206 2.9942 2.9958 8.0002 8.0006 8.9220 8.9346 9.2276 9.2297 9.5842 9.5856 10.1454 10.1653 k = 0.5516 0.2622 0.4714 ( 18371 PWs) bands (ev): -40.1903 -40.1903 -19.0135 -19.0135 -17.1296 -17.1295 -17.0000 -17.0000 -16.0805 -16.0805 -15.6687 -15.6687 -15.5442 -15.5442 -6.8893 -6.8890 -6.1211 -6.1211 -5.7404 -5.7376 -4.7787 -4.7779 -3.5192 -3.5142 -3.3289 -3.3117 -3.1694 -3.1672 -2.8793 -2.8599 -2.6735 -2.6734 -1.1286 -1.1279 -0.8029 -0.8018 -0.0488 -0.0395 0.0746 0.0766 0.3308 0.3310 0.5135 0.5191 0.9272 0.9292 1.1758 1.1758 2.1218 2.1219 2.9985 2.9998 8.0003 8.0006 8.9333 8.9438 9.2282 9.2300 9.5735 9.5751 10.1699 10.1882 k = 0.5387 0.2561 0.4863 ( 18365 PWs) bands (ev): -40.1903 -40.1903 -19.0134 -19.0134 -17.1296 -17.1296 -16.9997 -16.9997 -16.0815 -16.0815 -15.6682 -15.6682 -15.5442 -15.5442 -6.8890 -6.8888 -6.1213 -6.1213 -5.7418 -5.7396 -4.7775 -4.7770 -3.5161 -3.5122 -3.3222 -3.3080 -3.1725 -3.1698 -2.8803 -2.8654 -2.6760 -2.6760 -1.1269 -1.1264 -0.8023 -0.8014 -0.0487 -0.0415 0.0760 0.0775 0.3281 0.3282 0.5168 0.5211 0.9217 0.9232 1.1770 1.1770 2.1228 2.1229 3.0019 3.0029 8.0005 8.0007 8.9430 8.9511 9.2288 9.2301 9.5642 9.5657 10.1923 10.2081 k = 0.5258 0.2499 0.5012 ( 18363 PWs) bands (ev): -40.1903 -40.1903 -19.0133 -19.0133 -17.1297 -17.1297 -16.9994 -16.9994 -16.0822 -16.0822 -15.6678 -15.6678 -15.5442 -15.5442 -6.8888 -6.8887 -6.1214 -6.1214 -5.7427 -5.7412 -4.7767 -4.7763 -3.5136 -3.5109 -3.3165 -3.3064 -3.1743 -3.1719 -2.8803 -2.8703 -2.6778 -2.6778 -1.1257 -1.1254 -0.8018 -0.8013 -0.0482 -0.0433 0.0771 0.0781 0.3262 0.3262 0.5195 0.5223 0.9177 0.9187 1.1779 1.1779 2.1235 2.1236 3.0045 3.0051 8.0006 8.0008 8.9506 8.9562 9.2292 9.2301 9.5570 9.5582 10.2113 10.2234 k = 0.5129 0.2438 0.5161 ( 18362 PWs) bands (ev): -40.1903 -40.1903 -19.0133 -19.0133 -17.1297 -17.1297 -16.9993 -16.9993 -16.0826 -16.0826 -15.6676 -15.6676 -15.5442 -15.5442 -6.8887 -6.8886 -6.1215 -6.1215 -5.7431 -5.7424 -4.7761 -4.7759 -3.5118 -3.5104 -3.3119 -3.3066 -3.1750 -3.1736 -2.8793 -2.8742 -2.6790 -2.6790 -1.1250 -1.1248 -0.8015 -0.8012 -0.0474 -0.0449 0.0779 0.0784 0.3250 0.3250 0.5214 0.5228 0.9153 0.9158 1.1784 1.1784 2.1240 2.1240 3.0060 3.0064 8.0008 8.0008 8.9559 8.9587 9.2296 9.2300 9.5526 9.5532 10.2255 10.2322 k = 0.5000 0.2377 0.5309 ( 18360 PWs) bands (ev): -40.1903 -40.1903 -19.0132 -19.0132 -17.1297 -17.1297 -16.9992 -16.9992 -16.0828 -16.0828 -15.6675 -15.6675 -15.5442 -15.5442 -6.8886 -6.8886 -6.1215 -6.1215 -5.7430 -5.7430 -4.7759 -4.7759 -3.5107 -3.5107 -3.3085 -3.3085 -3.1747 -3.1747 -2.8772 -2.8772 -2.6793 -2.6793 -1.1247 -1.1247 -0.8013 -0.8013 -0.0463 -0.0463 0.0783 0.0783 0.3246 0.3246 0.5225 0.5225 0.9147 0.9147 1.1786 1.1786 2.1242 2.1242 3.0067 3.0067 8.0008 8.0008 8.9587 8.9587 9.2299 9.2299 9.5513 9.5513 10.2329 10.2329 k = 0.5000 0.2377 0.5309 ( 18360 PWs) bands (ev): -40.1903 -40.1903 -19.0132 -19.0132 -17.1297 -17.1297 -16.9992 -16.9992 -16.0828 -16.0828 -15.6675 -15.6675 -15.5442 -15.5442 -6.8886 -6.8886 -6.1215 -6.1215 -5.7430 -5.7430 -4.7759 -4.7759 -3.5107 -3.5107 -3.3085 -3.3085 -3.1747 -3.1747 -2.8772 -2.8772 -2.6793 -2.6793 -1.1247 -1.1247 -0.8013 -0.8013 -0.0463 -0.0463 0.0783 0.0783 0.3246 0.3246 0.5225 0.5225 0.9147 0.9147 1.1786 1.1786 2.1242 2.1242 3.0067 3.0067 8.0008 8.0008 8.9587 8.9587 9.2299 9.2299 9.5513 9.5513 10.2329 10.2329 k = 0.5088 0.2191 0.5309 ( 18358 PWs) bands (ev): -40.1903 -40.1903 -19.0132 -19.0132 -17.1297 -17.1297 -16.9992 -16.9992 -16.0827 -16.0826 -15.6679 -15.6677 -15.5442 -15.5440 -6.8904 -6.8883 -6.1215 -6.1213 -5.7434 -5.7405 -4.7792 -4.7723 -3.5135 -3.5078 -3.3148 -3.3025 -3.1772 -3.1705 -2.8782 -2.8772 -2.6818 -2.6771 -1.1250 -1.1249 -0.8026 -0.8016 -0.0476 -0.0445 0.0781 0.0794 0.3250 0.3252 0.5223 0.5230 0.9142 0.9151 1.1781 1.1784 2.1234 2.1235 3.0063 3.0068 8.0021 8.0031 8.9568 8.9583 9.2289 9.2301 9.5493 9.5510 10.2307 10.2350 k = 0.5176 0.2006 0.5309 ( 18356 PWs) bands (ev): -40.1903 -40.1903 -19.0132 -19.0132 -17.1297 -17.1297 -16.9992 -16.9992 -16.0823 -16.0822 -15.6687 -15.6683 -15.5442 -15.5438 -6.8937 -6.8896 -6.1214 -6.1211 -5.7417 -5.7359 -4.7821 -4.7684 -3.5163 -3.5047 -3.3213 -3.2967 -3.1781 -3.1647 -2.8800 -2.8780 -2.6846 -2.6753 -1.1258 -1.1256 -0.8056 -0.8036 -0.0486 -0.0423 0.0786 0.0813 0.3263 0.3267 0.5223 0.5237 0.9136 0.9155 1.1768 1.1775 2.1212 2.1213 3.0057 3.0067 8.0067 8.0087 8.9528 8.9557 9.2273 9.2296 9.5450 9.5483 10.2285 10.2367 k = 0.5265 0.1820 0.5309 ( 18358 PWs) bands (ev): -40.1903 -40.1903 -19.0131 -19.0131 -17.1297 -17.1297 -16.9992 -16.9992 -16.0816 -16.0815 -15.6700 -15.6693 -15.5442 -15.5436 -6.8985 -6.8924 -6.1211 -6.1208 -5.7379 -5.7293 -4.7846 -4.7642 -3.5190 -3.5017 -3.3280 -3.2913 -3.1775 -3.1574 -2.8826 -2.8797 -2.6875 -2.6738 -1.1272 -1.1268 -0.8102 -0.8073 -0.0491 -0.0397 0.0798 0.0839 0.3286 0.3292 0.5226 0.5246 0.9130 0.9157 1.1749 1.1759 2.1176 2.1178 3.0048 3.0063 8.0148 8.0178 8.9466 8.9509 9.2249 9.2283 9.5384 9.5433 10.2267 10.2379 k = 0.5353 0.1634 0.5309 ( 18348 PWs) bands (ev): -40.1902 -40.1902 -19.0130 -19.0130 -17.1297 -17.1297 -16.9991 -16.9991 -16.0807 -16.0805 -15.6717 -15.6709 -15.5440 -15.5433 -6.9045 -6.8965 -6.1209 -6.1205 -5.7318 -5.7207 -4.7867 -4.7599 -3.5216 -3.4985 -3.3348 -3.2862 -3.1754 -3.1487 -2.8859 -2.8824 -2.6905 -2.6727 -1.1291 -1.1286 -0.8163 -0.8124 -0.0490 -0.0367 0.0818 0.0872 0.3318 0.3326 0.5232 0.5258 0.9123 0.9158 1.1723 1.1736 2.1126 2.1128 3.0036 3.0056 8.0262 8.0302 8.9385 8.9441 9.2216 9.2263 9.5295 9.5358 10.2253 10.2381 k = 0.5441 0.1449 0.5309 ( 18358 PWs) bands (ev): -40.1902 -40.1902 -19.0129 -19.0129 -17.1297 -17.1297 -16.9991 -16.9991 -16.0795 -16.0792 -15.6739 -15.6728 -15.5439 -15.5430 -6.9118 -6.9020 -6.1208 -6.1204 -5.7236 -5.7102 -4.7884 -4.7555 -3.5241 -3.4952 -3.3417 -3.2815 -3.1720 -3.1387 -2.8898 -2.8860 -2.6935 -2.6720 -1.1315 -1.1309 -0.8238 -0.8191 -0.0484 -0.0332 0.0842 0.0909 0.3358 0.3369 0.5241 0.5272 0.9114 0.9159 1.1690 1.1707 2.1064 2.1066 3.0022 3.0047 8.0409 8.0459 8.9284 8.9353 9.2173 9.2232 9.5185 9.5259 10.2236 10.2359 k = 0.5529 0.1263 0.5309 ( 18354 PWs) bands (ev): -40.1902 -40.1902 -19.0127 -19.0127 -17.1297 -17.1297 -16.9990 -16.9990 -16.0780 -16.0777 -15.6764 -15.6752 -15.5437 -15.5426 -6.9201 -6.9087 -6.1209 -6.1204 -5.7133 -5.6978 -4.7897 -4.7511 -3.5265 -3.4918 -3.3487 -3.2772 -3.1672 -3.1275 -2.8944 -2.8904 -2.6965 -2.6715 -1.1344 -1.1337 -0.8326 -0.8270 -0.0473 -0.0291 0.0871 0.0951 0.3405 0.3419 0.5254 0.5289 0.9105 0.9158 1.1652 1.1672 2.0989 2.0992 3.0006 3.0035 8.0588 8.0648 8.9166 8.9247 9.2119 9.2191 9.5055 9.5141 10.2193 10.2284 k = 0.5618 0.1078 0.5309 ( 18348 PWs) bands (ev): -40.1902 -40.1902 -19.0126 -19.0125 -17.1297 -17.1296 -16.9990 -16.9989 -16.0762 -16.0759 -15.6794 -15.6780 -15.5434 -15.5422 -6.9293 -6.9164 -6.1215 -6.1205 -5.7008 -5.6836 -4.7906 -4.7467 -3.5289 -3.4883 -3.3557 -3.2733 -3.1612 -3.1154 -2.8995 -2.8956 -2.6993 -2.6712 -1.1378 -1.1370 -0.8426 -0.8362 -0.0455 -0.0245 0.0904 0.0994 0.3456 0.3477 0.5271 0.5308 0.9096 0.9156 1.1609 1.1631 2.0904 2.0906 2.9987 3.0020 8.0799 8.0868 8.9032 8.9124 9.2049 9.2136 9.4912 9.5007 10.2075 10.2151 k = 0.5706 0.0892 0.5309 ( 18350 PWs) bands (ev): -40.1902 -40.1902 -19.0124 -19.0123 -17.1296 -17.1296 -16.9989 -16.9988 -16.0742 -16.0738 -15.6827 -15.6813 -15.5431 -15.5418 -6.9392 -6.9249 -6.1225 -6.1210 -5.6863 -5.6677 -4.7912 -4.7425 -3.5311 -3.4847 -3.3628 -3.2699 -3.1542 -3.1026 -2.9051 -2.9014 -2.7019 -2.6711 -1.1417 -1.1408 -0.8535 -0.8464 -0.0430 -0.0193 0.0938 0.1039 0.3512 0.3541 0.5293 0.5331 0.9085 0.9153 1.1561 1.1586 2.0809 2.0811 2.9967 3.0004 8.1039 8.1117 8.8882 8.8986 9.1963 9.2067 9.4761 9.4863 10.1858 10.1983 k = 0.5794 0.0706 0.5309 ( 18348 PWs) bands (ev): -40.1902 -40.1902 -19.0122 -19.0121 -17.1296 -17.1296 -16.9988 -16.9987 -16.0719 -16.0715 -15.6864 -15.6848 -15.5428 -15.5414 -6.9497 -6.9342 -6.1240 -6.1218 -5.6699 -5.6503 -4.7914 -4.7385 -3.5333 -3.4810 -3.3698 -3.2671 -3.1461 -3.0892 -2.9112 -2.9077 -2.7042 -2.6710 -1.1461 -1.1450 -0.8652 -0.8575 -0.0400 -0.0136 0.0972 0.1083 0.3571 0.3610 0.5320 0.5357 0.9073 0.9147 1.1510 1.1537 2.0706 2.0707 2.9944 2.9985 8.1308 8.1395 8.8717 8.8833 9.1856 9.1980 9.4610 9.4718 10.1592 10.1775 k = 0.5882 0.0521 0.5309 ( 18338 PWs) bands (ev): -40.1902 -40.1902 -19.0120 -19.0119 -17.1296 -17.1296 -16.9987 -16.9986 -16.0694 -16.0689 -15.6905 -15.6887 -15.5425 -15.5411 -6.9605 -6.9440 -6.1259 -6.1229 -5.6519 -5.6314 -4.7914 -4.7348 -3.5354 -3.4774 -3.3769 -3.2651 -3.1372 -3.0756 -2.9176 -2.9142 -2.7061 -2.6709 -1.1509 -1.1497 -0.8776 -0.8693 -0.0362 -0.0073 0.1007 0.1124 0.3631 0.3683 0.5352 0.5388 0.9060 0.9140 1.1456 1.1485 2.0595 2.0597 2.9919 2.9964 8.1603 8.1700 8.8540 8.8668 9.1729 9.1875 9.4467 9.4578 10.1313 10.1540 k = 0.5971 0.0335 0.5309 ( 18344 PWs) bands (ev): -40.1902 -40.1902 -19.0117 -19.0117 -17.1296 -17.1295 -16.9986 -16.9985 -16.0666 -16.0661 -15.6948 -15.6930 -15.5422 -15.5407 -6.9716 -6.9542 -6.1283 -6.1245 -5.6323 -5.6113 -4.7911 -4.7314 -3.5374 -3.4739 -3.3838 -3.2639 -3.1275 -3.0619 -2.9244 -2.9208 -2.7076 -2.6705 -1.1560 -1.1547 -0.8904 -0.8818 -0.0319 -0.0004 0.1040 0.1163 0.3692 0.3758 0.5390 0.5422 0.9046 0.9131 1.1400 1.1431 2.0479 2.0481 2.9893 2.9941 8.1924 8.2029 8.8349 8.8489 9.1582 9.1751 9.4336 9.4449 10.1037 10.1297 k = 0.6059 0.0149 0.5309 ( 18344 PWs) bands (ev): -40.1902 -40.1902 -19.0115 -19.0114 -17.1296 -17.1295 -16.9984 -16.9984 -16.0635 -16.0630 -15.6993 -15.6975 -15.5419 -15.5403 -6.9828 -6.9646 -6.1311 -6.1264 -5.6114 -5.5902 -4.7906 -4.7285 -3.5393 -3.4706 -3.3906 -3.2638 -3.1172 -3.0483 -2.9316 -2.9273 -2.7085 -2.6698 -1.1615 -1.1599 -0.9035 -0.8947 -0.0270 0.0070 0.1071 0.1197 0.3753 0.3835 0.5432 0.5461 0.9030 0.9119 1.1344 1.1376 2.0358 2.0361 2.9865 2.9916 8.2268 8.2381 8.8146 8.8298 9.1416 9.1610 9.4220 9.4335 10.0774 10.1059 k = 0.6147-0.0036 0.5309 ( 18348 PWs) bands (ev): -40.1902 -40.1902 -19.0113 -19.0112 -17.1295 -17.1295 -16.9983 -16.9983 -16.0602 -16.0596 -15.7042 -15.7023 -15.5416 -15.5400 -6.9939 -6.9751 -6.1343 -6.1286 -5.5895 -5.5682 -4.7900 -4.7260 -3.5411 -3.4677 -3.3970 -3.2649 -3.1063 -3.0351 -2.9390 -2.9334 -2.7087 -2.6685 -1.1672 -1.1654 -0.9168 -0.9079 -0.0216 0.0148 0.1100 0.1226 0.3813 0.3911 0.5479 0.5505 0.9014 0.9105 1.1289 1.1321 2.0235 2.0238 2.9836 2.9889 8.2632 8.2753 8.7933 8.8097 9.1237 9.1455 9.4120 9.4236 10.0531 10.0835 k = 0.6235-0.0222 0.5309 ( 18356 PWs) bands (ev): -40.1902 -40.1902 -19.0110 -19.0110 -17.1295 -17.1295 -16.9982 -16.9982 -16.0567 -16.0560 -15.7092 -15.7073 -15.5413 -15.5397 -7.0049 -6.9856 -6.1377 -6.1312 -5.5668 -5.5457 -4.7892 -4.7240 -3.5429 -3.4657 -3.4028 -3.2673 -3.0951 -3.0225 -2.9465 -2.9391 -2.7083 -2.6667 -1.1731 -1.1710 -0.9301 -0.9213 -0.0157 0.0230 0.1126 0.1249 0.3871 0.3985 0.5530 0.5554 0.8996 0.9088 1.1235 1.1268 2.0110 2.0115 2.9806 2.9861 8.3014 8.3144 8.7710 8.7885 9.1049 9.1289 9.4034 9.4151 10.0312 10.0631 k = 0.6324-0.0407 0.5309 ( 18352 PWs) bands (ev): -40.1902 -40.1902 -19.0108 -19.0107 -17.1295 -17.1295 -16.9981 -16.9980 -16.0529 -16.0522 -15.7145 -15.7125 -15.5410 -15.5394 -7.0155 -6.9959 -6.1414 -6.1339 -5.5435 -5.5229 -4.7884 -4.7226 -3.5446 -3.4650 -3.4074 -3.2710 -3.0836 -3.0107 -2.9541 -2.9442 -2.7070 -2.6641 -1.1790 -1.1766 -0.9434 -0.9348 -0.0096 0.0315 0.1149 0.1267 0.3927 0.4057 0.5583 0.5607 0.8977 0.9069 1.1184 1.1217 1.9986 1.9993 2.9774 2.9832 8.3412 8.3548 8.7479 8.7664 9.0858 9.1118 9.3961 9.4079 10.0123 10.0454 k = 0.6412-0.0593 0.5309 ( 18344 PWs) bands (ev): -40.1902 -40.1902 -19.0106 -19.0105 -17.1295 -17.1295 -16.9979 -16.9979 -16.0489 -16.0482 -15.7199 -15.7179 -15.5407 -15.5392 -7.0258 -7.0059 -6.1452 -6.1369 -5.5200 -5.5000 -4.7875 -4.7218 -3.5463 -3.4660 -3.4106 -3.2762 -3.0720 -3.0001 -2.9616 -2.9484 -2.7049 -2.6606 -1.1849 -1.1820 -0.9565 -0.9483 -0.0031 0.0401 0.1169 0.1279 0.3981 0.4125 0.5638 0.5664 0.8957 0.9046 1.1136 1.1170 1.9865 1.9872 2.9743 2.9801 8.3821 8.3964 8.7244 8.7438 9.0668 9.0944 9.3897 9.4015 9.9965 10.0307 k = 0.6500-0.0779 0.5309 ( 18346 PWs) bands (ev): -40.1902 -40.1902 -19.0104 -19.0103 -17.1295 -17.1295 -16.9978 -16.9978 -16.0447 -16.0439 -15.7254 -15.7234 -15.5405 -15.5389 -7.0356 -7.0155 -6.1491 -6.1400 -5.4965 -5.4772 -4.7866 -4.7216 -3.5479 -3.4691 -3.4121 -3.2827 -3.0605 -2.9916 -2.9686 -2.9512 -2.7018 -2.6561 -1.1906 -1.1872 -0.9694 -0.9618 0.0035 0.0487 0.1187 0.1285 0.4033 0.4188 0.5694 0.5723 0.8936 0.9022 1.1094 1.1128 1.9746 1.9755 2.9710 2.9770 8.4237 8.4385 8.7007 8.7208 9.0485 9.0773 9.3839 9.3958 9.9843 10.0192 k = 0.6588-0.0964 0.5309 ( 18348 PWs) bands (ev): -40.1902 -40.1902 -19.0102 -19.0101 -17.1295 -17.1295 -16.9977 -16.9976 -16.0403 -16.0395 -15.7311 -15.7291 -15.5403 -15.5388 -7.0449 -7.0247 -6.1530 -6.1432 -5.4733 -5.4548 -4.7858 -4.7220 -3.5495 -3.4742 -3.4119 -3.2905 -3.0494 -2.9868 -2.9744 -2.9515 -2.6980 -2.6506 -1.1961 -1.1921 -0.9819 -0.9750 0.0102 0.0570 0.1204 0.1289 0.4084 0.4247 0.5750 0.5782 0.8915 0.8995 1.1058 1.1092 1.9633 1.9643 2.9678 2.9738 8.4654 8.4806 8.6775 8.6983 9.0309 9.0605 9.3785 9.3905 9.9758 10.0112 k = 0.6677-0.1150 0.5309 ( 18340 PWs) bands (ev): -40.1902 -40.1902 -19.0100 -19.0100 -17.1295 -17.1295 -16.9975 -16.9975 -16.0357 -16.0349 -15.7368 -15.7348 -15.5401 -15.5386 -7.0535 -7.0333 -6.1568 -6.1464 -5.4507 -5.4331 -4.7850 -4.7229 -3.5510 -3.4808 -3.4106 -3.2994 -3.0390 -2.9877 -2.9781 -2.9479 -2.6934 -2.6441 -1.2013 -1.1965 -0.9940 -0.9880 0.0167 0.0648 0.1219 0.1290 0.4133 0.4300 0.5804 0.5839 0.8894 0.8968 1.1028 1.1063 1.9525 1.9537 2.9645 2.9707 8.5061 8.5211 8.6560 8.6773 9.0142 9.0443 9.3735 9.3856 9.9710 10.0068 k = 0.6765-0.1336 0.5309 ( 18346 PWs) bands (ev): -40.1902 -40.1902 -19.0099 -19.0098 -17.1296 -17.1295 -16.9974 -16.9974 -16.0309 -16.0301 -15.7426 -15.7406 -15.5400 -15.5385 -7.0614 -7.0414 -6.1605 -6.1496 -5.4288 -5.4123 -4.7842 -4.7245 -3.5526 -3.4886 -3.4086 -3.3093 -3.0300 -2.9916 -2.9808 -2.9413 -2.6881 -2.6366 -1.2059 -1.2003 -1.0057 -1.0008 0.0230 0.0716 0.1235 0.1295 0.4182 0.4348 0.5855 0.5894 0.8874 0.8941 1.1006 1.1041 1.9425 1.9437 2.9613 2.9675 8.5427 8.5560 8.6398 8.6612 8.9984 9.0285 9.3689 9.3811 9.9700 10.0058 k = 0.6853-0.1521 0.5309 ( 18360 PWs) bands (ev): -40.1902 -40.1902 -19.0098 -19.0097 -17.1296 -17.1296 -16.9972 -16.9972 -16.0260 -16.0252 -15.7484 -15.7465 -15.5398 -15.5384 -7.0686 -7.0487 -6.1641 -6.1526 -5.4081 -5.3927 -4.7836 -4.7266 -3.5542 -3.4971 -3.4061 -3.3199 -3.0238 -2.9956 -2.9827 -2.9331 -2.6822 -2.6282 -1.2100 -1.2035 -1.0170 -1.0131 0.0290 0.0769 0.1250 0.1310 0.4229 0.4390 0.5899 0.5943 0.8855 0.8916 1.0990 1.1027 1.9333 1.9345 2.9581 2.9643 8.5651 8.5737 8.6403 8.6601 8.9834 9.0134 9.3647 9.3770 9.9725 10.0080 k = 0.6941-0.1707 0.5309 ( 18352 PWs) bands (ev): -40.1902 -40.1902 -19.0097 -19.0097 -17.1296 -17.1296 -16.9971 -16.9971 -16.0210 -16.0202 -15.7541 -15.7523 -15.5397 -15.5384 -7.0750 -7.0553 -6.1674 -6.1556 -5.3887 -5.3744 -4.7831 -4.7293 -3.5557 -3.5062 -3.4036 -3.3311 -3.0216 -2.9995 -2.9816 -2.9243 -2.6759 -2.6190 -1.2135 -1.2061 -1.0278 -1.0248 0.0344 0.0802 0.1263 0.1340 0.4275 0.4428 0.5936 0.5986 0.8839 0.8896 1.0982 1.1021 1.9249 1.9262 2.9550 2.9611 8.5602 8.5710 8.6641 8.6832 8.9691 8.9986 9.3612 9.3737 9.9781 10.0127 k = 0.7030-0.1892 0.5309 ( 18354 PWs) bands (ev): -40.1902 -40.1902 -19.0097 -19.0096 -17.1297 -17.1297 -16.9970 -16.9969 -16.0159 -16.0151 -15.7599 -15.7581 -15.5397 -15.5384 -7.0805 -7.0612 -6.1704 -6.1583 -5.3708 -5.3577 -4.7827 -4.7326 -3.5574 -3.5157 -3.4011 -3.3428 -3.0229 -3.0043 -2.9764 -2.9152 -2.6692 -2.6092 -1.2163 -1.2081 -1.0383 -1.0357 0.0392 0.0815 0.1277 0.1387 0.4321 0.4461 0.5963 0.6020 0.8826 0.8883 1.0982 1.1022 1.9175 1.9188 2.9519 2.9581 8.5439 8.5570 8.6986 8.7180 8.9553 8.9843 9.3585 9.3714 9.9858 10.0184 k = 0.7118-0.2078 0.5309 ( 18356 PWs) bands (ev): -40.1902 -40.1902 -19.0097 -19.0096 -17.1297 -17.1297 -16.9968 -16.9968 -16.0108 -16.0099 -15.7655 -15.7638 -15.5396 -15.5384 -7.0852 -7.0663 -6.1731 -6.1608 -5.3547 -5.3427 -4.7825 -4.7363 -3.5590 -3.5253 -3.3987 -3.3547 -3.0261 -3.0095 -2.9691 -2.9061 -2.6622 -2.5990 -1.2184 -1.2095 -1.0486 -1.0454 0.0433 0.0807 0.1295 0.1446 0.4367 0.4489 0.5979 0.6044 0.8817 0.8877 1.0989 1.1031 1.9110 1.9123 2.9490 2.9551 8.5257 8.5395 8.7354 8.7548 8.9419 8.9704 9.3570 9.3703 9.9927 10.0217 k = 0.7206-0.2264 0.5309 ( 18356 PWs) bands (ev): -40.1902 -40.1902 -19.0097 -19.0097 -17.1298 -17.1298 -16.9967 -16.9967 -16.0056 -16.0047 -15.7710 -15.7693 -15.5396 -15.5384 -7.0890 -7.0705 -6.1755 -6.1631 -5.3406 -5.3298 -4.7824 -4.7405 -3.5608 -3.5351 -3.3966 -3.3669 -3.0302 -3.0143 -2.9609 -2.8971 -2.6551 -2.5886 -1.2198 -1.2103 -1.0587 -1.0537 0.0466 0.0785 0.1317 0.1513 0.4412 0.4514 0.5984 0.6056 0.8816 0.8882 1.1002 1.1046 1.9056 1.9069 2.9462 2.9522 8.5077 8.5216 8.7715 8.7905 8.9288 8.9571 9.3569 9.3707 9.9900 10.0150 k = 0.7294-0.2449 0.5309 ( 18348 PWs) bands (ev): -40.1902 -40.1902 -19.0098 -19.0097 -17.1299 -17.1298 -16.9966 -16.9966 -16.0004 -15.9995 -15.7764 -15.7748 -15.5395 -15.5385 -7.0920 -7.0739 -6.1776 -6.1651 -5.3287 -5.3189 -4.7825 -4.7452 -3.5627 -3.5449 -3.3946 -3.3792 -3.0349 -3.0180 -2.9525 -2.8882 -2.6478 -2.5781 -1.2205 -1.2108 -1.0680 -1.0609 0.0492 0.0752 0.1344 0.1584 0.4457 0.4534 0.5977 0.6055 0.8823 0.8895 1.1021 1.1067 1.9012 1.9024 2.9436 2.9495 8.4908 8.5044 8.8055 8.8228 8.9164 8.9452 9.3584 9.3727 9.9690 9.9892 k = 0.7383-0.2635 0.5309 ( 18356 PWs) bands (ev): -40.1902 -40.1902 -19.0099 -19.0099 -17.1299 -17.1299 -16.9964 -16.9964 -15.9952 -15.9944 -15.7815 -15.7800 -15.5396 -15.5385 -7.0940 -7.0764 -6.1792 -6.1668 -5.3190 -5.3103 -4.7828 -4.7502 -3.5647 -3.5546 -3.3932 -3.3915 -3.0400 -3.0205 -2.9442 -2.8796 -2.6405 -2.5677 -1.2206 -1.2111 -1.0765 -1.0667 0.0510 0.0712 0.1375 0.1656 0.4502 0.4551 0.5957 0.6040 0.8841 0.8919 1.1045 1.1094 1.8979 1.8989 2.9411 2.9469 8.4751 8.4883 8.8362 8.8484 8.9057 8.9368 9.3617 9.3764 9.9368 9.9534 k = 0.2617-0.5506 0.7244 ( 18356 PWs) bands (ev): -40.1902 -40.1902 -19.0099 -19.0099 -17.1299 -17.1299 -16.9964 -16.9964 -15.9952 -15.9944 -15.7815 -15.7800 -15.5396 -15.5385 -7.0940 -7.0764 -6.1792 -6.1668 -5.3190 -5.3103 -4.7828 -4.7502 -3.5647 -3.5546 -3.3932 -3.3915 -3.0400 -3.0205 -2.9442 -2.8796 -2.6405 -2.5677 -1.2206 -1.2111 -1.0765 -1.0667 0.0510 0.0712 0.1375 0.1656 0.4502 0.4551 0.5957 0.6040 0.8841 0.8919 1.1045 1.1094 1.8979 1.8989 2.9411 2.9469 8.4751 8.4883 8.8362 8.8484 8.9057 8.9368 9.3617 9.3764 9.9368 9.9534 k = 0.2530-0.5322 0.7244 ( 18356 PWs) bands (ev): -40.1902 -40.1902 -19.0101 -19.0100 -17.1300 -17.1300 -16.9963 -16.9963 -15.9901 -15.9894 -15.7864 -15.7850 -15.5396 -15.5386 -7.0950 -7.0781 -6.1804 -6.1682 -5.3118 -5.3040 -4.7833 -4.7555 -3.5668 -3.5641 -3.4042 -3.3915 -3.0450 -3.0218 -2.9363 -2.8712 -2.6333 -2.5576 -1.2204 -1.2114 -1.0837 -1.0709 0.0521 0.0668 0.1408 0.1725 0.4545 0.4566 0.5927 0.6013 0.8869 0.8953 1.1074 1.1124 1.8956 1.8965 2.9389 2.9445 8.4608 8.4735 8.8594 8.8606 8.9010 8.9373 9.3666 9.3818 9.9014 9.9158 k = 0.2443-0.5139 0.7244 ( 18346 PWs) bands (ev): -40.1902 -40.1902 -19.0103 -19.0102 -17.1301 -17.1301 -16.9962 -16.9962 -15.9852 -15.9845 -15.7910 -15.7896 -15.5396 -15.5387 -7.0952 -7.0789 -6.1813 -6.1692 -5.3070 -5.3001 -4.7840 -4.7611 -3.5734 -3.5690 -3.4168 -3.3905 -3.0496 -3.0221 -2.9287 -2.8630 -2.6261 -2.5478 -1.2200 -1.2120 -1.0895 -1.0734 0.0527 0.0621 0.1443 0.1791 0.4576 0.4589 0.5887 0.5973 0.8909 0.8996 1.1107 1.1159 1.8942 1.8950 2.9368 2.9423 8.4478 8.4599 8.8568 8.8669 8.9100 8.9500 9.3733 9.3887 9.8654 9.8784 k = 0.2356-0.4955 0.7244 ( 18344 PWs) bands (ev): -40.1902 -40.1902 -19.0105 -19.0105 -17.1302 -17.1302 -16.9961 -16.9960 -15.9805 -15.9798 -15.7952 -15.7940 -15.5397 -15.5389 -7.0946 -7.0789 -6.1817 -6.1699 -5.3046 -5.2985 -4.7851 -4.7668 -3.5825 -3.5714 -3.4296 -3.3899 -3.0535 -3.0214 -2.9212 -2.8550 -2.6190 -2.5384 -1.2197 -1.2131 -1.0936 -1.0741 0.0528 0.0572 0.1478 0.1852 0.4586 0.4630 0.5837 0.5921 0.8960 0.9049 1.1142 1.1196 1.8938 1.8944 2.9350 2.9403 8.4358 8.4474 8.8462 8.8599 8.9285 8.9686 9.3813 9.3969 9.8302 9.8426 k = 0.2268-0.4772 0.7244 ( 18352 PWs) bands (ev): -40.1902 -40.1902 -19.0108 -19.0107 -17.1303 -17.1303 -16.9959 -16.9959 -15.9759 -15.9753 -15.7991 -15.7980 -15.5398 -15.5390 -7.0930 -7.0780 -6.1817 -6.1703 -5.3046 -5.2991 -4.7867 -4.7725 -3.5914 -3.5739 -3.4427 -3.3897 -3.0565 -3.0201 -2.9139 -2.8471 -2.6120 -2.5294 -1.2197 -1.2148 -1.0957 -1.0727 0.0523 0.0527 0.1512 0.1908 0.4593 0.4670 0.5780 0.5860 0.9020 0.9111 1.1180 1.1235 1.8943 1.8947 2.9333 2.9385 8.4247 8.4357 8.8336 8.8485 8.9472 8.9874 9.3906 9.4062 9.7966 9.8095 k = 0.2181-0.4588 0.7244 ( 18358 PWs) bands (ev): -40.1902 -40.1902 -19.0111 -19.0111 -17.1304 -17.1304 -16.9958 -16.9958 -15.9716 -15.9710 -15.8026 -15.8016 -15.5398 -15.5392 -7.0906 -7.0763 -6.1814 -6.1703 -5.3070 -5.3021 -4.7892 -4.7776 -3.6000 -3.5765 -3.4560 -3.3901 -3.0585 -3.0183 -2.9067 -2.8394 -2.6051 -2.5208 -1.2205 -1.2171 -1.0956 -1.0693 0.0475 0.0522 0.1545 0.1958 0.4598 0.4709 0.5717 0.5791 0.9091 0.9180 1.1220 1.1276 1.8957 1.8959 2.9319 2.9369 8.4142 8.4245 8.8209 8.8363 8.9633 9.0042 9.4008 9.4163 9.7653 9.7798 k = 0.2094-0.4405 0.7244 ( 18372 PWs) bands (ev): -40.1902 -40.1902 -19.0115 -19.0114 -17.1306 -17.1305 -16.9957 -16.9957 -15.9677 -15.9671 -15.8056 -15.8047 -15.5400 -15.5394 -7.0874 -7.0738 -6.1806 -6.1699 -5.3116 -5.3072 -4.7931 -4.7818 -3.6082 -3.5793 -3.4695 -3.3912 -3.0596 -3.0160 -2.8995 -2.8318 -2.5984 -2.5127 -1.2221 -1.2202 -1.0931 -1.0639 0.0428 0.0515 0.1576 0.2000 0.4602 0.4745 0.5650 0.5715 0.9169 0.9257 1.1260 1.1318 1.8979 1.8979 2.9306 2.9355 8.4038 8.4135 8.8089 8.8246 8.9762 9.0180 9.4114 9.4267 9.7374 9.7542 k = 0.2007-0.4221 0.7244 ( 18374 PWs) bands (ev): -40.1902 -40.1902 -19.0118 -19.0118 -17.1307 -17.1307 -16.9956 -16.9956 -15.9640 -15.9636 -15.8081 -15.8074 -15.5401 -15.5395 -7.0835 -7.0706 -6.1795 -6.1692 -5.3183 -5.3143 -4.7984 -4.7849 -3.6161 -3.5822 -3.4832 -3.3930 -3.0596 -3.0135 -2.8920 -2.8241 -2.5918 -2.5051 -1.2248 -1.2237 -1.0882 -1.0566 0.0383 0.0507 0.1604 0.2035 0.4605 0.4777 0.5580 0.5635 0.9255 0.9340 1.1301 1.1360 1.9006 1.9008 2.9296 2.9343 8.3931 8.4020 8.7985 8.8142 8.9854 9.0281 9.4223 9.4371 9.7135 9.7334 k = 0.1919-0.4038 0.7244 ( 18380 PWs) bands (ev): -40.1902 -40.1902 -19.0122 -19.0122 -17.1308 -17.1308 -16.9955 -16.9955 -15.9608 -15.9604 -15.8101 -15.8095 -15.5402 -15.5397 -7.0788 -7.0666 -6.1780 -6.1682 -5.3271 -5.3234 -4.8045 -4.7875 -3.6236 -3.5853 -3.4971 -3.3957 -3.0588 -3.0109 -2.8843 -2.8164 -2.5854 -2.4980 -1.2285 -1.2275 -1.0810 -1.0477 0.0339 0.0497 0.1629 0.2063 0.4606 0.4805 0.5508 0.5554 0.9347 0.9429 1.1342 1.1402 1.9040 1.9044 2.9288 2.9334 8.3816 8.3897 8.7901 8.8058 8.9909 9.0342 9.4329 9.4471 9.6947 9.7178 k = 0.1832-0.3854 0.7244 ( 18394 PWs) bands (ev): -40.1903 -40.1903 -19.0127 -19.0126 -17.1309 -17.1309 -16.9954 -16.9954 -15.9580 -15.9577 -15.8116 -15.8112 -15.5403 -15.5399 -7.0734 -7.0620 -6.1761 -6.1669 -5.3376 -5.3342 -4.8111 -4.7900 -3.6307 -3.5884 -3.5111 -3.3994 -3.0573 -3.0085 -2.8761 -2.8086 -2.5791 -2.4913 -1.2330 -1.2316 -1.0718 -1.0374 0.0297 0.0487 0.1651 0.2084 0.4607 0.4826 0.5438 0.5473 0.9444 0.9522 1.1383 1.1443 1.9080 1.9086 2.9282 2.9326 8.3689 8.3761 8.7842 8.8000 8.9926 9.0361 9.4431 9.4561 9.6817 9.7078 k = 0.1745-0.3670 0.7244 ( 18386 PWs) bands (ev): -40.1903 -40.1903 -19.0131 -19.0131 -17.1311 -17.1310 -16.9953 -16.9952 -15.9557 -15.9555 -15.8125 -15.8122 -15.5405 -15.5402 -7.0673 -7.0567 -6.1739 -6.1653 -5.3497 -5.3465 -4.8178 -4.7927 -3.6374 -3.5917 -3.5251 -3.4040 -3.0552 -3.0062 -2.8675 -2.8006 -2.5729 -2.4850 -1.2378 -1.2362 -1.0607 -1.0259 0.0257 0.0475 0.1669 0.2096 0.4605 0.4838 0.5365 0.5401 0.9545 0.9620 1.1423 1.1484 1.9127 1.9134 2.9278 2.9320 8.3546 8.3609 8.7812 8.7970 8.9909 9.0340 9.4525 9.4639 9.6749 9.7035 k = 0.1658-0.3487 0.7244 ( 18374 PWs) bands (ev): -40.1902 -40.1902 -19.0136 -19.0136 -17.1312 -17.1312 -16.9952 -16.9951 -15.9538 -15.9537 -15.8129 -15.8127 -15.5407 -15.5404 -7.0607 -7.0509 -6.1715 -6.1634 -5.3632 -5.3602 -4.8245 -4.7955 -3.6437 -3.5950 -3.5389 -3.4098 -3.0527 -3.0043 -2.8582 -2.7923 -2.5668 -2.4792 -1.2427 -1.2410 -1.0482 -1.0133 0.0220 0.0463 0.1685 0.2102 0.4601 0.4837 0.5289 0.5344 0.9648 0.9719 1.1462 1.1523 1.9178 1.9187 2.9276 2.9317 8.3386 8.3438 8.7809 8.7969 8.9864 9.0283 9.4610 9.4703 9.6744 9.7050 k = 0.1570-0.3303 0.7244 ( 18368 PWs) bands (ev): -40.1902 -40.1902 -19.0141 -19.0141 -17.1314 -17.1313 -16.9951 -16.9950 -15.9524 -15.9523 -15.8128 -15.8127 -15.5408 -15.5406 -7.0536 -7.0445 -6.1688 -6.1612 -5.3778 -5.3750 -4.8312 -4.7987 -3.6495 -3.5984 -3.5525 -3.4166 -3.0500 -3.0028 -2.8484 -2.7838 -2.5607 -2.4738 -1.2477 -1.2460 -1.0344 -0.9999 0.0185 0.0450 0.1697 0.2100 0.4595 0.4822 0.5215 0.5302 0.9753 0.9821 1.1499 1.1561 1.9234 1.9244 2.9275 2.9315 8.3207 8.3250 8.7828 8.7994 8.9802 9.0200 9.4685 9.4754 9.6797 9.7117 k = 0.1483-0.3120 0.7244 ( 18374 PWs) bands (ev): -40.1902 -40.1902 -19.0146 -19.0146 -17.1315 -17.1315 -16.9950 -16.9950 -15.9514 -15.9513 -15.8122 -15.8121 -15.5410 -15.5408 -7.0460 -7.0377 -6.1658 -6.1589 -5.3934 -5.3907 -4.8378 -4.8022 -3.6549 -3.6019 -3.5658 -3.4245 -3.0473 -3.0018 -2.8380 -2.7750 -2.5548 -2.4688 -1.2527 -1.2511 -1.0196 -0.9858 0.0152 0.0436 0.1706 0.2092 0.4583 0.4792 0.5145 0.5275 0.9859 0.9924 1.1536 1.1597 1.9293 1.9305 2.9276 2.9314 8.3012 8.3046 8.7859 8.8036 8.9737 9.0103 9.4750 9.4795 9.6899 9.7232 k = 0.1396-0.2936 0.7244 ( 18382 PWs) bands (ev): -40.1903 -40.1903 -19.0151 -19.0151 -17.1316 -17.1316 -16.9949 -16.9949 -15.9509 -15.9507 -15.8113 -15.8111 -15.5412 -15.5411 -7.0381 -7.0305 -6.1627 -6.1564 -5.4096 -5.4071 -4.8441 -4.8060 -3.6598 -3.6054 -3.5785 -3.4334 -3.0446 -3.0012 -2.8272 -2.7661 -2.5488 -2.4642 -1.2576 -1.2562 -1.0040 -0.9713 0.0122 0.0421 0.1711 0.2078 0.4566 0.4750 0.5084 0.5260 0.9965 1.0026 1.1570 1.1631 1.9355 1.9368 2.9279 2.9316 8.2803 8.2828 8.7885 8.8081 8.9690 9.0014 9.4807 9.4829 9.7040 9.7384 k = 0.1309-0.2753 0.7244 ( 18386 PWs) bands (ev): -40.1903 -40.1903 -19.0156 -19.0156 -17.1318 -17.1317 -16.9948 -16.9948 -15.9506 -15.9505 -15.8100 -15.8097 -15.5414 -15.5413 -7.0299 -7.0231 -6.1594 -6.1537 -5.4264 -5.4239 -4.8502 -4.8101 -3.6642 -3.6091 -3.5906 -3.4433 -3.0420 -3.0010 -2.8160 -2.7570 -2.5429 -2.4600 -1.2623 -1.2611 -0.9879 -0.9565 0.0095 0.0406 0.1714 0.2058 0.4542 0.4698 0.5034 0.5252 1.0069 1.0127 1.1603 1.1663 1.9420 1.9433 2.9283 2.9318 8.2583 8.2601 8.7886 8.8107 8.9686 8.9958 9.4854 9.4863 9.7209 9.7563 k = 0.1221-0.2569 0.7244 ( 18374 PWs) bands (ev): -40.1903 -40.1903 -19.0161 -19.0161 -17.1319 -17.1319 -16.9947 -16.9947 -15.9507 -15.9505 -15.8084 -15.8081 -15.5416 -15.5415 -7.0215 -7.0154 -6.1560 -6.1509 -5.4433 -5.4410 -4.8560 -4.8146 -3.6682 -3.6130 -3.6017 -3.4539 -3.0397 -3.0013 -2.8046 -2.7479 -2.5369 -2.4562 -1.2670 -1.2659 -0.9715 -0.9416 0.0071 0.0390 0.1714 0.2033 0.4511 0.4641 0.4995 0.5249 1.0172 1.0227 1.1634 1.1693 1.9486 1.9500 2.9288 2.9322 8.2356 8.2369 8.7845 8.8091 8.9744 8.9964 9.4886 9.4904 9.7393 9.7759 k = 0.1134-0.2386 0.7244 ( 18364 PWs) bands (ev): -40.1902 -40.1902 -19.0166 -19.0166 -17.1320 -17.1320 -16.9947 -16.9946 -15.9510 -15.9508 -15.8066 -15.8062 -15.5418 -15.5418 -7.0131 -7.0076 -6.1526 -6.1481 -5.4602 -5.4580 -4.8615 -4.8193 -3.6717 -3.6179 -3.6108 -3.4653 -3.0376 -3.0019 -2.7932 -2.7389 -2.5309 -2.4528 -1.2714 -1.2705 -0.9549 -0.9267 0.0050 0.0374 0.1711 0.2004 0.4472 0.4581 0.4968 0.5248 1.0271 1.0323 1.1663 1.1721 1.9553 1.9567 2.9294 2.9326 8.2125 8.2136 8.7755 8.8019 8.9873 9.0048 9.4915 9.4944 9.7582 9.7957 k = 0.1047-0.2202 0.7244 ( 18356 PWs) bands (ev): -40.1902 -40.1902 -19.0171 -19.0170 -17.1322 -17.1321 -16.9946 -16.9946 -15.9515 -15.9513 -15.8046 -15.8041 -15.5420 -15.5420 -7.0046 -6.9998 -6.1492 -6.1452 -5.4769 -5.4748 -4.8665 -4.8243 -3.6748 -3.6253 -3.6165 -3.4772 -3.0357 -3.0028 -2.7818 -2.7302 -2.5249 -2.4499 -1.2755 -1.2749 -0.9385 -0.9121 0.0033 0.0357 0.1706 0.1972 0.4429 0.4522 0.4952 0.5247 1.0366 1.0416 1.1690 1.1746 1.9619 1.9633 2.9301 2.9331 8.1895 8.1905 8.7625 8.7894 9.0067 9.0211 9.4944 9.4983 9.7764 9.8145 k = 0.0960-0.2019 0.7244 ( 18362 PWs) bands (ev): -40.1902 -40.1902 -19.0175 -19.0175 -17.1323 -17.1323 -16.9945 -16.9945 -15.9521 -15.9519 -15.8025 -15.8020 -15.5422 -15.5422 -6.9963 -6.9920 -6.1458 -6.1424 -5.4932 -5.4912 -4.8711 -4.8295 -3.6775 -3.6337 -3.6201 -3.4896 -3.0341 -3.0039 -2.7706 -2.7219 -2.5188 -2.4474 -1.2795 -1.2790 -0.9223 -0.8979 0.0020 0.0340 0.1698 0.1938 0.4384 0.4463 0.4944 0.5244 1.0458 1.0505 1.1715 1.1769 1.9685 1.9699 2.9308 2.9336 8.1670 8.1681 8.7468 8.7730 9.0313 9.0437 9.4974 9.5019 9.7927 9.8308 k = 0.0872-0.1835 0.7244 ( 18370 PWs) bands (ev): -40.1903 -40.1903 -19.0180 -19.0179 -17.1324 -17.1324 -16.9945 -16.9944 -15.9528 -15.9526 -15.8003 -15.7999 -15.5424 -15.5424 -6.9881 -6.9845 -6.1426 -6.1397 -5.5088 -5.5069 -4.8752 -4.8348 -3.6797 -3.6415 -3.6230 -3.5022 -3.0327 -3.0053 -2.7597 -2.7142 -2.5127 -2.4454 -1.2832 -1.2828 -0.9066 -0.8843 0.0010 0.0323 0.1689 0.1901 0.4338 0.4407 0.4942 0.5239 1.0543 1.0588 1.1738 1.1790 1.9749 1.9762 2.9315 2.9342 8.1454 8.1466 8.7297 8.7544 9.0599 9.0711 9.5007 9.5056 9.8061 9.8429 k = 0.0785-0.1652 0.7244 ( 18370 PWs) bands (ev): -40.1903 -40.1903 -19.0184 -19.0184 -17.1325 -17.1325 -16.9944 -16.9944 -15.9536 -15.9533 -15.7982 -15.7978 -15.5426 -15.5426 -6.9804 -6.9772 -6.1394 -6.1370 -5.5236 -5.5218 -4.8787 -4.8403 -3.6816 -3.6486 -3.6253 -3.5149 -3.0315 -3.0068 -2.7493 -2.7071 -2.5065 -2.4439 -1.2866 -1.2863 -0.8916 -0.8714 0.0005 0.0305 0.1678 0.1864 0.4293 0.4354 0.4946 0.5232 1.0624 1.0665 1.1759 1.1808 1.9810 1.9822 2.9323 2.9347 8.1250 8.1263 8.7123 8.7351 9.0914 9.1019 9.5043 9.5094 9.8152 9.8497 k = 0.0698-0.1468 0.7244 ( 18378 PWs) bands (ev): -40.1903 -40.1903 -19.0188 -19.0187 -17.1326 -17.1326 -16.9944 -16.9944 -15.9543 -15.9540 -15.7962 -15.7958 -15.5428 -15.5427 -6.9730 -6.9704 -6.1365 -6.1345 -5.5373 -5.5357 -4.8817 -4.8457 -3.6830 -3.6548 -3.6271 -3.5275 -3.0303 -3.0084 -2.7394 -2.7009 -2.5002 -2.4429 -1.2897 -1.2894 -0.8775 -0.8594 0.0003 0.0287 0.1667 0.1826 0.4252 0.4305 0.4953 0.5222 1.0697 1.0735 1.1778 1.1824 1.9867 1.9878 2.9331 2.9353 8.1061 8.1073 8.6953 8.7158 9.1246 9.1347 9.5083 9.5135 9.8192 9.8502 k = 0.0611-0.1285 0.7244 ( 18364 PWs) bands (ev): -40.1903 -40.1903 -19.0191 -19.0191 -17.1327 -17.1327 -16.9943 -16.9943 -15.9550 -15.9548 -15.7943 -15.7939 -15.5430 -15.5429 -6.9662 -6.9640 -6.1338 -6.1322 -5.5499 -5.5484 -4.8840 -4.8512 -3.6841 -3.6602 -3.6283 -3.5400 -3.0292 -3.0100 -2.7301 -2.6957 -2.4940 -2.4425 -1.2925 -1.2922 -0.8644 -0.8486 0.0006 0.0268 0.1655 0.1790 0.4214 0.4260 0.4963 0.5210 1.0764 1.0799 1.1795 1.1837 1.9920 1.9930 2.9338 2.9358 8.0889 8.0901 8.6794 8.6975 9.1588 9.1685 9.5131 9.5181 9.8172 9.8445 k = 0.0523-0.1101 0.7244 ( 18360 PWs) bands (ev): -40.1903 -40.1903 -19.0194 -19.0194 -17.1328 -17.1328 -16.9943 -16.9943 -15.9557 -15.9555 -15.7926 -15.7922 -15.5431 -15.5431 -6.9601 -6.9583 -6.1314 -6.1302 -5.5610 -5.5597 -4.8857 -4.8565 -3.6847 -3.6648 -3.6286 -3.5520 -3.0282 -3.0117 -2.7215 -2.6914 -2.4879 -2.4427 -1.2949 -1.2947 -0.8525 -0.8390 0.0013 0.0249 0.1643 0.1755 0.4181 0.4221 0.4975 0.5196 1.0823 1.0854 1.1810 1.1848 1.9968 1.9977 2.9345 2.9362 8.0736 8.0747 8.6650 8.6807 9.1927 9.2020 9.5188 9.5236 9.8092 9.8329 k = 0.0436-0.0918 0.7244 ( 18350 PWs) bands (ev): -40.1902 -40.1902 -19.0197 -19.0196 -17.1328 -17.1328 -16.9943 -16.9943 -15.9563 -15.9561 -15.7911 -15.7908 -15.5433 -15.5432 -6.9547 -6.9532 -6.1293 -6.1284 -5.5707 -5.5696 -4.8867 -4.8616 -3.6851 -3.6687 -3.6281 -3.5636 -3.0272 -3.0134 -2.7137 -2.6881 -2.4819 -2.4435 -1.2970 -1.2968 -0.8421 -0.8307 0.0023 0.0229 0.1632 0.1723 0.4153 0.4186 0.4990 0.5180 1.0875 1.0902 1.1824 1.1857 2.0010 2.0017 2.9352 2.9366 8.0603 8.0614 8.6525 8.6656 9.2253 9.2340 9.5258 9.5303 9.7957 9.8164 k = 0.0349-0.0734 0.7244 ( 18346 PWs) bands (ev): -40.1902 -40.1902 -19.0199 -19.0199 -17.1329 -17.1329 -16.9942 -16.9942 -15.9568 -15.9566 -15.7898 -15.7895 -15.5434 -15.5433 -6.9501 -6.9490 -6.1276 -6.1269 -5.5788 -5.5779 -4.8870 -4.8664 -3.6850 -3.6721 -3.6266 -3.5745 -3.0261 -3.0151 -2.7068 -2.6860 -2.4761 -2.4449 -1.2988 -1.2986 -0.8331 -0.8240 0.0037 0.0208 0.1624 0.1694 0.4130 0.4157 0.5006 0.5162 1.0918 1.0940 1.1836 1.1863 2.0045 2.0051 2.9357 2.9369 8.0494 8.0502 8.6422 8.6527 9.2552 9.2630 9.5343 9.5385 9.7782 9.7961 k = 0.0262-0.0551 0.7244 ( 18356 PWs) bands (ev): -40.1903 -40.1902 -19.0200 -19.0200 -17.1329 -17.1329 -16.9942 -16.9942 -15.9572 -15.9571 -15.7888 -15.7886 -15.5434 -15.5434 -6.9465 -6.9457 -6.1261 -6.1257 -5.5852 -5.5844 -4.8866 -4.8709 -3.6846 -3.6750 -3.6240 -3.5846 -3.0250 -3.0167 -2.7007 -2.6849 -2.4706 -2.4469 -1.3001 -1.3000 -0.8257 -0.8189 0.0054 0.0186 0.1618 0.1669 0.4113 0.4133 0.5024 0.5143 1.0953 1.0970 1.1846 1.1866 2.0073 2.0078 2.9362 2.9371 8.0407 8.0414 8.6343 8.6422 9.2810 9.2873 9.5443 9.5482 9.7589 9.7737 k = 0.0174-0.0367 0.7244 ( 18368 PWs) bands (ev): -40.1903 -40.1903 -19.0202 -19.0202 -17.1330 -17.1330 -16.9942 -16.9942 -15.9575 -15.9574 -15.7880 -15.7879 -15.5435 -15.5435 -6.9438 -6.9433 -6.1251 -6.1248 -5.5897 -5.5892 -4.8855 -4.8749 -3.6839 -3.6775 -3.6203 -3.5938 -3.0238 -3.0183 -2.6955 -2.6849 -2.4654 -2.4495 -1.3011 -1.3010 -0.8201 -0.8155 0.0074 0.0163 0.1615 0.1649 0.4102 0.4115 0.5043 0.5123 1.0979 1.0991 1.1854 1.1868 2.0094 2.0097 2.9366 2.9372 8.0346 8.0350 8.6289 8.6341 9.3010 9.3055 9.5551 9.5585 9.7407 9.7519 k = 0.0087-0.0184 0.7244 ( 18368 PWs) bands (ev): -40.1903 -40.1903 -19.0202 -19.0202 -17.1330 -17.1330 -16.9942 -16.9942 -15.9576 -15.9576 -15.7875 -15.7874 -15.5435 -15.5435 -6.9421 -6.9419 -6.1245 -6.1243 -5.5924 -5.5922 -4.8838 -4.8784 -3.6828 -3.6796 -3.6154 -3.6021 -3.0226 -3.0198 -2.6914 -2.6860 -2.4607 -2.4527 -1.3016 -1.3016 -0.8162 -0.8139 0.0095 0.0140 0.1617 0.1633 0.4096 0.4103 0.5062 0.5103 1.0996 1.1002 1.1860 1.1867 2.0107 2.0109 2.9370 2.9373 8.0309 8.0311 8.6261 8.6288 9.3140 9.3164 9.5646 9.5667 9.7279 9.7342 k = 0.0000 0.0000 0.7244 ( 18376 PWs) bands (ev): -40.1903 -40.1903 -19.0203 -19.0203 -17.1330 -17.1330 -16.9942 -16.9942 -15.9577 -15.9577 -15.7873 -15.7873 -15.5435 -15.5435 -6.9415 -6.9415 -6.1242 -6.1242 -5.5933 -5.5933 -4.8814 -4.8814 -3.6813 -3.6813 -3.6093 -3.6093 -3.0212 -3.0212 -2.6882 -2.6882 -2.4564 -2.4564 -1.3018 -1.3018 -0.8142 -0.8142 0.0117 0.0117 0.1623 0.1623 0.4097 0.4097 0.5082 0.5082 1.1004 1.1004 1.1865 1.1865 2.0112 2.0112 2.9372 2.9372 8.0297 8.0297 8.6261 8.6261 9.3192 9.3192 9.5693 9.5693 9.7252 9.7252 k = 0.0000 0.0000 0.7244 ( 18376 PWs) bands (ev): -40.1903 -40.1903 -19.0203 -19.0203 -17.1330 -17.1330 -16.9942 -16.9942 -15.9577 -15.9577 -15.7873 -15.7873 -15.5435 -15.5435 -6.9415 -6.9415 -6.1242 -6.1242 -5.5933 -5.5933 -4.8814 -4.8814 -3.6813 -3.6813 -3.6093 -3.6093 -3.0212 -3.0212 -2.6882 -2.6882 -2.4564 -2.4564 -1.3018 -1.3018 -0.8142 -0.8142 0.0117 0.0117 0.1623 0.1623 0.4097 0.4097 0.5082 0.5082 1.1004 1.1004 1.1865 1.1865 2.0112 2.0112 2.9372 2.9372 8.0297 8.0297 8.6261 8.6261 9.3192 9.3192 9.5693 9.5693 9.7252 9.7252 k = 0.0185 0.0088 0.7244 ( 18374 PWs) bands (ev): -40.1903 -40.1903 -19.0202 -19.0202 -17.1330 -17.1330 -16.9942 -16.9942 -15.9585 -15.9584 -15.7865 -15.7865 -15.5435 -15.5435 -6.9413 -6.9413 -6.1242 -6.1242 -5.5938 -5.5937 -4.8817 -4.8803 -3.6812 -3.6805 -3.6092 -3.6080 -3.0233 -3.0198 -2.6910 -2.6866 -2.4574 -2.4568 -1.3016 -1.3006 -0.8146 -0.8139 0.0119 0.0119 0.1612 0.1619 0.4094 0.4102 0.5076 0.5076 1.1006 1.1007 1.1854 1.1865 2.0116 2.0116 2.9371 2.9373 8.0293 8.0303 8.6264 8.6267 9.3183 9.3188 9.5690 9.5711 9.7259 9.7271 k = 0.0369 0.0176 0.7244 ( 18358 PWs) bands (ev): -40.1903 -40.1903 -19.0202 -19.0202 -17.1329 -17.1329 -16.9944 -16.9944 -15.9608 -15.9608 -15.7842 -15.7841 -15.5436 -15.5436 -6.9408 -6.9407 -6.1241 -6.1241 -5.5952 -5.5951 -4.8813 -4.8785 -3.6801 -3.6787 -3.6076 -3.6052 -3.0259 -3.0189 -2.6950 -2.6863 -2.4597 -2.4586 -1.2999 -1.2979 -0.8151 -0.8137 0.0122 0.0123 0.1588 0.1600 0.4093 0.4109 0.5057 0.5058 1.1013 1.1015 1.1832 1.1853 2.0129 2.0129 2.9372 2.9375 8.0291 8.0309 8.6275 8.6282 9.3161 9.3169 9.5702 9.5745 9.7292 9.7316 k = 0.0554 0.0263 0.7244 ( 18355 PWs) bands (ev): -40.1903 -40.1903 -19.0201 -19.0201 -17.1328 -17.1328 -16.9947 -16.9947 -15.9645 -15.9644 -15.7805 -15.7804 -15.5436 -15.5436 -6.9399 -6.9398 -6.1240 -6.1240 -5.5976 -5.5974 -4.8801 -4.8760 -3.6781 -3.6760 -3.6046 -3.6011 -3.0291 -3.0186 -2.7003 -2.6871 -2.4633 -2.4618 -1.2967 -1.2939 -0.8158 -0.8136 0.0129 0.0130 0.1551 0.1567 0.4096 0.4118 0.5026 0.5027 1.1026 1.1028 1.1799 1.1831 2.0150 2.0151 2.9373 2.9379 8.0290 8.0317 8.6296 8.6307 9.3126 9.3138 9.5728 9.5790 9.7349 9.7386 k = 0.0739 0.0351 0.7244 ( 18350 PWs) bands (ev): -40.1902 -40.1902 -19.0199 -19.0199 -17.1326 -17.1326 -16.9950 -16.9950 -15.9694 -15.9693 -15.7755 -15.7754 -15.5436 -15.5436 -6.9387 -6.9386 -6.1239 -6.1239 -5.6008 -5.6006 -4.8782 -4.8728 -3.6751 -3.6723 -3.6002 -3.5955 -3.0329 -3.0189 -2.7066 -2.6892 -2.4683 -2.4663 -1.2922 -1.2886 -0.8165 -0.8137 0.0138 0.0139 0.1501 0.1518 0.4104 0.4129 0.4983 0.4986 1.1043 1.1046 1.1756 1.1797 2.0180 2.0180 2.9376 2.9383 8.0289 8.0324 8.6327 8.6344 9.3080 9.3096 9.5764 9.5844 9.7428 9.7477 k = 0.0923 0.0439 0.7244 ( 18352 PWs) bands (ev): -40.1902 -40.1902 -19.0198 -19.0197 -17.1324 -17.1324 -16.9955 -16.9955 -15.9752 -15.9751 -15.7696 -15.7695 -15.5436 -15.5436 -6.9372 -6.9370 -6.1237 -6.1237 -5.6049 -5.6047 -4.8755 -4.8690 -3.6712 -3.6678 -3.5943 -3.5886 -3.0372 -3.0198 -2.7139 -2.6924 -2.4745 -2.4721 -1.2865 -1.2821 -0.8172 -0.8138 0.0150 0.0150 0.1438 0.1455 0.4118 0.4142 0.4931 0.4933 1.1064 1.1068 1.1702 1.1752 2.0217 2.0217 2.9379 2.9388 8.0289 8.0330 8.6368 8.6393 9.3025 9.3044 9.5808 9.5903 9.7527 9.7589 k = 0.1108 0.0527 0.7244 ( 18363 PWs) bands (ev): -40.1903 -40.1903 -19.0195 -19.0195 -17.1321 -17.1321 -16.9960 -16.9960 -15.9817 -15.9816 -15.7630 -15.7629 -15.5437 -15.5437 -6.9353 -6.9351 -6.1235 -6.1235 -5.6098 -5.6096 -4.8722 -4.8647 -3.6664 -3.6624 -3.5871 -3.5804 -3.0420 -3.0213 -2.7222 -2.6966 -2.4819 -2.4791 -1.2796 -1.2745 -0.8180 -0.8141 0.0163 0.0164 0.1364 0.1377 0.4137 0.4158 0.4870 0.4871 1.1088 1.1094 1.1639 1.1695 2.0261 2.0261 2.9382 2.9393 8.0289 8.0334 8.6420 8.6456 9.2963 9.2985 9.5855 9.5962 9.7642 9.7717 k = 0.1293 0.0615 0.7244 ( 18357 PWs) bands (ev): -40.1903 -40.1903 -19.0193 -19.0193 -17.1318 -17.1318 -16.9967 -16.9967 -15.9887 -15.9885 -15.7559 -15.7557 -15.5437 -15.5437 -6.9331 -6.9328 -6.1232 -6.1232 -5.6154 -5.6154 -4.8681 -4.8599 -3.6607 -3.6563 -3.5785 -3.5709 -3.0474 -3.0235 -2.7312 -2.7017 -2.4904 -2.4873 -1.2717 -1.2661 -0.8188 -0.8143 0.0178 0.0180 0.1280 0.1286 0.4164 0.4177 0.4801 0.4801 1.1115 1.1123 1.1566 1.1626 2.0311 2.0311 2.9386 2.9398 8.0287 8.0335 8.6485 8.6533 9.2896 9.2921 9.5902 9.6018 9.7770 9.7858 k = 0.1478 0.0702 0.7244 ( 18357 PWs) bands (ev): -40.1903 -40.1903 -19.0190 -19.0190 -17.1315 -17.1315 -16.9974 -16.9974 -15.9960 -15.9958 -15.7484 -15.7483 -15.5438 -15.5438 -6.9306 -6.9303 -6.1229 -6.1229 -5.6219 -5.6217 -4.8635 -4.8548 -3.6543 -3.6494 -3.5687 -3.5603 -3.0532 -3.0263 -2.7409 -2.7077 -2.5000 -2.4965 -1.2630 -1.2571 -0.8196 -0.8146 0.0193 0.0197 0.1184 0.1185 0.4198 0.4199 0.4725 0.4726 1.1142 1.1155 1.1484 1.1547 2.0366 2.0367 2.9390 2.9404 8.0283 8.0333 8.6563 8.6624 9.2826 9.2854 9.5946 9.6068 9.7908 9.8010 k = 0.1662 0.0790 0.7244 ( 18363 PWs) bands (ev): -40.1903 -40.1903 -19.0188 -19.0187 -17.1311 -17.1311 -16.9982 -16.9981 -16.0034 -16.0032 -15.7408 -15.7406 -15.5438 -15.5438 -6.9277 -6.9274 -6.1225 -6.1225 -5.6290 -5.6286 -4.8583 -4.8493 -3.6471 -3.6418 -3.5576 -3.5485 -3.0595 -3.0298 -2.7510 -2.7144 -2.5104 -2.5068 -1.2536 -1.2474 -0.8202 -0.8149 0.0207 0.0216 0.1073 0.1083 0.4225 0.4238 0.4644 0.4649 1.1165 1.1187 1.1399 1.1458 2.0426 2.0427 2.9394 2.9409 8.0277 8.0327 8.6654 8.6731 9.2754 9.2784 9.5987 9.6111 9.8053 9.8170 k = 0.1847 0.0878 0.7244 ( 18375 PWs) bands (ev): -40.1903 -40.1903 -19.0185 -19.0184 -17.1308 -17.1308 -16.9990 -16.9990 -16.0108 -16.0106 -15.7331 -15.7330 -15.5439 -15.5439 -6.9246 -6.9243 -6.1221 -6.1221 -5.6368 -5.6360 -4.8526 -4.8436 -3.6392 -3.6337 -3.5453 -3.5357 -3.0662 -3.0341 -2.7614 -2.7217 -2.5217 -2.5179 -1.2437 -1.2375 -0.8207 -0.8152 0.0220 0.0235 0.0957 0.0974 0.4251 0.4283 0.4561 0.4573 1.1169 1.1216 1.1327 1.1362 2.0490 2.0490 2.9397 2.9413 8.0268 8.0316 8.6757 8.6851 9.2681 9.2714 9.6024 9.6147 9.8203 9.8334 k = 0.2032 0.0966 0.7244 ( 18374 PWs) bands (ev): -40.1903 -40.1903 -19.0182 -19.0181 -17.1304 -17.1304 -16.9999 -16.9999 -16.0181 -16.0179 -15.7255 -15.7253 -15.5440 -15.5440 -6.9213 -6.9209 -6.1217 -6.1216 -5.6451 -5.6439 -4.8465 -4.8378 -3.6307 -3.6249 -3.5321 -3.5221 -3.0733 -3.0391 -2.7719 -2.7296 -2.5337 -2.5298 -1.2335 -1.2274 -0.8210 -0.8154 0.0227 0.0252 0.0841 0.0863 0.4269 0.4325 0.4486 0.4507 1.1113 1.1207 1.1295 1.1305 2.0556 2.0556 2.9399 2.9417 8.0256 8.0302 8.6873 8.6983 9.2609 9.2644 9.6058 9.6176 9.8355 9.8501 k = 0.2216 0.1054 0.7244 ( 18372 PWs) bands (ev): -40.1903 -40.1903 -19.0179 -19.0178 -17.1300 -17.1300 -17.0008 -17.0008 -16.0252 -16.0250 -15.7181 -15.7179 -15.5441 -15.5441 -6.9176 -6.9173 -6.1212 -6.1211 -5.6539 -5.6523 -4.8401 -4.8319 -3.6217 -3.6157 -3.5178 -3.5076 -3.0808 -3.0450 -2.7822 -2.7378 -2.5463 -2.5424 -1.2232 -1.2173 -0.8211 -0.8154 0.0222 0.0266 0.0733 0.0753 0.4259 0.4323 0.4458 0.4473 1.1010 1.1105 1.1312 1.1324 2.0624 2.0624 2.9401 2.9420 8.0242 8.0284 8.6999 8.7127 9.2538 9.2576 9.6088 9.6201 9.8508 9.8668 k = 0.2401 0.1141 0.7244 ( 18372 PWs) bands (ev): -40.1903 -40.1903 -19.0176 -19.0175 -17.1297 -17.1296 -17.0017 -17.0017 -16.0320 -16.0318 -15.7109 -15.7107 -15.5441 -15.5441 -6.9138 -6.9134 -6.1206 -6.1206 -5.6631 -5.6609 -4.8334 -4.8261 -3.6121 -3.6062 -3.5027 -3.4925 -3.0886 -3.0518 -2.7923 -2.7464 -2.5593 -2.5555 -1.2129 -1.2074 -0.8209 -0.8154 0.0197 0.0269 0.0645 0.0651 0.4209 0.4255 0.4486 0.4502 1.0888 1.0978 1.1346 1.1354 2.0692 2.0692 2.9400 2.9420 8.0225 8.0263 8.7135 8.7280 9.2469 9.2509 9.6116 9.6222 9.8659 9.8833 k = 0.2586 0.1229 0.7244 ( 18377 PWs) bands (ev): -40.1903 -40.1903 -19.0173 -19.0172 -17.1293 -17.1293 -17.0027 -17.0027 -16.0384 -16.0383 -15.7039 -15.7038 -15.5442 -15.5442 -6.9097 -6.9093 -6.1200 -6.1200 -5.6727 -5.6698 -4.8264 -4.8203 -3.6022 -3.5963 -3.4869 -3.4768 -3.0966 -3.0595 -2.8018 -2.7551 -2.5726 -2.5690 -1.2028 -1.1978 -0.8205 -0.8151 0.0141 0.0249 0.0573 0.0589 0.4136 0.4170 0.4526 0.4567 1.0757 1.0842 1.1382 1.1388 2.0759 2.0760 2.9399 2.9420 8.0207 8.0240 8.7280 8.7439 9.2402 9.2444 9.6140 9.6238 9.8808 9.8995 k = 0.2770 0.1317 0.7244 ( 18385 PWs) bands (ev): -40.1903 -40.1903 -19.0170 -19.0170 -17.1290 -17.1289 -17.0037 -17.0036 -16.0445 -16.0444 -15.6974 -15.6972 -15.5443 -15.5443 -6.9054 -6.9050 -6.1194 -6.1193 -5.6825 -5.6789 -4.8193 -4.8148 -3.5920 -3.5862 -3.4706 -3.4608 -3.1049 -3.0682 -2.8107 -2.7640 -2.5861 -2.5827 -1.1931 -1.1885 -0.8197 -0.8147 0.0057 0.0194 0.0532 0.0564 0.4056 0.4084 0.4580 0.4640 1.0620 1.0698 1.1417 1.1422 2.0826 2.0826 2.9395 2.9416 8.0186 8.0215 8.7430 8.7605 9.2338 9.2382 9.6158 9.6248 9.8953 9.9153 k = 0.2955 0.1405 0.7244 ( 18372 PWs) bands (ev): -40.1903 -40.1903 -19.0167 -19.0167 -17.1286 -17.1286 -17.0046 -17.0046 -16.0501 -16.0500 -15.6912 -15.6911 -15.5444 -15.5444 -6.9010 -6.9005 -6.1187 -6.1186 -5.6924 -5.6882 -4.8122 -4.8095 -3.5815 -3.5760 -3.4538 -3.4445 -3.1133 -3.0778 -2.8187 -2.7729 -2.5995 -2.5964 -1.1837 -1.1798 -0.8187 -0.8141 -0.0045 0.0109 0.0524 0.0563 0.3976 0.3999 0.4641 0.4715 1.0479 1.0550 1.1453 1.1456 2.0890 2.0890 2.9389 2.9411 8.0165 8.0189 8.7587 8.7773 9.2276 9.2323 9.6168 9.6249 9.9095 9.9306 k = 0.3140 0.1493 0.7244 ( 18381 PWs) bands (ev): -40.1903 -40.1903 -19.0165 -19.0165 -17.1284 -17.1283 -17.0055 -17.0055 -16.0552 -16.0551 -15.6855 -15.6854 -15.5445 -15.5445 -6.8964 -6.8959 -6.1179 -6.1179 -5.7026 -5.6975 -4.8051 -4.8046 -3.5710 -3.5659 -3.4368 -3.4282 -3.1217 -3.0884 -2.8258 -2.7817 -2.6127 -2.6100 -1.1749 -1.1716 -0.8173 -0.8133 -0.0153 0.0012 0.0534 0.0574 0.3898 0.3918 0.4705 0.4791 1.0337 1.0399 1.1487 1.1489 2.0951 2.0951 2.9380 2.9403 8.0144 8.0162 8.7747 8.7944 9.2218 9.2266 9.6165 9.6237 9.9231 9.9454 k = 0.3325 0.1580 0.7244 ( 18367 PWs) bands (ev): -40.1903 -40.1903 -19.0164 -19.0163 -17.1281 -17.1281 -17.0064 -17.0064 -16.0597 -16.0597 -15.6803 -15.6802 -15.5446 -15.5445 -6.8917 -6.8912 -6.1171 -6.1171 -5.7127 -5.7068 -4.8001 -4.7981 -3.5605 -3.5559 -3.4197 -3.4120 -3.1302 -3.0999 -2.8318 -2.7903 -2.6255 -2.6233 -1.1667 -1.1640 -0.8157 -0.8123 -0.0258 -0.0088 0.0553 0.0592 0.3824 0.3842 0.4769 0.4865 1.0196 1.0248 1.1520 