Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:11:28 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors 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: ./BexB6Cx2.save/ file Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 170 63 17 9094 2056 300 Max 171 64 18 9097 2083 302 Sum 6127 2285 625 327439 74403 10817 bravais-lattice index = 14 lattice parameter (alat) = 9.8673 a.u. unit-cell volume = 754.2299 (a.u.)^3 number of atoms/cell = 15 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 81.0000 Ry charge density cutoff = 871.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.867335 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.421814 celldm(5)= 0.421814 celldm(6)= 0.421814 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.421814 0.906682 0.000000 ) a(3) = ( 0.421814 0.268988 0.865863 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.465228 -0.342633 ) b(2) = ( 0.000000 1.102922 -0.342633 ) b(3) = ( 0.000000 0.000000 1.154918 ) PseudoPot. # 1 for Be read from file: /users/gautes/Pseudo/Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 56f92c253d4d86db330921f37562b9e7 Pseudo is Ultrasoft, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1041 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for B read from file: /users/gautes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Be 4.00 9.01220 Be( 1.00) B 3.00 10.81100 B( 1.00) C 4.00 12.01070 C( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 265 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 2) = ( 0.0142857 -0.0066461 -0.0048948), wk = 0.0037736 k( 3) = ( 0.0285714 -0.0132922 -0.0097895), wk = 0.0037736 k( 4) = ( 0.0428571 -0.0199384 -0.0146843), wk = 0.0037736 k( 5) = ( 0.0571429 -0.0265845 -0.0195790), wk = 0.0037736 k( 6) = ( 0.0714286 -0.0332306 -0.0244738), wk = 0.0037736 k( 7) = ( 0.0857143 -0.0398767 -0.0293686), wk = 0.0037736 k( 8) = ( 0.1000000 -0.0465228 -0.0342633), wk = 0.0037736 k( 9) = ( 0.1142857 -0.0531689 -0.0391581), wk = 0.0037736 k( 10) = ( 0.1285714 -0.0598151 -0.0440528), wk = 0.0037736 k( 11) = ( 0.1428571 -0.0664612 -0.0489476), wk = 0.0037736 k( 12) = ( 0.1571429 -0.0731073 -0.0538424), wk = 0.0037736 k( 13) = ( 0.1714286 -0.0797534 -0.0587371), wk = 0.0037736 k( 14) = ( 0.1857143 -0.0863995 -0.0636319), wk = 0.0037736 k( 15) = ( 0.2000000 -0.0930456 -0.0685266), wk = 0.0037736 k( 16) = ( 0.2142857 -0.0996918 -0.0734214), wk = 0.0037736 k( 17) = ( 0.2285714 -0.1063379 -0.0783161), wk = 0.0037736 k( 18) = ( 0.2428571 -0.1129840 -0.0832109), wk = 0.0037736 k( 19) = ( 0.2571429 -0.1196301 -0.0881057), wk = 0.0037736 k( 20) = ( 0.2714286 -0.1262762 -0.0930004), wk = 0.0037736 k( 21) = ( 0.2857143 -0.1329223 -0.0978952), wk = 0.0037736 k( 22) = ( 0.3000000 -0.1395685 -0.1027899), wk = 0.0037736 k( 23) = ( 0.3142857 -0.1462146 -0.1076847), wk = 0.0037736 k( 24) = ( 0.3285714 -0.1528607 -0.1125795), wk = 0.0037736 k( 25) = ( 0.3428571 -0.1595068 -0.1174742), wk = 0.0037736 k( 26) = ( 0.3571429 -0.1661529 -0.1223690), wk = 0.0037736 k( 27) = ( 0.3714286 -0.1727991 -0.1272637), wk = 0.0037736 k( 28) = ( 0.3857143 -0.1794452 -0.1321585), wk = 0.0037736 k( 29) = ( 0.4000000 -0.1860913 -0.1370533), wk = 0.0037736 k( 30) = ( 0.4142857 -0.1927374 -0.1419480), wk = 0.0037736 k( 31) = ( 0.4285714 -0.1993835 -0.1468428), wk = 0.0037736 k( 32) = ( 0.4428571 -0.2060296 -0.1517375), wk = 0.0037736 k( 33) = ( 0.4571429 -0.2126758 -0.1566323), wk = 0.0037736 k( 34) = ( 0.4714286 -0.2193219 -0.1615270), wk = 0.0037736 k( 35) = ( 0.4857143 -0.2259680 -0.1664218), wk = 0.0037736 k( 36) = ( 0.5000000 -0.2326141 -0.1713166), wk = 0.0037736 k( 37) = ( 0.5000000 -0.2326141 -0.1713166), wk = 0.0037736 k( 38) = ( 0.5000000 -0.2229652 -0.1844179), wk = 0.0037736 k( 39) = ( 0.5000000 -0.2133162 -0.1975193), wk = 0.0037736 k( 40) = ( 0.5000000 -0.2036673 -0.2106207), wk = 0.0037736 k( 41) = ( 0.5000000 -0.1940183 -0.2237220), wk = 0.0037736 k( 42) = ( 0.5000000 -0.1843694 -0.2368234), wk = 0.0037736 k( 43) = ( 0.5000000 -0.1747204 -0.2499247), wk = 0.0037736 k( 44) = ( 0.5000000 -0.1650715 -0.2630261), wk = 0.0037736 k( 45) = ( 0.5000000 -0.1554226 -0.2761275), wk = 0.0037736 k( 46) = ( 0.5000000 -0.1457736 -0.2892288), wk = 0.0037736 k( 47) = ( 0.5000000 -0.1361247 -0.3023302), wk = 0.0037736 k( 48) = ( 0.5000000 -0.1264757 -0.3154316), wk = 0.0037736 k( 49) = ( 0.5000000 -0.1168268 -0.3285329), wk = 0.0037736 k( 50) = ( 0.5000000 -0.1071778 -0.3416343), wk = 0.0037736 k( 51) = ( 0.5000000 -0.0975289 -0.3547357), wk = 0.0037736 k( 52) = ( 0.5000000 -0.0878799 -0.3678370), wk = 0.0037736 k( 53) = ( 0.5000000 -0.0782310 -0.3809384), wk = 0.0037736 k( 54) = ( 0.5000000 -0.0685821 -0.3940397), wk = 0.0037736 k( 55) = ( 0.5000000 -0.0589331 -0.4071411), wk = 0.0037736 k( 56) = ( 0.5000000 -0.0492842 -0.4202425), wk = 0.0037736 k( 57) = ( 0.5000000 -0.0396352 -0.4333438), wk = 0.0037736 k( 58) = ( 0.5000000 -0.0299863 -0.4464452), wk = 0.0037736 k( 59) = ( 0.5000000 -0.0203373 -0.4595466), wk = 0.0037736 k( 60) = ( 0.5000000 -0.0106884 -0.4726479), wk = 0.0037736 k( 61) = ( 0.5000000 -0.0010395 -0.4857493), wk = 0.0037736 k( 62) = ( 0.5000000 0.0086095 -0.4988506), wk = 0.0037736 k( 63) = ( 0.5000000 0.0182584 -0.5119520), wk = 0.0037736 k( 64) = ( 0.5000000 0.0279074 -0.5250534), wk = 0.0037736 k( 65) = ( 0.5000000 0.0375563 -0.5381547), wk = 0.0037736 k( 66) = ( 0.5000000 0.0472053 -0.5512561), wk = 0.0037736 k( 67) = ( 0.5000000 0.0568542 -0.5643575), wk = 0.0037736 k( 68) = ( 0.5000000 0.0665032 -0.5774588), wk = 0.0037736 k( 69) = ( 0.7287957 0.2124048 -0.1078074), wk = 0.0037736 k( 70) = ( 0.7199958 0.2164987 -0.0946293), wk = 0.0037736 k( 71) = ( 0.7111960 0.2205926 -0.0814510), wk = 0.0037736 k( 72) = ( 0.7023962 0.2246866 -0.0682729), wk = 0.0037736 k( 73) = ( 0.6935963 0.2287805 -0.0550947), wk = 0.0037736 k( 74) = ( 0.6847965 0.2328744 -0.0419165), wk = 0.0037736 k( 75) = ( 0.6759967 0.2369684 -0.0287383), wk = 0.0037736 k( 76) = ( 0.6671968 0.2410623 -0.0155601), wk = 0.0037736 k( 77) = ( 0.6583970 0.2451562 -0.0023819), wk = 0.0037736 k( 78) = ( 0.6495972 0.2492501 0.0107963), wk = 0.0037736 k( 79) = ( 0.6407973 0.2533441 0.0239745), wk = 0.0037736 k( 80) = ( 0.6319975 0.2574380 0.0371527), wk = 0.0037736 k( 81) = ( 0.6231977 0.2615319 0.0503309), wk = 0.0037736 k( 82) = ( 0.6143978 0.2656259 0.0635091), wk = 0.0037736 k( 83) = ( 0.6055980 0.2697198 0.0766873), wk = 0.0037736 k( 84) = ( 0.5967982 0.2738137 0.0898655), wk = 0.0037736 k( 85) = ( 0.5879983 0.2779077 0.1030437), wk = 0.0037736 k( 86) = ( 0.5791985 0.2820016 0.1162219), wk = 0.0037736 k( 87) = ( 0.5703987 0.2860955 0.1294001), wk = 0.0037736 k( 88) = ( 0.5615988 0.2901895 0.1425783), wk = 0.0037736 k( 89) = ( 0.5527990 0.2942834 0.1557565), wk = 0.0037736 k( 90) = ( 0.5439992 0.2983773 0.1689347), wk = 0.0037736 k( 91) = ( 0.5351993 0.3024713 0.1821129), wk = 0.0037736 k( 92) = ( 0.5263995 0.3065652 0.1952911), wk = 0.0037736 k( 93) = ( 0.5175997 0.3106591 0.2084693), wk = 0.0037736 k( 94) = ( 0.5087998 0.3147530 0.2216475), wk = 0.0037736 k( 95) = ( 0.5000000 0.3188470 0.2348257), wk = 0.0037736 k( 96) = ( 0.5000000 0.3188470 0.2348257), wk = 0.0037736 k( 97) = ( 0.4871795 0.3106714 0.2288045), wk = 0.0037736 k( 98) = ( 0.4743590 0.3024958 0.2227833), wk = 0.0037736 k( 99) = ( 0.4615385 0.2943203 0.2167622), wk = 0.0037736 k( 100) = ( 0.4487179 0.2861447 0.2107410), wk = 0.0037736 k( 101) = ( 0.4358974 0.2779692 0.2047198), wk = 0.0037736 k( 102) = ( 0.4230769 0.2697936 0.1986987), wk = 0.0037736 k( 103) = ( 0.4102564 0.2616180 0.1926775), wk = 0.0037736 k( 104) = ( 0.3974359 0.2534425 0.1866563), wk = 0.0037736 k( 105) = ( 0.3846154 0.2452669 0.1806351), wk = 0.0037736 k( 106) = ( 0.3717949 0.2370913 0.1746140), wk = 0.0037736 k( 107) = ( 0.3589744 0.2289158 0.1685928), wk = 0.0037736 k( 108) = ( 0.3461538 0.2207402 0.1625716), wk = 0.0037736 k( 109) = ( 0.3333333 0.2125646 0.1565505), wk = 0.0037736 k( 110) = ( 0.3205128 0.2043891 0.1505293), wk = 0.0037736 k( 111) = ( 0.3076923 0.1962135 0.1445081), wk = 0.0037736 k( 112) = ( 0.2948718 0.1880380 0.1384869), wk = 0.0037736 k( 113) = ( 0.2820513 0.1798624 0.1324658), wk = 0.0037736 k( 114) = ( 0.2692308 0.1716868 0.1264446), wk = 0.0037736 k( 115) = ( 0.2564103 0.1635113 0.1204234), wk = 0.0037736 k( 116) = ( 0.2435897 0.1553357 0.1144023), wk = 0.0037736 k( 117) = ( 0.2307692 0.1471601 0.1083811), wk = 0.0037736 k( 118) = ( 0.2179487 0.1389846 0.1023599), wk = 0.0037736 k( 119) = ( 0.2051282 0.1308090 0.0963387), wk = 0.0037736 k( 120) = ( 0.1923077 0.1226334 0.0903176), wk = 0.0037736 k( 121) = ( 0.1794872 0.1144579 0.0842964), wk = 0.0037736 k( 122) = ( 0.1666667 0.1062823 0.0782752), wk = 0.0037736 k( 123) = ( 0.1538461 0.0981068 0.0722541), wk = 0.0037736 k( 124) = ( 0.1410256 0.0899312 0.0662329), wk = 0.0037736 k( 125) = ( 0.1282051 0.0817556 0.0602117), wk = 0.0037736 k( 126) = ( 0.1153846 0.0735801 0.0541905), wk = 0.0037736 k( 127) = ( 0.1025641 0.0654045 0.0481694), wk = 0.0037736 k( 128) = ( 0.0897436 0.0572289 0.0421482), wk = 0.0037736 k( 129) = ( 0.0769231 0.0490534 0.0361270), wk = 0.0037736 k( 130) = ( 0.0641026 0.0408778 0.0301059), wk = 0.0037736 k( 131) = ( 0.0512821 0.0327023 0.0240847), wk = 0.0037736 k( 132) = ( 0.0384615 0.0245267 0.0180635), wk = 0.0037736 k( 133) = ( 0.0256410 0.0163511 0.0120423), wk = 0.0037736 k( 134) = ( 0.0128205 0.0081756 0.0060212), wk = 0.0037736 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 137) = ( 0.0087637 -0.0040771 -0.0131241), wk = 0.0037736 k( 138) = ( 0.0175274 -0.0081542 -0.0262481), wk = 0.0037736 k( 139) = ( 0.0262911 -0.0122313 -0.0393722), wk = 0.0037736 k( 140) = ( 0.0350547 -0.0163085 -0.0524963), wk = 0.0037736 k( 141) = ( 0.0438184 -0.0203856 -0.0656203), wk = 0.0037736 k( 142) = ( 0.0525821 -0.0244627 -0.0787444), wk = 0.0037736 k( 143) = ( 0.0613458 -0.0285398 -0.0918685), wk = 0.0037736 k( 144) = ( 0.0701095 -0.0326169 -0.1049925), wk = 0.0037736 k( 145) = ( 0.0788732 -0.0366940 -0.1181166), wk = 0.0037736 k( 146) = ( 0.0876369 -0.0407711 -0.1312406), wk = 0.0037736 k( 147) = ( 0.0964005 -0.0448483 -0.1443647), wk = 0.0037736 k( 148) = ( 0.1051642 -0.0489254 -0.1574888), wk = 0.0037736 k( 149) = ( 0.1139279 -0.0530025 -0.1706128), wk = 0.0037736 k( 150) = ( 0.1226916 -0.0570796 -0.1837369), wk = 0.0037736 k( 151) = ( 0.1314553 -0.0611567 -0.1968610), wk = 0.0037736 k( 152) = ( 0.1402190 -0.0652338 -0.2099850), wk = 0.0037736 k( 153) = ( 0.1489826 -0.0693109 -0.2231091), wk = 0.0037736 k( 154) = ( 0.1577463 -0.0733880 -0.2362332), wk = 0.0037736 k( 155) = ( 0.1665100 -0.0774652 -0.2493572), wk = 0.0037736 k( 156) = ( 0.1752737 -0.0815423 -0.2624813), wk = 0.0037736 k( 157) = ( 0.1840374 -0.0856194 -0.2756054), wk = 0.0037736 k( 158) = ( 0.1928011 -0.0896965 -0.2887294), wk = 0.0037736 k( 159) = ( 0.2015648 -0.0937736 -0.3018535), wk = 0.0037736 k( 160) = ( 0.2103285 -0.0978507 -0.3149775), wk = 0.0037736 k( 161) = ( 0.2190921 -0.1019278 -0.3281016), wk = 0.0037736 k( 162) = ( 0.2278558 -0.1060050 -0.3412257), wk = 0.0037736 k( 163) = ( 0.2366195 -0.1100821 -0.3543497), wk = 0.0037736 k( 164) = ( 0.2453832 -0.1141592 -0.3674738), wk = 0.0037736 k( 165) = ( 0.2541469 -0.1182363 -0.3805979), wk = 0.0037736 k( 166) = ( 0.2629106 -0.1223134 -0.3937219), wk = 0.0037736 k( 167) = ( 0.2716743 -0.1263905 -0.4068460), wk = 0.0037736 k( 168) = ( 0.2804379 -0.1304676 -0.4199701), wk = 0.0037736 k( 169) = ( 0.2892016 -0.1345448 -0.4330941), wk = 0.0037736 k( 170) = ( 0.2979653 -0.1386219 -0.4462182), wk = 0.0037736 k( 171) = ( 0.3067290 -0.1426990 -0.4593423), wk = 0.0037736 k( 172) = ( 0.3154927 -0.1467761 -0.4724663), wk = 0.0037736 k( 173) = ( 0.3242564 -0.1508532 -0.4855904), wk = 0.0037736 k( 174) = ( 0.3330201 -0.1549303 -0.4987144), wk = 0.0037736 k( 175) = ( 0.3417837 -0.1590074 -0.5118385), wk = 0.0037736 k( 176) = ( 0.3505474 -0.1630846 -0.5249626), wk = 0.0037736 k( 177) = ( 0.3593111 -0.1671617 -0.5380866), wk = 0.0037736 k( 178) = ( 0.3680748 -0.1712388 -0.5512107), wk = 0.0037736 k( 179) = ( 0.3768385 -0.1753159 -0.5643348), wk = 0.0037736 k( 180) = ( 0.3856022 -0.1793930 -0.5774588), wk = 0.0037736 k( 181) = ( 0.6143978 0.1394540 -0.3426331), wk = 0.0037736 k( 182) = ( 0.6055980 0.1532534 -0.3426331), wk = 0.0037736 k( 183) = ( 0.5967982 0.1670529 -0.3426331), wk = 0.0037736 k( 184) = ( 0.5879983 0.1808524 -0.3426331), wk = 0.0037736 k( 185) = ( 0.5791985 0.1946518 -0.3426331), wk = 0.0037736 k( 186) = ( 0.5703987 0.2084513 -0.3426331), wk = 0.0037736 k( 187) = ( 0.5615988 0.2222507 -0.3426331), wk = 0.0037736 k( 188) = ( 0.5527990 0.2360502 -0.3426331), wk = 0.0037736 k( 189) = ( 0.5439992 0.2498497 -0.3426331), wk = 0.0037736 k( 190) = ( 0.5351993 0.2636491 -0.3426331), wk = 0.0037736 k( 191) = ( 0.5263995 0.2774486 -0.3426331), wk = 0.0037736 k( 192) = ( 0.5175997 0.2912480 -0.3426331), wk = 0.0037736 k( 193) = ( 0.5087998 0.3050475 -0.3426331), wk = 0.0037736 k( 194) = ( 0.5000000 0.3188470 -0.3426331), wk = 0.0037736 k( 195) = ( 0.5000000 0.3188470 -0.3426331), wk = 0.0037736 k( 196) = ( 0.5067293 0.3231382 -0.3288198), wk = 0.0037736 k( 197) = ( 0.5134586 0.3274294 -0.3150066), wk = 0.0037736 k( 198) = ( 0.5201879 0.3317206 -0.3011933), wk = 0.0037736 k( 199) = ( 0.5269171 0.3360119 -0.2873800), wk = 0.0037736 k( 200) = ( 0.5336464 0.3403031 -0.2735667), wk = 0.0037736 k( 201) = ( 0.5403757 0.3445943 -0.2597535), wk = 0.0037736 k( 202) = ( 0.5471050 0.3488855 -0.2459402), wk = 0.0037736 k( 203) = ( 0.5538343 0.3531768 -0.2321269), wk = 0.0037736 k( 204) = ( 0.5605636 0.3574680 -0.2183137), wk = 0.0037736 k( 205) = ( 0.5672928 0.3617592 -0.2045004), wk = 0.0037736 k( 206) = ( 0.5740221 0.3660504 -0.1906871), wk = 0.0037736 k( 207) = ( 0.5807514 0.3703417 -0.1768738), wk = 0.0037736 k( 208) = ( 0.5874807 0.3746329 -0.1630605), wk = 0.0037736 k( 209) = ( 0.5942100 0.3789241 -0.1492473), wk = 0.0037736 k( 210) = ( 0.6009393 0.3832153 -0.1354340), wk = 0.0037736 k( 211) = ( 0.6076685 0.3875066 -0.1216207), wk = 0.0037736 k( 212) = ( 0.6143978 0.3917978 -0.1078074), wk = 0.0037736 k( 213) = ( 0.6143978 0.3917978 -0.1078074), wk = 0.0037736 k( 214) = ( 0.6094240 0.3886260 -0.0929104), wk = 0.0037736 k( 215) = ( 0.6044502 0.3854542 -0.0780133), wk = 0.0037736 k( 216) = ( 0.5994764 0.3822825 -0.0631162), wk = 0.0037736 k( 217) = ( 0.5945026 0.3791107 -0.0482191), wk = 0.0037736 k( 218) = ( 0.5895287 0.3759389 -0.0333220), wk = 0.0037736 k( 219) = ( 0.5845549 0.3727671 -0.0184249), wk = 0.0037736 k( 220) = ( 0.5795811 0.3695954 -0.0035278), wk = 0.0037736 k( 221) = ( 0.5746073 0.3664236 0.0113693), wk = 0.0037736 k( 222) = ( 0.5696335 0.3632518 0.0262664), wk = 0.0037736 k( 223) = ( 0.5646596 0.3600800 0.0411635), wk = 0.0037736 k( 224) = ( 0.5596858 0.3569083 0.0560606), wk = 0.0037736 k( 225) = ( 0.5547120 0.3537365 0.0709577), wk = 0.0037736 k( 226) = ( 0.5497382 0.3505647 0.0858548), wk = 0.0037736 k( 227) = ( 0.5447644 0.3473929 0.1007519), wk = 0.0037736 k( 228) = ( 0.5397905 0.3442212 0.1156490), wk = 0.0037736 k( 229) = ( 0.5348167 0.3410494 0.1305460), wk = 0.0037736 k( 230) = ( 0.5298429 0.3378776 0.1454431), wk = 0.0037736 k( 231) = ( 0.5248691 0.3347058 0.1603402), wk = 0.0037736 k( 232) = ( 0.5198953 0.3315341 0.1752373), wk = 0.0037736 k( 233) = ( 0.5149215 0.3283623 0.1901344), wk = 0.0037736 k( 234) = ( 0.5099476 0.3251905 0.2050315), wk = 0.0037736 k( 235) = ( 0.5049738 0.3220187 0.2199286), wk = 0.0037736 k( 236) = ( 0.5000000 0.3188470 0.2348257), wk = 0.0037736 k( 237) = ( 0.5000000 -0.2326141 -0.1713166), wk = 0.0037736 k( 238) = ( 0.5081713 -0.2212267 -0.1629299), wk = 0.0037736 k( 239) = ( 0.5163425 -0.2098393 -0.1545433), wk = 0.0037736 k( 240) = ( 0.5245138 -0.1984519 -0.1461567), wk = 0.0037736 k( 241) = ( 0.5326851 -0.1870645 -0.1377700), wk = 0.0037736 k( 242) = ( 0.5408564 -0.1756771 -0.1293834), wk = 0.0037736 k( 243) = ( 0.5490276 -0.1642897 -0.1209968), wk = 0.0037736 k( 244) = ( 0.5571989 -0.1529024 -0.1126101), wk = 0.0037736 k( 245) = ( 0.5653702 -0.1415150 -0.1042235), wk = 0.0037736 k( 246) = ( 0.5735415 -0.1301276 -0.0958369), wk = 0.0037736 k( 247) = ( 0.5817127 -0.1187402 -0.0874502), wk = 0.0037736 k( 248) = ( 0.5898840 -0.1073528 -0.0790636), wk = 0.0037736 k( 249) = ( 0.5980553 -0.0959654 -0.0706770), wk = 0.0037736 k( 250) = ( 0.6062266 -0.0845780 -0.0622903), wk = 0.0037736 k( 251) = ( 0.6143978 -0.0731906 -0.0539037), wk = 0.0037736 k( 252) = ( 0.6225691 -0.0618032 -0.0455171), wk = 0.0037736 k( 253) = ( 0.6307404 -0.0504158 -0.0371305), wk = 0.0037736 k( 254) = ( 0.6389117 -0.0390284 -0.0287438), wk = 0.0037736 k( 255) = ( 0.6470829 -0.0276410 -0.0203572), wk = 0.0037736 k( 256) = ( 0.6552542 -0.0162537 -0.0119706), wk = 0.0037736 k( 257) = ( 0.6634255 -0.0048663 -0.0035839), wk = 0.0037736 k( 258) = ( 0.6715967 0.0065211 0.0048027), wk = 0.0037736 k( 259) = ( 0.6797680 0.0179085 0.0131893), wk = 0.0037736 k( 260) = ( 0.6879393 0.0292959 0.0215760), wk = 0.0037736 k( 261) = ( 0.6961106 0.0406833 0.0299626), wk = 0.0037736 k( 262) = ( 0.7042818 0.0520707 0.0383492), wk = 0.0037736 k( 263) = ( 0.7124531 0.0634581 0.0467359), wk = 0.0037736 k( 264) = ( 0.7206244 0.0748455 0.0551225), wk = 0.0037736 k( 265) = ( 0.7287957 0.0862329 0.0635091), wk = 0.0037736 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 2) = ( 0.0142857 -0.0000000 -0.0000000), wk = 0.0037736 k( 3) = ( 0.0285714 0.0000000 -0.0000000), wk = 0.0037736 k( 4) = ( 0.0428571 -0.0000000 -0.0000000), wk = 0.0037736 k( 5) = ( 0.0571429 0.0000000 -0.0000000), wk = 0.0037736 k( 6) = ( 0.0714286 -0.0000000 -0.0000000), wk = 0.0037736 k( 7) = ( 0.0857143 -0.0000000 -0.0000000), wk = 0.0037736 k( 8) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0037736 k( 9) = ( 0.1142857 0.0000000 -0.0000000), wk = 0.0037736 k( 10) = ( 0.1285714 0.0000000 -0.0000000), wk = 0.0037736 k( 11) = ( 0.1428571 -0.0000000 -0.0000000), wk = 0.0037736 k( 12) = ( 0.1571429 0.0000000 -0.0000000), wk = 0.0037736 k( 13) = ( 0.1714286 -0.0000000 -0.0000000), wk = 0.0037736 k( 14) = ( 0.1857143 -0.0000000 -0.0000000), wk = 0.0037736 k( 15) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0037736 k( 16) = ( 0.2142857 -0.0000000 0.0000000), wk = 0.0037736 k( 17) = ( 0.2285714 -0.0000000 -0.0000000), wk = 0.0037736 k( 18) = ( 0.2428571 -0.0000000 -0.0000000), wk = 0.0037736 k( 19) = ( 0.2571429 0.0000000 -0.0000000), wk = 0.0037736 k( 20) = ( 0.2714286 -0.0000000 -0.0000000), wk = 0.0037736 k( 21) = ( 0.2857143 -0.0000000 -0.0000000), wk = 0.0037736 k( 22) = ( 0.3000000 0.0000000 -0.0000000), wk = 0.0037736 k( 23) = ( 0.3142857 -0.0000000 -0.0000000), wk = 0.0037736 k( 24) = ( 0.3285714 0.0000000 -0.0000000), wk = 0.0037736 k( 25) = ( 0.3428571 -0.0000000 -0.0000000), wk = 0.0037736 k( 26) = ( 0.3571429 -0.0000000 -0.0000000), wk = 0.0037736 k( 27) = ( 0.3714286 -0.0000000 -0.0000000), wk = 0.0037736 k( 28) = ( 0.3857143 0.0000000 -0.0000000), wk = 0.0037736 k( 29) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0037736 k( 30) = ( 0.4142857 -0.0000000 -0.0000000), wk = 0.0037736 k( 31) = ( 0.4285714 0.0000000 -0.0000000), wk = 0.0037736 k( 32) = ( 0.4428571 -0.0000000 -0.0000000), wk = 0.0037736 k( 33) = ( 0.4571429 -0.0000000 -0.0000000), wk = 0.0037736 k( 34) = ( 0.4714286 -0.0000000 -0.0000000), wk = 0.0037736 k( 35) = ( 0.4857143 0.0000000 -0.0000000), wk = 0.0037736 k( 36) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0037736 k( 37) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0037736 k( 38) = ( 0.5000000 0.0087485 -0.0087485), wk = 0.0037736 k( 39) = ( 0.5000000 0.0174970 -0.0174971), wk = 0.0037736 k( 40) = ( 0.5000000 0.0262456 -0.0262456), wk = 0.0037736 k( 41) = ( 0.5000000 0.0349941 -0.0349941), wk = 0.0037736 k( 42) = ( 0.5000000 0.0437426 -0.0437426), wk = 0.0037736 k( 43) = ( 0.5000000 0.0524912 -0.0524912), wk = 0.0037736 k( 44) = ( 0.5000000 0.0612397 -0.0612397), wk = 0.0037736 k( 45) = ( 0.5000000 0.0699882 -0.0699882), wk = 0.0037736 k( 46) = ( 0.5000000 0.0787367 -0.0787367), wk = 0.0037736 k( 47) = ( 0.5000000 0.0874853 -0.0874853), wk = 0.0037736 k( 48) = ( 0.5000000 0.0962338 -0.0962338), wk = 0.0037736 k( 49) = ( 0.5000000 0.1049823 -0.1049823), wk = 0.0037736 k( 50) = ( 0.5000000 0.1137308 -0.1137309), wk = 0.0037736 k( 51) = ( 0.5000000 0.1224794 -0.1224794), wk = 0.0037736 k( 52) = ( 0.5000000 0.1312279 -0.1312279), wk = 0.0037736 k( 53) = ( 0.5000000 0.1399764 -0.1399764), wk = 0.0037736 k( 54) = ( 0.5000000 0.1487250 -0.1487250), wk = 0.0037736 k( 55) = ( 0.5000000 0.1574735 -0.1574735), wk = 0.0037736 k( 56) = ( 0.5000000 0.1662220 -0.1662220), wk = 0.0037736 k( 57) = ( 0.5000000 0.1749705 -0.1749705), wk = 0.0037736 k( 58) = ( 0.5000000 0.1837191 -0.1837191), wk = 0.0037736 k( 59) = ( 0.5000000 0.1924676 -0.1924676), wk = 0.0037736 k( 60) = ( 0.5000000 0.2012161 -0.2012161), wk = 0.0037736 k( 61) = ( 0.5000000 0.2099646 -0.2099646), wk = 0.0037736 k( 62) = ( 0.5000000 0.2187132 -0.2187132), wk = 0.0037736 k( 63) = ( 0.5000000 0.2274617 -0.2274617), wk = 0.0037736 k( 64) = ( 0.5000000 0.2362102 -0.2362102), wk = 0.0037736 k( 65) = ( 0.5000000 0.2449587 -0.2449588), wk = 0.0037736 k( 66) = ( 0.5000000 0.2537073 -0.2537073), wk = 0.0037736 k( 67) = ( 0.5000000 0.2624558 -0.2624558), wk = 0.0037736 k( 68) = ( 0.5000000 0.2712043 -0.2712043), wk = 0.0037736 k( 69) = ( 0.7287957 0.5000000 0.2712043), wk = 0.0037736 k( 70) = ( 0.7199958 0.5000000 0.2800042), wk = 0.0037736 k( 71) = ( 0.7111960 0.5000000 0.2888040), wk = 0.0037736 k( 72) = ( 0.7023962 0.5000000 0.2976038), wk = 0.0037736 k( 73) = ( 0.6935963 0.5000000 0.3064037), wk = 0.0037736 k( 74) = ( 0.6847965 0.5000000 0.3152035), wk = 0.0037736 k( 75) = ( 0.6759967 0.5000000 0.3240033), wk = 0.0037736 k( 76) = ( 0.6671968 0.5000000 0.3328032), wk = 0.0037736 k( 77) = ( 0.6583970 0.5000000 0.3416030), wk = 0.0037736 k( 78) = ( 0.6495972 0.5000000 0.3504028), wk = 0.0037736 k( 79) = ( 0.6407973 0.5000000 0.3592027), wk = 0.0037736 k( 80) = ( 0.6319975 0.5000000 0.3680025), wk = 0.0037736 k( 81) = ( 0.6231977 0.5000000 0.3768023), wk = 0.0037736 k( 82) = ( 0.6143978 0.5000000 0.3856022), wk = 0.0037736 k( 83) = ( 0.6055980 0.5000000 0.3944020), wk = 0.0037736 k( 84) = ( 0.5967982 0.5000000 0.4032018), wk = 0.0037736 k( 85) = ( 0.5879983 0.5000000 0.4120017), wk = 0.0037736 k( 86) = ( 0.5791985 0.5000000 0.4208015), wk = 0.0037736 k( 87) = ( 0.5703987 0.5000000 0.4296013), wk = 0.0037736 k( 88) = ( 0.5615988 0.5000000 0.4384012), wk = 0.0037736 k( 89) = ( 0.5527990 0.5000000 0.4472010), wk = 0.0037736 k( 90) = ( 0.5439992 0.5000000 0.4560008), wk = 0.0037736 k( 91) = ( 0.5351993 0.5000000 0.4648007), wk = 0.0037736 k( 92) = ( 0.5263995 0.5000000 0.4736005), wk = 0.0037736 k( 93) = ( 0.5175997 0.5000000 0.4824003), wk = 0.0037736 k( 94) = ( 0.5087998 0.5000000 0.4912002), wk = 0.0037736 k( 95) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037736 k( 96) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037736 k( 97) = ( 0.4871795 0.4871795 0.4871795), wk = 0.0037736 k( 98) = ( 0.4743590 0.4743590 0.4743590), wk = 0.0037736 k( 99) = ( 0.4615385 0.4615385 0.4615385), wk = 0.0037736 k( 100) = ( 0.4487179 0.4487179 0.4487179), wk = 0.0037736 k( 101) = ( 0.4358974 0.4358974 0.4358974), wk = 0.0037736 k( 102) = ( 0.4230769 0.4230769 0.4230769), wk = 0.0037736 k( 103) = ( 0.4102564 0.4102564 0.4102564), wk = 0.0037736 k( 104) = ( 0.3974359 0.3974359 0.3974359), wk = 0.0037736 k( 105) = ( 0.3846154 0.3846154 0.3846154), wk = 0.0037736 k( 106) = ( 0.3717949 0.3717949 0.3717949), wk = 0.0037736 k( 107) = ( 0.3589744 0.3589744 0.3589744), wk = 0.0037736 k( 108) = ( 0.3461538 0.3461538 0.3461538), wk = 0.0037736 k( 109) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0037736 k( 110) = ( 0.3205128 0.3205128 0.3205128), wk = 0.0037736 k( 111) = ( 0.3076923 0.3076923 0.3076923), wk = 0.0037736 k( 112) = ( 0.2948718 0.2948718 0.2948718), wk = 0.0037736 k( 113) = ( 0.2820513 0.2820513 0.2820513), wk = 0.0037736 k( 114) = ( 0.2692308 0.2692308 0.2692308), wk = 0.0037736 k( 115) = ( 0.2564103 0.2564103 0.2564103), wk = 0.0037736 k( 116) = ( 0.2435897 0.2435897 0.2435897), wk = 0.0037736 k( 117) = ( 0.2307692 0.2307692 0.2307692), wk = 0.0037736 k( 118) = ( 0.2179487 0.2179487 0.2179487), wk = 0.0037736 k( 119) = ( 0.2051282 0.2051282 0.2051282), wk = 0.0037736 k( 120) = ( 0.1923077 0.1923077 0.1923077), wk = 0.0037736 k( 121) = ( 0.1794872 0.1794872 0.1794872), wk = 0.0037736 k( 122) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0037736 k( 123) = ( 0.1538461 0.1538461 0.1538461), wk = 0.0037736 k( 124) = ( 0.1410256 0.1410256 0.1410256), wk = 0.0037736 k( 125) = ( 0.1282051 0.1282051 0.1282051), wk = 0.0037736 k( 126) = ( 0.1153846 0.1153846 0.1153846), wk = 0.0037736 k( 127) = ( 0.1025641 0.1025641 0.1025641), wk = 0.0037736 k( 128) = ( 0.0897436 0.0897436 0.0897436), wk = 0.0037736 k( 129) = ( 0.0769231 0.0769231 0.0769231), wk = 0.0037736 k( 130) = ( 0.0641026 0.0641026 0.0641026), wk = 0.0037736 k( 131) = ( 0.0512821 0.0512821 0.0512821), wk = 0.0037736 k( 132) = ( 0.0384615 0.0384615 0.0384615), wk = 0.0037736 k( 133) = ( 0.0256410 0.0256410 0.0256410), wk = 0.0037736 k( 134) = ( 0.0128205 0.0128205 0.0128205), wk = 0.0037736 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 137) = ( 0.0087637 -0.0000000 -0.0087637), wk = 0.0037736 k( 138) = ( 0.0175274 0.0000000 -0.0175274), wk = 0.0037736 k( 139) = ( 0.0262911 -0.0000000 -0.0262911), wk = 0.0037736 k( 140) = ( 0.0350547 0.0000000 -0.0350547), wk = 0.0037736 k( 141) = ( 0.0438184 0.0000000 -0.0438184), wk = 0.0037736 k( 142) = ( 0.0525821 -0.0000000 -0.0525821), wk = 0.0037736 k( 143) = ( 0.0613458 -0.0000000 -0.0613458), wk = 0.0037736 k( 144) = ( 0.0701095 0.0000000 -0.0701095), wk = 0.0037736 k( 145) = ( 0.0788732 0.0000000 -0.0788732), wk = 0.0037736 k( 146) = ( 0.0876369 0.0000000 -0.0876369), wk = 0.0037736 k( 147) = ( 0.0964005 -0.0000000 -0.0964005), wk = 0.0037736 k( 148) = ( 0.1051642 0.0000000 -0.1051642), wk = 0.0037736 k( 149) = ( 0.1139279 -0.0000000 -0.1139279), wk = 0.0037736 k( 150) = ( 0.1226916 -0.0000000 -0.1226916), wk = 0.0037736 k( 151) = ( 0.1314553 -0.0000000 -0.1314553), wk = 0.0037736 k( 152) = ( 0.1402190 0.0000000 -0.1402190), wk = 0.0037736 k( 153) = ( 0.1489826 -0.0000000 -0.1489826), wk = 0.0037736 k( 154) = ( 0.1577463 0.0000000 -0.1577463), wk = 0.0037736 k( 155) = ( 0.1665100 -0.0000000 -0.1665100), wk = 0.0037736 k( 156) = ( 0.1752737 0.0000000 -0.1752737), wk = 0.0037736 k( 157) = ( 0.1840374 0.0000000 -0.1840374), wk = 0.0037736 k( 158) = ( 0.1928011 -0.0000000 -0.1928011), wk = 0.0037736 k( 159) = ( 0.2015648 -0.0000000 -0.2015648), wk = 0.0037736 k( 160) = ( 0.2103285 0.0000000 -0.2103285), wk = 0.0037736 k( 161) = ( 0.2190921 -0.0000000 -0.2190921), wk = 0.0037736 k( 162) = ( 0.2278558 0.0000000 -0.2278558), wk = 0.0037736 k( 163) = ( 0.2366195 -0.0000000 -0.2366195), wk = 0.0037736 k( 164) = ( 0.2453832 -0.0000000 -0.2453832), wk = 0.0037736 k( 165) = ( 0.2541469 0.0000000 -0.2541469), wk = 0.0037736 k( 166) = ( 0.2629106 -0.0000000 -0.2629106), wk = 0.0037736 k( 167) = ( 0.2716743 -0.0000000 -0.2716743), wk = 0.0037736 k( 168) = ( 0.2804379 0.0000000 -0.2804379), wk = 0.0037736 k( 169) = ( 0.2892016 -0.0000000 -0.2892016), wk = 0.0037736 k( 170) = ( 0.2979653 -0.0000000 -0.2979653), wk = 0.0037736 k( 171) = ( 0.3067290 -0.0000000 -0.3067290), wk = 0.0037736 k( 172) = ( 0.3154927 0.0000000 -0.3154927), wk = 0.0037736 k( 173) = ( 0.3242564 -0.0000000 -0.3242564), wk = 0.0037736 k( 174) = ( 0.3330201 -0.0000000 -0.3330201), wk = 0.0037736 k( 175) = ( 0.3417837 -0.0000000 -0.3417837), wk = 0.0037736 k( 176) = ( 0.3505474 0.0000000 -0.3505474), wk = 0.0037736 k( 177) = ( 0.3593111 0.0000000 -0.3593111), wk = 0.0037736 k( 178) = ( 0.3680748 -0.0000000 -0.3680748), wk = 0.0037736 k( 179) = ( 0.3768385 0.0000000 -0.3768385), wk = 0.0037736 k( 180) = ( 0.3856022 -0.0000000 -0.3856022), wk = 0.0037736 k( 181) = ( 0.6143978 0.3856022 -0.0000000), wk = 0.0037736 k( 182) = ( 0.6055980 0.3944020 -0.0000000), wk = 0.0037736 k( 183) = ( 0.5967982 0.4032018 -0.0000000), wk = 0.0037736 k( 184) = ( 0.5879983 0.4120017 -0.0000000), wk = 0.0037736 k( 185) = ( 0.5791985 0.4208015 -0.0000000), wk = 0.0037736 k( 186) = ( 0.5703987 0.4296013 -0.0000000), wk = 0.0037736 k( 187) = ( 0.5615988 0.4384012 -0.0000000), wk = 0.0037736 k( 188) = ( 0.5527990 0.4472010 -0.0000000), wk = 0.0037736 k( 189) = ( 0.5439992 0.4560008 -0.0000000), wk = 0.0037736 k( 190) = ( 0.5351993 0.4648007 -0.0000000), wk = 0.0037736 k( 191) = ( 0.5263995 0.4736005 -0.0000000), wk = 0.0037736 k( 192) = ( 0.5175997 0.4824003 -0.0000000), wk = 0.0037736 k( 193) = ( 0.5087998 0.4912002 -0.0000000), wk = 0.0037736 k( 194) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0037736 k( 195) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0037736 k( 196) = ( 0.5067293 0.5067293 0.0159532), wk = 0.0037736 k( 197) = ( 0.5134586 0.5134586 0.0319064), wk = 0.0037736 k( 198) = ( 0.5201879 0.5201879 0.0478596), wk = 0.0037736 k( 199) = ( 0.5269171 0.5269171 0.0638128), wk = 0.0037736 k( 200) = ( 0.5336464 0.5336464 0.0797660), wk = 0.0037736 k( 201) = ( 0.5403757 0.5403757 0.0957192), wk = 0.0037736 k( 202) = ( 0.5471050 0.5471050 0.1116724), wk = 0.0037736 k( 203) = ( 0.5538343 0.5538343 0.1276256), wk = 0.0037736 k( 204) = ( 0.5605636 0.5605636 0.1435788), wk = 0.0037736 k( 205) = ( 0.5672928 0.5672928 0.1595320), wk = 0.0037736 k( 206) = ( 0.5740221 0.5740221 0.1754852), wk = 0.0037736 k( 207) = ( 0.5807514 0.5807514 0.1914384), wk = 0.0037736 k( 208) = ( 0.5874807 0.5874807 0.2073916), wk = 0.0037736 k( 209) = ( 0.5942100 0.5942100 0.2233447), wk = 0.0037736 k( 210) = ( 0.6009393 0.6009393 0.2392979), wk = 0.0037736 k( 211) = ( 0.6076685 0.6076686 0.2552511), wk = 0.0037736 k( 212) = ( 0.6143978 0.6143978 0.2712043), wk = 0.0037736 k( 213) = ( 0.6143978 0.6143978 0.2712043), wk = 0.0037736 k( 214) = ( 0.6094240 0.6094240 0.2811520), wk = 0.0037736 k( 215) = ( 0.6044502 0.6044502 0.2910996), wk = 0.0037736 k( 216) = ( 0.5994764 0.5994764 0.3010472), wk = 0.0037736 k( 217) = ( 0.5945026 0.5945026 0.3109949), wk = 0.0037736 k( 218) = ( 0.5895287 0.5895287 0.3209425), wk = 0.0037736 k( 219) = ( 0.5845549 0.5845549 0.3308902), wk = 0.0037736 k( 220) = ( 0.5795811 0.5795811 0.3408378), wk = 0.0037736 k( 221) = ( 0.5746073 0.5746073 0.3507854), wk = 0.0037736 k( 222) = ( 0.5696335 0.5696335 0.3607331), wk = 0.0037736 k( 223) = ( 0.5646596 0.5646596 0.3706807), wk = 0.0037736 k( 224) = ( 0.5596858 0.5596858 0.3806284), wk = 0.0037736 k( 225) = ( 0.5547120 0.5547120 0.3905760), wk = 0.0037736 k( 226) = ( 0.5497382 0.5497382 0.4005236), wk = 0.0037736 k( 227) = ( 0.5447644 0.5447644 0.4104713), wk = 0.0037736 k( 228) = ( 0.5397905 0.5397906 0.4204189), wk = 0.0037736 k( 229) = ( 0.5348167 0.5348167 0.4303665), wk = 0.0037736 k( 230) = ( 0.5298429 0.5298429 0.4403142), wk = 0.0037736 k( 231) = ( 0.5248691 0.5248691 0.4502618), wk = 0.0037736 k( 232) = ( 0.5198953 0.5198953 0.4602095), wk = 0.0037736 k( 233) = ( 0.5149215 0.5149215 0.4701571), wk = 0.0037736 k( 234) = ( 0.5099476 0.5099476 0.4801047), wk = 0.0037736 k( 235) = ( 0.5049738 0.5049738 0.4900524), wk = 0.0037736 k( 236) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037736 k( 237) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0037736 k( 238) = ( 0.5081713 0.0137715 0.0137715), wk = 0.0037736 k( 239) = ( 0.5163425 0.0275430 0.0275430), wk = 0.0037736 k( 240) = ( 0.5245138 0.0413145 0.0413145), wk = 0.0037736 k( 241) = ( 0.5326851 0.0550860 0.0550860), wk = 0.0037736 k( 242) = ( 0.5408564 0.0688575 0.0688575), wk = 0.0037736 k( 243) = ( 0.5490276 0.0826290 0.0826290), wk = 0.0037736 k( 244) = ( 0.5571989 0.0964005 0.0964005), wk = 0.0037736 k( 245) = ( 0.5653702 0.1101720 0.1101720), wk = 0.0037736 k( 246) = ( 0.5735415 0.1239435 0.1239435), wk = 0.0037736 k( 247) = ( 0.5817127 0.1377151 0.1377151), wk = 0.0037736 k( 248) = ( 0.5898840 0.1514866 0.1514866), wk = 0.0037736 k( 249) = ( 0.5980553 0.1652581 0.1652581), wk = 0.0037736 k( 250) = ( 0.6062266 0.1790296 0.1790296), wk = 0.0037736 k( 251) = ( 0.6143978 0.1928011 0.1928011), wk = 0.0037736 k( 252) = ( 0.6225691 0.2065726 0.2065726), wk = 0.0037736 k( 253) = ( 0.6307404 0.2203441 0.2203441), wk = 0.0037736 k( 254) = ( 0.6389117 0.2341156 0.2341156), wk = 0.0037736 k( 255) = ( 0.6470829 0.2478871 0.2478871), wk = 0.0037736 k( 256) = ( 0.6552542 0.2616586 0.2616586), wk = 0.0037736 k( 257) = ( 0.6634255 0.2754301 0.2754301), wk = 0.0037736 k( 258) = ( 0.6715967 0.2892016 0.2892016), wk = 0.0037736 k( 259) = ( 0.6797680 0.3029731 0.3029731), wk = 0.0037736 k( 260) = ( 0.6879393 0.3167446 0.3167446), wk = 0.0037736 k( 261) = ( 0.6961106 0.3305161 0.3305161), wk = 0.0037736 k( 262) = ( 0.7042818 0.3442877 0.3442876), wk = 0.0037736 k( 263) = ( 0.7124531 0.3580591 0.3580591), wk = 0.0037736 k( 264) = ( 0.7206244 0.3718307 0.3718307), wk = 0.0037736 k( 265) = ( 0.7287957 0.3856022 0.3856022), wk = 0.0037736 Dense grid: 327439 G-vectors FFT dimensions: ( 96, 96, 96) Smooth grid: 74403 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.46 Mb ( 524, 58) NL pseudopotentials 0.84 Mb ( 262, 210) Each V/rho on FFT grid 0.42 Mb ( 27648) Each G-vector array 0.07 Mb ( 9096) G-vector shells 0.05 Mb ( 7102) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.85 Mb ( 524, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.37 Mb ( 210, 2, 58) The potential is recalculated from file : ./BexB6Cx2.save/charge-density.dat Starting wfc are 122 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 5.6 secs Computing kpt #: 2 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 8.2 secs Computing kpt #: 3 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 10.8 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 13.4 secs Computing kpt #: 5 total cpu time spent up to now is 15.5 secs Computing kpt #: 6 total cpu time spent up to now is 17.7 secs Computing kpt #: 7 total cpu time spent up to now is 19.7 secs Computing kpt #: 8 total cpu time spent up to now is 21.9 secs Computing kpt #: 9 total cpu time spent up to now is 23.2 secs Computing kpt #: 10 total cpu time spent up to now is 24.3 secs Computing kpt #: 11 total cpu time spent up to now is 25.4 secs Computing kpt #: 12 total cpu time spent up to now is 26.3 secs Computing kpt #: 13 total cpu time spent up to now is 27.2 secs Computing kpt #: 14 total cpu time spent up to now is 28.2 secs Computing kpt #: 15 total cpu time spent up to now is 29.1 secs Computing kpt #: 16 total cpu time spent up to now is 30.0 secs Computing kpt #: 17 total cpu time spent up to now is 30.9 secs Computing kpt #: 18 total cpu time spent up to now is 32.0 secs Computing kpt #: 19 total cpu time spent up to now is 33.1 secs Computing kpt #: 20 total cpu time spent up to now is 34.2 secs Computing kpt #: 21 total cpu time spent up to now is 35.4 secs Computing kpt #: 22 total cpu time spent up to now is 36.9 secs Computing kpt #: 23 total cpu time spent up to now is 38.2 secs Computing kpt #: 24 total cpu time spent up to now is 39.4 secs Computing kpt #: 25 total cpu time spent up to now is 40.6 secs Computing kpt #: 26 total cpu time spent up to now is 41.7 secs Computing kpt #: 27 total cpu time spent up to now is 42.9 secs Computing kpt #: 28 total cpu time spent up to now is 44.0 secs Computing kpt #: 29 total cpu time spent up to now is 45.2 secs Computing kpt #: 30 total cpu time spent