1.1522 2.1007 2.1008 2.9369 2.9392 8.0123 8.0136 8.7911 8.8115 9.2162 9.2213 9.6144 9.6208 9.9363 9.9596 k = 0.5000 0.2377-0.1934 ( 18390 PWs) bands (ev): -40.1903 -40.1903 -19.0379 -19.0379 -17.1291 -17.1291 -17.0605 -17.0605 -16.0317 -16.0317 -15.6108 -15.6108 -15.5509 -15.5509 -6.5470 -6.5470 -6.1274 -6.1274 -6.0371 -6.0371 -4.7315 -4.7315 -3.4531 -3.4531 -3.3093 -3.3093 -3.2111 -3.2111 -2.7702 -2.7702 -2.6505 -2.6505 -1.0450 -1.0450 -0.9084 -0.9084 -0.0854 -0.0854 0.0619 0.0619 0.3496 0.3496 0.4923 0.4923 1.0339 1.0339 1.1327 1.1327 2.1275 2.1275 2.5548 2.5548 7.5403 7.5403 8.6353 8.6353 8.8064 8.8064 9.4858 9.4858 9.7969 9.7969 k = 0.5089 0.2190-0.1934 ( 18384 PWs) bands (ev): -40.1903 -40.1903 -19.0379 -19.0379 -17.1292 -17.1292 -17.0605 -17.0605 -16.0317 -16.0317 -15.6110 -15.6109 -15.5508 -15.5507 -6.5483 -6.5462 -6.1283 -6.1277 -6.0364 -6.0356 -4.7367 -4.7264 -3.4591 -3.4491 -3.3180 -3.2993 -3.2120 -3.2087 -2.7718 -2.7702 -2.6508 -2.6495 -1.0449 -1.0437 -0.9090 -0.9089 -0.0887 -0.0867 0.0625 0.0660 0.3483 0.3502 0.4918 0.4928 1.0339 1.0346 1.1324 1.1326 2.1264 2.1272 2.5546 2.5557 7.5414 7.5418 8.6183 8.6237 8.8141 8.8213 9.4870 9.4901 9.7976 9.7986 k = 0.5178 0.2003-0.1934 ( 18376 PWs) bands (ev): -40.1903 -40.1903 -19.0378 -19.0378 -17.1294 -17.1293 -17.0605 -17.0605 -16.0316 -16.0315 -15.6116 -15.6113 -15.5505 -15.5503 -6.5501 -6.5460 -6.1302 -6.1291 -6.0336 -6.0321 -4.7417 -4.7213 -3.4667 -3.4473 -3.3248 -3.2888 -3.2107 -3.2050 -2.7751 -2.7719 -2.6506 -2.6479 -1.0434 -1.0408 -0.9108 -0.9106 -0.0958 -0.0922 0.0675 0.0742 0.3464 0.3501 0.4914 0.4934 1.0346 1.0359 1.1318 1.1323 2.1238 2.1255 2.5551 2.5574 7.5450 7.5457 8.5820 8.5898 8.8385 8.8498 9.4935 9.4997 9.8006 9.8026 k = 0.5267 0.1816-0.1934 ( 18376 PWs) bands (ev): -40.1903 -40.1903 -19.0376 -19.0376 -17.1296 -17.1296 -17.0605 -17.0604 -16.0315 -16.0314 -15.6124 -15.6120 -15.5500 -15.5497 -6.5525 -6.5464 -6.1328 -6.1315 -6.0289 -6.0269 -4.7467 -4.7164 -3.4755 -3.4479 -3.3295 -3.2793 -3.2066 -3.2000 -2.7799 -2.7752 -2.6498 -2.6458 -1.0404 -1.0366 -0.9137 -0.9134 -0.1059 -0.1009 0.0758 0.0854 0.3439 0.3494 0.4912 0.4943 1.0358 1.0379 1.1309 1.1316 2.1199 2.1224 2.5564 2.5598 7.5511 7.5521 8.5359 8.5446 8.8689 8.8826 9.5049 9.5138 9.8057 9.8087 k = 0.5355 0.1629-0.1934 ( 18370 PWs) bands (ev): -40.1903 -40.1903 -19.0374 -19.0374 -17.1300 -17.1300 -17.0604 -17.0604 -16.0313 -16.0311 -15.6136 -15.6130 -15.5493 -15.5489 -6.5553 -6.5473 -6.1360 -6.1346 -6.0226 -6.0203 -4.7514 -4.7116 -3.4851 -3.4504 -3.3326 -3.2722 -3.1987 -3.1936 -2.7861 -2.7798 -2.6487 -2.6433 -1.0361 -1.0311 -0.9176 -0.9172 -0.1177 -0.1116 0.0863 0.0983 0.3406 0.3479 0.4913 0.4954 1.0377 1.0404 1.1298 1.1307 2.1146 2.1179 2.5584 2.5629 7.5595 7.5608 8.4849 8.4939 8.9004 8.9155 9.5207 9.5317 9.8128 9.8168 k = 0.5444 0.1442-0.1934 ( 18382 PWs) bands (ev): -40.1903 -40.1903 -19.0371 -19.0371 -17.1305 -17.1305 -17.0603 -17.0603 -16.0310 -16.0308 -15.6151 -15.6144 -15.5484 -15.5479 -6.5585 -6.5487 -6.1393 -6.1381 -6.0151 -6.0126 -4.7559 -4.7070 -3.4952 -3.4545 -3.3345 -3.2680 -3.1881 -3.1845 -2.7934 -2.7857 -2.6472 -2.6403 -1.0307 -1.0245 -0.9224 -0.9220 -0.1304 -0.1234 0.0977 0.1120 0.3366 0.3457 0.4919 0.4970 1.0401 1.0434 1.1285 1.1296 2.1081 2.1121 2.5612 2.5667 7.5702 7.5718 8.4312 8.4404 8.9310 8.9471 9.5398 9.5525 9.8217 9.8267 k = 0.5533 0.1255-0.1934 ( 18374 PWs) bands (ev): -40.1903 -40.1903 -19.0368 -19.0368 -17.1312 -17.1311 -17.0602 -17.0601 -16.0306 -16.0304 -15.6168 -15.6161 -15.5473 -15.5467 -6.5620 -6.5506 -6.1427 -6.1419 -6.0066 -6.0041 -4.7602 -4.7028 -3.5054 -3.4595 -3.3358 -3.2664 -3.1785 -3.1698 -2.8017 -2.7925 -2.6455 -2.6371 -1.0243 -1.0171 -0.9280 -0.9276 -0.1433 -0.1355 0.1094 0.1259 0.3319 0.3426 0.4932 0.4992 1.0430 1.0468 1.1270 1.1284 2.1004 2.1051 2.5645 2.5711 7.5830 7.5848 8.3762 8.3856 8.9601 8.9769 9.5614 9.5751 9.8323 9.8382 k = 0.5622 0.1069-0.1934 ( 18376 PWs) bands (ev): -40.1903 -40.1903 -19.0364 -19.0364 -17.1319 -17.1318 -17.0600 -17.0599 -16.0302 -16.0299 -15.6189 -15.6180 -15.5461 -15.5453 -6.5658 -6.5530 -6.1461 -6.1457 -5.9973 -5.9950 -4.7640 -4.6988 -3.5156 -3.4652 -3.3371 -3.2666 -3.1686 -3.1520 -2.8108 -2.8001 -2.6437 -2.6337 -1.0173 -1.0090 -0.9341 -0.9337 -0.1561 -0.1475 0.1206 0.1394 0.3267 0.3386 0.4953 0.5022 1.0462 1.0506 1.1255 1.1271 2.0916 2.0970 2.5685 2.5760 7.5976 7.5995 8.3208 8.3306 8.9879 9.0052 9.5842 9.5985 9.8445 9.8512 k = 0.5711 0.0882-0.1934 ( 18366 PWs) bands (ev): -40.1903 -40.1903 -19.0360 -19.0359 -17.1328 -17.1327 -17.0597 -17.0597 -16.0296 -16.0293 -15.6212 -15.6203 -15.5446 -15.5439 -6.5697 -6.5557 -6.1496 -6.1493 -5.9876 -5.9854 -4.7675 -4.6952 -3.5255 -3.4710 -3.3386 -3.2680 -3.1576 -3.1328 -2.8203 -2.8082 -2.6418 -2.6302 -1.0100 -1.0008 -0.9405 -0.9398 -0.1684 -0.1591 0.1310 0.1520 0.3210 0.3337 0.4984 0.5060 1.0497 1.0545 1.1239 1.1259 2.0819 2.0878 2.5730 2.5815 7.6138 7.6158 8.2659 8.2760 9.0144 9.0321 9.6075 9.6221 9.8582 9.8655 k = 0.5800 0.0695-0.1934 ( 18368 PWs) bands (ev): -40.1903 -40.1903 -19.0355 -19.0355 -17.1338 -17.1337 -17.0594 -17.0594 -16.0290 -16.0286 -15.6237 -15.6228 -15.5431 -15.5423 -6.5738 -6.5587 -6.1533 -6.1523 -5.9776 -5.9756 -4.7706 -4.6921 -3.5352 -3.4767 -3.3406 -3.2702 -3.1459 -3.1131 -2.8299 -2.8166 -2.6398 -2.6265 -1.0034 -0.9935 -0.9462 -0.9451 -0.1799 -0.1700 0.1401 0.1635 0.3150 0.3281 0.5024 0.5107 1.0535 1.0586 1.1225 1.1248 2.0713 2.0778 2.5781 2.5874 7.6312 7.6331 8.2122 8.2227 9.0400 9.0580 9.6305 9.6450 9.8734 9.8812 k = 0.5889 0.0508-0.1934 ( 18382 PWs) bands (ev): -40.1903 -40.1903 -19.0351 -19.0350 -17.1348 -17.1347 -17.0590 -17.0590 -16.0282 -16.0278 -15.6265 -15.6255 -15.5414 -15.5406 -6.5779 -6.5619 -6.1568 -6.1552 -5.9674 -5.9656 -4.7731 -4.6893 -3.5444 -3.4821 -3.3431 -3.2730 -3.1336 -3.0935 -2.8394 -2.8249 -2.6378 -2.6229 -0.9988 -0.9890 -0.9499 -0.9480 -0.1905 -0.1801 0.1477 0.1736 0.3090 0.3220 0.5074 0.5162 1.0574 1.0628 1.1212 1.1238 2.0600 2.0670 2.5835 2.5937 7.6492 7.6510 8.1605 8.1715 9.0649 9.0832 9.6526 9.6667 9.8899 9.8980 k = 0.5977 0.0321-0.1934 ( 18380 PWs) bands (ev): -40.1903 -40.1903 -19.0346 -19.0345 -17.1360 -17.1359 -17.0586 -17.0585 -16.0273 -16.0269 -15.6295 -15.6285 -15.5397 -15.5389 -6.5821 -6.5652 -6.1602 -6.1579 -5.9571 -5.9557 -4.7753 -4.6870 -3.5532 -3.4870 -3.3461 -3.2760 -3.1211 -3.0749 -2.8484 -2.8327 -2.6359 -2.6192 -0.9977 -0.9893 -0.9498 -0.9466 -0.2000 -0.1893 0.1534 0.1821 0.3032 0.3154 0.5132 0.5224 1.0614 1.0670 1.1201 1.1232 2.0481 2.0555 2.5894 2.6003 7.6672 7.6686 8.1117 8.1233 9.0892 9.1078 9.6734 9.6871 9.9076 9.9158 k = 0.6066 0.0134-0.1934 ( 18372 PWs) bands (ev): -40.1903 -40.1903 -19.0340 -19.0340 -17.1373 -17.1372 -17.0580 -17.0580 -16.0263 -16.0258 -15.6327 -15.6317 -15.5379 -15.5371 -6.5861 -6.5687 -6.1634 -6.1604 -5.9470 -5.9458 -4.7769 -4.6852 -3.5616 -3.4914 -3.3496 -3.2793 -3.1088 -3.0578 -2.8563 -2.8395 -2.6339 -2.6155 -1.0009 -0.9944 -0.9457 -0.9408 -0.2084 -0.1974 0.1572 0.1888 0.2981 0.3088 0.5198 0.5291 1.0655 1.0711 1.1193 1.1229 2.0358 2.0435 2.5955 2.6071 7.6839 7.6850 8.0670 8.0792 9.1130 9.1319 9.6928 9.7059 9.9261 9.9341 k = 0.6155-0.0053-0.1934 ( 18376 PWs) bands (ev): -40.1903 -40.1903 -19.0335 -19.0334 -17.1387 -17.1386 -17.0574 -17.0573 -16.0251 -16.0246 -15.6361 -15.6350 -15.5361 -15.5353 -6.5900 -6.5722 -6.1663 -6.1627 -5.9372 -5.9362 -4.7780 -4.6838 -3.5696 -3.4951 -3.3535 -3.2828 -3.0970 -3.0434 -2.8627 -2.8445 -2.6320 -2.6120 -1.0070 -1.0022 -0.9389 -0.9328 -0.2154 -0.2044 0.1589 0.1936 0.2937 0.3025 0.5268 0.5362 1.0695 1.0751 1.1189 1.1230 2.0232 2.0312 2.6019 2.6141 7.6976 7.6986 8.0280 8.0409 9.1364 9.1555 9.7107 9.7231 9.9448 9.9525 k = 0.6244-0.0240-0.1934 ( 18360 PWs) bands (ev): -40.1903 -40.1903 -19.0330 -19.0329 -17.1401 -17.1400 -17.0567 -17.0566 -16.0238 -16.0233 -15.6396 -15.6386 -15.5342 -15.5334 -6.5938 -6.5756 -6.1690 -6.1649 -5.9276 -5.9270 -4.7787 -4.6830 -3.5773 -3.4980 -3.3577 -3.2863 -3.0864 -3.0324 -2.8674 -2.8466 -2.6302 -2.6085 -1.0148 -1.0111 -0.9309 -0.9240 -0.2210 -0.2101 0.1587 0.1962 0.2904 0.2969 0.5341 0.5435 1.0736 1.0790 1.1187 1.1235 2.0104 2.0186 2.6083 2.6211 7.7062 7.7077 7.9968 8.0104 9.1591 9.1784 9.7271 9.7387 9.9628 9.9702 k = 0.6333-0.0427-0.1934 ( 18344 PWs) bands (ev): -40.1903 -40.1903 -19.0325 -19.0324 -17.1415 -17.1414 -17.0559 -17.0558 -16.0223 -16.0218 -15.6433 -15.6423 -15.5324 -15.5316 -6.5973 -6.5790 -6.1715 -6.1669 -5.9185 -5.9181 -4.7789 -4.6826 -3.5847 -3.5000 -3.3621 -3.2899 -3.0774 -3.0257 -2.8702 -2.8451 -2.6284 -2.6051 -1.0234 -1.0207 -0.9224 -0.9152 -0.2252 -0.2144 0.1566 0.1966 0.2881 0.2924 0.5415 0.5507 1.0776 1.0829 1.1189 1.1243 1.9975 2.0058 2.6149 2.6280 7.7074 7.7096 7.9760 7.9899 9.1810 9.2004 9.7422 9.7526 9.9790 9.9863 k = 0.6422-0.0614-0.1934 ( 18344 PWs) bands (ev): -40.1903 -40.1903 -19.0320 -19.0319 -17.1430 -17.1429 -17.0551 -17.0550 -16.0207 -16.0202 -15.6471 -15.6461 -15.5306 -15.5298 -6.6006 -6.5822 -6.1738 -6.1688 -5.9100 -5.9098 -4.7786 -4.6826 -3.5918 -3.5012 -3.3665 -3.2934 -3.0706 -3.0232 -2.8709 -2.8393 -2.6268 -2.6020 -1.0322 -1.0303 -0.9141 -0.9069 -0.2279 -0.2175 0.1530 0.1949 0.2868 0.2893 0.5488 0.5578 1.0815 1.0867 1.1195 1.1254 1.9847 1.9931 2.6213 2.6349 7.6999 7.7029 7.9668 7.9806 9.2018 9.2212 9.7557 9.7647 9.9923 9.9999 k = 0.6511-0.0801-0.1934 ( 18350 PWs) bands (ev): -40.1903 -40.1903 -19.0315 -19.0314 -17.1445 -17.1443 -17.0542 -17.0541 -16.0189 -16.0184 -15.6511 -15.6501 -15.5289 -15.5281 -6.6036 -6.5852 -6.1759 -6.1705 -5.9022 -5.9019 -4.7780 -4.6832 -3.5988 -3.5015 -3.3710 -3.2970 -3.0664 -3.0246 -2.8693 -2.8299 -2.6252 -2.5990 -1.0409 -1.0400 -0.9063 -0.8993 -0.2291 -0.2191 0.1483 0.1914 0.2861 0.2875 0.5558 0.5645 1.0855 1.0904 1.1202 1.1267 1.9720 1.9805 2.6277 2.6415 7.6846 7.6882 7.9686 7.9818 9.2211 9.2403 9.7676 9.7746 10.0016 10.0102 k = 0.6599-0.0988-0.1934 ( 18355 PWs) bands (ev): -40.1903 -40.1903 -19.0311 -19.0310 -17.1459 -17.1458 -17.0533 -17.0532 -16.0169 -16.0164 -15.6551 -15.6541 -15.5273 -15.5265 -6.6063 -6.5881 -6.1777 -6.1722 -5.8952 -5.8946 -4.7770 -4.6841 -3.6057 -3.5011 -3.3753 -3.3005 -3.0649 -3.0288 -2.8653 -2.8177 -2.6238 -2.5962 -1.0495 -1.0493 -0.8991 -0.8925 -0.2287 -0.2192 0.1427 0.1863 0.2859 0.2873 0.5624 0.5707 1.0894 1.0942 1.1212 1.1282 1.9597 1.9680 2.6338 2.6479 7.6638 7.6679 7.9786 7.9910 9.2383 9.2572 9.7776 9.7820 10.0067 10.0170 k = 0.6688-0.1174-0.1934 ( 18361 PWs) bands (ev): -40.1903 -40.1903 -19.0308 -19.0307 -17.1473 -17.1472 -17.0523 -17.0523 -16.0148 -16.0143 -15.6592 -15.6582 -15.5257 -15.5249 -6.6086 -6.5906 -6.1793 -6.1737 -5.8889 -5.8880 -4.7758 -4.6854 -3.6124 -3.4999 -3.3794 -3.3041 -3.0660 -3.0348 -2.8591 -2.8039 -2.6225 -2.5937 -1.0584 -1.0574 -0.8927 -0.8867 -0.2268 -0.2179 0.1368 0.1802 0.2862 0.2880 0.5686 0.5764 1.0933 1.0980 1.1223 1.1297 1.9477 1.9560 2.6395 2.6538 7.6402 7.6448 7.9939 8.0055 9.2530 9.2712 9.7849 9.7864 10.0083 10.0212 k = 0.6777-0.1361-0.1934 ( 18369 PWs) bands (ev): -40.1903 -40.1903 -19.0305 -19.0304 -17.1485 -17.1485 -17.0514 -17.0513 -16.0125 -16.0120 -15.6633 -15.6623 -15.5243 -15.5235 -6.6105 -6.5929 -6.1807 -6.1751 -5.8835 -5.8822 -4.7744 -4.6870 -3.6190 -3.4982 -3.3831 -3.3076 -3.0692 -3.0420 -2.8509 -2.7892 -2.6215 -2.5914 -1.0671 -1.0649 -0.8872 -0.8819 -0.2234 -0.2152 0.1307 0.1735 0.2870 0.2894 0.5743 0.5816 1.0971 1.1018 1.1235 1.1312 1.9362 1.9443 2.6449 2.6593 7.6161 7.6210 8.0121 8.0229 9.2643 9.2818 9.7860 9.7899 10.0084 10.0245 k = 0.6866-0.1548-0.1934 ( 18367 PWs) bands (ev): -40.1903 -40.1903 -19.0302 -19.0301 -17.1497 -17.1497 -17.0504 -17.0504 -16.0101 -16.0096 -15.6674 -15.6665 -15.5230 -15.5222 -6.6121 -6.5949 -6.1820 -6.1765 -5.8789 -5.8772 -4.7730 -4.6889 -3.6255 -3.4960 -3.3863 -3.3112 -3.0742 -3.0495 -2.8413 -2.7743 -2.6206 -2.5894 -1.0752 -1.0719 -0.8826 -0.8781 -0.2186 -0.2110 0.1248 0.1666 0.2884 0.2911 0.5794 0.5861 1.1008 1.1055 1.1247 1.1326 1.9252 1.9331 2.6498 2.6642 7.5927 7.5980 8.0317 8.0418 9.2719 9.2884 9.7818 9.7905 10.0092 10.0287 k = 0.3134-0.6592-0.0000 ( 18367 PWs) bands (ev): -40.1903 -40.1903 -19.0302 -19.0301 -17.1497 -17.1497 -17.0504 -17.0504 -16.0101 -16.0096 -15.6674 -15.6665 -15.5230 -15.5222 -6.6121 -6.5949 -6.1820 -6.1765 -5.8789 -5.8772 -4.7730 -4.6889 -3.6255 -3.4960 -3.3863 -3.3112 -3.0742 -3.0495 -2.8413 -2.7743 -2.6206 -2.5894 -1.0752 -1.0719 -0.8826 -0.8781 -0.2186 -0.2110 0.1248 0.1666 0.2884 0.2911 0.5794 0.5861 1.1008 1.1055 1.1247 1.1326 1.9252 1.9331 2.6498 2.6642 7.5927 7.5980 8.0317 8.0418 9.2719 9.2884 9.7818 9.7905 10.0092 10.0287 k = 0.3044-0.6404-0.0000 ( 18369 PWs) bands (ev): -40.1903 -40.1903 -19.0300 -19.0299 -17.1508 -17.1508 -17.0494 -17.0494 -16.0075 -16.0070 -15.6716 -15.6707 -15.5218 -15.5211 -6.6133 -6.5965 -6.1830 -6.1778 -5.8752 -5.8730 -4.7716 -4.6909 -3.6319 -3.4936 -3.3889 -3.3149 -3.0803 -3.0571 -2.8307 -2.7596 -2.6200 -2.5876 -1.0828 -1.0782 -0.8789 -0.8752 -0.2124 -0.2054 0.1192 0.1598 0.2902 0.2931 0.5841 0.5902 1.1044 1.1091 1.1259 1.1338 1.9149 1.9225 2.6541 2.6685 7.5709 7.5765 8.0515 8.0610 9.2750 9.2904 9.7732 9.7869 10.0121 10.0350 k = 0.2955-0.6216-0.0000 ( 18371 PWs) bands (ev): -40.1903 -40.1903 -19.0299 -19.0299 -17.1518 -17.1517 -17.0485 -17.0485 -16.0048 -16.0043 -15.6757 -15.6748 -15.5208 -15.5201 -6.6141 -6.5978 -6.1839 -6.1790 -5.8724 -5.8697 -4.7703 -4.6931 -3.6382 -3.4911 -3.3908 -3.3188 -3.0869 -3.0645 -2.8197 -2.7454 -2.6197 -2.5861 -1.0897 -1.0839 -0.8761 -0.8732 -0.2050 -0.1986 0.1141 0.1533 0.2923 0.2955 0.5883 0.5937 1.1078 1.1125 1.1269 1.1348 1.9052 1.9125 2.6577 2.6721 7.5515 7.5574 8.0708 8.0797 9.2733 9.2875 9.7605 9.7790 10.0176 10.0433 k = 0.2865-0.6027-0.0000 ( 18355 PWs) bands (ev): -40.1903 -40.1903 -19.0299 -19.0298 -17.1525 -17.1525 -17.0476 -17.0476 -16.0019 -16.0015 -15.6798 -15.6789 -15.5200 -15.5193 -6.6145 -6.5987 -6.1846 -6.1801 -5.8706 -5.8673 -4.7694 -4.6953 -3.6445 -3.4888 -3.3918 -3.3228 -3.0938 -3.0714 -2.8085 -2.7322 -2.6196 -2.5849 -1.0960 -1.0889 -0.8741 -0.8719 -0.1966 -0.1904 0.1098 0.1475 0.2947 0.2980 0.5921 0.5967 1.1109 1.1157 1.1277 1.1356 1.8964 1.9033 2.6606 2.6749 7.5349 7.5410 8.0889 8.0973 9.2665 9.2793 9.7445 9.7671 10.0252 10.0530 k = 0.2776-0.5839-0.0000 ( 18365 PWs) bands (ev): -40.1903 -40.1903 -19.0300 -19.0299 -17.1531 -17.1531 -17.0467 -17.0467 -15.9990 -15.9985 -15.6838 -15.6829 -15.5193 -15.5186 -6.6145 -6.5992 -6.1851 -6.1811 -5.8696 -5.8659 -4.7690 -4.6974 -3.6507 -3.4868 -3.3919 -3.3269 -3.1005 -3.0776 -2.7974 -2.7199 -2.6198 -2.5839 -1.1016 -1.0931 -0.8729 -0.8711 -0.1873 -0.1810 0.1062 0.1424 0.2974 0.3008 0.5956 0.5994 1.1137 1.1185 1.1282 1.1360 1.8884 1.8949 2.6627 2.6768 7.5213 7.5277 8.1055 8.1133 9.2543 9.2659 9.7255 9.7517 10.0339 10.0629 k = 0.2686-0.5651-0.0000 ( 18361 PWs) bands (ev): -40.1903 -40.1903 -19.0302 -19.0301 -17.1535 -17.1535 -17.0459 -17.0459 -15.9959 -15.9955 -15.6877 -15.6868 -15.5188 -15.5182 -6.6140 -6.5994 -6.1856 -6.1820 -5.8696 -5.8653 -4.7692 -4.6993 -3.6569 -3.4853 -3.3912 -3.3312 -3.1068 -3.0830 -2.7868 -2.7088 -2.6204 -2.5831 -1.1065 -1.0967 -0.8726 -0.8708 -0.1775 -0.1705 0.1036 0.1383 0.3002 0.3038 0.5987 0.6017 1.1162 1.1209 1.1284 1.1362 1.8814 1.8874 2.6640 2.6779 7.5107 7.5174 8.1202 8.1276 9.2370 9.2474 9.7041 9.7332 10.0425 10.0720 k = 0.2597-0.5462-0.0000 ( 18367 PWs) bands (ev): -40.1903 -40.1903 -19.0304 -19.0303 -17.1538 -17.1537 -17.0452 -17.0451 -15.9928 -15.9923 -15.6914 -15.6906 -15.5186 -15.5179 -6.6132 -6.5991 -6.1860 -6.1827 -5.8705 -5.8657 -4.7701 -4.7009 -3.6631 -3.4845 -3.3896 -3.3355 -3.1125 -3.0876 -2.7766 -2.6988 -2.6212 -2.5825 -1.1107 -1.0997 -0.8728 -0.8707 -0.1672 -0.1590 0.1019 0.1353 0.3032 0.3070 0.6016 0.6038 1.1183 1.1228 1.1282 1.1360 1.8753 1.8809 2.6643 2.6780 7.5033 7.5103 8.1329 8.1399 9.2147 9.2240 9.6806 9.7119 10.0500 10.0792 k = 0.2507-0.5274-0.0000 ( 18351 PWs) bands (ev): -40.1903 -40.1903 -19.0308 -19.0307 -17.1538 -17.1537 -17.0445 -17.0444 -15.9895 -15.9891 -15.6950 -15.6942 -15.5185 -15.5179 -6.6119 -6.5985 -6.1863 -6.1833 -5.8723 -5.8670 -4.7718 -4.7021 -3.6693 -3.4842 -3.3874 -3.3398 -3.1177 -3.0912 -2.7670 -2.6901 -2.6223 -2.5818 -1.1142 -1.1020 -0.8735 -0.8709 -0.1567 -0.1467 0.1012 0.1334 0.3065 0.3105 0.6041 0.6057 1.1199 1.1241 1.1277 1.1355 1.8703 1.8754 2.6637 2.6771 7.4989 7.5064 8.1436 8.1502 9.1875 9.1959 9.6554 9.6882 10.0556 10.0839 k = 0.2418-0.5086-0.0000 ( 18349 PWs) bands (ev): -40.1903 -40.1903 -19.0312 -19.0311 -17.1536 -17.1535 -17.0438 -17.0438 -15.9863 -15.9859 -15.6985 -15.6977 -15.5186 -15.5180 -6.6103 -6.5975 -6.1866 -6.1837 -5.8749 -5.8692 -4.7742 -4.7031 -3.6755 -3.4846 -3.3847 -3.3441 -3.1223 -3.0938 -2.7580 -2.6826 -2.6238 -2.5812 -1.1171 -1.1039 -0.8744 -0.8714 -0.1461 -0.1337 0.1016 0.1328 0.3100 0.3141 0.6062 0.6077 1.1210 1.1246 1.1269 1.1349 1.8664 1.8710 2.6621 2.6752 7.4975 7.5054 8.1523 8.1585 9.1558 9.1635 9.6288 9.6626 10.0588 10.0859 k = 0.2328-0.4897-0.0000 ( 18359 PWs) bands (ev): -40.1903 -40.1903 -19.0317 -19.0316 -17.1531 -17.1531 -17.0433 -17.0432 -15.9830 -15.9826 -15.7017 -15.7010 -15.5189 -15.5183 -6.6082 -6.5960 -6.1870 -6.1839 -5.8783 -5.8722 -4.7775 -4.7038 -3.6819 -3.4854 -3.3818 -3.3481 -3.1262 -3.0956 -2.7496 -2.6764 -2.6255 -2.5805 -1.1193 -1.1052 -0.8755 -0.8722 -0.1355 -0.1203 0.1031 0.1335 0.3136 0.3180 0.6078 0.6099 1.1211 1.1244 1.1259 1.1343 1.8636 1.8677 2.6595 2.6723 7.4988 7.5073 8.1590 8.1650 9.1199 9.1271 9.6016 9.6357 10.0594 10.0852 k = 0.2239-0.4709-0.0000 ( 18355 PWs) bands (ev): -40.1903 -40.1903 -19.0323 -19.0323 -17.1525 -17.1525 -17.0428 -17.0427 -15.9797 -15.9793 -15.7048 -15.7041 -15.5194 -15.5188 -6.6058 -6.5943 -6.1875 -6.1839 -5.8824 -5.8760 -4.7814 -4.7043 -3.6883 -3.4867 -3.3789 -3.3518 -3.1294 -3.0966 -2.7418 -2.6714 -2.6274 -2.5795 -1.1210 -1.1061 -0.8766 -0.8730 -0.1251 -0.1066 0.1057 0.1357 0.3175 0.3221 0.6092 0.6121 1.1198 1.1233 1.1255 1.1337 1.8619 1.8656 2.6560 2.6685 7.5026 7.5116 8.1640 8.1699 9.0801 9.0869 9.5740 9.6082 10.0572 10.0818 k = 0.2149-0.4521-0.0000 ( 18361 PWs) bands (ev): -40.1903 -40.1903 -19.0330 -19.0330 -17.1517 -17.1517 -17.0424 -17.0423 -15.9764 -15.9761 -15.7076 -15.7069 -15.5201 -15.5195 -6.6031 -6.5921 -6.1879 -6.1837 -5.8872 -5.8806 -4.7859 -4.7049 -3.6947 -3.4882 -3.3765 -3.3550 -3.1321 -3.0969 -2.7344 -2.6676 -2.6296 -2.5782 -1.1220 -1.1066 -0.8778 -0.8739 -0.1150 -0.0928 0.1094 0.1392 0.3216 0.3264 0.6104 0.6141 1.1173 1.1210 1.1256 1.1332 1.8614 1.8646 2.6515 2.6636 7.5086 7.5182 8.1677 8.1735 9.0370 9.0435 9.5468 9.5806 10.0523 10.0760 k = 0.2059-0.4332-0.0000 ( 18349 PWs) bands (ev): -40.1903 -40.1903 -19.0338 -19.0337 -17.1507 -17.1506 -17.0420 -17.0420 -15.9732 -15.9729 -15.7102 -15.7096 -15.5209 -15.5204 -6.6000 -6.5896 -6.1883 -6.1834 -5.8926 -5.8858 -4.7907 -4.7055 -3.7012 -3.4900 -3.3749 -3.3575 -3.1341 -3.0967 -2.7274 -2.6649 -2.6319 -2.5765 -1.1226 -1.1067 -0.8791 -0.8748 -0.1052 -0.0791 0.1141 0.1442 0.3258 0.3310 0.6115 0.6161 1.1141 1.1180 1.1257 1.1326 1.8622 1.8649 2.6461 2.6578 7.5162 7.5265 8.1704 8.1763 8.9910 8.9973 9.5202 9.5534 10.0447 10.0679 k = 0.1970-0.4144-0.0000 ( 18359 PWs) bands (ev): -40.1903 -40.1903 -19.0346 -19.0346 -17.1495 -17.1494 -17.0418 -17.0417 -15.9700 -15.9697 -15.7126 -15.7120 -15.5220 -15.5214 -6.5966 -6.5867 -6.1886 -6.1831 -5.8985 -5.8918 -4.7959 -4.7062 -3.7077 -3.4919 -3.3746 -3.3590 -3.1355 -3.0960 -2.7206 -2.6632 -2.6344 -2.5744 -1.1227 -1.1066 -0.8805 -0.8756 -0.0960 -0.0655 0.1199 0.1505 0.3302 0.3357 0.6124 0.6179 1.1105 1.1145 1.1256 1.1318 1.8641 1.8663 2.6397 2.6510 7.5250 7.5360 8.1726 8.1786 8.9428 8.9490 9.4944 9.5269 10.0347 10.0576 k = 0.1880-0.3955-0.0000 ( 18355 PWs) bands (ev): -40.1903 -40.1903 -19.0355 -19.0355 -17.1481 -17.1481 -17.0416 -17.0415 -15.9669 -15.9666 -15.7147 -15.7141 -15.5231 -15.5226 -6.5929 -6.5836 -6.1889 -6.1827 -5.9050 -5.8983 -4.8013 -4.7073 -3.7141 -3.4939 -3.3757 -3.3596 -3.1363 -3.0952 -2.7141 -2.6624 -2.6368 -2.5719 -1.1224 -1.1063 -0.8820 -0.8762 -0.0872 -0.0523 0.1266 0.1581 0.3348 0.3406 0.6132 0.6195 1.1064 1.1106 1.1252 1.1308 1.8671 1.8690 2.6325 2.6434 7.5345 7.5462 8.1749 8.1810 8.8932 8.8992 9.4695 9.5012 10.0226 10.0453 k = 0.1791-0.3767-0.0000 ( 18355 PWs) bands (ev): -40.1903 -40.1903 -19.0365 -19.0364 -17.1466 -17.1465 -17.0414 -17.0414 -15.9639 -15.9636 -15.7166 -15.7160 -15.5244 -15.5239 -6.5890 -6.5801 -6.1892 -6.1823 -5.9119 -5.9053 -4.8067 -4.7088 -3.7204 -3.4959 -3.3783 -3.3595 -3.1365 -3.0941 -2.7078 -2.6623 -2.6392 -2.5688 -1.1217 -1.1057 -0.8836 -0.8766 -0.0790 -0.0396 0.1341 0.1667 0.3396 0.3457 0.6138 0.6209 1.1022 1.1065 1.1246 1.1295 1.8714 1.8728 2.6245 2.6350 7.5439 7.5563 8.1777 8.1841 8.8430 8.8487 9.4456 9.4764 10.0084 10.0309 k = 0.1701-0.3579-0.0000 ( 18363 PWs) bands (ev): -40.1903 -40.1903 -19.0375 -19.0374 -17.1450 -17.1449 -17.0414 -17.0413 -15.9610 -15.9608 -15.7182 -15.7177 -15.5259 -15.5253 -6.5848 -6.5763 -6.1894 -6.1818 -5.9191 -5.9128 -4.8120 -4.7106 -3.7264 -3.4979 -3.3819 -3.3592 -3.1362 -3.0930 -2.7016 -2.6627 -2.6414 -2.5654 -1.1208 -1.1050 -0.8853 -0.8768 -0.0712 -0.0273 0.1422 0.1762 0.3444 0.3510 0.6142 0.6219 1.0980 1.1024 1.1238 1.1279 1.8767 1.8778 2.6157 2.6258 7.5526 7.5656 8.1816 8.1884 8.7930 8.7984 9.4225 9.4523 9.9925 10.0148 k = 0.1612-0.3390-0.0000 ( 18375 PWs) bands (ev): -40.1903 -40.1903 -19.0385 -19.0385 -17.1432 -17.1431 -17.0413 -17.0413 -15.9582 -15.9580 -15.7196 -15.7191 -15.5274 -15.5269 -6.5805 -6.5723 -6.1895 -6.1814 -5.9267 -5.9206 -4.8172 -4.7130 -3.7319 -3.4999 -3.3863 -3.3591 -3.1354 -3.0918 -2.6958 -2.6635 -2.6431 -2.5616 -1.1195 -1.1041 -0.8872 -0.8770 -0.0638 -0.0157 0.1509 0.1863 0.3494 0.3563 0.6144 0.6227 1.0938 1.0985 1.1228 1.1261 1.8831 1.8838 2.6063 2.6159 7.5600 7.5735 8.1872 8.1943 8.7442 8.7492 9.4000 9.4289 9.9751 9.9970 k = 0.1522-0.3202-0.0000 ( 18377 PWs) bands (ev): -40.1903 -40.1903 -19.0396 -19.0395 -17.1414 -17.1413 -17.0413 -17.0413 -15.9556 -15.9554 -15.7208 -15.7202 -15.5290 -15.5285 -6.5760 -6.5680 -6.1895 -6.1810 -5.9344 -5.9288 -4.8222 -4.7159 -3.7370 -3.5020 -3.3917 -3.3592 -3.1341 -3.0907 -2.6906 -2.6645 -2.6441 -2.5575 -1.1180 -1.1031 -0.8890 -0.8771 -0.0568 -0.0046 0.1598 0.1967 0.3545 0.3618 0.6144 0.6231 1.0899 1.0949 1.1216 1.1240 1.8904 1.8908 2.5964 2.6055 7.5655 7.5794 8.1946 8.2021 8.6973 8.7020 9.3779 9.4058 9.9565 9.9779 k = 0.1433-0.3014-0.0000 ( 18367 PWs) bands (ev): -40.1903 -40.1903 -19.0407 -19.0406 -17.1394 -17.1393 -17.0414 -17.0414 -15.9531 -15.9530 -15.7217 -15.7212 -15.5307 -15.5302 -6.5713 -6.5636 -6.1895 -6.1806 -5.9423 -5.9371 -4.8268 -4.7193 -3.7415 -3.5042 -3.3977 -3.3596 -3.1323 -3.0896 -2.6864 -2.6656 -2.6437 -2.5532 -1.1164 -1.1021 -0.8909 -0.8773 -0.0499 0.0059 0.1689 0.2073 0.3596 0.3673 0.6142 0.6231 1.0864 1.0917 1.1202 1.1217 1.8986 1.8987 2.5859 2.5946 7.5686 7.5826 8.2038 8.2117 8.6536 8.6579 9.3560 9.3830 9.9368 9.9576 k = 0.1343-0.2825-0.0000 ( 18359 PWs) bands (ev): -40.1903 -40.1903 -19.0417 -19.0417 -17.1375 -17.1374 -17.0415 -17.0415 -15.9508 -15.9506 -15.7224 -15.7219 -15.5324 -15.5319 -6.5666 -6.5590 -6.1894 -6.1803 -5.9503 -5.9455 -4.8311 -4.7232 -3.7452 -3.5068 -3.4043 -3.3604 -3.1302 -3.0885 -2.6836 -2.6669 -2.6416 -2.5488 -1.1145 -1.1009 -0.8928 -0.8774 -0.0433 0.0157 0.1778 0.2177 0.3647 0.3728 0.6137 0.6227 1.0835 1.0891 1.1186 1.1192 1.9074 1.9075 2.5751 2.5832 7.5690 7.5830 8.2144 8.2227 8.6141 8.6182 9.3341 9.3602 9.9163 9.9365 k = 0.1254-0.2637-0.0000 ( 18357 PWs) bands (ev): -40.1903 -40.1903 -19.0428 -19.0428 -17.1355 -17.1354 -17.0416 -17.0416 -15.9486 -15.9485 -15.7229 -15.7224 -15.5342 -15.5337 -6.5618 -6.5544 -6.1892 -6.1800 -5.9582 -5.9540 -4.8348 -4.7277 -3.7481 -3.5099 -3.4112 -3.3617 -3.1277 -3.0875 -2.6823 -2.6682 -2.6374 -2.5443 -1.1126 -1.0998 -0.8946 -0.8777 -0.0367 0.0249 0.1863 0.2276 0.3699 0.3782 0.6129 0.6219 1.0811 1.0873 1.1163 1.1173 1.9167 1.9170 2.5640 2.5716 7.5667 7.5803 8.2253 8.2339 8.5804 8.5845 9.3121 9.3373 9.8955 9.9149 k = 0.1164-0.2449-0.0000 ( 18359 PWs) bands (ev): -40.1903 -40.1903 -19.0439 -19.0439 -17.1335 -17.1334 -17.0418 -17.0417 -15.9466 -15.9465 -15.7232 -15.7228 -15.5360 -15.5355 -6.5569 -6.5497 -6.1890 -6.1798 -5.9661 -5.9625 -4.8381 -4.7327 -3.7500 -3.5140 -3.4180 -3.3634 -3.1248 -3.0866 -2.6822 -2.6698 -2.6314 -2.5399 -1.1106 -1.0986 -0.8963 -0.8782 -0.0301 0.0334 0.1944 0.2369 0.3750 0.3836 0.6118 0.6207 1.0794 1.0862 1.1135 1.1157 1.9264 1.9269 2.5528 2.5599 7.5617 7.5748 8.2349 8.2438 8.5542 8.5588 9.2896 9.3140 9.8745 9.8930 k = 0.1075-0.2260-0.0000 ( 18357 PWs) bands (ev): -40.1903 -40.1903 -19.0449 -19.0449 -17.1316 -17.1315 -17.0419 -17.0419 -15.9448 -15.9447 -15.7233 -15.7230 -15.5377 -15.5373 -6.5521 -6.5451 -6.1887 -6.1797 -5.9738 -5.9707 -4.8407 -4.7382 -3.7508 -3.5193 -3.4243 -3.3655 -3.1218 -3.0857 -2.6827 -2.6715 -2.6242 -2.5356 -1.1086 -1.0974 -0.8979 -0.8788 -0.0235 0.0413 0.2019 0.2453 0.3801 0.3888 0.6105 0.6191 1.0784 1.0860 1.1106 1.1142 1.9365 1.9371 2.5416 2.5482 7.5543 7.5667 8.2411 8.2500 8.5377 8.5432 9.2667 9.2902 9.8536 9.8713 k = 0.0985-0.2072-0.0000 ( 18349 PWs) bands (ev): -40.1903 -40.1903 -19.0459 -19.0459 -17.1297 -17.1296 -17.0421 -17.0420 -15.9431 -15.9431 -15.7234 -15.7230 -15.5394 -15.5390 -6.5474 -6.5405 -6.1884 -6.1796 -5.9813 -5.9788 -4.8427 -4.7441 -3.7506 -3.5261 -3.4295 -3.3681 -3.1186 -3.0848 -2.6836 -2.6732 -2.6161 -2.5317 -1.1065 -1.0962 -0.8993 -0.8796 -0.0167 0.0484 0.2087 0.2526 0.3851 0.3940 0.6090 0.6171 1.0779 1.0867 1.1077 1.1129 1.9467 1.9474 2.5305 2.5365 7.5449 7.5565 8.2420 8.2508 8.5325 8.5391 9.2432 9.2658 9.8332 9.8499 k = 0.0895-0.1884-0.0000 ( 18333 PWs) bands (ev): -40.1903 -40.1903 -19.0469 -19.0469 -17.1279 -17.1278 -17.0422 -17.0422 -15.9416 -15.9416 -15.7233 -15.7230 -15.5411 -15.5407 -6.5427 -6.5361 -6.1880 -6.1796 -5.9885 -5.9865 -4.8440 -4.7504 -3.7492 -3.5348 -3.4334 -3.3712 -3.1152 -3.0841 -2.6845 -2.6750 -2.6075 -2.5282 -1.1045 -1.0950 -0.9006 -0.8806 -0.0099 0.0547 0.2147 0.2588 0.3901 0.3989 0.6073 0.6149 1.0780 1.0881 1.1048 1.1120 1.9569 1.9576 2.5197 2.5251 7.5340 7.5448 8.2373 8.2456 8.5390 8.5466 9.2189 9.2406 9.8136 9.8293 k = 0.0806-0.1695-0.0000 ( 18347 PWs) bands (ev): -40.1903 -40.1903 -19.0478 -19.0478 -17.1262 -17.1261 -17.0424 -17.0424 -15.9403 -15.9402 -15.7231 -15.7228 -15.5426 -15.5423 -6.5382 -6.5319 -6.1876 -6.1796 -5.9954 -5.9938 -4.8446 -4.7570 -3.7466 -3.5452 -3.4358 -3.3746 -3.1118 -3.0835 -2.6854 -2.6766 -2.5987 -2.5251 -1.1025 -1.0939 -0.9016 -0.8818 -0.0029 0.0602 0.2201 0.2636 0.3950 0.4036 0.6053 0.6124 1.0784 1.0900 1.1021 1.1114 1.9668 1.9675 2.5093 2.5142 7.5223 7.5320 8.2280 8.2354 8.5555 8.5640 9.1938 9.2147 9.7951 9.8096 k = 0.0716-0.1507-0.0000 ( 18361 PWs) bands (ev): -40.1903 -40.1903 -19.0486 -19.0486 -17.1246 -17.1246 -17.0425 -17.0425 -15.9391 -15.9391 -15.7229 -15.7226 -15.5441 -15.5438 -6.5339 -6.5280 -6.1872 -6.1797 -6.0017 -6.0006 -4.8445 -4.7639 -3.7427 -3.5571 -3.4369 -3.3784 -3.1084 -3.0830 -2.6863 -2.6782 -2.5899 -2.5227 -1.1006 -1.0929 -0.9024 -0.8832 0.0042 0.0646 0.2248 0.2670 0.3998 0.4081 0.6033 0.6097 1.0789 1.0922 1.0999 1.1113 1.9763 1.9770 2.4994 2.5038 7.5101 7.5187 8.2159 8.2224 8.5797 8.5887 9.1679 9.1880 9.7779 9.7911 k = 0.0627-0.1318-0.0000 ( 18371 PWs) bands (ev): -40.1903 -40.1903 -19.0493 -19.0493 -17.1232 -17.1231 -17.0426 -17.0426 -15.9381 -15.9380 -15.7226 -15.7224 -15.5454 -15.5451 -6.5299 -6.5244 -6.1867 -6.1799 -6.0076 -6.0068 -4.8437 -4.7710 -3.7377 -3.5703 -3.4366 -3.3826 -3.1051 -3.0827 -2.6869 -2.6796 -2.5812 -2.5210 -1.0987 -1.0920 -0.9028 -0.8848 0.0113 0.0680 0.2291 0.2691 0.4045 0.4122 0.6013 0.6070 1.0795 1.0933 1.0994 1.1117 1.9852 1.9859 2.4903 2.4941 7.4981 7.5056 8.2028 8.2084 8.6090 8.6185 9.1413 9.1604 9.7622 9.7741 k = 0.0537-0.1130-0.0000 ( 18391 PWs) bands (ev): -40.1903 -40.1903 -19.0500 -19.0500 -17.1219 -17.1219 -17.0428 -17.0427 -15.9372 -15.9371 -15.7223 -15.7221 -15.5466 -15.5464 -6.5262 -6.5213 -6.1861 -6.1802 -6.0129 -6.0124 -4.8421 -4.7781 -3.7313 -3.5842 -3.4354 -3.3869 -3.1019 -3.0826 -2.6874 -2.6810 -2.5726 -2.5200 -1.0970 -1.0912 -0.9030 -0.8866 0.0186 0.0703 0.2330 0.2699 0.4090 0.4160 0.5993 0.6042 1.0800 1.0921 1.1015 1.1125 1.9933 1.9940 2.4820 2.4853 7.4867 7.4931 8.1900 8.1947 8.6414 8.6514 9.1140 9.1321 9.7483 9.7587 k = 0.0448-0.0942-0.0000 ( 18403 PWs) bands (ev): -40.1903 -40.1903 -19.0506 -19.0506 -17.1208 -17.1208 -17.0429 -17.0428 -15.9364 -15.9364 -15.7220 -15.7219 -15.5476 -15.5474 -6.5228 -6.5186 -6.1856 -6.1805 -6.0175 -6.0172 -4.8398 -4.7853 -3.7238 -3.5988 -3.4333 -3.3915 -3.0989 -3.0827 -2.6877 -2.6822 -2.5645 -2.5198 -1.0955 -1.0906 -0.9029 -0.8885 0.0258 0.0713 0.2367 0.2696 0.4132 0.4193 0.5974 0.6016 1.0804 1.0902 1.1046 1.1136 2.0005 2.0011 2.4748 2.4775 7.4763 7.4817 8.1784 8.1822 8.6755 8.6856 9.0863 9.1033 9.7364 9.7453 k = 0.0358-0.0753-0.0000 ( 18401 PWs) bands (ev): -40.1903 -40.1903 -19.0511 -19.0511 -17.1199 -17.1198 -17.0429 -17.0429 -15.9358 -15.9358 -15.7218 -15.7216 -15.5485 -15.5483 -6.5199 -6.5164 -6.1850 -6.1809 -6.0213 -6.0213 -4.8367 -4.7924 -3.7151 -3.6135 -3.4305 -3.3962 -3.0961 -3.0831 -2.6878 -2.6833 -2.5568 -2.5205 -1.0940 -1.0902 -0.9024 -0.8904 0.0330 0.0710 0.2404 0.2681 0.4171 0.4221 0.5957 0.5992 1.0807 1.0883 1.1077 1.1147 2.0067 2.0072 2.4687 2.4708 7.4674 7.4717 8.1685 8.1714 8.7096 8.7198 9.0588 9.0744 9.7266 9.7338 k = 0.0269-0.0565-0.0000 ( 18395 PWs) bands (ev): -40.1903 -40.1903 -19.0514 -19.0514 -17.1192 -17.1191 -17.0430 -17.0430 -15.9354 -15.9354 -15.7215 -15.7214 -15.5492 -15.5491 -6.5175 -6.5148 -6.1845 -6.1813 -6.0244 -6.0244 -4.8330 -4.7993 -3.7053 -3.6282 -3.4272 -3.4010 -3.0935 -3.0837 -2.6877 -2.6843 -2.5496 -2.5221 -1.0928 -1.0899 -0.9017 -0.8924 0.0399 0.0695 0.2442 0.2659 0.4203 0.4243 0.5944 0.5970 1.0811 1.0866 1.1106 1.1158 2.0116 2.0120 2.4639 2.4655 7.4602 7.4634 8.1606 8.1627 8.7424 8.7520 9.0325 9.0463 9.7191 