up to now is 46.3 secs Computing kpt #: 31 total cpu time spent up to now is 47.4 secs Computing kpt #: 32 total cpu time spent up to now is 48.5 secs Computing kpt #: 33 total cpu time spent up to now is 49.7 secs Computing kpt #: 34 total cpu time spent up to now is 51.0 secs Computing kpt #: 35 total cpu time spent up to now is 52.1 secs Computing kpt #: 36 total cpu time spent up to now is 53.1 secs Computing kpt #: 37 total cpu time spent up to now is 54.2 secs Computing kpt #: 38 total cpu time spent up to now is 55.3 secs Computing kpt #: 39 total cpu time spent up to now is 56.4 secs Computing kpt #: 40 total cpu time spent up to now is 57.4 secs Computing kpt #: 41 total cpu time spent up to now is 58.5 secs Computing kpt #: 42 total cpu time spent up to now is 59.6 secs Computing kpt #: 43 total cpu time spent up to now is 60.7 secs Computing kpt #: 44 total cpu time spent up to now is 61.9 secs Computing kpt #: 45 total cpu time spent up to now is 63.0 secs Computing kpt #: 46 total cpu time spent up to now is 64.1 secs Computing kpt #: 47 total cpu time spent up to now is 65.2 secs Computing kpt #: 48 total cpu time spent up to now is 66.3 secs Computing kpt #: 49 total cpu time spent up to now is 67.4 secs Computing kpt #: 50 total cpu time spent up to now is 68.4 secs Computing kpt #: 51 total cpu time spent up to now is 69.5 secs Computing kpt #: 52 total cpu time spent up to now is 70.5 secs Computing kpt #: 53 total cpu time spent up to now is 71.4 secs Computing kpt #: 54 total cpu time spent up to now is 72.4 secs Computing kpt #: 55 total cpu time spent up to now is 73.3 secs Computing kpt #: 56 total cpu time spent up to now is 74.2 secs Computing kpt #: 57 total cpu time spent up to now is 75.1 secs Computing kpt #: 58 total cpu time spent up to now is 76.0 secs Computing kpt #: 59 total cpu time spent up to now is 76.9 secs Computing kpt #: 60 total cpu time spent up to now is 77.8 secs Computing kpt #: 61 total cpu time spent up to now is 78.6 secs Computing kpt #: 62 total cpu time spent up to now is 79.5 secs Computing kpt #: 63 total cpu time spent up to now is 80.4 secs Computing kpt #: 64 total cpu time spent up to now is 81.2 secs Computing kpt #: 65 total cpu time spent up to now is 82.1 secs Computing kpt #: 66 total cpu time spent up to now is 82.9 secs Computing kpt #: 67 total cpu time spent up to now is 83.8 secs Computing kpt #: 68 total cpu time spent up to now is 84.7 secs Computing kpt #: 69 total cpu time spent up to now is 85.5 secs Computing kpt #: 70 total cpu time spent up to now is 86.4 secs Computing kpt #: 71 total cpu time spent up to now is 87.4 secs Computing kpt #: 72 total cpu time spent up to now is 88.3 secs Computing kpt #: 73 total cpu time spent up to now is 89.4 secs Computing kpt #: 74 total cpu time spent up to now is 90.4 secs Computing kpt #: 75 total cpu time spent up to now is 91.4 secs Computing kpt #: 76 total cpu time spent up to now is 92.4 secs Computing kpt #: 77 total cpu time spent up to now is 93.3 secs Computing kpt #: 78 total cpu time spent up to now is 94.2 secs Computing kpt #: 79 total cpu time spent up to now is 95.1 secs Computing kpt #: 80 total cpu time spent up to now is 96.0 secs Computing kpt #: 81 total cpu time spent up to now is 96.9 secs Computing kpt #: 82 total cpu time spent up to now is 97.7 secs Computing kpt #: 83 total cpu time spent up to now is 98.6 secs Computing kpt #: 84 total cpu time spent up to now is 99.5 secs Computing kpt #: 85 total cpu time spent up to now is 100.3 secs Computing kpt #: 86 total cpu time spent up to now is 101.2 secs Computing kpt #: 87 total cpu time spent up to now is 102.0 secs Computing kpt #: 88 total cpu time spent up to now is 102.9 secs Computing kpt #: 89 total cpu time spent up to now is 103.7 secs Computing kpt #: 90 total cpu time spent up to now is 104.6 secs Computing kpt #: 91 total cpu time spent up to now is 105.4 secs Computing kpt #: 92 total cpu time spent up to now is 106.2 secs Computing kpt #: 93 total cpu time spent up to now is 107.0 secs Computing kpt #: 94 total cpu time spent up to now is 107.9 secs Computing kpt #: 95 total cpu time spent up to now is 108.7 secs Computing kpt #: 96 total cpu time spent up to now is 109.5 secs Computing kpt #: 97 total cpu time spent up to now is 110.3 secs Computing kpt #: 98 total cpu time spent up to now is 111.1 secs Computing kpt #: 99 total cpu time spent up to now is 111.9 secs Computing kpt #: 100 total cpu time spent up to now is 112.7 secs Computing kpt #: 101 total cpu time spent up to now is 113.5 secs Computing kpt #: 102 total cpu time spent up to now is 114.3 secs Computing kpt #: 103 total cpu time spent up to now is 115.1 secs Computing kpt #: 104 total cpu time spent up to now is 116.0 secs Computing kpt #: 105 total cpu time spent up to now is 116.8 secs Computing kpt #: 106 total cpu time spent up to now is 117.6 secs Computing kpt #: 107 total cpu time spent up to now is 118.4 secs Computing kpt #: 108 total cpu time spent up to now is 119.2 secs Computing kpt #: 109 total cpu time spent up to now is 120.1 secs Computing kpt #: 110 total cpu time spent up to now is 120.9 secs Computing kpt #: 111 total cpu time spent up to now is 121.7 secs Computing kpt #: 112 total cpu time spent up to now is 122.6 secs Computing kpt #: 113 total cpu time spent up to now is 125.8 secs Computing kpt #: 114 total cpu time spent up to now is 126.7 secs Computing kpt #: 115 total cpu time spent up to now is 127.5 secs Computing kpt #: 116 total cpu time spent up to now is 128.4 secs Computing kpt #: 117 total cpu time spent up to now is 129.2 secs Computing kpt #: 118 total cpu time spent up to now is 130.1 secs Computing kpt #: 119 total cpu time spent up to now is 131.0 secs Computing kpt #: 120 total cpu time spent up to now is 131.9 secs Computing kpt #: 121 total cpu time spent up to now is 132.7 secs Computing kpt #: 122 total cpu time spent up to now is 133.6 secs Computing kpt #: 123 total cpu time spent up to now is 134.5 secs Computing kpt #: 124 total cpu time spent up to now is 135.4 secs Computing kpt #: 125 total cpu time spent up to now is 136.3 secs Computing kpt #: 126 total cpu time spent up to now is 137.2 secs Computing kpt #: 127 total cpu time spent up to now is 138.3 secs Computing kpt #: 128 total cpu time spent up to now is 139.7 secs Computing kpt #: 129 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 142.3 secs Computing kpt #: 130 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 144.9 secs Computing kpt #: 131 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 147.5 secs Computing kpt #: 132 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 150.1 secs Computing kpt #: 133 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 152.8 secs Computing kpt #: 134 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 155.3 secs Computing kpt #: 135 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 157.8 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 160.3 secs Computing kpt #: 137 total cpu time spent up to now is 162.4 secs Computing kpt #: 138 total cpu time spent up to now is 164.6 secs Computing kpt #: 139 total cpu time spent up to now is 166.7 secs Computing kpt #: 140 total cpu time spent up to now is 168.6 secs Computing kpt #: 141 total cpu time spent up to now is 170.1 secs Computing kpt #: 142 total cpu time spent up to now is 171.7 secs Computing kpt #: 143 total cpu time spent up to now is 173.2 secs Computing kpt #: 144 total cpu time spent up to now is 174.7 secs Computing kpt #: 145 total cpu time spent up to now is 175.8 secs Computing kpt #: 146 total cpu time spent up to now is 176.9 secs Computing kpt #: 147 total cpu time spent up to now is 178.0 secs Computing kpt #: 148 total cpu time spent up to now is 178.9 secs Computing kpt #: 149 total cpu time spent up to now is 179.8 secs Computing kpt #: 150 total cpu time spent up to now is 180.8 secs Computing kpt #: 151 total cpu time spent up to now is 181.7 secs Computing kpt #: 152 total cpu time spent up to now is 182.6 secs Computing kpt #: 153 total cpu time spent up to now is 183.5 secs Computing kpt #: 154 total cpu time spent up to now is 184.3 secs Computing kpt #: 155 total cpu time spent up to now is 185.2 secs Computing kpt #: 156 total cpu time spent up to now is 186.1 secs Computing kpt #: 157 total cpu time spent up to now is 187.0 secs Computing kpt #: 158 total cpu time spent up to now is 187.8 secs Computing kpt #: 159 total cpu time spent up to now is 188.7 secs Computing kpt #: 160 total cpu time spent up to now is 189.6 secs Computing kpt #: 161 total cpu time spent up to now is 190.4 secs Computing kpt #: 162 total cpu time spent up to now is 191.3 secs Computing kpt #: 163 total cpu time spent up to now is 192.2 secs Computing kpt #: 164 total cpu time spent up to now is 193.0 secs Computing kpt #: 165 total cpu time spent up to now is 193.9 secs Computing kpt #: 166 total cpu time spent up to now is 194.8 secs Computing kpt #: 167 total cpu time spent up to now is 195.6 secs Computing kpt #: 168 total cpu time spent up to now is 196.5 secs Computing kpt #: 169 total cpu time spent up to now is 197.3 secs Computing kpt #: 170 total cpu time spent up to now is 198.2 secs Computing kpt #: 171 total cpu time spent up to now is 199.0 secs Computing kpt #: 172 total cpu time spent up to now is 199.8 secs Computing kpt #: 173 total cpu time spent up to now is 200.7 secs Computing kpt #: 174 total cpu time spent up to now is 201.5 secs Computing kpt #: 175 total cpu time spent up to now is 202.4 secs Computing kpt #: 176 total cpu time spent up to now is 203.2 secs Computing kpt #: 177 total cpu time spent up to now is 204.0 secs Computing kpt #: 178 total cpu time spent up to now is 204.9 secs Computing kpt #: 179 total cpu time spent up to now is 205.7 secs Computing kpt #: 180 total cpu time spent up to now is 206.6 secs Computing kpt #: 181 total cpu time spent up to now is 207.4 secs Computing kpt #: 182 total cpu time spent up to now is 208.3 secs Computing kpt #: 183 total cpu time spent up to now is 209.1 secs Computing kpt #: 184 total cpu time spent up to now is 210.0 secs Computing kpt #: 185 total cpu time spent up to now is 210.9 secs Computing kpt #: 186 total cpu time spent up to now is 211.8 secs Computing kpt #: 187 total cpu time spent up to now is 212.7 secs Computing kpt #: 188 total cpu time spent up to now is 213.5 secs Computing kpt #: 189 total cpu time spent up to now is 214.4 secs Computing kpt #: 190 total cpu time spent up to now is 215.3 secs Computing kpt #: 191 total cpu time spent up to now is 216.2 secs Computing kpt #: 192 total cpu time spent up to now is 217.1 secs Computing kpt #: 193 total cpu time spent up to now is 218.2 secs Computing kpt #: 194 total cpu time spent up to now is 219.2 secs Computing kpt #: 195 total cpu time spent up to now is 220.1 secs Computing kpt #: 196 total cpu time spent up to now is 221.0 secs Computing kpt #: 197 total cpu time spent up to now is 221.9 secs Computing kpt #: 198 total cpu time spent up to now is 222.8 secs Computing kpt #: 199 total cpu time spent up to now is 223.7 secs Computing kpt #: 200 total cpu time spent up to now is 224.7 secs Computing kpt #: 201 total cpu time spent up to now is 225.7 secs Computing kpt #: 202 total cpu time spent up to now is 226.6 secs Computing kpt #: 203 total cpu time spent up to now is 227.7 secs Computing kpt #: 204 total cpu time spent up to now is 228.6 secs Computing kpt #: 205 total cpu time spent up to now is 229.5 secs Computing kpt #: 206 total cpu time spent up to now is 230.5 secs Computing kpt #: 207 total cpu time spent up to now is 231.5 secs Computing kpt #: 208 total cpu time spent up to now is 232.4 secs Computing kpt #: 209 total cpu time spent up to now is 233.5 secs Computing kpt #: 210 total cpu time spent up to now is 234.6 secs Computing kpt #: 211 total cpu time spent up to now is 235.7 secs Computing kpt #: 212 total cpu time spent up to now is 236.8 secs Computing kpt #: 213 total cpu time spent up to now is 237.8 secs Computing kpt #: 214 total cpu time spent up to now is 238.9 secs Computing kpt #: 215 total cpu time spent up to now is 240.0 secs Computing kpt #: 216 total cpu time spent up to now is 241.1 secs Computing kpt #: 217 total cpu time spent up to now is 242.0 secs Computing kpt #: 218 total cpu time spent up to now is 242.9 secs Computing kpt #: 219 total cpu time spent up to now is 243.9 secs Computing kpt #: 220 total cpu time spent up to now is 244.8 secs Computing kpt #: 221 total cpu time spent up to now is 245.7 secs Computing kpt #: 222 total cpu time spent up to now is 246.6 secs Computing kpt #: 223 total cpu time spent up to now is 247.4 secs Computing kpt #: 224 total cpu time spent up to now is 248.3 secs Computing kpt #: 225 total cpu time spent up to now is 249.2 secs Computing kpt #: 226 total cpu time spent up to now is 250.1 secs Computing kpt #: 227 total cpu time spent up to now is 250.9 secs Computing kpt #: 228 total cpu time spent up to now is 251.8 secs Computing kpt #: 229 total cpu time spent up to now is 252.6 secs Computing kpt #: 230 total cpu time spent up to now is 253.4 secs Computing kpt #: 231 total cpu time spent up to now is 254.3 secs Computing kpt #: 232 total cpu time spent up to now is 255.1 secs Computing kpt #: 233 total cpu time spent up to now is 255.9 secs Computing kpt #: 234 total cpu time spent up to now is 256.8 secs Computing kpt #: 235 total cpu time spent up to now is 257.6 secs Computing kpt #: 236 total cpu time spent up to now is 258.4 secs Computing kpt #: 237 total cpu time spent up to now is 259.4 secs Computing kpt #: 238 total cpu time spent up to now is 260.5 secs Computing kpt #: 239 total cpu time spent up to now is 261.6 secs Computing kpt #: 240 total cpu time spent up to now is 262.7 secs Computing kpt #: 241 total cpu time spent up to now is 265.0 secs Computing kpt #: 242 total cpu time spent up to now is 266.2 secs Computing kpt #: 243 total cpu time spent up to now is 267.5 secs Computing kpt #: 244 total cpu time spent up to now is 268.5 secs Computing kpt #: 245 total cpu time spent up to now is 269.6 secs Computing kpt #: 246 total cpu time spent up to now is 270.4 secs Computing kpt #: 247 total cpu time spent up to now is 271.3 secs Computing kpt #: 248 total cpu time spent up to now is 272.2 secs Computing kpt #: 249 total cpu time spent up to now is 273.1 secs Computing kpt #: 250 total cpu time spent up to now is 273.9 secs Computing kpt #: 251 total cpu time spent up to now is 274.8 secs Computing kpt #: 252 total cpu time spent up to now is 275.6 secs Computing kpt #: 253 total cpu time spent up to now is 276.5 secs Computing kpt #: 254 total cpu time spent up to now is 277.3 secs Computing kpt #: 255 total cpu time spent up to now is 278.2 secs Computing kpt #: 256 total cpu time spent up to now is 279.0 secs Computing kpt #: 257 total cpu time spent up to now is 279.8 secs Computing kpt #: 258 total cpu time spent up to now is 280.7 secs Computing kpt #: 259 total cpu time spent up to now is 281.6 secs Computing kpt #: 260 total cpu time spent up to now is 282.5 secs Computing kpt #: 261 total cpu time spent up to now is 283.4 secs Computing kpt #: 262 total cpu time spent up to now is 284.3 secs Computing kpt #: 263 total cpu time spent up to now is 285.2 secs Computing kpt #: 264 total cpu time spent up to now is 286.3 secs Computing kpt #: 265 total cpu time spent up to now is 287.3 secs ethr = 2.08E-08, avg # of iterations = 26.1 total cpu time spent up to now is 287.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 9305 PWs) bands (ev): -90.8535 -90.8535 -7.3828 -7.3828 -3.6934 -3.6934 -3.6735 -3.6735 -2.3057 -2.3057 -2.3056 -2.3056 -1.7713 -1.7713 0.1046 0.1046 0.1048 0.1048 0.9986 0.9986 1.0844 1.0844 1.0851 1.0851 2.7616 2.7616 2.7621 2.7621 2.8137 2.8137 3.8009 3.8009 5.3045 5.3045 5.3056 5.3056 6.1939 6.1939 6.2189 6.2189 7.1024 7.1024 7.1053 7.1053 7.2534 7.2534 7.4066 7.4066 7.4068 7.4068 13.5140 13.5140 13.5142 13.5142 14.5832 14.5832 14.9963 14.9972 k = 0.0143-0.0066-0.0049 ( 9288 PWs) bands (ev): -90.8535 -90.8535 -7.3819 -7.3819 -3.6945 -3.6945 -3.6775 -3.6775 -2.3061 -2.3061 -2.3026 -2.3026 -1.7732 -1.7732 0.1067 0.1067 0.1077 0.1077 0.9992 0.9992 1.0811 1.0811 1.0870 1.0870 2.7565 2.7565 2.7667 2.7667 2.8173 2.8173 3.8086 3.8086 5.2929 5.2929 5.3050 5.3050 6.2034 6.2034 6.2129 6.2129 7.0998 7.0998 7.1062 7.1062 7.2431 7.2431 7.4067 7.4067 7.4139 7.4139 13.5125 13.5125 13.5171 13.5171 14.5768 14.5768 14.9975 14.9978 k = 0.0286-0.0133-0.0098 ( 9278 PWs) bands (ev): -90.8535 -90.8535 -7.3792 -7.3792 -3.6996 -3.6996 -3.6875 -3.6875 -2.3073 -2.3073 -2.2935 -2.2935 -1.7786 -1.7786 0.1127 0.1127 0.1167 0.1167 1.0005 1.0005 1.0704 1.0704 1.0941 1.0941 2.7404 2.7404 2.7811 2.7811 2.8289 2.8289 3.8313 3.8313 5.2582 5.2582 5.3045 5.3045 6.1953 6.1953 6.2306 6.2306 7.0890 7.0890 7.1115 7.1115 7.2168 7.2168 7.4069 7.4069 7.4310 7.4310 13.5076 13.5076 13.5260 13.5260 14.5578 14.5578 14.9996 15.0009 k = 0.0429-0.0199-0.0147 ( 9264 PWs) bands (ev): -90.8535 -90.8535 -7.3748 -7.3748 -3.7166 -3.7166 -3.6953 -3.6953 -2.3093 -2.3093 -2.2788 -2.2788 -1.7876 -1.7876 0.1228 0.1228 0.1313 0.1313 1.0016 1.0016 1.0530 1.0530 1.1073 1.1073 2.7142 2.7142 2.8046 2.8046 2.8489 2.8489 3.8673 3.8673 5.2046 5.2046 5.3036 5.3036 6.1672 6.1672 6.2716 6.2716 7.0700 7.0700 7.1196 7.1196 7.1813 7.1813 7.4073 7.4073 7.4517 7.4517 13.4994 13.4994 13.5406 13.5406 14.5275 14.5275 15.0025 15.0025 k = 0.0571-0.0266-0.0196 ( 9272 PWs) bands (ev): -90.8535 -90.8535 -7.3686 -7.3686 -3.7450 -3.7450 -3.7008 -3.7008 -2.3122 -2.3122 -2.2587 -2.2587 -1.7999 -1.7999 0.1368 0.1368 0.1508 0.1508 1.0022 1.0022 1.0296 1.0296 1.1274 1.1274 2.6800 2.6800 2.8365 2.8365 2.8771 2.8771 3.9148 3.9148 5.1366 5.1366 5.3018 5.3018 6.1303 6.1303 6.3220 6.3220 7.0425 7.0425 7.1293 7.1293 7.1412 7.1412 7.4080 7.4080 7.4722 7.4722 13.4881 13.4881 13.5605 13.5605 14.4871 14.4871 15.0062 15.0062 k = 0.0714-0.0332-0.0245 ( 9268 PWs) bands (ev): -90.8535 -90.8535 -7.3606 -7.3606 -3.7812 -3.7812 -3.7067 -3.7067 -2.3157 -2.3157 -2.2338 -2.2338 -1.8153 -1.8153 0.1547 0.1547 0.1745 0.1745 1.0011 1.0011 1.0027 1.0027 1.1546 1.1546 2.6400 2.6400 2.8759 2.8759 2.9130 2.9130 3.9715 3.9715 5.0579 5.0579 5.2986 5.2986 6.0867 6.0867 6.3782 6.3782 7.0061 7.0061 7.0988 7.0988 7.1391 7.1391 7.4092 7.4092 7.4909 7.4909 13.4735 13.4735 13.5853 13.5853 14.4376 14.4376 15.0108 15.0108 k = 0.0857-0.0399-0.0294 ( 9273 PWs) bands (ev): -90.8535 -90.8535 -7.3509 -7.3509 -3.8241 -3.8241 -3.7135 -3.7135 -2.3199 -2.3199 -2.2045 -2.2045 -1.8336 -1.8336 0.1763 0.1763 0.2011 0.2011 0.9682 0.9682 1.0041 1.0041 1.1885 1.1885 2.5961 2.5961 2.9218 2.9218 2.9560 2.9560 4.0356 4.0356 4.9714 4.9714 5.2931 5.2931 6.0386 6.0386 6.4370 6.4370 6.9608 6.9608 7.0551 7.0551 7.1477 7.1477 7.4109 7.4109 7.5070 7.5070 13.4556 13.4556 13.6140 13.6140 14.3796 14.3796 15.0159 15.0159 k = 0.1000-0.0465-0.0343 ( 9278 PWs) bands (ev): -90.8535 -90.8535 -7.3394 -7.3394 -3.8726 -3.8726 -3.7211 -3.7211 -2.3248 -2.3248 -2.1715 -2.1715 -1.8544 -1.8544 0.2015 0.2015 0.2292 0.2292 0.9319 0.9319 1.0080 1.0080 1.2287 1.2287 2.5500 2.5500 2.9734 2.9734 3.0055 3.0055 4.1055 4.1055 4.8795 4.8795 5.2844 5.2844 5.9885 5.9885 6.4958 6.4958 6.9084 6.9084 7.0099 7.0099 7.1542 7.1542 7.4133 7.4133 7.5199 7.5199 13.4344 13.4344 13.6457 13.6457 14.3134 14.3134 15.0212 15.0212 k = 0.1143-0.0532-0.0392 ( 9276 PWs) bands (ev): -90.8535 -90.8535 -7.3263 -7.3263 -3.9261 -3.9261 -3.7295 -3.7295 -2.3302 -2.3302 -2.1351 -2.1351 -1.8775 -1.8775 0.2301 0.2301 0.2572 0.2572 0.8931 0.8931 1.0161 1.0161 1.2743 1.2743 2.5032 2.5032 3.0295 3.0295 3.0610 3.0610 4.1797 4.1797 4.7839 4.7839 5.2710 5.2710 5.9390 5.9390 6.5515 6.5515 6.8519 6.8519 6.9624 6.9624 7.1576 7.1576 7.4165 7.4165 7.5296 7.5296 13.4096 13.4096 13.6786 13.6786 14.2391 14.2391 14.9351 14.9351 k = 0.1286-0.0598-0.0441 ( 9273 PWs) bands (ev): -90.8535 -90.8535 -7.3114 -7.3114 -3.9838 -3.9838 -3.7385 -3.7385 -2.3361 -2.3361 -2.0958 -2.0958 -1.9025 -1.9025 0.2618 0.2618 0.2832 0.2832 0.8526 0.8526 1.0304 1.0304 1.3248 1.3248 2.4568 2.4568 3.0893 3.0893 3.1218 3.1218 4.2569 4.2569 4.6860 4.6860 5.2515 5.2515 5.8926 5.8926 6.5976 6.5976 6.7975 6.7975 6.9122 6.9122 7.1576 7.1576 7.4204 7.4204 7.5357 7.5357 13.3812 13.3812 13.7102 13.7102 14.1570 14.1570 14.8331 14.8331 k = 0.1429-0.0665-0.0489 ( 9267 PWs) bands (ev): -90.8535 -90.8535 -7.2949 -7.2949 -4.0450 -4.0450 -3.7480 -3.7480 -2.3423 -2.3423 -2.0541 -2.0541 -1.9290 -1.9290 0.2962 0.2962 0.3055 0.3055 0.8115 0.8115 1.0525 1.0525 1.3793 1.3793 2.4119 2.4119 3.1517 3.1517 3.1874 3.1874 4.3354 4.3354 4.5878 4.5878 5.2243 5.2243 5.8518 5.8518 6.6137 6.6137 6.7643 6.7643 6.8607 6.8607 7.1539 7.1539 7.4249 7.4249 7.5383 7.5383 13.3488 13.3488 13.7369 13.7369 14.0677 14.0677 14.7351 14.7351 k = 0.1571-0.0731-0.0538 ( 9268 PWs) bands (ev): -90.8535 -90.8535 -7.2768 -7.2768 -4.1091 -4.1091 -3.7580 -3.7580 -2.3489 -2.3489 -2.0102 -2.0102 -1.9567 -1.9567 0.3226 0.3226 0.3328 0.3328 0.7707 0.7707 1.0838 1.0838 1.4369 1.4369 2.3697 2.3697 3.2157 3.2157 3.2568 3.2568 4.4070 4.4070 4.4975 4.4975 5.1886 5.1886 5.8186 5.8186 6.5766 6.5766 6.7609 6.7609 6.8223 6.8223 7.1466 7.1466 7.4299 7.4299 7.5372 7.5372 13.3122 13.3122 13.7532 13.7532 13.9718 13.9718 14.6477 14.6477 k = 0.1714-0.0798-0.0587 ( 9264 PWs) bands (ev): -90.8535 -90.8535 -7.2571 -7.2571 -4.1757 -4.1757 -3.7682 -3.7682 -2.3558 -2.3558 -1.9863 -1.9863 -1.9635 -1.9635 0.3336 0.3336 0.3704 0.3704 0.7317 0.7317 1.1249 1.1249 1.4966 1.4966 2.3313 2.3313 3.2804 3.2804 3.3293 3.3293 4.3743 4.3743 4.5131 4.5131 5.1443 5.1443 5.7939 5.7939 6.5089 6.5089 6.7202 6.7202 6.8418 6.8418 7.1358 7.1358 7.4350 7.4350 7.5326 7.5326 13.2713 13.2713 13.7522 13.7522 13.8705 13.8705 14.5785 14.5785 k = 0.1857-0.0864-0.0636 ( 9266 PWs) bands (ev): -90.8535 -90.8535 -7.2358 -7.2358 -4.2441 -4.2441 -3.7787 -3.7787 -2.3628 -2.3628 -2.0152 -2.0152 -1.9164 -1.9164 0.3383 0.3383 0.4070 0.4070 0.6968 0.6968 1.1758 1.1758 1.5570 1.5570 2.2983 2.2983 3.3446 3.3446 3.4035 3.4035 4.2815 4.2815 4.5908 4.5908 5.0924 5.0924 5.7775 5.7775 6.4295 6.4295 6.6576 6.6576 6.8852 6.8852 7.1218 7.1218 7.4402 7.4402 7.5243 7.5243 13.2260 13.2260 13.7270 13.7270 13.7648 13.7648 14.5349 14.5349 k = 0.2000-0.0930-0.0685 ( 9264 PWs) bands (ev): -90.8535 -90.8535 -7.2131 -7.2131 -4.3139 -4.3139 -3.7892 -3.7892 -2.3699 -2.3699 -2.0449 -2.0449 -1.8676 -1.8676 0.3369 0.3369 0.4381 0.4381 0.6707 0.6707 1.2359 1.2359 1.6161 1.6161 2.2726 2.2726 3.4072 3.4072 3.4770 3.4770 4.1897 4.1897 4.6714 4.6714 5.0351 5.0351 5.7686 5.7686 6.3442 6.3442 6.5891 6.5891 6.9315 6.9315 7.1051 7.1051 7.4452 7.4452 7.5126 7.5126 13.1763 13.1763 13.6556 13.6556 13.6745 13.6745 14.5202 14.5202 k = 0.2143-0.0997-0.0734 ( 9269 PWs) bands (ev): -90.8535 -90.8535 -7.1889 -7.1889 -4.3847 -4.3847 -3.7997 -3.7997 -2.3771 -2.3771 -2.0747 -2.0747 -1.8177 -1.8177 0.3303 0.3303 0.4558 0.4558 0.6616 0.6616 1.3040 1.3040 1.6714 1.6714 2.2569 2.2569 3.4665 3.4665 3.5455 3.5455 4.1061 4.1061 4.7509 4.7509 4.9749 4.9749 5.7658 5.7658 6.2546 6.2546 6.5173 6.5173 6.9771 6.9771 7.0861 7.0861 7.4500 7.4500 7.4975 7.4975 13.1226 13.1226 13.5439 13.5439 13.5976 13.5976 14.5318 14.5318 k = 0.2286-0.1063-0.0783 ( 9265 PWs) bands (ev): -90.8535 -90.8535 -7.1634 -7.1634 -4.4561 -4.4561 -3.8100 -3.8100 -2.3842 -2.3842 -2.1044 -2.1044 -1.7667 -1.7667 0.3194 0.3194 0.4530 0.4530 0.6766 0.6766 1.3788 1.3788 1.7198 1.7198 2.2544 2.2544 3.5209 3.5209 3.5995 3.5995 4.0407 4.0407 4.8279 