9.7246 k = 0.0179-0.0377-0.0000 ( 18401 PWs) bands (ev): -40.1903 -40.1903 -19.0517 -19.0517 -17.1186 -17.1186 -17.0430 -17.0430 -15.9350 -15.9350 -15.7214 -15.7213 -15.5497 -15.5496 -6.5156 -6.5137 -6.1839 -6.1818 -6.0267 -6.0267 -4.8287 -4.8060 -3.6945 -3.6426 -3.4234 -3.4057 -3.0911 -3.0846 -2.6875 -2.6852 -2.5431 -2.5246 -1.0918 -1.0899 -0.9006 -0.8943 0.0465 0.0668 0.2480 0.2629 0.4230 0.4257 0.5935 0.5953 1.0815 1.0851 1.1131 1.1164 2.0152 2.0154 2.4604 2.4615 7.4551 7.4572 8.1549 8.1563 8.7716 8.7798 9.0095 9.0204 9.7139 9.7176 k = 0.0090-0.0188-0.0000 ( 18399 PWs) bands (ev): -40.1903 -40.1903 -19.0519 -19.0519 -17.1183 -17.1183 -17.0431 -17.0431 -15.9348 -15.9348 -15.7213 -15.7212 -15.5500 -15.5499 -6.5142 -6.5133 -6.1833 -6.1823 -6.0281 -6.0281 -4.8237 -4.8123 -3.6827 -3.6566 -3.4193 -3.4104 -3.0891 -3.0858 -2.6871 -2.6859 -2.5372 -2.5279 -1.0910 -1.0900 -0.8994 -0.8961 0.0527 0.0630 0.2519 0.2595 0.4249 0.4263 0.5931 0.5940 1.0820 1.0838 1.1149 1.1166 2.0174 2.0175 2.4584 2.4589 7.4522 7.4532 8.1516 8.1523 8.7939 8.7990 8.9936 9.0000 9.7111 9.7130 k = 0.0000 0.0000 0.0000 ( 18399 PWs) bands (ev): -40.1903 -40.1903 -19.0519 -19.0519 -17.1182 -17.1182 -17.0431 -17.0431 -15.9348 -15.9348 -15.7212 -15.7212 -15.5500 -15.5500 -6.5135 -6.5135 -6.1828 -6.1828 -6.0285 -6.0285 -4.8183 -4.8183 -3.6700 -3.6700 -3.4150 -3.4150 -3.0873 -3.0873 -2.6866 -2.6866 -2.5322 -2.5322 -1.0904 -1.0904 -0.8978 -0.8978 0.0582 0.0582 0.2558 0.2558 0.4260 0.4260 0.5933 0.5933 1.0828 1.0828 1.1161 1.1161 2.0182 2.0182 2.4579 2.4579 7.4515 7.4515 8.1508 8.1508 8.8043 8.8043 8.9898 8.9898 9.7108 9.7108 k = 0.0000 0.0000 0.0000 ( 18399 PWs) bands (ev): -40.1903 -40.1903 -19.0519 -19.0519 -17.1182 -17.1182 -17.0431 -17.0431 -15.9348 -15.9348 -15.7212 -15.7212 -15.5500 -15.5500 -6.5135 -6.5135 -6.1828 -6.1828 -6.0285 -6.0285 -4.8183 -4.8183 -3.6700 -3.6700 -3.4150 -3.4150 -3.0873 -3.0873 -2.6866 -2.6866 -2.5322 -2.5322 -1.0904 -1.0904 -0.8978 -0.8978 0.0582 0.0582 0.2558 0.2558 0.4260 0.4260 0.5933 0.5933 1.0828 1.0828 1.1161 1.1161 2.0182 2.0182 2.4579 2.4579 7.4515 7.4515 8.1508 8.1508 8.8043 8.8043 8.9898 8.9898 9.7108 9.7108 k = 0.0156-0.0127-0.0030 ( 18396 PWs) bands (ev): -40.1903 -40.1903 -19.0519 -19.0519 -17.1183 -17.1183 -17.0431 -17.0431 -15.9349 -15.9349 -15.7212 -15.7211 -15.5500 -15.5499 -6.5141 -6.5133 -6.1832 -6.1823 -6.0282 -6.0282 -4.8231 -4.8130 -3.6810 -3.6583 -3.4188 -3.4109 -3.0895 -3.0855 -2.6873 -2.6858 -2.5367 -2.5286 -1.0909 -1.0900 -0.8992 -0.8963 0.0534 0.0624 0.2522 0.2589 0.4250 0.4263 0.5931 0.5938 1.0820 1.0836 1.1151 1.1166 2.0177 2.0178 2.4583 2.4588 7.4518 7.4528 8.1519 8.1526 8.7960 8.8005 8.9921 8.9978 9.7115 9.7131 k = 0.0312-0.0254-0.0060 ( 18399 PWs) bands (ev): -40.1903 -40.1903 -19.0517 -19.0517 -17.1186 -17.1185 -17.0431 -17.0431 -15.9353 -15.9353 -15.7210 -15.7209 -15.5498 -15.5497 -6.5153 -6.5136 -6.1836 -6.1818 -6.0272 -6.0272 -4.8274 -4.8073 -3.6911 -3.6458 -3.4224 -3.4068 -3.0920 -3.0839 -2.6878 -2.6848 -2.5419 -2.5258 -1.0914 -1.0897 -0.9006 -0.8948 0.0481 0.0659 0.2483 0.2615 0.4233 0.4259 0.5931 0.5946 1.0813 1.0845 1.1136 1.1166 2.0162 2.0164 2.4601 2.4611 7.4538 7.4557 8.1561 8.1573 8.7780 8.7856 9.0037 9.0137 9.7149 9.7182 k = 0.0469-0.0382-0.0091 ( 18387 PWs) bands (ev): -40.1903 -40.1903 -19.0515 -19.0515 -17.1190 -17.1190 -17.0431 -17.0431 -15.9360 -15.9360 -15.7206 -15.7205 -15.5494 -15.5493 -6.5170 -6.5145 -6.1839 -6.1812 -6.0254 -6.0254 -4.8311 -4.8013 -3.7002 -3.6327 -3.4257 -3.4025 -3.0949 -3.0827 -2.6882 -2.6838 -2.5480 -2.5240 -1.0920 -1.0894 -0.9018 -0.8933 0.0424 0.0685 0.2442 0.2634 0.4210 0.4248 0.5933 0.5955 1.0805 1.0853 1.1117 1.1162 2.0137 2.0141 2.4631 2.4646 7.4572 7.4602 8.1632 8.1650 8.7535 8.7628 9.0215 9.0343 9.7212 9.7260 k = 0.0625-0.0509-0.0121 ( 18389 PWs) bands (ev): -40.1903 -40.1903 -19.0511 -19.0511 -17.1196 -17.1196 -17.0431 -17.0431 -15.9370 -15.9370 -15.7201 -15.7200 -15.5489 -15.5487 -6.5191 -6.5158 -6.1841 -6.1806 -6.0231 -6.0230 -4.8343 -4.7950 -3.7083 -3.6193 -3.4286 -3.3982 -3.0981 -3.0816 -2.6884 -2.6826 -2.5548 -2.5231 -1.0927 -1.0892 -0.9028 -0.8919 0.0364 0.0702 0.2399 0.2646 0.4182 0.4232 0.5936 0.5966 1.0797 1.0862 1.1095 1.1155 2.0104 2.0109 2.4674 2.4693 7.4621 7.4661 8.1731 8.1755 8.7252 8.7352 9.0428 9.0574 9.7302 9.7364 k = 0.0781-0.0636-0.0151 ( 18389 PWs) bands (ev): -40.1903 -40.1903 -19.0507 -19.0507 -17.1204 -17.1203 -17.0432 -17.0432 -15.9382 -15.9382 -15.7195 -15.7193 -15.5482 -15.5480 -6.5217 -6.5177 -6.1843 -6.1799 -6.0200 -6.0199 -4.8368 -4.7884 -3.7153 -3.6056 -3.4311 -3.3939 -3.1017 -3.0807 -2.6884 -2.6813 -2.5622 -2.5231 -1.0934 -1.0891 -0.9037 -0.8905 0.0300 0.0708 0.2355 0.2650 0.4151 0.4211 0.5939 0.5976 1.0788 1.0871 1.1071 1.1148 2.0063 2.0069 2.4728 2.4752 7.4683 7.4732 8.1858 8.1888 8.6946 8.7048 9.0658 9.0817 9.7416 9.7493 k = 0.0938-0.0763-0.0181 ( 18380 PWs) bands (ev): -40.1903 -40.1903 -19.0502 -19.0502 -17.1213 -17.1212 -17.0432 -17.0432 -15.9397 -15.9396 -15.7188 -15.7186 -15.5474 -15.5472 -6.5246 -6.5200 -6.1844 -6.1793 -6.0164 -6.0162 -4.8388 -4.7817 -3.7213 -3.5918 -3.4330 -3.3896 -3.1056 -3.0799 -2.6883 -2.6799 -2.5702 -2.5241 -1.0941 -1.0890 -0.9044 -0.8893 0.0235 0.0703 0.2310 0.2644 0.4116 0.4186 0.5940 0.5985 1.0778 1.0877 1.1050 1.1141 2.0014 2.0021 2.4792 2.4821 7.4756 7.4814 8.2009 8.2046 8.6630 8.6730 9.0898 9.1066 9.7554 9.7644 k = 0.1094-0.0890-0.0212 ( 18378 PWs) bands (ev): -40.1903 -40.1903 -19.0496 -19.0495 -17.1223 -17.1223 -17.0432 -17.0432 -15.9414 -15.9413 -15.7179 -15.7177 -15.5465 -15.5463 -6.5278 -6.5227 -6.1845 -6.1788 -6.0122 -6.0117 -4.8401 -4.7750 -3.7261 -3.5783 -3.4344 -3.3855 -3.1098 -3.0791 -2.6879 -2.6783 -2.5787 -2.5260 -1.0949 -1.0890 -0.9049 -0.8882 0.0167 0.0685 0.2266 0.2628 0.4080 0.4158 0.5940 0.5992 1.0768 1.0879 1.1033 1.1137 1.9958 1.9966 2.4866 2.4898 7.4838 7.4905 8.2183 8.2226 8.6313 8.6410 9.1143 9.1319 9.7712 9.7815 k = 0.1250-0.1018-0.0242 ( 18382 PWs) bands (ev): -40.1903 -40.1903 -19.0489 -19.0489 -17.1235 -17.1234 -17.0433 -17.0433 -15.9433 -15.9432 -15.7170 -15.7167 -15.5454 -15.5452 -6.5314 -6.5259 -6.1846 -6.1783 -6.0074 -6.0067 -4.8408 -4.7682 -3.7297 -3.5653 -3.4350 -3.3814 -3.1142 -3.0782 -2.6873 -2.6767 -2.5877 -2.5287 -1.0957 -1.0891 -0.9052 -0.8873 0.0098 0.0654 0.2221 0.2602 0.4044 0.4128 0.5937 0.5996 1.0757 1.0876 1.1025 1.1135 1.9896 1.9906 2.4948 2.4983 7.4926 7.5001 8.2374 8.2422 8.6005 8.6098 9.1392 9.1573 9.7888 9.8002 k = 0.1406-0.1145-0.0272 ( 18370 PWs) bands (ev): -40.1903 -40.1903 -19.0481 -19.0481 -17.1248 -17.1248 -17.0433 -17.0433 -15.9453 -15.9452 -15.7159 -15.7157 -15.5443 -15.5440 -6.5352 -6.5294 -6.1847 -6.1778 -6.0021 -6.0011 -4.8409 -4.7615 -3.7322 -3.5531 -3.4349 -3.3775 -3.1187 -3.0772 -2.6866 -2.6749 -2.5970 -2.5323 -1.0965 -1.0892 -0.9052 -0.8865 0.0027 0.0610 0.2175 0.2566 0.4007 0.4097 0.5931 0.5998 1.0746 1.0866 1.1027 1.1138 1.9830 1.9841 2.5037 2.5075 7.5017 7.5101 8.2573 8.2628 8.5719 8.5806 9.1644 9.1830 9.8079 9.8202 k = 0.1562-0.1272-0.0302 ( 18355 PWs) bands (ev): -40.1903 -40.1903 -19.0473 -19.0473 -17.1263 -17.1262 -17.0433 -17.0433 -15.9475 -15.9474 -15.7148 -15.7146 -15.5430 -15.5427 -6.5392 -6.5332 -6.1847 -6.1774 -5.9963 -5.9950 -4.8403 -4.7550 -3.7336 -3.5420 -3.4340 -3.3737 -3.1233 -3.0759 -2.6856 -2.6731 -2.6066 -2.5367 -1.0973 -1.0894 -0.9050 -0.8859 -0.0046 0.0553 0.2129 0.2518 0.3970 0.4064 0.5923 0.5996 1.0737 1.0853 1.1038 1.1144 1.9760 1.9772 2.5131 2.5171 7.5108 7.5199 8.2767 8.2827 8.5473 8.5554 9.1899 9.2090 9.8280 9.8412 k = 0.1719-0.1399-0.0332 ( 18356 PWs) bands (ev): -40.1903 -40.1903 -19.0464 -19.0464 -17.1278 -17.1277 -17.0434 -17.0434 -15.9499 -15.9498 -15.7137 -15.7134 -15.5416 -15.5413 -6.5434 -6.5372 -6.1848 -6.1771 -5.9901 -5.9884 -4.8392 -4.7487 -3.7339 -3.5322 -3.4324 -3.3701 -3.1277 -3.0742 -2.6846 -2.6712 -2.6161 -2.5418 -1.0983 -1.0898 -0.9045 -0.8853 -0.0120 0.0484 0.2082 0.2461 0.3933 0.4030 0.5911 0.5992 1.0731 1.0840 1.1054 1.1153 1.9687 1.9700 2.5229 2.5272 7.5196 7.5293 8.2933 8.2998 8.5295 8.5365 9.2159 9.2353 9.8488 9.8628 k = 0.1875-0.1526-0.0363 ( 18356 PWs) bands (ev): -40.1903 -40.1903 -19.0455 -19.0454 -17.1294 -17.1293 -17.0434 -17.0434 -15.9524 -15.9522 -15.7125 -15.7122 -15.5402 -15.5399 -6.5477 -6.5415 -6.1849 -6.1769 -5.9835 -5.9814 -4.8374 -4.7427 -3.7331 -3.5239 -3.4302 -3.3665 -3.1320 -3.0722 -2.6836 -2.6694 -2.6255 -2.5475 -1.0993 -1.0903 -0.9037 -0.8848 -0.0196 0.0403 0.2034 0.2395 0.3897 0.3995 0.5897 0.5986 1.0728 1.0830 1.1074 1.1167 1.9612 1.9626 2.5330 2.5374 7.5276 7.5380 8.3041 8.3108 8.5218 8.5275 9.2424 9.2621 9.8699 9.8845 k = 0.2031-0.1654-0.0393 ( 18366 PWs) bands (ev): -40.1903 -40.1903 -19.0445 -19.0445 -17.1311 -17.1310 -17.0435 -17.0434 -15.9549 -15.9548 -15.7112 -15.7110 -15.5387 -15.5384 -6.5520 -6.5459 -6.1850 -6.1768 -5.9765 -5.9740 -4.8351 -4.7371 -3.7312 -3.5172 -3.4278 -3.3630 -3.1358 -3.0697 -2.6827 -2.6678 -2.6343 -2.5537 -1.1004 -1.0909 -0.9026 -0.8843 -0.0275 0.0312 0.1984 0.2320 0.3860 0.3959 0.5883 0.5978 1.0729 1.0824 1.1096 1.1183 1.9537 1.9552 2.5433 2.5478 7.5347 7.5454 8.3066 8.3131 8.5271 8.5312 9.2695 9.2894 9.8907 9.9058 k = 0.2188-0.1781-0.0423 ( 18373 PWs) bands (ev): -40.1903 -40.1903 -19.0435 -19.0435 -17.1328 -17.1327 -17.0435 -17.0435 -15.9575 -15.9574 -15.7100 -15.7097 -15.5372 -15.5368 -6.5565 -6.5504 -6.1851 -6.1768 -5.9693 -5.9664 -4.8323 -4.7319 -3.7283 -3.5118 -3.4255 -3.3596 -3.1389 -3.0667 -2.6824 -2.6670 -2.6416 -2.5603 -1.1018 -1.0919 -0.9012 -0.8838 -0.0355 0.0212 0.1931 0.2238 0.3823 0.3922 0.5867 0.5968 1.0734 1.0823 1.1120 1.1201 1.9461 1.9477 2.5537 2.5583 7.5403 7.5513 8.3009 8.3071 8.5453 8.5477 9.2971 9.3172 9.9110 9.9264 k = 0.2344-0.1908-0.0453 ( 18361 PWs) bands (ev): -40.1903 -40.1903 -19.0425 -19.0424 -17.1345 -17.1344 -17.0435 -17.0435 -15.9602 -15.9600 -15.7087 -15.7085 -15.5356 -15.5353 -6.5609 -6.5550 -6.1852 -6.1769 -5.9619 -5.9585 -4.8290 -4.7272 -3.7244 -3.5075 -3.4239 -3.3563 -3.1413 -3.0632 -2.6832 -2.6674 -2.6462 -2.5671 -1.1033 -1.0931 -0.8994 -0.8831 -0.0438 0.0104 0.1877 0.2151 0.3787 0.3883 0.5852 0.5958 1.0744 1.0826 1.1145 1.1221 1.9387 1.9404 2.5641 2.5686 7.5442 7.5554 8.2898 8.2957 8.5733 8.5746 9.3253 9.3456 9.9301 9.9457 k = 0.2500-0.2035-0.0484 ( 18353 PWs) bands (ev): -40.1903 -40.1903 -19.0414 -19.0414 -17.1363 -17.1362 -17.0435 -17.0435 -15.9628 -15.9627 -15.7075 -15.7072 -15.5340 -15.5337 -6.5652 -6.5596 -6.1853 -6.1771 -5.9543 -5.9505 -4.8253 -4.7231 -3.7195 -3.5043 -3.4231 -3.3535 -3.1426 -3.0593 -2.6863 -2.6686 -2.6475 -2.5741 -1.1050 -1.0946 -0.8972 -0.8821 -0.0524 -0.0010 0.1820 0.2060 0.3750 0.3843 0.5838 0.5948 1.0758 1.0834 1.1171 1.1243 1.9315 1.9333 2.5743 2.5788 7.5461 7.5573 8.2765 8.2820 8.6080 8.6090 9.3541 9.3746 9.9478 9.9633 k = 0.2656-0.2162-0.0514 ( 18354 PWs) bands (ev): -40.1903 -40.1903 -19.0404 -19.0404 -17.1381 -17.1380 -17.0436 -17.0435 -15.9654 -15.9653 -15.7063 -15.7060 -15.5324 -15.5321 -6.5695 -6.5641 -6.1855 -6.1773 -5.9467 -5.9425 -4.8211 -4.7194 -3.7139 -3.5018 -3.4233 -3.3513 -3.1427 -3.0551 -2.6919 -2.6694 -2.6465 -2.5809 -1.1069 -1.0964 -0.8947 -0.8809 -0.0612 -0.0130 0.1762 0.1966 0.3713 0.3803 0.5825 0.5937 1.0777 1.0847 1.1197 1.1265 1.9246 1.9264 2.5843 2.5887 7.5458 7.5569 8.2631 8.2683 8.6472 8.6487 9.3834 9.4039 9.9638 9.9789 k = 0.2812-0.2290-0.0544 ( 18347 PWs) bands (ev): -40.1903 -40.1903 -19.0393 -19.0393 -17.1399 -17.1398 -17.0436 -17.0436 -15.9680 -15.9679 -15.7051 -15.7048 -15.5308 -15.5305 -6.5737 -6.5686 -6.1856 -6.1776 -5.9390 -5.9346 -4.8165 -4.7164 -3.7074 -3.5000 -3.4244 -3.3499 -3.1416 -3.0506 -2.6989 -2.6696 -2.6443 -2.5875 -1.1090 -1.0986 -0.8919 -0.8794 -0.0702 -0.0253 0.1702 0.1872 0.3677 0.3762 0.5813 0.5926 1.0799 1.0864 1.1224 1.1287 1.9180 1.9198 2.5940 2.5983 7.5434 7.5542 8.2512 8.2560 8.6895 8.6916 9.4130 9.4336 9.9778 9.9924 k = 0.2969-0.2417-0.0574 ( 18345 PWs) bands (ev): -40.1903 -40.1903 -19.0383 -19.0383 -17.1416 -17.1415 -17.0436 -17.0436 -15.9706 -15.9704 -15.7039 -15.7037 -15.5293 -15.5290 -6.5777 -6.5729 -6.1858 -6.1780 -5.9314 -5.9268 -4.8116 -4.7140 -3.7002 -3.4988 -3.4262 -3.3496 -3.1393 -3.0462 -2.7062 -2.6698 -2.6416 -2.5936 -1.1114 -1.1011 -0.8888 -0.8776 -0.0794 -0.0378 0.1642 0.1780 0.3642 0.3722 0.5803 0.5915 1.0824 1.0884 1.1249 1.1310 1.9118 1.9136 2.6034 2.6075 7.5388 7.5491 8.2413 8.2457 8.7341 8.7367 9.4427 9.4633 9.9897 10.0037 k = 0.3125-0.2544-0.0605 ( 18342 PWs) bands (ev): -40.1903 -40.1903 -19.0374 -19.0373 -17.1433 -17.1432 -17.0436 -17.0436 -15.9730 -15.9729 -15.7028 -15.7026 -15.5278 -15.5275 -6.5815 -6.5771 -6.1859 -6.1785 -5.9240 -5.9192 -4.8064 -4.7123 -3.6923 -3.4984 -3.4283 -3.3504 -3.1358 -3.0419 -2.7133 -2.6704 -2.6387 -2.5990 -1.1139 -1.1038 -0.8856 -0.8754 -0.0886 -0.0505 0.1581 0.1690 0.3609 0.3682 0.5794 0.5904 1.0851 1.0906 1.1275 1.1332 1.9060 1.9078 2.6123 2.6163 7.5323 7.5420 8.2337 8.2378 8.7800 8.7832 9.4723 9.4928 9.9995 10.0128 k = 0.3281-0.2671-0.0635 ( 18339 PWs) bands (ev): -40.1903 -40.1903 -19.0364 -19.0364 -17.1449 -17.1448 -17.0436 -17.0436 -15.9753 -15.9752 -15.7018 -15.7015 -15.5263 -15.5260 -6.5852 -6.5811 -6.1860 -6.1790 -5.9168 -5.9119 -4.8009 -4.7112 -3.6839 -3.4989 -3.4305 -3.3523 -3.1313 -3.0380 -2.7196 -2.6717 -2.6356 -2.6035 -1.1165 -1.1068 -0.8822 -0.8729 -0.0979 -0.0630 0.1520 0.1606 0.3577 0.3644 0.5787 0.5893 1.0880 1.0930 1.1300 1.1353 1.9007 1.9024 2.6208 2.6245 7.5241 7.5331 8.2285 8.2322 8.8267 8.8304 9.5015 9.5218 10.0073 10.0199 k = 0.3438-0.2798-0.0665 ( 18344 PWs) bands (ev): -40.1903 -40.1903 -19.0355 -19.0355 -17.1464 -17.1463 -17.0436 -17.0436 -15.9775 -15.9774 -15.7008 -15.7006 -15.5249 -15.5247 -6.5885 -6.5848 -6.1861 -6.1795 -5.9098 -5.9049 -4.7953 -4.7107 -3.6750 -3.5004 -3.4323 -3.3551 -3.1259 -3.0348 -2.7251 -2.6737 -2.6326 -2.6071 -1.1193 -1.1099 -0.8787 -0.8701 -0.1070 -0.0753 0.1459 0.1528 0.3547 0.3608 0.5781 0.5882 1.0909 1.0955 1.1323 1.1373 1.8958 1.8975 2.6287 2.6321 7.5146 7.5230 8.2254 8.2288 8.8735 8.8777 9.5298 9.5498 10.0130 10.0251 k = 0.3594-0.2926-0.0695 ( 18354 PWs) bands (ev): -40.1903 -40.1903 -19.0347 -19.0347 -17.1478 -17.1478 -17.0436 -17.0436 -15.9796 -15.9795 -15.6999 -15.6997 -15.5236 -15.5234 -6.5917 -6.5883 -6.1862 -6.1801 -5.9032 -5.8985 -4.7894 -4.7109 -3.6657 -3.5032 -3.4335 -3.3588 -3.1199 -3.0324 -2.7294 -2.6766 -2.6296 -2.6096 -1.1220 -1.1132 -0.8753 -0.8671 -0.1159 -0.0873 0.1400 0.1457 0.3519 0.3574 0.5777 0.5871 1.0938 1.0980 1.1346 1.1392 1.8915 1.8930 2.6360 2.6392 7.5044 7.5119 8.2242 8.2273 8.9198 8.9244 9.5570 9.5765 10.0168 10.0286 k = 0.3750-0.3053-0.0725 ( 18353 PWs) bands (ev): -40.1903 -40.1903 -19.0339 -19.0339 -17.1491 -17.1491 -17.0436 -17.0436 -15.9815 -15.9814 -15.6990 -15.6989 -15.5225 -15.5222 -6.5945 -6.5915 -6.1862 -6.1806 -5.8971 -5.8925 -4.7835 -4.7117 -3.6560 -3.5073 -3.4337 -3.3632 -3.1134 -3.0311 -2.7325 -2.6802 -2.6268 -2.6112 -1.1246 -1.1165 -0.8718 -0.8641 -0.1242 -0.0987 0.1343 0.1393 0.3495 0.3543 0.5773 0.5860 1.0967 1.1004 1.1368 1.1410 1.8876 1.8891 2.6427 2.6456 7.4938 7.5005 8.2244 8.2272 8.9649 8.9698 9.5824 9.6013 10.0187 10.0303 k = 0.3906-0.3180-0.0756 ( 18354 PWs) bands (ev): -40.1903 -40.1903 -19.0332 -19.0332 -17.1503 -17.1503 -17.0436 -17.0436 -15.9832 -15.9831 -15.6983 -15.6981 -15.5214 -15.5212 -6.5970 -6.5944 -6.1862 -6.1812 -5.8914 -5.8871 -4.7775 -4.7132 -3.6460 -3.5127 -3.4328 -3.3681 -3.1066 -3.0309 -2.7343 -2.6845 -2.6241 -2.6121 -1.1271 -1.1197 -0.8684 -0.8612 -0.1320 -0.1095 0.1291 0.1338 0.3473 0.3515 0.5771 0.5848 1.0994 1.1026 1.1388 1.1426 1.8842 1.8856 2.6487 2.6513 7.4833 7.4892 8.2257 8.2282 9.0081 9.0133 9.6057 9.6237 10.0187 10.0303 k = 0.4062-0.3307-0.0786 ( 18353 PWs) bands (ev): -40.1903 -40.1903 -19.0326 -19.0326 -17.1514 -17.1513 -17.0436 -17.0436 -15.9847 -15.9846 -15.6976 -15.6975 -15.5204 -15.5202 -6.5993 -6.5970 -6.1862 -6.1818 -5.8863 -5.8824 -4.7715 -4.7152 -3.6358 -3.5194 -3.4310 -3.3733 -3.0996 -3.0318 -2.7348 -2.6891 -2.6217 -2.6125 -1.1293 -1.1227 -0.8652 -0.8586 -0.1389 -0.1194 0.1244 0.1288 0.3454 0.3490 0.5769 0.5837 1.1018 1.1046 1.1406 1.1439 1.8814 1.8825 2.6541 2.6563 7.4734 7.4784 8.2278 8.2299 9.0487 9.0540 9.6266 9.6432 10.0170 10.0285 k = 0.4219-0.3434-0.0816 ( 18354 PWs) bands (ev): -40.1903 -40.1903 -19.0320 -19.0320 -17.1523 -17.1523 -17.0436 -17.0436 -15.9860 -15.9859 -15.6971 -15.6970 -15.5196 -15.5194 -6.6011 -6.5993 -6.1861 -6.1824 -5.8818 -5.8784 -4.7655 -4.7177 -3.6255 -3.5270 -3.4283 -3.3788 -3.0925 -3.0340 -2.7343 -2.6940 -2.6195 -2.6126 -1.1312 -1.1256 -0.8621 -0.8562 -0.1448 -0.1284 0.1205 0.1245 0.3438 0.3468 0.5769 0.5827 1.1040 1.1064 1.1423 1.1451 1.8790 1.8800 2.6586 2.6605 7.4644 7.4685 8.2301 8.2319 9.0859 9.0909 9.6446 9.6595 10.0140 10.0251 k = 0.4375-0.3562-0.0846 ( 18361 PWs) bands (ev): -40.1903 -40.1903 -19.0316 -19.0316 -17.1531 -17.1530 -17.0436 -17.0436 -15.9870 -15.9870 -15.6966 -15.6965 -15.5189 -15.5188 -6.6026 -6.6012 -6.1859 -6.1829 -5.8779 -5.8752 -4.7595 -4.7208 -3.6151 -3.5353 -3.4250 -3.3844 -3.0854 -3.0371 -2.7326 -2.6991 -2.6176 -2.6125 -1.1328 -1.1282 -0.8593 -0.8543 -0.1495 -0.1363 0.1174 0.1209 0.3426 0.3449 0.5769 0.5816 1.1059 1.1078 1.1438 1.1461 1.8771 1.8779 2.6624 2.6639 7.4567 7.4600 8.2325 8.2340 9.1186 9.1231 9.6596 9.6724 10.0102 10.0204 k = 0.4531-0.3689-0.0877 ( 18361 PWs) bands (ev): -40.1903 -40.1903 -19.0312 -19.0312 -17.1537 -17.1536 -17.0436 -17.0436 -15.9879 -15.9878 -15.6962 -15.6962 -15.5183 -15.5182 -6.6038 -6.6027 -6.1857 -6.1834 -5.8748 -5.8727 -4.7538 -4.7244 -3.6046 -3.5443 -3.4210 -3.3900 -3.0783 -3.0413 -2.7301 -2.7042 -2.6160 -2.6124 -1.1339 -1.1304 -0.8569 -0.8530 -0.1530 -0.1430 0.1150 0.1178 0.3417 0.3434 0.5771 0.5807 1.1075 1.1089 1.1450 1.1468 1.8756 1.8762 2.6655 2.6666 7.4505 7.4529 8.2347 8.2358 9.1458 9.1496 9.6715 9.6817 10.0064 10.0150 k = 0.4688-0.3816-0.0907 ( 18363 PWs) bands (ev): -40.1903 -40.1903 -19.0310 -19.0310 -17.1541 -17.1541 -17.0436 -17.0436 -15.9885 -15.9884 -15.6960 -15.6959 -15.5179 -15.5179 -6.6046 -6.6038 -6.1855 -6.1839 -5.8725 -5.8710 -4.7481 -4.7284 -3.5942 -3.5538 -3.4165 -3.3956 -3.0713 -3.0462 -2.7268 -2.7092 -2.6147 -2.6124 -1.1346 -1.1322 -0.8549 -0.8522 -0.1550 -0.1483 0.1135 0.1155 0.3411 0.3423 0.5774 0.5798 1.1087 1.1096 1.1460 1.1472 1.8746 1.8750 2.6677 2.6685 7.4460 7.4476 8.2365 8.2372 9.1665 9.1692 9.6804 9.6875 10.0034 10.0097 k = 0.4844-0.3943-0.0937 ( 18365 PWs) bands (ev): -40.1903 -40.1903 -19.0308 -19.0308 -17.1543 -17.1543 -17.0436 -17.0436 -15.9888 -15.9888 -15.6958 -15.6958 -15.5177 -15.5176 -6.6050 -6.6046 -6.1851 -6.1844 -5.8709 -5.8701 -4.7428 -4.7329 -3.5838 -3.5636 -3.4117 -3.4012 -3.0645 -3.0519 -2.7230 -2.7140 -2.6137 -2.6126 -1.1347 -1.1335 -0.8533 -0.8519 -0.1556 -0.1522 0.1129 0.1139 0.3409 0.3415 0.5778 0.5790 1.1095 1.1100 1.1467 1.1473 1.8741 1.8743 2.6691 2.6695 7.4434 7.4442 8.2377 8.2381 9.1796 9.1811 9.6865 9.6901 10.0021 10.0054 k = 0.5000-0.4070-0.0967 ( 18358 PWs) bands (ev): -40.1903 -40.1903 -19.0307 -19.0307 -17.1544 -17.1544 -17.0436 -17.0436 -15.9890 -15.9890 -15.6957 -15.6957 -15.5176 -15.5176 -6.6050 -6.6050 -6.1848 -6.1848 -5.8701 -5.8701 -4.7376 -4.7376 -3.5736 -3.5736 -3.4065 -3.4065 -3.0580 -3.0580 -2.7187 -2.7187 -2.6130 -2.6130 -1.1344 -1.1344 -0.8523 -0.8523 -0.1547 -0.1547 0.1130 0.1130 0.3410 0.3410 0.5784 0.5784 1.1099 1.1099 1.1472 1.1472 1.8740 1.8740 2.6697 2.6697 7.4428 7.4428 8.2382 8.2382 9.1846 9.1846 9.6897 9.6897 10.0027 10.0027 k = 0.5000-0.4070 0.6277 ( 18386 PWs) bands (ev): -40.1903 -40.1903 -19.0101 -19.0101 -17.1300 -17.1300 -16.9963 -16.9963 -15.9885 -15.9885 -15.7865 -15.7865 -15.5395 -15.5395 -7.0863 -7.0863 -6.1750 -6.1750 -5.3073 -5.3073 -4.7704 -4.7704 -3.5724 -3.5724 -3.3895 -3.3895 -3.0360 -3.0360 -2.9162 -2.9162 -2.5792 -2.5792 -1.1914 -1.1914 -1.0996 -1.0996 0.0058 0.0058 0.2209 0.2209 0.4520 0.4520 0.5593 0.5593 0.9241 0.9241 1.1059 1.1059 1.8971 1.8971 2.9412 2.9412 8.4772 8.4772 8.5764 8.5764 9.2259 9.2259 9.4516 9.4516 9.7737 9.7737 k = 0.4884-0.3976 0.6131 ( 18379 PWs) bands (ev): -40.1902 -40.1902 -19.0102 -19.0102 -17.1301 -17.1301 -16.9963 -16.9963 -15.9884 -15.9883 -15.7865 -15.7864 -15.5395 -15.5395 -7.0858 -7.0855 -6.1750 -6.1749 -5.3088 -5.3079 -4.7737 -4.7672 -3.5775 -3.5675 -3.3974 -3.3819 -3.0398 -3.0329 -2.9196 -2.9116 -2.5816 -2.5766 -1.1922 -1.1906 -1.1005 -1.0969 0.0049 0.0058 0.2198 0.2217 0.4509 0.4526 0.5582 0.5609 0.9245 0.9246 1.1058 1.1062 1.8972 1.8972 2.9407 2.9411 8.4714 8.4751 8.5777 8.5830 9.2225 9.2254 9.4491 9.4543 9.7725 9.7744 k = 0.4767-0.3881 0.5985 ( 18381 PWs) bands (ev): -40.1902 -40.1902 -19.0103 -19.0103 -17.1302 -17.1302 -16.9965 -16.9965 -15.9881 -15.9880 -15.7863 -15.7862 -15.5395 -15.5394 -7.0841 -7.0834 -6.1749 -6.1747 -5.3125 -5.3106 -4.7771 -4.7640 -3.5827 -3.5629 -3.4056 -3.3748 -3.0440 -3.0305 -2.9216 -2.9061 -2.5837 -2.5737 -1.1930 -1.1900 -1.0997 -1.0926 0.0030 0.0048 0.2186 0.2224 0.4495 0.4529 0.5575 0.5628 0.9259 0.9262 1.1057 1.1065 1.8973 1.8975 2.9395 2.9403 8.4600 8.4659 8.5865 8.5956 9.2154 9.2210 9.4469 9.4569 9.7711 9.7747 k = 0.4651-0.3786 0.5839 ( 18370 PWs) bands (ev): -40.1902 -40.1902 -19.0105 -19.0105 -17.1305 -17.1304 -16.9967 -16.9967 -15.9875 -15.9875 -15.7860 -15.7859 -15.5394 -15.5393 -7.0811 -7.0800 -6.1747 -6.1745 -5.3181 -5.3154 -4.7805 -4.7610 -3.5880 -3.5586 -3.4140 -3.3681 -3.0486 -3.0292 -2.9222 -2.8997 -2.5855 -2.5706 -1.1937 -1.1897 -1.0971 -1.0869 0.0003 0.0031 0.2173 0.2229 0.4478 0.4528 0.5571 0.5649 0.9284 0.9287 1.1057 1.1068 1.8976 1.8978 2.9376 2.9389 8.4450 8.4517 8.6002 8.6118 9.2054 9.2132 9.4448 9.4587 9.7697 9.7747 k = 0.4535-0.3692 0.5693 ( 18364 PWs) bands (ev): -40.1902 -40.1902 -19.0108 -19.0108 -17.1308 -17.1307 -16.9970 -16.9970 -15.9868 -15.9867 -15.7856 -15.7854 -15.5393 -15.5392 -7.0769 -7.0754 -6.1744 -6.1741 -5.3258 -5.3223 -4.7840 -4.7580 -3.5934 -3.5547 -3.4224 -3.3620 -3.0533 -3.0288 -2.9211 -2.8925 -2.5870 -2.5674 -1.1942 -1.1894 -1.0927 -1.0799 -0.0033 0.0005 0.2159 0.2232 0.4458 0.4523 0.5571 0.5671 0.9317 0.9322 1.1057 1.1072 1.8980 1.8983 2.9351 2.9367 8.4278 8.4346 8.6168 8.6300 9.1933 9.2026 9.4421 9.4591 9.7686 9.7749 k = 0.4419-0.3597 0.5547 ( 18348 PWs) bands (ev): -40.1902 -40.1902 -19.0112 -19.0112 -17.1311 -17.1311 -16.9975 -16.9975 -15.9859 -15.9858 -15.7851 -15.7849 -15.5391 -15.5390 -7.0714 -7.0696 -6.1740 -6.1737 -5.3355 -5.3311 -4.7875 -4.7551 -3.5989 -3.5513 -3.4306 -3.3565 -3.0582 -3.0296 -2.9184 -2.8847 -2.5883 -2.5640 -1.1944 -1.1892 -1.0867 -1.0718 -0.0076 -0.0027 0.2143 0.2233 0.4437 0.4516 0.5575 0.5695 0.9359 0.9365 1.1058 1.1077 1.8986 1.8989 2.9318 2.9339 8.4089 8.4154 8.6349 8.6493 9.1798 9.1902 9.4383 9.4574 9.7682 9.7753 k = 0.4302-0.3502 0.5401 ( 18345 PWs) bands (ev): -40.1902 -40.1902 -19.0117 -19.0117 -17.1316 -17.1315 -16.9980 -16.9980 -15.9848 -15.9847 -15.7845 -15.7842 -15.5389 -15.5388 -7.0647 -7.0626 -6.1735 -6.1732 -5.3470 -5.3419 -4.7911 -4.7523 -3.6044 -3.5485 -3.4385 -3.3516 -3.0631 -3.0313 -2.9142 -2.8764 -2.5893 -2.5606 -1.1944 -1.1890 -1.0792 -1.0628 -0.0124 -0.0064 0.2127 0.2232 0.4414 0.4506 0.5580 0.5718 0.9409 0.9417 1.1060 1.1082 1.8993 1.8997 2.9279 2.9303 8.3886 8.3946 8.6537 8.6689 9.1659 9.1771 9.4329 9.4532 9.7686 9.7764 k = 0.4186-0.3408 0.5255 ( 18341 PWs) bands (ev): -40.1902 -40.1902 -19.0123 -19.0123 -17.1321 -17.1320 -16.9987 -16.9986 -15.9836 -15.9834 -15.7837 -15.7834 -15.5387 -15.5386 -7.0569 -7.0544 -6.1730 -6.1725 -5.3604 -5.3546 -4.7947 -4.7497 -3.6100 -3.5466 -3.4457 -3.3473 -3.0679 -3.0340 -2.9086 -2.8677 -2.5901 -2.5572 -1.1941 -1.1887 -1.0705 -1.0529 -0.0177 -0.0106 0.2111 0.2229 0.4390 0.4494 0.5587 0.5739 0.9465 0.9476 1.1062 1.1087 1.9001 1.9006 2.9233 2.9260 8.3671 8.3724 8.6722 8.6883 9.1525 9.1643 9.4255 9.4462 9.7700 9.7782 k = 0.4070-0.3313 0.5109 ( 18338 PWs) bands (ev): -40.1902 -40.1902 -19.0130 -19.0130 -17.1326 -17.1325 -16.9994 -16.9994 -15.9822 -15.9820 -15.7828 -15.7824 -15.5385 -15.5384 -7.0479 -7.0451 -6.1722 -6.1718 -5.3754 -5.3690 -4.7984 -4.7472 -3.6155 -3.5457 -3.4520 -3.3438 -3.0727 -3.0373 -2.9018 -2.8585 -2.5908 -2.5539 -1.1934 -1.1880 -1.0606 -1.0423 -0.0233 -0.0149 0.2094 0.2224 0.4366 0.4481 0.5594 0.5759 0.9528 0.9542 1.1064 1.1092 1.9011 1.9017 2.9180 2.9210 8.3443 8.3491 8.6896 8.7064 9.1406 9.1527 9.4158 9.4363 9.7720 9.7808 k = 0.3953-0.3218 0.4963 ( 18348 PWs) bands (ev): -40.1902 -40.1902 -19.0138 -19.0137 -17.1331 -17.1331 -17.0002 -17.0002 -15.9806 -15.9805 -15.7817 -15.7814 -15.5383 -15.5381 -7.0378 -7.0347 -6.1714 -6.1709 -5.3921 -5.3850 -4.8021 -4.7449 -3.6211 -3.5459 -3.4570 -3.3409 -3.0773 -3.0411 -2.8940 -2.8490 -2.5912 -2.5506 -1.1926 -1.1871 -1.0498 -1.0312 -0.0291 -0.0193 0.2078 0.2219 0.4342 0.4467 0.5602 0.5776 0.9596 0.9613 1.1066 1.1097 1.9023 1.9030 2.9120 2.9152 8.3203 8.3247 8.7049 8.7223 9.1311 9.1435 9.4041 9.4238 9.7741 9.7840 k = 0.3837-0.3124 0.4817 ( 18350 PWs) bands (ev): -40.1902 -40.1902 -19.0146 -19.0146 -17.1337 -17.1336 -17.0011 -17.0011 -15.9789 -15.9788 -15.7806 -15.7802 -15.5380 -15.5379 -7.0266 -7.0232 -6.1705 -6.1700 -5.4103 -5.4026 -4.8058 -4.7427 -3.6267 -3.5474 -3.4606 -3.3388 -3.0818 -3.0452 -2.8854 -2.8393 -2.5915 -2.5474 -1.1915 -1.1858 -1.0383 -1.0196 -0.0347 -0.0237 0.2062 0.2212 0.4317 0.4452 0.5610 0.5791 0.9668 0.9689 1.1069 1.1102 1.9037 1.9044 2.9052 2.9087 8.2954 8.2995 8.7170 8.7349 9.1248 9.1373 9.3905 9.4090 9.7756 9.7873 k = 0.3721-0.3029 0.4671 ( 18350 PWs) bands (ev): -40.1902 -40.1902 -19.0155 -19.0155 -17.1342 -17.1341 -17.0021 -17.0021 -15.9772 -15.9770 -15.7793 -15.7789 -15.5378 -15.5377 -7.0145 -7.0108 -6.1694 -6.1689 -5.4299 -5.4217 -4.8095 -4.7408 -3.6324 -3.5500 -3.4628 -3.3374 -3.0860 -3.0496 -2.8760 -2.8294 -2.5918 -2.5443 -1.1902 -1.1842 -1.0261 -1.0078 -0.0402 -0.0278 0.2048 0.2204 0.4293 0.4436 0.5618 0.5803 0.9743 0.9767 1.1071 1.1107 1.9052 1.9060 2.8977 2.9014 8.2695 8.2735 8.7249 8.7430 9.1221 9.1345 9.3757 9.3925 9.7757 9.7900 k = 0.3605-0.2934 0.4525 ( 18344 PWs) bands (ev): -40.1902 -40.1902 -19.0165 -19.0165 -17.1347 -17.1346 -17.0032 -17.0032 -15.9753 -15.9751 -15.7778 -15.7774 -15.5376 -15.5375 -7.0014 -6.9975 -6.1682 -6.1676 -5.4507 -5.4421 -4.8132 -4.7391 -3.6382 -3.5536 -3.4636 -3.3367 -3.0899 -3.0541 -2.8661 -2.8194 -2.5919 -2.5415 -1.1887 -1.1822 -1.0136 -0.9958 -0.0453 -0.0315 0.2034 0.2195 0.4269 0.4420 0.5626 0.5812 0.9820 0.9848 1.1074 1.1112 1.9070 1.9079 2.8893 2.8932 8.2429 8.2470 8.7276 8.7458 9.1226 9.1347 9.3605 9.3754 9.7732 9.7907 k = 0.3488-0.2840 0.4379 ( 18348 PWs) bands (ev): -40.1902 -40.1902 -19.0176 -19.0176 -17.1351 -17.1351 -17.0044 -17.0044 -15.9734 -15.9732 -15.7763 -15.7758 -15.5374 -15.5373 -6.9874 -6.9833 -6.1668 -6.1661 -5.4728 -5.4637 -4.8169 -4.7377 -3.6440 -3.5577 -3.4633 -3.3368 -3.0936 -3.0586 -2.8558 -2.8094 -2.5920 -2.5388 -1.1870 -1.1799 -1.0008 -0.9838 -0.0499 -0.0347 0.2022 0.2187 0.4245 0.4404 0.5633 0.5818 0.9897 0.9929 1.1076 1.1116 1.9090 1.9099 2.8802 2.8842 8.2159 8.2202 8.7248 8.7429 9.1251 9.1365 9.3465 9.3591 9.7669 9.7879 k = 0.3372-0.2745 0.4233 ( 18340 PWs) bands (ev): -40.1902 -40.1902 -19.0187 -19.0187 -17.1355 -17.1355 -17.0057 -17.0056 -15.9714 -15.9712 -15.7746 -15.7741 -15.5373 -15.5372 -6.9726 -6.9683 -6.1652 -6.1645 -5.4959 -5.4865 -4.8205 -4.7365 -3.6500 -3.5621 -3.4622 -3.3376 -3.0970 -3.0629 -2.8452 -2.7994 -2.5921 -2.5364 -1.1851 -1.1773 -0.9879 -0.9720 -0.0537 -0.0372 0.2012 0.2179 0.4222 0.4387 0.5641 0.5822 0.9974 1.0011 1.1077 1.1120 1.9112 1.9122 2.8702 2.8743 8.1886 8.1933 8.7166 8.7343 9.1265 9.1372 9.3356 9.3460 9.7557 9.7797 k = 0.3256-0.2650 0.4087 ( 18345 PWs) bands (ev): -40.1903 -40.1903 -19.0200 -19.0199 -17.1358 -17.1358 -17.0070 -17.0070 -15.9694 -15.9692 -15.7727 -15.7723 -15.5372 -15.5371 -6.9570 -6.9525 -6.1635 -6.1627 -5.5199 -5.5102 -4.8240 -4.7356 -3.6562 -3.5662 -3.4605 -3.3391 -3.1000 -3.0671 -2.8344 -2.7896 -2.5921 -2.5341 -1.1829 -1.1745 -0.9751 -0.9604 -0.0568 -0.0390 0.2004 0.2171 0.4199 0.4369 0.5649 0.5824 1.0051 1.0092 1.1078 1.1123 1.9136 1.9147 2.8593 2.8635 8.1613 8.1665 8.7032 8.7206 9.1232 9.1333 9.3294 9.3387 9.7391 9.7648 k = 0.3140-0.2556 0.3941 ( 18354 PWs) bands (ev): -40.1903 -40.1903 -19.0212 -19.0212 -17.1361 -17.1360 -17.0084 -17.0084 -15.9674 -15.9672 -15.7708 -15.7704 -15.5372 -15.5370 -6.9408 -6.9361 -6.1616 -6.1607 -5.5448 -5.5349 -4.8274 -4.7350 -3.6625 -3.5699 -3.4586 -3.3412 -3.1028 -3.0710 -2.8235 -2.7801 -2.5921 -2.5321 -1.1806 -1.1716 -0.9626 -0.9493 -0.0590 -0.0400 0.1999 0.2164 0.4176 0.4351 0.5657 0.5825 1.0125 1.0170 1.1079 1.1125 1.9163 1.9174 2.8476 2.8518 8.1342 8.1400 8.6853 8.7023 9.1121 9.1221 9.3290 9.3389 9.7188 9.7442 k = 0.3023-0.2461 0.3795 ( 18353 PWs) bands (ev): -40.1903 -40.1903 -19.0226 -19.0226 -17.1362 -17.1361 -17.0099 -17.0099 -15.9653 -15.9651 -15.7688 -15.7683 -15.5372 -15.5371 -6.9239 -6.9191 -6.1595 -6.1585 -5.5704 -5.5603 -4.8306 -4.7347 -3.6690 -3.5729 -3.4565 -3.3440 -3.1051 -3.0745 -2.8126 -2.7708 -2.5920 -2.5302 -1.1781 -1.1685 -0.9505 -0.9386 -0.0601 -0.0402 0.1996 0.2158 0.4155 0.4333 0.5666 0.5824 1.0197 1.0247 1.1079 1.1127 1.9192 1.9204 2.8350 2.8392 8.1073 8.1138 8.6635 8.6801 9.0926 9.1026 9.3332 9.3445 9.6981 9.7213 k = 0.2907-0.2366 0.3649 ( 18355 PWs) bands (ev): -40.1903 -40.1903 -19.0240 -19.0240 -17.1362 -17.1361 -17.0114 -17.0114 -15.9633 -15.9631 -15.7666 -15.7662 -15.5373 -15.5372 -6.9065 -6.9015 -6.1572 -6.1560 -5.5967 -5.5864 -4.8337 -4.7347 -3.6755 -3.5751 -3.4547 -3.3471 -3.1072 -3.0776 -2.8019 -2.7619 -2.5919 -2.5286 -1.1754 -1.1654 -0.9390 -0.9286 -0.0602 -0.0394 0.1996 0.2154 0.4134 0.4313 0.5675 0.5823 1.0265 1.0320 1.1078 1.1129 1.9224 1.9237 2.8215 2.8257 8.0807 8.0880 8.6385 8.6546 9.0661 9.0759 9.3387 9.3511 9.6817 9.7013 k = 0.2791-0.2272 0.3503 ( 18346 PWs) bands (ev): -40.1903 -40.1903 -19.0254 -19.0254 -17.1361 -17.1361 -17.0130 -17.0130 -15.9613 -15.9611 -15.7644 -15.7640 -15.5374 -15.5373 -6.8886 -6.8836 -6.1547 -6.1534 -5.6234 -5.6131 -4.8366 -4.7351 -3.6821 -3.5765 -3.4532 -3.3506 -3.1089 -3.0803 -2.7914 -2.7534 -2.5916 -2.5270 -1.1725 -1.1621 -0.9282 -0.9192 -0.0593 -0.0376 0.2000 0.2152 0.4114 0.4293 0.5686 0.5822 1.0330 1.0390 1.1076 1.1129 1.9259 1.9272 2.8071 2.8113 8.0544 8.0625 8.6110 8.6266 9.0347 9.0441 9.3411 9.3546 9.6737 9.6887 k = 0.2674-0.2177 0.3357 ( 18348 PWs) bands (ev): -40.1903 -40.1903 -19.0269 -19.0269 -17.1359 -17.1358 -17.0147 -17.0146 -15.9593 -15.9591 -15.7620 -15.7617 -15.5376 -15.5375 -6.8703 -6.8652 -6.1519 -6.1505 -5.6505 -5.6402 -4.8393 -4.7357 -3.6885 -3.5770 -3.4523 -3.3541 -3.1103 -3.0825 -2.7812 -2.7453 -2.5913 -2.5257 -1.1694 -1.1589 -0.9184 -0.9105 -0.0572 -0.0349 0.2006 0.2152 0.4095 0.4273 0.5697 0.5820 1.0391 1.0457 1.1073 1.1130 1.9296 1.9309 2.7918 2.7960 8.0283 8.0372 8.5816 8.5965 8.9998 9.0088 9.3373 9.3520 9.6766 9.6866 k = 0.2558-0.2082 0.3211 ( 18343 PWs) bands (ev): -40.1903 -40.1903 -19.0284 -19.0284 -17.1356 -17.1355 -17.0163 -17.0163 -15.9574 -15.9572 -15.7596 -15.7593 -15.5379 -15.5378 -6.8517 -6.8465 -6.1490 -6.1474 -5.6778 -5.6676 -4.8417 -4.7368 -3.6947 -3.5767 -3.4523 -3.3576 -3.1114 -3.0841 -2.7715 -2.7377 -2.5908 -2.5244 -1.1663 -1.1556 -0.9096 -0.9024 -0.0542 -0.0313 0.2016 0.2155 0.4078 0.4253 0.5708 0.5819 1.0448 1.0519 1.1070 1.1129 1.9336 1.9349 2.7757 2.7799 8.0022 8.0118 8.5510 8.5653 8.9629 8.9717 9.3266 9.3427 9.6900 9.6951 k = 0.2442-0.1988 0.3065 ( 18352 PWs) bands (ev): -40.1903 -40.1903 -19.0299 -19.0299 -17.1352 -17.1351 -17.0180 -17.0180 -15.9555 -15.9553 -15.7572 -15.7569 -15.5383 -15.5382 -6.8328 -6.8276 -6.1458 -6.1441 -5.7054 -5.6953 -4.8439 -4.7382 -3.7005 -3.5757 -3.4533 -3.3607 -3.1123 -3.0853 -2.7623 -2.7305 -2.5902 -2.5233 -1.1629 -1.1522 -0.9021 -0.8949 -0.0502 -0.0268 0.2029 0.2160 0.4063 0.4232 0.5721 0.5818 1.0500 1.0578 1.1065 1.1129 1.9378 1.9391 2.7588 2.7630 7.9757 7.9861 8.5200 8.5335 8.9252 8.9338 9.3105 9.3278 9.7110 9.7126 k = 0.2326-0.1893 0.2919 ( 18352 PWs) bands (ev): -40.1903 -40.1903 -19.0315 -19.0315 -17.1346 -17.1345 -17.0198 -17.0197 -15.9537 -15.9535 -15.7547 -15.7544 -15.5387 -15.5386 -6.8137 -6.8086 -6.1425 -6.1406 -5.7330 -5.7231 -4.8459 -4.7399 -3.7060 -3.5740 -3.4555 -3.3633 -3.1130 -3.0860 -2.7539 -2.7237 -2.5895 -2.5222 -1.1595 -1.1489 -0.8959 -0.8882 -0.0455 -0.0214 0.2045 0.2169 0.4049 0.4213 0.5733 0.5818 1.0548 1.0632 1.1059 1.1128 1.9422 1.9436 2.7412 2.7454 7.9486 7.9597 8.4892 8.5020 8.8877 8.8963 9.2912 9.3094 9.7341 9.7381 k = 0.2209-0.1799 0.2773 ( 18357 PWs) bands (ev): -40.1903 -40.1903 -19.0330 -19.0330 -17.1339 -17.1338 -17.0215 -17.0215 -15.9519 -15.9518 -15.7522 -15.7519 -15.5392 -15.5391 -6.7945 -6.7894 -6.1390 -6.1371 -5.7605 -5.7508 -4.8475 -4.7420 -3.7110 -3.5717 -3.4589 -3.3652 -3.1134 -3.0862 -2.7462 -2.7172 -2.5885 -2.5212 -1.1560 -1.1455 -0.8909 -0.8822 -0.0401 -0.0152 0.2063 0.2181 0.4038 0.4194 0.5747 0.5820 1.0591 1.0683 1.1053 1.1127 1.9468 1.9482 2.7230 2.7271 7.9206 7.9323 8.4593 8.4714 8.8513 8.8600 9.2704 9.2891 9.7581 9.7661 k = 0.2093-0.1704 0.2627 ( 18350 PWs) bands (ev): -40.1903 -40.1903 -19.0346 -19.0346 -17.1332 -17.1331 -17.0232 -17.0232 -15.9502 -15.9501 -15.7497 -15.7494 -15.5398 -15.5397 -6.7752 -6.7702 -6.1355 -6.1334 -5.7878 -5.7785 -4.8488 -4.7444 -3.7154 -3.5690 -3.4635 -3.3665 -3.1137 -3.0860 -2.7394 -2.7111 -2.5873 -2.5202 -1.1523 -1.1421 -0.8870 -0.8771 -0.0342 -0.0083 0.2082 0.2198 0.4029 0.4178 0.5760 0.5823 1.0630 1.0730 1.1045 1.1126 1.9516 1.9530 2.7043 2.7083 7.8914 7.9035 8.4308 8.4423 8.8168 8.8258 9.2492 9.2682 9.7807 9.7932 k = 0.1977-0.1609 0.2481 ( 18353 PWs) bands (ev): -40.1903 -40.1903 -19.0361 -19.0361 -17.1323 -17.1322 -17.0250 -17.0249 -15.9486 -15.9485 -15.7471 -15.7469 -15.5404 -15.5403 -6.7560 -6.7509 -6.1319 -6.1296 -5.8148 -5.8059 -4.8498 -4.7471 -3.7191 -3.5660 -3.4690 -3.3672 -3.1137 -3.0855 -2.7334 -2.7053 -2.5859 -2.5194 -1.1486 -1.1386 -0.8841 -0.8729 -0.0281 -0.0008 0.2101 0.2221 0.4023 0.4163 0.5772 0.5827 1.0664 1.0773 1.1037 1.1126 1.9566 1.9579 2.6851 2.6891 7.8609 7.8731 8.4040 8.4150 8.7851 8.7944 9.2283 9.2473 9.7992 9.8164 k = 0.1860-0.1515 0.2335 ( 18354 PWs) bands (ev): -40.1903 -40.1903 -19.0376 -19.0376 -17.1314 -17.1313 -17.0267 -17.0267 -15.9471 -15.9470 -15.7447 -15.7445 -15.5411 -15.5410 -6.7367 -6.7318 -6.1283 -6.1260 -5.8414 -5.8328 -4.8505 -4.7501 -3.7222 -3.5632 -3.4750 -3.3674 -3.1135 -3.0848 -2.7283 -2.6999 -2.5843 -2.5185 -1.1448 -1.1351 -0.8821 -0.8698 -0.0218 0.0072 0.2119 0.2249 0.4020 0.4152 0.5785 0.5833 1.0694 1.0814 1.1027 1.1126 1.9616 1.9629 2.6657 2.6696 7.8291 7.8412 8.3792 8.3897 8.7569 8.7665 9.2079 9.2269 9.8122 9.8331 k = 0.1744-0.1420 0.2189 ( 18356 PWs) bands (ev): -40.1903 -40.1903 -19.0391 -19.0391 -17.1303 -17.1302 -17.0284 -17.0283 -15.9456 -15.9455 -15.7422 -15.7421 -15.5418 -15.5417 -6.7176 -6.7128 -6.1249 -6.1225 -5.8673 -5.8593 -4.8508 -4.7534 -3.7246 -3.5607 -3.4810 -3.3675 -3.1132 -3.0838 -2.7238 -2.6949 -2.5824 -2.5178 -1.1409 -1.1315 -0.8810 -0.8676 -0.0155 0.0154 0.2137 0.2282 0.4021 0.4144 0.5796 0.5840 1.0720 1.0850 1.1017 1.1126 1.9667 1.9680 2.6462 2.6499 7.7960 7.8079 8.3561 8.3662 8.7329 8.7428 9.1883 9.2071 9.8196 9.8425 k = 0.1628-0.1325 0.2044 ( 18354 PWs) bands (ev): -40.1903 -40.1903 -19.0406 -19.0406 -17.1293 -17.1292 -17.0300 -17.0300 -15.9443 -15.9442 -15.7399 -15.7397 -15.5426 -15.5424 -6.6987 -6.6940 -6.1219 -6.1192 -5.8923 -5.8849 -4.8508 -4.7570 -3.7262 -3.5592 -3.4862 -3.3674 -3.1126 -3.0828 -2.7200 -2.6905 -2.5802 -2.5172 -1.1370 -1.1278 -0.8806 -0.8664 -0.0093 0.0237 0.2154 0.2320 0.4024 0.4140 0.5807 0.5849 1.0742 1.0884 1.1007 1.1128 1.9719 1.9731 2.6266 2.6303 7.7622 7.7735 8.3344 8.3441 8.7136 8.7238 9.1694 9.1881 9.8221 9.8452 k = 0.1512-0.1231 0.1898 ( 18347 PWs) bands (ev): -40.1903 -40.1903 -19.0420 -19.0420 -17.1282 -17.1281 -17.0316 -17.0316 -15.9430 -15.9429 -15.7376 -15.7374 -15.5433 -15.5432 -6.6800 -6.6754 -6.1193 -6.1165 -5.9163 -5.9095 -4.8505 -4.7608 -3.7271 -3.5595 -3.4899 -3.3675 -3.1118 -3.0817 -2.7167 -2.6867 -2.5777 -2.5166 -1.1330 -1.1241 -0.8809 -0.8661 -0.0032 0.0319 0.2171 0.2360 0.4031 0.4140 0.5818 0.5859 1.0759 1.0914 1.0997 1.1130 1.9770 1.9781 2.6074 2.6109 7.7279 7.7385 8.3138 8.3230 8.6995 8.7100 9.1513 9.1698 9.8204 9.8427 k = 0.1395-0.1136 0.1752 ( 18348 PWs) bands (ev): -40.1903 -40.1903 -19.0433 -19.0433 -17.1270 -17.1269 -17.0331 -17.0331 -15.9418 -15.9417 -15.7354 -15.7352 -15.5441 -15.5440 -6.6615 -6.6572 -6.1175 -6.1146 -5.9388 -5.9328 -4.8498 -4.7648 -3.7272 -3.5620 -3.4913 -3.3679 -3.1108 -3.0807 -2.7138 -2.6835 -2.5749 -2.5163 -1.1289 -1.1203 -0.8818 -0.8667 0.0026 0.0397 0.2189 0.2401 0.4042 0.4144 0.5828 0.5869 1.0774 1.0939 1.0989 1.1133 1.9820 1.9831 2.5885 2.5919 7.6937 7.7035 8.2941 8.3027 8.6908 8.7015 9.1339 9.1522 9.8155 9.8364 k = 0.1279-0.1041 0.1606 ( 18351 PWs) bands (ev): -40.1903 -40.1903 -19.0446 -19.0446 -17.1259 -17.1258 -17.0345 -17.0345 -15.9407 -15.9406 -15.7333 -15.7332 -15.5449 -15.5447 -6.6435 -6.6393 -6.1169 -6.1137 -5.9595 -5.9543 -4.8488 -4.7690 -3.7264 -3.5669 -3.4902 -3.3686 -3.1096 -3.0798 -2.7111 -2.6810 -2.5719 -2.5161 -1.1248 -1.1165 -0.8831 -0.8680 0.0082 0.0468 0.2208 0.2442 0.4056 0.4152 0.5839 0.5879 1.0785 1.0949 1.0993 1.1136 1.9869 1.9879 2.5702 2.5734 7.6601 7.6690 8.2750 8.2829 8.6873 8.6982 9.1172 9.1352 9.8080 9.8271 k = 0.1163-0.0947 0.1460 ( 18365 PWs) bands (ev): -40.1903 -40.1903 -19.0458 -19.0458 -17.1248 -17.1247 -17.0359 -17.0359 -15.9397 -15.9396 -15.7314 -15.7312 -15.5457 -15.5455 -6.6258 -6.6218 -6.1179 -6.1144 -5.9779 -5.9737 -4.8475 -4.7734 -3.7249 -3.5739 -3.4869 -3.3698 -3.1082 -3.0791 -2.7086 -2.6792 -2.5685 -2.5162 -1.1207 -1.1127 -0.8849 -0.8700 0.0137 0.0531 0.2231 0.2481 0.4072 0.4163 0.5849 0.5889 1.0793 1.0943 1.1012 1.1141 1.9916 1.9926 2.5526 2.5557 7.6276 7.6356 8.2564 8.2637 8.6887 8.6998 9.1010 9.1187 9.7985 9.8157 k = 0.1047-0.0852 0.1314 ( 18374 PWs) bands (ev): -40.1903 -40.1903 -19.0469 -19.0469 -17.1237 -17.1236 -17.0372 -17.0372 -15.9388 -15.9387 -15.7295 -15.7294 -15.5464 -15.5462 -6.6087 -6.6049 -6.1208 -6.1171 -5.9935 -5.9902 -4.8458 -4.7778 -3.7226 -3.5824 -3.4820 -3.3715 -3.1066 -3.0786 -2.7062 -2.6781 -2.5650 -2.5165 -1.1166 -1.1090 -0.8869 -0.8725 0.0189 0.0584 0.2256 0.2516 0.4092 0.4177 0.5860 0.5899 1.0799 1.0931 1.1033 1.1146 1.9961 1.9970 2.5361 2.5390 7.5968 7.6039 8.2386 8.2451 8.6945 8.7057 9.0853 9.1026 9.7874 9.8028 k = 0.0930-0.0757 0.1168 ( 18372 PWs) bands (ev): -40.1903 -40.1903 -19.0479 -19.0479 -17.1227 -17.1226 -17.0384 -17.0384 -15.9379 -15.9379 -15.7279 -15.7277 -15.5471 -15.5469 -6.5923 -6.5888 -6.1262 -6.1222 -6.0057 -6.0034 -4.8438 -4.7824 -3.7196 -3.5918 -3.4759 -3.3738 -3.1049 -3.0784 -2.7039 -2.6775 -2.5613 -2.5170 -1.1125 -1.1053 -0.8891 -0.8755 0.0239 0.0625 0.2285 0.2547 0.4113 0.4193 0.5870 0.5907 1.0803 1.0918 1.1054 1.1151 2.0004 2.0011 2.5207 2.5234 7.5681 7.5743 8.2217 8.2275 8.7040 8.7152 9.0700 9.0869 9.7755 9.7889 k = 0.0814-0.0663 0.1022 ( 18371 PWs) bands (ev): -40.1903 -40.1903 -19.0488 -19.0488 -17.1217 -17.1216 -17.0394 -17.0394 -15.9372 -15.9371 -15.7264 -15.7262 -15.5478 -15.5476 -6.5767 -6.5734 -6.1337 -6.1296 -6.0146 -6.0131 -4.8416 -4.7870 -3.7158 -3.6017 -3.4689 -3.3768 -3.1029 -3.0784 -2.7017 -2.6775 -2.5575 -2.5179 -1.1086 -1.1019 -0.8913 -0.8788 0.0288 0.0654 0.2317 0.2572 0.4136 0.4209 0.5881 0.5915 1.0805 1.0904 1.1074 1.1156 2.0042 2.0049 2.5066 2.5090 7.5419 7.5471 8.2061 8.2111 8.7164 8.7275 9.0551 9.0715 9.7631 9.7747 k = 0.0698-0.0568 0.0876 ( 18365 PWs) bands (ev): -40.1903 -40.1903 -19.0496 -19.0496 -17.1208 -17.1208 -17.0404 -17.0404 -15.9366 -15.9365 -15.7250 -15.7249 -15.5483 -15.5482 -6.5621 -6.5592 -6.1429 -6.1390 -6.0206 -6.0197 -4.8390 -4.7916 -3.7112 -3.6119 -3.4615 -3.3804 -3.1008 -3.0788 -2.6995 -2.6779 -2.5536 -2.5190 -1.1047 -1.0987 -0.8934 -0.8822 0.0335 0.0672 0.2352 0.2591 0.4160 0.4225 0.5891 0.5922 1.0808 1.0891 1.1092 1.1161 2.0077 2.0083 2.4941 2.4962 7.5185 7.5229 8.1919 8.1962 8.7308 8.7417 9.0407 9.0563 9.7509 9.7606 k = 0.0581-0.0473 0.0730 ( 18372 PWs) bands (ev): -40.1903 -40.1903 -19.0503 -19.0503 -17.1201 -17.1200 -17.0412 -17.0412 -15.9360 -15.9360 -15.7239 -15.7238 -15.5489 -15.5487 -6.5489 -6.5463 -6.1529 -6.1493 -6.0243 -6.0239 -4.8361 -4.7963 -3.7060 -3.6222 -3.4538 -3.3847 -3.0987 -3.0795 -2.6973 -2.6787 -2.5497 -2.5205 -1.1012 -1.0959 -0.8953 -0.8856 0.0381 0.0678 0.2389 0.2603 0.4182 0.4239 0.5901 0.5927 1.0809 1.0878 1.1108 1.1165 2.0108 2.0113 2.4832 2.4850 7.4982 7.5019 8.1795 8.1831 8.7465 8.7569 9.0270 9.0415 9.7395 9.7474 k = 0.0465-0.0379 0.0584 ( 18374 PWs) bands (ev): -40.1903 -40.1903 -19.0509 -19.0509 -17.1194 -17.1194 -17.0419 -17.0418 -15.9356 -15.9355 -15.7230 -15.7229 -15.5493 -15.5492 -6.5372 -6.5350 -6.1626 -6.1595 -6.0265 -6.0263 -4.8330 -4.8008 -3.7000 -3.6323 -3.4459 -3.3897 -3.0964 -3.0805 -2.6951 -2.6798 -2.5459 -2.5222 -1.0980 -1.0936 -0.8969 -0.8889 0.0425 0.0674 0.2427 0.2607 0.4204 0.4250 0.5909 0.5931 1.0811 1.0865 1.1123 1.1167 2.0134 2.0138 2.4741 2.4756 7.4814 7.4843 8.1692 8.1720 8.7624 8.7720 9.0143 9.0273 9.7294 9.7356 k = 0.0349-0.0284 0.0438 ( 18389 PWs) bands (ev): -40.1903 -40.1903 -19.0513 -19.0513 -17.1189 -17.1189 -17.0424 -17.0424 -15.9352 -15.9352 -15.7222 -15.7221 -15.5496 -15.5495 -6.5274 -6.5257 -6.1712 -6.1687 -6.0276 -6.0276 -4.8297 -4.8054 -3.6934 -3.6423 -3.4379 -3.3952 -3.0941 -3.0819 -2.6929 -2.6812 -2.5422 -2.5243 -1.0952 -1.0918 -0.8980 -0.8919 0.0468 0.0661 0.2464 0.2605 0.4223 0.4259 0.5917 0.5934 1.0814 1.0854 1.1135 1.1168 2.0154 2.0157 2.4669 2.4681 7.4682 7.4703 8.1610 8.1631 8.7774 8.7857 9.0032 9.0142 9.7210 9.7257 k = 0.0233-0.0189 0.0292 ( 18392 PWs) bands (ev): -40.1903 -40.1903 -19.0517 -19.0517 -17.1185 -17.1185 -17.0428 -17.0428 -15.9350 -15.9350 -15.7217 -15.7216 -15.5499 -15.5498 -6.5200 -6.5188 -6.1777 -6.1760 -6.0282 -6.0282 -4.8261 -4.8098 -3.6862 -3.6519 -3.4300 -3.4013 -3.0917 -3.0835 -2.6907 -2.6829 -2.5387 -2.5266 -1.0930 -1.0906 -0.8986 -0.8944 0.0509 0.0640 0.2499 0.2596 0.4239 0.4264 0.5924 0.5935 1.0817 1.0844 1.1146 1.1168 2.0169 2.0171 2.4618 2.4626 7.4587 7.4601 8.1551 8.1565 8.7903 8.7966 8.9948 9.0029 9.7150 9.7181 k = 0.0116-0.0095 0.0146 ( 18395 PWs) bands (ev): -40.1903 -40.1903 -19.0519 -19.0519 -17.1183 -17.1183 -17.0430 -17.0430 -15.9348 -15.9348 -15.7213 -15.7213 -15.5500 -15.5500 -6.5153 -6.5147 -6.1817 -6.1808 -6.0285 -6.0285 -4.8223 -4.8141 -3.6784 -3.6612 -3.4224 -3.4079 -3.0895 -3.0853 -2.6886 -2.6847 -2.5353 -2.5293 -1.0913 -1.0902 -0.8985 -0.8964 0.0547 0.0614 0.2530 0.2580 0.4252 0.4264 0.5929 0.5935 1.0822 1.0835 1.1155 1.1165 2.0179 2.0180 2.4588 2.4592 7.4532 7.4538 8.1517 8.1524 8.7998 8.8032 8.9900 8.9944 9.7115 9.7130 k = 0.0000 0.0000 0.0000 ( 18399 PWs) bands (ev): -40.1903 -40.1903 -19.0519 -19.0519 -17.1182 -17.1182 -17.0431 -17.0431 -15.9348 -15.9348 -15.7212 -15.7212 -15.5500 -15.5500 -6.5135 -6.5135 -6.1828 -6.1828 -6.0285 -6.0285 -4.8183 -4.8183 -3.6700 -3.6700 -3.4150 -3.4150 -3.0873 -3.0873 -2.6866 -2.6866 -2.5322 -2.5322 -1.0904 -1.0904 -0.8978 -0.8978 0.0582 0.0582 0.2558 0.2558 0.4260 0.4260 0.5933 0.5933 1.0828 1.0828 1.1161 1.1161 2.0182 2.0182 2.4579 2.4579 7.4515 7.4515 8.1508 8.1508 8.8043 8.8043 8.9898 8.9898 9.7108 9.7108 Writing output data file CsLiH4SO5.save init_run : 2.13s CPU 1.61s WALL ( 1 calls) electrons : 1047.31s CPU 785.56s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.05s CPU 0.11s WALL ( 1 calls) Called by electrons: c_bands : 1047.30s CPU 785.55s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.60s CPU 0.35s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.78s CPU 0.76s WALL ( 284 calls) cegterg : 928.40s CPU 715.65s WALL ( 866 calls) Called by sum_band: Called by *egterg: h_psi : 717.84s CPU 467.13s WALL ( 15313 calls) s_psi : 24.85s CPU 22.49s WALL ( 15313 calls) g_psi : 1.56s CPU 1.66s WALL ( 14163 calls) cdiaghg : 140.13s CPU 139.94s WALL ( 14447 calls) cegterg:over : 43.52s CPU 43.29s WALL ( 14163 calls) cegterg:upda : 52.47s CPU 52.92s WALL ( 14163 calls) cegterg:last : 19.79s CPU 19.79s WALL ( 1718 calls) cdiaghg:chol : 7.98s CPU 8.13s WALL ( 14447 calls) cdiaghg:inve : 5.25s CPU 5.35s WALL ( 14447 calls) cdiaghg:para : 8.13s CPU 8.45s WALL ( 28894 calls) Called by h_psi: h_psi:vloc : 648.05s CPU 403.30s WALL ( 15313 calls) h_psi:vnl : 67.46s CPU 61.80s WALL ( 15313 calls) add_vuspsi : 34.92s CPU 31.73s WALL ( 15313 calls) General routines calbec : 32.45s CPU 30.01s WALL ( 15313 calls) fft : 0.08s CPU 0.08s WALL ( 15 calls) fftw : 621.08s CPU 378.75s WALL ( 1295200 calls) davcio : 0.74s CPU 8.21s WALL ( 568 calls) Parallel routines fft_scatter : 138.56s CPU 122.18s WALL ( 1295215 calls) PWSCF : 18m35.64s CPU 14m42.95s WALL This run was terminated on: 16: 7: 9 10Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=