4.8279 4.9148 4.9148 5.7676 5.7676 6.1619 6.1619 6.4433 6.4433 7.0205 7.0205 7.0651 7.0651 7.4543 7.4543 7.4795 7.4795 13.0652 13.0652 13.4306 13.4306 13.5025 13.5025 14.5633 14.5633 k = 0.2429-0.1130-0.0832 ( 9267 PWs) bands (ev): -90.8535 -90.8535 -7.1366 -7.1366 -4.5277 -4.5277 -3.8202 -3.8202 -2.3913 -2.3913 -2.1338 -2.1338 -1.7152 -1.7152 0.3048 0.3048 0.4332 0.4332 0.7123 0.7123 1.4587 1.4587 1.7582 1.7582 2.2686 2.2686 3.5682 3.5682 3.6219 3.6219 4.0110 4.0110 4.8581 4.8581 4.9009 4.9009 5.7725 5.7725 6.0667 6.0667 6.3683 6.3683 7.0428 7.0428 7.0607 7.0607 7.4581 7.4581 7.4592 7.4592 13.0047 13.0047 13.3165 13.3165 13.3959 13.3959 14.6081 14.6081 k = 0.2571-0.1196-0.0881 ( 9273 PWs) bands (ev): -90.8535 -90.8535 -7.1086 -7.1086 -4.5992 -4.5992 -3.8301 -3.8301 -2.3982 -2.3982 -2.1626 -2.1626 -1.6631 -1.6631 0.2875 0.2875 0.4046 0.4046 0.7604 0.7604 1.5415 1.5415 1.7860 1.7860 2.3011 2.3011 3.5992 3.5992 3.6059 3.6059 4.0303 4.0303 4.8082 4.8082 4.9683 4.9683 5.7793 5.7793 5.9695 5.9695 6.2938 6.2938 7.0196 7.0196 7.0964 7.0964 7.4377 7.4377 7.4615 7.4615 12.9417 12.9417 13.2022 13.2022 13.2826 13.2826 14.6612 14.6612 k = 0.2714-0.1263-0.0930 ( 9275 PWs) bands (ev): -90.8535 -90.8535 -7.0795 -7.0795 -4.6703 -4.6703 -3.8396 -3.8396 -2.4049 -2.4049 -2.1906 -2.1906 -1.6108 -1.6108 0.2680 0.2680 0.3726 0.3726 0.8158 0.8158 1.6232 1.6232 1.8067 1.8067 2.3511 2.3511 3.5424 3.5424 3.6311 3.6311 4.0877 4.0877 4.7685 4.7685 5.0278 5.0278 5.7868 5.7868 5.8709 5.8709 6.2217 6.2217 6.9962 6.9962 7.1257 7.1257 7.4170 7.4170 7.4644 7.4644 12.8772 12.8772 13.0884 13.0884 13.1664 13.1664 14.7188 14.7188 k = 0.2857-0.1329-0.0979 ( 9274 PWs) bands (ev): -90.8535 -90.8535 -7.0495 -7.0495 -4.7406 -4.7406 -3.8488 -3.8488 -2.4114 -2.4114 -2.2177 -2.2177 -1.5586 -1.5586 0.2470 0.2470 0.3396 0.3396 0.8757 0.8757 1.6935 1.6935 1.8326 1.8326 2.4156 2.4156 3.4696 3.4696 3.6414 3.6414 4.1654 4.1654 4.7421 4.7421 5.0767 5.0767 5.7714 5.7714 5.7941 5.7941 6.1546 6.1546 6.9731 6.9731 7.1454 7.1454 7.4006 7.4006 7.4667 7.4667 12.8118 12.8118 12.9758 12.9758 13.0496 13.0496 14.7782 14.7782 k = 0.3000-0.1396-0.1028 ( 9272 PWs) bands (ev): -90.8535 -90.8535 -7.0187 -7.0187 -4.8097 -4.8097 -3.8575 -3.8575 -2.4175 -2.4175 -2.2437 -2.2437 -1.5067 -1.5067 0.2248 0.2248 0.3071 0.3071 0.9388 0.9388 1.7334 1.7334 1.8849 1.8849 2.4911 2.4911 3.3911 3.3911 3.6353 3.6353 4.2528 4.2528 4.7311 4.7311 5.1114 5.1114 5.6718 5.6718 5.7999 5.7999 6.0957 6.0957 6.9510 6.9510 7.1509 7.1509 7.3929 7.3929 7.4684 7.4684 12.7464 12.7464 12.8650 12.8650 12.9342 12.9342 14.8129 14.8377 k = 0.3143-0.1462-0.1077 ( 9278 PWs) bands (ev): -90.8535 -90.8535 -6.9873 -6.9873 -4.8774 -4.8774 -3.8658 -3.8658 -2.4234 -2.4234 -2.2685 -2.2685 -1.4554 -1.4554 0.2018 0.2018 0.2756 0.2756 1.0042 1.0042 1.7449 1.7449 1.9637 1.9637 2.5746 2.5746 3.3122 3.3122 3.6126 3.6126 4.3447 4.3447 4.7359 4.7359 5.1283 5.1283 5.5726 5.5726 5.8035 5.8035 6.0488 6.0488 6.9305 6.9305 7.1394 7.1394 7.3971 7.3971 7.4696 7.4696 12.6820 12.6820 12.7567 12.7567 12.8216 12.8216 14.7780 14.7780 k = 0.3286-0.1529-0.1126 ( 9278 PWs) bands (ev): -90.8535 -90.8535 -6.9556 -6.9556 -4.9433 -4.9433 -3.8735 -3.8735 -2.4290 -2.4290 -2.2919 -2.2919 -1.4049 -1.4049 0.1783 0.1783 0.2456 0.2456 1.0712 1.0712 1.7448 1.7448 2.0528 2.0528 2.6639 2.6639 3.2358 3.2358 3.5751 3.5751 4.4380 4.4380 4.7554 4.7554 5.1245 5.1245 5.4745 5.4745 5.8040 5.8040 6.0169 6.0169 6.9121 6.9121 7.1124 7.1124 7.4118 7.4118 7.4703 7.4703 12.6190 12.6190 12.6517 12.6517 12.7130 12.7130 14.7433 14.7433 k = 0.3429-0.1595-0.1175 ( 9282 PWs) bands (ev): -90.8535 -90.8535 -6.9237 -6.9237 -5.0070 -5.0070 -3.8807 -3.8807 -2.4341 -2.4341 -2.3139 -2.3139 -1.3558 -1.3558 0.1546 0.1546 0.2174 0.2174 1.1394 1.1394 1.7411 1.7411 2.1440 2.1440 2.7572 2.7572 3.1642 3.1642 3.5253 3.5253 4.5299 4.5299 4.7872 4.7872 5.0999 5.0999 5.3778 5.3778 5.8006 5.8006 6.0014 6.0014 6.8963 6.8963 7.0739 7.0739 7.4333 7.4333 7.4705 7.4705 12.5492 12.5492 12.5600 12.5600 12.6093 12.6093 14.7095 14.7095 k = 0.3571-0.1662-0.1224 ( 9276 PWs) bands (ev): -90.8535 -90.8535 -6.8919 -6.8919 -5.0681 -5.0681 -3.8873 -3.8873 -2.4389 -2.4389 -2.3342 -2.3342 -1.3082 -1.3082 0.1311 0.1311 0.1912 0.1912 1.2081 1.2081 1.7368 1.7368 2.2332 2.2332 2.8531 2.8531 3.1000 3.1000 3.4664 3.4664 4.6163 4.6163 4.8287 4.8287 5.0594 5.0594 5.2826 5.2826 5.7926 5.7926 6.0010 6.0010 6.8835 6.8835 7.0276 7.0276 7.4584 7.4584 7.4703 7.4703 12.4536 12.4536 12.5020 12.5020 12.5114 12.5114 14.6774 14.6774 k = 0.3714-0.1728-0.1273 ( 9281 PWs) bands (ev): -90.8535 -90.8535 -6.8607 -6.8607 -5.1261 -5.1261 -3.8933 -3.8933 -2.4432 -2.4432 -2.3530 -2.3530 -1.2627 -1.2627 0.1080 0.1080 0.1672 0.1672 1.2767 1.2767 1.7331 1.7331 2.3167 2.3167 2.9484 2.9484 3.0483 3.0483 3.4015 3.4015 4.6879 4.6879 4.8772 4.8772 5.0152 5.0152 5.1889 5.1889 5.7796 5.7796 6.0123 6.0123 6.8739 6.8739 6.9760 6.9760 7.4696 7.4696 7.4848 7.4848 12.3627 12.3627 12.4201 12.4201 12.4485 12.4485 14.6475 14.6475 k = 0.3857-0.1794-0.1322 ( 9296 PWs) bands (ev): -90.8535 -90.8535 -6.8304 -6.8304 -5.1806 -5.1806 -3.8987 -3.8987 -2.4472 -2.4472 -2.3699 -2.3699 -1.2198 -1.2198 0.0856 0.0856 0.1454 0.1454 1.3445 1.3445 1.7307 1.7307 2.3899 2.3899 2.9923 2.9923 3.0631 3.0631 3.3333 3.3333 4.7229 4.7229 4.9308 4.9308 4.9909 4.9909 5.0991 5.0991 5.7615 5.7615 6.0312 6.0312 6.8673 6.8673 6.9209 6.9209 7.4685 7.4685 7.5110 7.5110 12.2783 12.2783 12.3362 12.3362 12.3994 12.3994 14.6200 14.6200 k = 0.4000-0.1861-0.1371 ( 9299 PWs) bands (ev): -90.8535 -90.8535 -6.8015 -6.8015 -5.2310 -5.2310 -3.9035 -3.9035 -2.4507 -2.4507 -2.3851 -2.3851 -1.1798 -1.1798 0.0643 0.0643 0.1260 0.1260 1.4105 1.4105 1.7297 1.7297 2.4470 2.4470 2.9757 2.9757 3.1577 3.1577 3.2643 3.2643 4.7002 4.7002 4.9762 4.9762 4.9875 4.9875 5.0482 5.0482 5.7381 5.7381 6.0541 6.0541 6.8634 6.8634 6.8643 6.8643 7.4672 7.4672 7.5363 7.5363 12.2010 12.2010 12.2604 12.2604 12.3550 12.3550 14.5953 14.5953 k = 0.4143-0.1927-0.1419 ( 9290 PWs) bands (ev): -90.8535 -90.8535 -6.7746 -6.7746 -5.2767 -5.2767 -3.9077 -3.9077 -2.4537 -2.4537 -2.3983 -2.3983 -1.1434 -1.1434 0.0445 0.0445 0.1091 0.1091 1.4736 1.4736 1.7300 1.7300 2.4829 2.4829 2.9776 2.9776 3.1968 3.1968 3.2563 3.2563 4.6383 4.6383 4.8985 4.8985 5.0458 5.0458 5.0941 5.0941 5.7098 5.7098 6.0779 6.0779 6.8072 6.8072 6.8622 6.8622 7.4657 7.4657 7.5598 7.5598 12.1319 12.1319 12.1932 12.1932 12.3157 12.3157 14.5736 14.5736 k = 0.4286-0.1994-0.1468 ( 9286 PWs) bands (ev): -90.8535 -90.8535 -6.7502 -6.7502 -5.3170 -5.3170 -3.9112 -3.9112 -2.4563 -2.4563 -2.4096 -2.4096 -1.1112 -1.1112 0.0266 0.0266 0.0947 0.0947 1.5323 1.5323 1.7315 1.7315 2.4975 2.4975 3.0011 3.0011 3.1331 3.1331 3.3534 3.3534 4.5618 4.5618 4.8130 4.8130 5.1046 5.1046 5.1601 5.1601 5.6771 5.6771 6.1007 6.1007 6.7520 6.7520 6.8626 6.8626 7.4641 7.4641 7.5809 7.5809 12.0717 12.0717 12.1354 12.1354 12.2820 12.2820 14.5551 14.5551 k = 0.4429-0.2060-0.1517 ( 9290 PWs) bands (ev): -90.8535 -90.8535 -6.7290 -6.7290 -5.3513 -5.3513 -3.9141 -3.9141 -2.4584 -2.4584 -2.4189 -2.4189 -1.0837 -1.0837 0.0111 0.0111 0.0828 0.0828 1.5850 1.5850 1.7337 1.7337 2.4965 2.4965 3.0391 3.0391 3.0757 3.0757 3.4464 3.4464 4.4825 4.4825 4.7325 4.7325 5.1624 5.1624 5.2251 5.2251 5.6409 5.6409 6.1210 6.1210 6.7008 6.7008 6.8642 6.8642 7.4625 7.4625 7.5990 7.5990 12.0212 12.0212 12.0872 12.0872 12.2541 12.2541 14.5398 14.5398 k = 0.4571-0.2127-0.1566 ( 9294 PWs) bands (ev): -90.8535 -90.8535 -6.7117 -6.7117 -5.3789 -5.3789 -3.9164 -3.9164 -2.4601 -2.4601 -2.4262 -2.4262 -1.0616 -1.0616 -0.0016 -0.0016 0.0735 0.0735 1.6295 1.6295 1.7362 1.7362 2.4878 2.4878 3.0271 3.0271 3.0816 3.0816 3.5320 3.5320 4.4072 4.4072 4.6619 4.6619 5.2177 5.2177 5.2822 5.2822 5.6025 5.6025 6.1376 6.1376 6.6561 6.6561 6.8662 6.8662 7.4611 7.4611 7.6137 7.6137 11.9812 11.9812 12.0493 12.0493 12.2321 12.2321 14.5278 14.5278 k = 0.4714-0.2193-0.1615 ( 9300 PWs) bands (ev): -90.8535 -90.8535 -6.6988 -6.6988 -5.3991 -5.3991 -3.9180 -3.9180 -2.4613 -2.4613 -2.4315 -2.4315 -1.0453 -1.0453 -0.0111 -0.0111 0.0669 0.0669 1.6636 1.6636 1.7385 1.7385 2.4778 2.4778 2.9899 2.9899 3.1193 3.1193 3.6046 3.6046 4.3424 4.3424 4.6059 4.6059 5.2676 5.2676 5.3268 5.3268 5.5647 5.5647 6.1499 6.1499 6.6210 6.6210 6.8682 6.8682 7.4601 7.4601 7.6245 7.6245 11.9521 11.9521 12.0220 12.0220 12.2164 12.2164 14.5192 14.5192 k = 0.4857-0.2260-0.1664 ( 9308 PWs) bands (ev): -90.8535 -90.8535 -6.6908 -6.6908 -5.4115 -5.4115 -3.9189 -3.9189 -2.4620 -2.4620 -2.4346 -2.4346 -1.0354 -1.0354 -0.0169 -0.0169 0.0629 0.0629 1.6851 1.6851 1.7400 1.7400 2.4704 2.4704 2.9664 2.9664 3.1450 3.1450 3.6556 3.6556 4.2964 4.2964 4.5697 4.5697 5.3063 5.3063 5.3552 5.3552 5.5332 5.5332 6.1574 6.1574 6.5985 6.5985 6.8695 6.8695 7.4594 7.4594 7.6311 7.6311 11.9345 11.9345 12.0055 12.0055 12.2068 12.2068 14.5140 14.5140 k = 0.5000-0.2326-0.1713 ( 9312 PWs) bands (ev): -90.8535 -90.8535 -6.6882 -6.6882 -5.4156 -5.4156 -3.9193 -3.9193 -2.4622 -2.4622 -2.4356 -2.4356 -1.0320 -1.0320 -0.0189 -0.0189 0.0616 0.0616 1.6925 1.6925 1.7406 1.7406 2.4677 2.4677 2.9583 2.9583 3.1541 3.1541 3.6743 3.6743 4.2794 4.2794 4.5571 4.5571 5.3221 5.3221 5.3650 5.3650 5.5199 5.5199 6.1600 6.1600 6.5907 6.5907 6.8700 6.8700 7.4591 7.4591 7.6333 7.6333 11.9286 11.9286 11.9999 11.9999 12.2037 12.2037 14.5123 14.5123 k = 0.5000-0.2326-0.1713 ( 9312 PWs) bands (ev): -90.8535 -90.8535 -6.6882 -6.6882 -5.4156 -5.4156 -3.9193 -3.9193 -2.4622 -2.4622 -2.4356 -2.4356 -1.0320 -1.0320 -0.0189 -0.0189 0.0616 0.0616 1.6925 1.6925 1.7406 1.7406 2.4677 2.4677 2.9583 2.9583 3.1541 3.1541 3.6743 3.6743 4.2794 4.2794 4.5571 4.5571 5.3221 5.3221 5.3650 5.3650 5.5199 5.5199 6.1600 6.1600 6.5907 6.5907 6.8700 6.8700 7.4591 7.4591 7.6333 7.6333 11.9286 11.9286 11.9999 11.9999 12.2037 12.2037 14.5123 14.5123 k = 0.5000-0.2230-0.1844 ( 9302 PWs) bands (ev): -90.8535 -90.8535 -6.6875 -6.6875 -5.4147 -5.4147 -3.9239 -3.9239 -2.4579 -2.4579 -2.4375 -2.4375 -1.0359 -1.0359 -0.0165 -0.0165 0.0647 0.0647 1.6928 1.6928 1.7360 1.7360 2.4740 2.4740 2.9559 2.9559 3.1609 3.1609 3.6751 3.6751 4.2796 4.2796 4.5566 4.5566 5.3179 5.3179 5.3655 5.3655 5.5155 5.5155 6.1580 6.1580 6.5847 6.5847 6.8788 6.8788 7.4521 7.4521 7.6382 7.6382 11.9302 11.9302 12.0004 12.0004 12.2034 12.2034 14.5172 14.5172 k = 0.5000-0.2133-0.1975 ( 9302 PWs) bands (ev): -90.8535 -90.8535 -6.6857 -6.6857 -5.4118 -5.4118 -3.9375 -3.9375 -2.4450 -2.4450 -2.4432 -2.4432 -1.0475 -1.0475 -0.0093 -0.0093 0.0737 0.0737 1.6941 1.6941 1.7224 1.7224 2.4927 2.4927 2.9500 2.9500 3.1794 3.1794 3.6776 3.6776 4.2801 4.2801 4.5552 4.5552 5.3056 5.3056 5.3669 5.3669 5.5024 5.5024 6.1502 6.1502 6.5716 6.5716 6.9020 6.9020 7.4331 7.4331 7.6510 7.6510 11.9348 11.9348 12.0019 12.0019 12.2027 12.2027 14.5315 14.5315 k = 0.5000-0.2037-0.2106 ( 9310 PWs) bands (ev): -90.8535 -90.8535 -6.6826 -6.6826 -5.4069 -5.4069 -3.9596 -3.9596 -2.4526 -2.4526 -2.4242 -2.4242 -1.0660 -1.0660 0.0026 0.0026 0.0878 0.0878 1.6972 1.6972 1.7005 1.7005 2.5229 2.5229 2.9431 2.9431 3.2055 3.2055 3.6828 3.6828 4.2809 4.2809 4.5529 4.5529 5.2865 5.2865 5.3691 5.3691 5.4809 5.4809 6.1319 6.1319 6.5616 6.5616 6.9330 6.9330 7.4059 7.4059 7.6677 7.6677 11.9420 11.9420 12.0043 12.0043 12.2020 12.2020 14.5547 14.5547 k = 0.5000-0.1940-0.2237 ( 9306 PWs) bands (ev): -90.8535 -90.8535 -6.6784 -6.6784 -5.4001 -5.4001 -3.9892 -3.9892 -2.4658 -2.4658 -2.3965 -2.3965 -1.0905 -1.0905 0.0193 0.0193 0.1059 0.1059 1.6711 1.6711 1.7036 1.7036 2.5636 2.5636 2.9371 2.9371 3.2345 3.2345 3.6923 3.6923 4.2821 4.2821 4.5495 4.5495 5.2621 5.2621 5.3719 5.3719 5.4518 5.4518 6.0985 6.0985 6.5630 6.5630 6.9670 6.9670 7.3732 7.3732 7.6857 7.6857 11.9511 11.9511 12.0077 12.0077 12.2016 12.2016 14.5854 14.5854 k = 0.5000-0.1844-0.2368 ( 9292 PWs) bands (ev): -90.8535 -90.8535 -6.6730 -6.6730 -5.3914 -5.3914 -4.0252 -4.0252 -2.4826 -2.4826 -2.3629 -2.3629 -1.1200 -1.1200 0.0408 0.0408 0.1267 0.1267 1.6356 1.6356 1.7143 1.7143 2.6134 2.6134 2.9332 2.9332 3.2618 3.2618 3.7082 3.7082 4.2833 4.2833 4.5450 4.5450 5.2341 5.2341 5.3732 5.3732 5.4175 5.4175 6.0484 6.0484 6.5790 6.5790 7.0009 7.0009 7.3369 7.3369 7.7031 7.7031 11.9611 11.9611 12.0121 12.0121 12.2024 12.2024 14.6213 14.6213 k = 0.5000-0.1747-0.2499 ( 9296 PWs) bands (ev): -90.8535 -90.8535 -6.6664 -6.6664 -5.3808 -5.3808 -4.0666 -4.0666 -2.5029 -2.5029 -2.3248 -2.3248 -1.1533 -1.1533 0.0671 0.0671 0.1488 0.1488 1.5952 1.5952 1.7307 1.7307 2.6712 2.6712 2.9318 2.9318 3.2830 3.2830 3.7332 3.7332 4.2847 4.2847 4.5392 4.5392 5.2043 5.2043 5.3565 5.3565 5.3951 5.3951 5.9836 5.9836 6.6078 6.6078 7.0333 7.0333 7.2979 7.2979 7.7190 7.7190 11.9709 11.9709 12.0175 12.0175 12.2053 12.2053 14.6580 14.6580 k = 0.5000-0.1651-0.2630 ( 9284 PWs) bands (ev): -90.8535 -90.8535 -6.6588 -6.6588 -5.3682 -5.3682 -4.1122 -4.1122 -2.5268 -2.5268 -2.2832 -2.2832 -1.1896 -1.1896 0.0982 0.0982 0.1710 0.1710 1.5510 1.5510 1.7540 1.7540 2.7357 2.7357 2.9329 2.9329 3.2949 3.2949 3.7689 3.7689 4.2858 4.2858 4.5322 4.5322 5.1741 5.1741 5.3107 5.3107 5.3968 5.3968 5.9075 5.9075 6.6460 6.6460 7.0635 7.0635 7.2569 7.2569 7.7328 7.7328 11.9792 11.9792 12.0237 12.0237 12.2113 12.2113 14.6866 14.6866 k = 0.5000-0.1554-0.2761 ( 9280 PWs) bands (ev): -90.8535 -90.8535 -6.6501 -6.6501 -5.3537 -5.3537 -4.1612 -4.1612 -2.5540 -2.5540 -2.2392 -2.2392 -1.2279 -1.2279 0.1340 0.1340 0.1926 0.1926 1.5042 1.5042 1.7850 1.7850 2.8059 2.8059 2.9363 2.9363 3.2960 3.2960 3.8157 3.8157 4.2865 4.2865 4.5236 4.5236 5.1448 5.1448 5.2552 5.2552 5.4040 5.4040 5.8233 5.8233 6.6899 6.6899 7.0915 7.0915 7.2141 7.2141 7.7441 7.7441 11.9847 11.9847 12.0307 12.0307 12.2214 12.2214 14.6895 14.6895 k = 0.5000-0.1458-0.2892 ( 9292 PWs) bands (ev): -90.8535 -90.8535 -6.6405 -6.6405 -5.3374 -5.3374 -4.2124 -4.2124 -2.5844 -2.5844 -2.1938 -2.1938 -1.2676 -1.2676 0.1745 0.1745 0.2129 0.2129 1.4559 1.4559 1.8240 1.8240 2.8808 2.8808 2.9418 2.9418 3.2863 3.2863 3.8723 3.8723 4.2863 4.2863 4.5136 4.5136 5.1172 5.1172 5.1945 5.1945 5.4132 5.4132 5.7335 5.7335 6.7362 6.7362 7.1176 7.1176 7.1700 7.1700 7.7526 7.7526 11.9870 11.9870 12.0383 12.0383 12.2360 12.2360 14.6487 14.6487 k = 0.5000-0.1361-0.3023 ( 9286 PWs) bands (ev): -90.8535 -90.8535 -6.6300 -6.6300 -5.3192 -5.3192 -4.2652 -4.2652 -2.6177 -2.6177 -2.1479 -2.1479 -1.3081 -1.3081 0.2194 0.2194 0.2316 0.2316 1.4070 1.4070 1.8713 1.8713 2.9491 2.9491 2.9594 2.9594 3.2670 3.2670 3.9368 3.9368 4.2843 4.2843 4.5021 4.5021 5.0923 5.0923 5.1306 5.1306 5.4241 5.4241 5.6400 5.6400 6.7821 6.7821 7.1247 7.1247 7.1427 7.1427 7.7582 7.7582 11.9858 11.9858 12.0460 12.0460 12.2550 12.2550 14.5743 14.5743 k = 0.5000-0.1265-0.3154 ( 9282 PWs) bands (ev): -90.8535 -90.8535 -6.6187 -6.6187 -5.2991 -5.2991 -4.3188 -4.3188 -2.6538 -2.6538 -2.1023 -2.1023 -1.3492 -1.3492 0.2488 0.2488 0.2687 0.2687 1.3584 1.3584 1.9266 1.9266 2.9578 2.9578 3.0409 3.0409 3.2396 3.2396 4.0070 4.0070 4.2796 4.2796 4.4896 4.4896 5.0651 5.0651 5.0705 5.0705 5.4365 5.4365 5.5447 5.5447 6.8250 6.8250 7.0785 7.0785 7.1680 7.1680 7.7607 7.7607 11.9817 11.9817 12.0535 12.0535 12.2780 12.2780 14.4855 14.4855 k = 0.5000-0.1168-0.3285 ( 9288 PWs) bands (ev): -90.8535 -90.8535 -6.6067 -6.6067 -5.2772 -5.2772 -4.3726 -4.3726 -2.6924 -2.6924 -2.0576 -2.0576 -1.3904 -1.3904 0.2647 0.2647 0.3221 0.3221 1.3110 1.3110 1.9895 1.9895 2.9674 2.9674 3.1242 3.1242 3.2053 3.2053 4.0809 4.0809 4.2706 4.2706 4.4767 4.4767 5.0000 5.0000 5.0523 5.0523 5.4491 5.4491 5.4504 5.4504 6.8623 6.8623 7.0316 7.0316 7.1948 7.1948 7.7601 7.7601 11.9754 11.9754 12.0603 12.0603 12.3042 12.3042 14.3911 14.3911 k = 0.5000-0.1072-0.3416 ( 9296 PWs) bands (ev): -90.8535 -90.8535 -6.5942 -6.5942 -5.2535 -5.2535 -4.4261 -4.4261 -2.7331 -2.7331 -2.0144 -2.0144 -1.4318 -1.4318 0.2797 0.2797 0.3790 0.3790 1.2655 1.2655 2.0594 2.0594 2.9770 2.9770 3.1656 3.1656 3.2083 3.2083 4.1564 4.1564 4.2554 4.2554 4.4647 4.4647 4.9371 4.9371 5.0378 5.0378 5.3549 5.3549 5.4656 5.4656 6.8917 6.8917 6.9840 6.9840 7.2247 7.2247 7.7563 7.7563 11.9676 11.9676 12.0658 12.0658 12.3331 12.3331 14.2948 14.2948 k = 0.5000-0.0975-0.3547 ( 9292 PWs) bands (ev): -90.8535 -90.8535 -6.5813 -6.5813 -5.2280 -5.2280 -4.4786 -4.4786 -2.7758 -2.7758 -1.9732 -1.9732 -1.4730 -1.4730 0.2942 0.2942 0.4389 0.4389 1.2230 1.2230 2.1355 2.1355 2.9849 2.9849 3.1228 3.1228 3.2916 3.2916 4.2317 4.2317 4.2325 4.2325 4.4551 4.4551 4.8782 4.8782 5.0271 5.0271 5.2642 5.2642 5.4823 5.4823 6.9119 6.9119 6.9360 6.9360 7.2582 7.2582 7.7495 7.7495 11.9590 11.9590 12.0695 12.0695 12.3642 12.3642 14.1982 14.1982 k = 0.5000-0.0879-0.3678 ( 9284 PWs) bands (ev): -90.8535 -90.8535 -6.5681 -6.5681 -5.2008 -5.2008 -4.5299 -4.5299 -2.8201 -2.8201 -1.9343 -1.9343 -1.5142 -1.5142 0.3088 0.3088 0.5010 0.5010 1.1843 1.1843 2.2168 2.2168 2.9857 2.9857 3.0825 3.0825 3.3719 3.3719 4.2017 4.2017 4.3047 4.3047 4.4491 4.4491 4.8248 4.8248 5.0198 5.0198 5.1798 5.1798 5.5003 5.5003 6.8877 6.8877 6.9226 6.9226 7.2952 7.2952 7.7396 7.7396 11.9502 11.9502 12.0706 12.0706 12.3972 12.3972 14.1022 14.1022 k = 0.5000-0.0782-0.3809 ( 9284 PWs) bands (ev): -90.8535 -90.8535 -6.5548 -6.5548 -5.1718 -5.1718 -4.5793 -4.5793 -2.8656 -2.8656 -1.8982 -1.8982 -1.5552 -1.5552 0.3239 0.3239 0.5638 0.5638 1.1510 1.1510 2.3022 2.3022 2.9654 2.9654 3.0589 3.0589 3.4455 3.4455 4.1664 4.1664 4.3717 4.3717 4.4468 4.4468 4.7776 4.7776 5.0143 5.0143 5.1069 5.1069 5.5196 5.5196 6.8391 6.8391 6.9243 6.9243 7.3346 7.3346 7.7269 7.7269 11.9417 11.9417 12.0687 12.0687 12.4320 12.4320 14.0074 14.0074 k = 0.5000-0.0686-0.3940 ( 9286 PWs) bands (ev): -90.8535 -90.8535 -6.5415 -6.5415 -5.1412 -5.1412 -4.6266 -4.6266 -2.9122 -2.9122 -1.8650 -1.8650 -1.5960 -1.5960 0.3400 0.3400 0.6253 0.6253 1.1249 1.1249 2.3905 2.3905 2.9194 2.9194 3.0569 3.0569 3.5066 3.5066 4.1336 4.1336 4.4283 4.4283 4.4479 4.4479 4.7366 4.7366 5.0023 5.0023 5.0587 5.0587 5.5402 5.5402 6.7904 6.7904 6.9182 6.9182 7.3750 7.3750 7.7114 7.7114 11.9337 11.9337 12.0633 12.0633 12.4688 12.4688 13.9140 13.9140 k = 0.5000-0.0589-0.4071 ( 9290 PWs) bands (ev): -90.8535 -90.8535 -6.5287 -6.5287 -5.1090 -5.1090 -4.6712 -4.6712 -2.9594 -2.9594 -1.8350 -1.8350 -1.6367 -1.6367 0.3575 0.3575 0.6823 0.6823 1.1091 1.1091 2.4801 2.4801 2.8609 2.8609 3.0634 3.0634 3.5463 3.5463 4.1145 4.1145 4.4515 4.4515 4.4678 4.4678 4.7012 4.7012 4.9771 4.9771 5.0488 5.0488 5.5619 5.5619 6.7415 6.7415 6.9054 6.9054 7.4151 7.4151 7.6934 7.6934 11.9267 11.9267 12.0541 12.0541 12.5075 12.5075 13.8221 13.8221 k = 0.5000-0.0493-0.4202 ( 9282 PWs) bands (ev): -90.8535 -90.8535 -6.5163 -6.5163 -5.0752 -5.0752 -4.7129 -4.7129 -3.0069 -3.0069 -1.8084 -1.8084 -1.6772 -1.6772 0.3767 0.3767 0.7305 0.7305 1.1073 1.1073 2.5688 2.5688 2.7967 2.7967 3.0717 3.0717 3.5563 3.5563 4.1206 4.1206 4.4569 4.4569 4.4839 4.4839 4.6709 4.6709 4.9640 4.9640 5.0587 5.0587 5.5846 5.5846 6.6925 6.6925 6.8868 6.8868 7.4536 7.4536 7.6733 7.6733 11.9208 11.9208 12.0411 12.0411 12.5485 12.5485 13.7317 13.7317 k = 0.5000-0.0396-0.4333 ( 9284 PWs) bands (ev): -90.8535 -90.8535 -6.5047 -6.5047 -5.0400 -5.0400 -4.7512 -4.7512 -3.0545 -3.0545 -1.7853 -1.7853 -1.7175 -1.7175 0.3979 0.3979 0.7653 0.7653 1.1233 1.1233 2.6530 2.6530 2.7295 2.7295 3.0795 3.0795 3.5367 3.5367 4.1560 4.1560 4.4634 4.4634 4.4761 4.4761 4.6449 4.6449 4.9728 4.9728 5.0793 5.0793 5.6081 5.6081 6.6434 6.6434 6.8636 6.8636 7.4896 7.4896 7.6514 7.6514 11.9163 11.9163 12.0245 12.0245 12.5919 12.5919 13.6428 13.6428 k = 0.5000-0.0300-0.4464 ( 9290 PWs) bands (ev): -90.8535 -90.8535 -6.4942 -6.4942 -5.0033 -5.0033 -4.7858 -4.7858 -3.1019 -3.1019 -1.7658 -1.7658 -1.7575 -1.7575 0.4214 0.4214 0.7855 0.7855 1.1574 1.1574 2.6611 2.6611 2.7272 2.7272 3.0855 3.0855 3.4996 3.4996 4.2150 4.2150 4.4517 4.4517 4.4702 4.4702 4.6230 4.6230 4.9962 4.9962 5.1108 5.1108 5.6324 5.6324 6.5941 6.5941 6.8363 6.8363 7.5225 7.5225 7.6281 7.6281 11.9131 11.9131 12.0046 12.0046 12.6380 12.6380 13.5556 13.5556 k = 0.5000-0.0203-0.4595 ( 9292 PWs) bands (ev): -90.8535 -90.8535 -6.4849 -6.4849 -4.9654 -4.9654 -4.8164 -4.8164 -3.1487 -3.1487 -1.7974 -1.7974 -1.7499 -1.7499 0.4473 0.4473 0.7942 0.7942 1.2049 1.2049 2.5931 2.5931 2.7819 2.7819 3.0892 3.0892 3.4634 3.4634 4.2888 4.2888 4.4204 4.4204 4.4760 4.4760 4.6059 4.6059 5.0244 5.0244 5.1538 5.1538 5.6570 5.6570 6.5447 6.5447 6.8058 6.8058 7.5515 7.5515 7.6039 7.6039 11.9113 11.9113 11.9820 11.9820 12.6871 12.6871 13.4699 13.4699 k = 0.5000-0.0107-0.4726 ( 9290 PWs) bands (ev): -90.8535 -90.8535 -6.4772 -6.4772 -4.9263 -4.9263 -4.8425 -4.8425 -3.1947 -3.1947 -1.8370 -1.8370 -1.7377 -1.7377 0.4757 0.4757 0.7962 0.7962 1.2589 1.2589 2.5276 2.5276 2.8043 2.8043 3.0900 3.0900 3.4473 3.4473 4.3705 4.3705 4.3893 4.3893 4.4796 4.4796 4.5949 4.5949 5.0526 5.0526 5.2058 5.2058 5.6819 5.6819 6.4951 6.4951 6.7730 6.7730 7.5764 7.5764 7.5796 7.5796 11.9110 11.9110 11.9575 11.9575 12.7392 12.7392 13.3858 13.3858 k = 0.5000-0.0010-0.4857 ( 9296 PWs) bands (ev): -90.8535 -90.8535 -6.4713 -6.4713 -4.8861 -4.8861 -4.8640 -4.8640 -3.2397 -3.2397 -1.8762 -1.8762 -1.7291 -1.7291 0.5067 0.5067 0.7956 0.7956 1.3125 1.3125 2.4672 2.4672 2.7849 2.7849 3.0877 3.0877 3.4647 3.4647 4.3629 4.3629 4.4513 4.4513 4.4828 4.4828 4.5924 4.5924 5.0803 5.0803 5.2627 5.2627 5.7066 5.7066 6.4452 6.4452 6.7385 6.7385 7.5555 7.5555 7.5968 7.5968 11.9119 11.9119 11.9319 11.9319 12.7945 12.7945 13.3034 13.3034 k = 0.5000 0.0086-0.4989 ( 9296 PWs) bands (ev): -90.8535 -90.8535 -6.4673 -6.4673 -4.8805 -4.8805 -4.8451 -4.8451 -3.2832 -3.2832 -1.9151 -1.9151 -1.7242 -1.7242 0.5404 0.5404 0.7948 0.7948 1.3594 1.3594 2.4155 2.4155 2.7266 2.7266 3.0826 3.0826 3.5148 3.5148 4.3436 4.3436 4.4668 4.4668 4.5418 4.5418 4.6043 4.6043 5.1080 5.1080 5.3203 5.3203 5.7309 5.7309 6.3949 6.3949 6.7035 6.7035 7.5327 7.5327 7.6126 7.6126 11.9060 11.9060 11.9140 11.9140 12.8530 12.8530 13.2228 13.2228 k = 0.5000 0.0183-0.5120 ( 9298 PWs) bands (ev): -90.8535 -90.8535 -6.4654 -6.4654 -4.8919 -4.8919 -4.8034 -4.8034 -3.3250 -3.3250 -1.9535 -1.9535 -1.7227 -1.7227 0.5767 0.5767 0.7954 0.7954 1.3934 1.3934 2.3764 2.3764 2.6406 2.6406 3.0753 3.0753 3.5873 3.5873 4.3329 4.3329 4.4564 4.4564 4.5889 4.5889 4.6573 4.6573 5.1365 5.1365 5.3758 5.3758 5.7543 5.7543 6.3445 6.3445 6.6690 6.6690 7.5118 7.5118 7.6237 7.6237 11.8805 11.8805 11.9171 11.9171 12.9146 12.9146 13.1439 13.1439 k = 0.5000 0.0279-0.5251 ( 9296 PWs) bands (ev): -90.8535 -90.8535 -6.4658 -6.4658 -4.8980 -4.8980 -4.7612 -4.7612 -3.3647 -3.3647 -1.9914 -1.9914 -1.7247 -1.7247 0.6158 0.6158 0.7979 0.7979 1.4093 1.4093 2.3537 2.3537 2.5372 2.5372 3.0670 3.0670 3.6723 3.6723 4.3314 4.3314 4.4423 4.4423 4.6118 4.6118 4.7404 4.7404 5.1659 5.1659 5.4267 5.4267 5.7763 5.7763 6.2940 6.2940 6.6364 6.6364 7.4936 7.4936 7.6300 7.6300 11.8561 11.8561 11.9209 11.9209 12.9791 12.9791 13.0669 13.0669 k = 0.5000 0.0376-0.5382 ( 9296 PWs) bands (ev): -90.8535 -90.8535 -6.4685 -6.4685 -4.8987 -4.8987 -4.7189 -4.7189 -3.4019 -3.4019 -2.0287 -2.0287 -1.7300 -1.7300 0.6574 0.6574 0.8027 0.8027 1.4039 1.4039 2.3488 2.3488 2.4231 2.4231 3.0594 3.0594 3.7629 3.7629 4.3389 4.3389 4.4268 4.4268 4.6352 4.6352 4.8267 4.8267 5.1962 5.1962 5.4709 5.4709 5.7958 5.7958 6.2442 6.2442 6.6070 6.6070 7.4790 7.4790 7.6316 7.6316 11.8334 11.8334 11.9251 11.9251 12.9919 12.9919 13.0460 13.0460 k = 0.5000 0.0472-0.5513 ( 9292 PWs) bands (ev): -90.8535 -90.8535 -6.4734 -6.4734 -4.8941 -4.8941 -4.6769 -4.6769 -3.4364 -3.4364 -2.0654 -2.0654 -1.7384 -1.7384 0.7017 0.7017 0.8096 0.8096 1.3774 1.3774 2.3021 2.3021 2.3601 2.3601 3.0550 3.0550 3.8543 3.8543 4.3552 4.3552 4.4107 4.4107 4.6626 4.6626 4.9113 4.9113 5.2273 5.2273 5.5064 5.5064 5.8117 5.8117 6.1963 6.1963 6.5826 6.5826 7.4687 7.4687 7.6285 7.6285 11.8129 11.8129 11.9294 11.9294 12.9189 12.9189 13.1148 13.1148 k = 0.5000 0.0569-0.5644 ( 9292 PWs) bands (ev): -90.8535 -90.8535 -6.4806 -6.4806 -4.8843 -4.8843 -4.6354 -4.6354 -3.4674 -3.4674 -2.1014 -2.1014 -1.7498 -1.7498 0.7485 0.7485 0.8178 0.8178 1.3333 1.3333 2.1768 2.1768 2.3823 2.3823 3.0566 3.0566 3.9430 3.9430 4.3797 4.3797 4.3949 4.3949 4.6954 4.6954 4.9926 4.9926 5.2590 5.2590 5.5319 5.5319 5.8214 5.8214 6.1529 6.1529 6.5645 6.5645 7.4633 7.4633 7.6210 7.6210 11.7949 11.7949 11.9335 11.9335 12.8481 12.8481 13.1845 13.1845 k = 0.5000 0.0665-0.5775 ( 9286 PWs) bands (ev): -90.8535 -90.8535 -6.4898 -6.4898 -4.8692 -4.8692 -4.5952 -4.5952 -3.4946 -3.4946 -2.1366 -2.1366 -1.7639 -1.7639 0.7978 0.7978 0.8260 0.8260 1.2771 1.2771 2.0486 2.0486 2.4084 2.4084 3.0678 3.0678 4.0256 4.0256 4.3802 4.3802 4.4115 4.4115 4.7346 4.7346 5.0696 5.0696 5.2907 5.2907 5.5464 5.5464 5.8211 5.8211 6.1181 6.1181 6.5541 6.5541 7.4633 7.4633 7.6093 7.6093 11.7798 11.7798 11.9369 11.9369 12.7797 12.7797 13.2533 13.2533 k = 0.7288 0.2124-0.1078 ( 9286 PWs) bands (ev): -90.8535 -90.8535 -6.4898 -6.4898 -4.8692 -4.8692 -4.5952 -4.5952 -3.4947 -3.4947 -2.1365 -2.1365 -1.7639 -1.7639 0.7978 0.7978 0.8260 0.8260 1.2772 1.2772 2.0485 2.0485 2.4085 2.4085 3.0678 3.0678 4.0256 4.0256 4.3801 4.3801 4.4116 4.4116 4.7346 4.7346 5.0696 5.0696 5.2907 5.2907 5.5464 5.5464 5.8211 5.8211 6.1182 6.1182 6.5541 6.5541 7.4633 7.4633 7.6093 7.6093 11.7798 11.7798 11.9369 11.9369 12.7797 12.7797 13.2533 13.2533 k = 0.7200 0.2165-0.0946 ( 9288 PWs) bands (ev): -90.8535 -90.8535 -6.5010 -6.5010 -4.8491 -4.8491 -4.5564 -4.5564 -3.5175 -3.5175 -2.1710 -2.1710 -1.7808 -1.7808 0.8316 0.8316 0.8499 0.8499 1.2153 1.2153 1.9178 1.9178 2.4323 2.4323 3.0915 3.0915 4.0991 4.0991 4.3675 4.3675 4.4504 4.4504 4.7817 4.7817 5.1414 5.1414 5.3216 5.3216 5.5503 5.5503 5.8062 5.8062 6.0973 6.0973 6.5520 6.5520 7.4692 7.4692 7.5934 7.5934 11.7675 11.7675 11.9394 11.9394 12.7134 12.7134 13.3184 13.3184 k = 0.7112 0.2206-0.0815 ( 9288 PWs) bands (ev): -90.8535 -90.8535 -6.5139 -6.5139 -4.8243 -4.8243 -4.5200 -4.5200 -3.5351 -3.5351 -2.2046 -2.2046 -1.8002 -1.8002 0.8291 0.8291 0.9043 0.9043 1.1566 1.1566 1.7859 1.7859 2.4488 2.4488 3.1298 3.1298 4.1589 4.1589 4.3595 4.3595 4.4953 4.4953 4.8373 4.8373 5.2062 5.2062 5.3494 5.3494 5.5456 5.5456 5.7748 5.7748 6.0934 6.0934 6.5580 6.5580 7.4809 7.4809 7.5736 7.5736 11.7583 11.7583 11.9405 11.9405 12.6498 12.6498 13.3726 13.3726 k = 0.7024 0.2247-0.0683 ( 9292 PWs) bands (ev): -90.8535 -90.8535 -6.5282 -6.5282 -4.7949 -4.7949 -4.4868 -4.4868 -3.5468 -3.5468 -2.2371 -2.2371 -1.8220 -1.8220 0.8101 0.8101 0.9610 0.9610 1.1120 1.1120 1.6537 1.6537 2.4563 2.4563 3.1822 3.1822 4.2004 4.2004 4.3598 4.3598 4.5455 4.5455 4.9014 4.9014 5.2623 5.2623 5.3693 5.3693 5.5379 5.5379 5.7306 5.7306 6.1050 6.1050 6.5713 6.5713 7.4986 7.4986 7.5503 7.5503 11.7520 11.7520 11.9399 11.9399 12.5892 12.5892 13.4022 13.4022 k = 0.6936 0.2288-0.0551 ( 9296 PWs) bands (ev): -90.8535 -90.8535 -6.5438 -6.5438 -4.7614 -4.7614 -4.4574 -4.4574 -3.5520 -3.5520 -2.2685 -2.2685 -1.8458 -1.8458 0.7671 0.7671 1.0199 1.0199 1.0906 1.0906 1.5215 1.5215 2.4550 2.4550 3.2470 3.2470 4.2206 4.2206 4.3714 4.3714 4.6002 4.6002 4.9728 4.9728 5.3073 5.3073 5.3733 5.3733 5.5373 5.5373 5.6800 5.6800 6.1285 6.1285 6.5904 6.5904 7.5218 7.5218 7.5238 7.5238 11.7485 11.7485 11.9374 11.9374 12.5318 12.5318 13.3921 13.3921 k = 0.6848 0.2329-0.0419 ( 9292 PWs) bands (ev): -90.8535 -90.8535 -6.5603 -6.5603 -4.7241 -4.7241 -4.4325 -4.4325 -3.5499 -3.5499 -2.2988 -2.2988 -1.8717 -1.8717 0.7024 0.7024 1.0807 1.0807 1.0916 1.0916 1.3899 1.3899 2.4467 2.4467 3.3211 3.3211 4.2235 4.2235 4.3912 4.3912 4.6585 4.6585 5.0495 5.0495 5.3366 5.3366 5.3555 5.3555 5.5512 5.5512 5.6319 5.6319 6.1608 6.1608 6.6137 6.6137 7.4943 7.4943 7.5503 7.5503 11.7474 11.7474 11.9329 11.9329 12.4781 12.4781 13.3463 13.3463 k = 0.6760 0.2370-0.0287 ( 9292 PWs) bands (ev): -90.8535 -90.8535 -6.5775 -6.5775 -4.6833 -4.6833 -4.4126 -4.4126 -3.5403 -3.5403 -2.3278 -2.3278 -1.8994 -1.8994 0.6241 0.6241 1.1077 1.1077 1.1431 1.1431 1.2595 1.2595 2.4336 2.4336 3.4018 3.4018 4.2167 4.2167 4.4129 4.4129 4.7192 4.7192 5.1285 5.1285 5.3206 5.3206 5.3416 5.3416 5.5776 5.5776 5.5983 5.5983 6.1999 6.1999 6.6397 6.6397 7.4622 7.4622 7.5833 7.5833 11.7484 11.7484 11.9261 11.9261 12.4284 12.4284 13.2810 13.2810 k = 0.6672 0.2411-0.0156 ( 9296 PWs) bands (ev): -90.8535 -90.8535 -6.5951 -6.5951 -4.6392 -4.6392 -4.3977 -4.3977 -3.5231 -3.5231 -2.3555 -2.3555 -1.9289 -1.9289 0.5388 0.5388 1.1274 1.1274 1.1327 1.1327 1.2103 1.2103 2.4174 2.4174 3.4864 3.4864 4.2052 4.2052 4.4325 4.4325 4.7804 4.7804 5.2062 5.2062 5.2768 5.2768 5.3154 5.3154 5.5902 5.5902 5.6109 5.6109 6.2443 6.2443 6.6668 6.6668 7.4278 7.4278 7.6202 7.6202 11.7509 11.7509 11.9171 11.9171 12.3832 12.3832 13.2065 13.2065 k = 0.6584 0.2452-0.0024 ( 9296 PWs) bands (ev): -90.8535 -90.8535 -6.6129 -6.6129 -4.5924 -4.5924 -4.3878 -4.3878 -3.4986 -3.4986 -2.3819 -2.3819 -1.9600 -1.9600 0.4506 0.4506 1.0001 1.0001 1.1632 1.1632 1.2758 1.2758 2.3995 2.3995 3.5731 3.5731 4.1915 4.1915 4.4488 4.4488 4.8385 4.8385 5.2316 5.2316 5.2602 5.2602 5.2815 5.2815 5.6069 5.6069 5.6480 5.6480 6.2927 6.2927 6.6939 6.6939 7.3915 7.3915 7.6604 7.6604 11.7543 11.7543 11.9059 11.9059 12.3430 12.3430 13.1275 13.1275 k = 0.6496 0.2493 0.0108 ( 9300 PWs) bands (ev): -90.8535 -90.8535 -6.6308 -6.6308 -4.5431 -4.5431 -4.3824 -4.3824 -3.4672 -3.4672 -2.4068 -2.4068 -1.9926 -1.9926 0.3617 0.3617 0.8737 0.8737 1.1972 1.1972 1.3437 1.3437 2.3812 2.3812 3.6601 3.6601 4.1767 4.1767 4.4611 4.4611 4.8861 4.8861 5.1946 5.1946 5.1961 5.1961 5.3413 5.3413 5.6421 5.6421 5.6874 5.6874 6.3439 6.3439 6.7199 6.7199 7.3538 7.3538 7.7030 7.7030 11.7578 11.7578 11.8928 11.8928 12.3086 12.3086 13.0465 13.0465 k = 0.6408 0.2533 0.0240 ( 9290 PWs) bands (ev): -90.8535 -90.8535 -6.6484 -6.6484 -4.4916 -4.4916 -4.3811 -4.3811 -3.4298 -3.4298 -2.4301 -2.4301 -2.0266 -2.0266 0.2738 0.2738 0.7494 0.7494 1.2332 1.2332 1.4131 1.4131 2.3633 2.3633 3.7463 3.7463 4.1612 4.1612 4.4691 4.4691 4.9090 4.9090 5.1239 5.1239 5.1812 5.1812 5.3893 5.3893 5.6925 5.6925 5.7285 5.7285 6.3966 6.3966 6.7442 6.7442 7.3149 7.3149 7.7474 7.7474 11.7604 11.7604 11.8780 11.8780 12.2806 12.2806 12.9650 12.9650 k = 0.6320 0.2574 0.0372 ( 9296 PWs) bands (ev): -90.8535 -90.8535 -6.6657 -6.6657 -4.4383 -4.4383 -4.3830 -4.3830 -3.3874 -3.3874 -2.4519 -2.4519 -2.0620 -2.0620 0.1879 0.1879 0.6274 0.6274 1.2705 1.2705 1.4837 1.4837 2.3464 2.3464 3.8306 3.8306 4.1452 4.1452 4.4723 4.4723 4.8960 4.8960 5.0504 5.0504 5.2029 5.2029 5.4234 5.4234 5.7549 5.7549 5.7709 5.7709 6.4499 6.4499 6.7660 6.7660 7.2753 7.2753 7.7928 7.7928 11.7616 11.7616 11.8617 11.8617 12.2594 12.2594 12.8840 12.8840 k = 0.6232 0.2615 0.0503 ( 9286 PWs) bands (ev): -90.8535 -90.8535 -6.6825 -6.6825 -4.3874 -4.3874 -4.3837 -4.3837 -3.3410 -3.3410 -2.4719 -2.4719 -2.0985 -2.0985 0.1048 0.1048 0.5083 0.5083 1.3081 1.3081 1.5552 1.5552 2.3311 2.3311 3.9121 3.9121 4.1289 4.1289 4.4699 4.4699 4.8562 4.8562 4.9789 4.9789 5.2508 5.2508 5.4463 5.4463 5.8147 5.8147 5.8252 5.8252 6.5028 6.5028 6.7847 6.7847 7.2355 7.2355 7.8386 7.8386 11.7605 11.7605 11.8443 11.8443 12.2455 12.2455 12.8042 12.8042 k = 0.6144 0.2656 0.0635 ( 9274 PWs) bands (ev): -90.8535 -90.8535 -6.6986 -6.6986 -4.3937 -4.3937 -4.3280 -4.3280 -3.2915 -3.2915 -2.4901 -2.4901 -2.1361 -2.1361 0.0251 0.0251 0.3924 0.3924 1.3455 1.3455 1.6273 1.6273 2.3179 2.3179 3.9896 3.9896 4.1120 4.1120 4.4605 4.4605 4.8044 4.8044 4.9126 4.9126 5.3103 5.3103 5.4612 5.4612 5.8600 5.8600 5.8993 5.8993 6.5545 6.5545 6.8001 6.8001 7.1958 7.1958 7.8840 7.8840 11.7570 11.7570 11.8262 11.8262 12.2389 12.2389 12.7262 12.7262 k = 0.6056 0.2697 0.0767 ( 9278 PWs) bands (ev): -90.8535 -90.8535 -6.7139 -6.7139 -4.4013 -4.4013 -4.2717 -4.2717 -3.2402 -3.2402 -2.5063 -2.5063 -2.1746 -2.1746 -0.0505 -0.0505 0.2802 0.2802 1.3820 1.3820 1.6998 1.6998 2.3070 2.3070 4.0622 4.0622 4.0942 4.0942 4.4428 4.4428 4.7490 4.7490 4.8545 4.8545 5.3731 5.3731 5.4709 5.4709 5.9073 5.9073 5.9741 5.9741 6.6041 6.6041 6.8116 6.8116 7.1569 7.1569 7.9285 7.9285 11.7510 11.7510 11.8077 11.8077 12.2390 12.2390 12.6507 12.6507 k = 0.5968 0.2738 0.0899 ( 9286 PWs) bands (ev): -90.8535 -90.8535 -6.7284 -6.7284 -4.4096 -4.4096 -4.2153 -4.2153 -3.1880 -3.1880 -2.5203 -2.5203 -2.2138 -2.2138 -0.1216 -0.1216 0.1720 0.1720 1.4170 1.4170 1.7723 1.7723 2.2986 2.2986 4.0750 4.0750 4.1281 4.1281 4.4158 4.4158 4.6952 4.6952 4.8071 4.8071 5.4347 5.4347 5.4770 5.4770 5.9567 5.9567 6.0476 6.0476 6.6510 6.6510 6.8191 6.8191 7.1192 7.1192 7.9715 7.9715 11.7429 11.7429 11.7891 11.7891 12.2450 12.2450 12.5782 12.5782 k = 0.5880 0.2779 0.1030 ( 9280 PWs) bands (ev): -90.8535 -90.8535 -6.7418 -6.7418 -4.4182 -4.4182 -4.1594 -4.1594 -3.1360 -3.1360 -2.5320 -2.5320 -2.2533 -2.2533 -0.1877 -0.1877 0.0687 0.0687 1.4500 1.4500 1.8442 1.8442 2.2930 2.2930 4.0537 4.0537 4.1850 4.1850 4.3804 4.3804 4.6469 4.6469 4.7713 4.7713 5.4808 5.4808 5.4924 5.4924 6.0086 6.0086 6.1184 6.1184 6.6946 6.6946 6.8221 6.8221 7.0833 7.0833 8.0124 8.0124 11.7334 11.7334 11.7709 11.7709 12.2559 12.2559 12.5094 12.5094 k = 0.5792 0.2820 0.1162 ( 9278 PWs) bands (ev): -90.8535 -90.8535 -6.7542 -6.7542 -4.4269 -4.4269 -4.1044 -4.1044 -3.0854 -3.0854 -2.5412 -2.5412 -2.2929 -2.2929 -0.2485 -0.2485 -0.0293 -0.0293 1.4805 1.4805 1.9149 1.9149 2.2901 2.2901 4.0294 4.0294 4.2289 4.2289 4.3398 4.3398 4.6090 4.6090 4.7459 4.7459 5.4831 5.4831 5.5445 5.5445 6.0631 6.0631 6.1855 6.1855 6.7344 6.7344 6.8206 6.8206 7.0497 7.0497 8.0510 8.0510 11.7232 11.7232 11.7534 11.7534 12.2703 12.2703 12.4447 12.4447 k = 0.5704 0.2861 0.1294 ( 9288 PWs) bands (ev): -90.8535 -90.8535 -6.7655 -6.7655 -4.4352 -4.4352 -4.0512 -4.0512 -3.0374 -3.0374 -2.5475 -2.5475 -2.3319 -2.3319 -0.3037 -0.3037 -0.1212 -0.1212 1.5081 1.5081 1.9838 1.9838 2.2898 2.2898 4.0009 4.0009 4.2552 4.2552 4.2982 4.2982 4.5871 4.5871 4.7286 4.7286 5.4842 5.4842 5.5899 5.5899 6.1200 6.1200 6.2480 6.2480 6.7701 6.7701 6.8143 6.8143 7.0189 7.0189 8.0866 8.0866 11.7128 11.7128 11.7368 11.7368 12.2869 12.2869 12.3847 12.3847 k = 0.5616 0.2902 0.1426 ( 9298 PWs) bands (ev): -90.8535 -90.8535 -6.7756 -6.7756 -4.4429 -4.4429 -4.0004 -4.0004 -2.9932 -2.9932 -2.5509 -2.5509 -2.3697 -2.3697 -0.3529 -0.3529 -0.2061 -0.2061 1.5325 1.5325 2.0499 2.0499 2.2917 2.2917 3.9678 3.9678 4.2592 4.2592 4.2614 4.2614 4.5844 4.5844 4.7172 4.7172 5.4846 5.4846 5.6282 5.6282 6.1786 6.1786 6.3054 6.3054 6.8012 6.8012 6.8034 6.8034 6.9912 6.9912 8.1190 8.1190 11.7029 11.7029 11.7214 11.7214 12.3047 12.3047 12.3301 12.3301 k = 0.5528 0.2943 0.1558 ( 9290 PWs) bands (ev): -90.8535 -90.8535 -6.7844 -6.7844 -4.4500 -4.4500 -3.9531 -3.9531 -2.9539 -2.9539 -2.5512 -2.5512 -2.4057 -2.4057 -0.3959 -0.3959 -0.2830 -0.2830 1.5535 1.5535 2.1122 2.1122 2.2956 2.2956 3.9305 3.9305 4.2273 4.2273 4.2494 4.2494 4.5979 4.5979 4.7097 4.7097 5.4847 5.4847 5.6595 5.6595 6.2382 6.2382 6.3570 6.3570 6.7878 6.7878 6.8280 6.8280 6.9669 6.9669 8.1477 8.1477 11.6937 11.6937 11.7076 11.7076 12.2814 12.2814 12.3226 12.3226 k = 0.5440 0.2984 0.1689 ( 9284 PWs) bands (ev): -90.8535 -90.8535 -6.7920 -6.7920 -4.4562 -4.4562 -3.9101 -3.9101 -2.9205 -2.9205 -2.5487 -2.5487 -2.4389 -2.4389 -0.4326 -0.4326 -0.3509 -0.3509 1.5711 1.5711 2.1693 2.1693 2.3006 2.3006 3.8908 3.8908 4.2018 4.2018 4.2286 4.2286 4.6200 4.6200 4.7047 4.7047 5.4844 5.4844 5.6842 5.6842 6.2974 6.2974 6.4021 6.4021 6.7679 6.7679 6.8500 6.8500 6.9461 6.9461 8.1726 8.1726 11.6856 11.6856 11.6955 11.6955 12.2391 12.2391 12.3394 12.3394 k = 0.5352 0.3025 0.1821 ( 9298 PWs) bands (ev): -90.8535 -90.8535 -6.7982 -6.7982 -4.4614 -4.4614 -3.8726 -3.8726 -2.8937 -2.8937 -2.5439 -2.5439 -2.4683 -2.4683 -0.4629 -0.4629 -0.4086 -0.4086 1.5852 1.5852 2.2197 2.2197 2.3061 2.3061 3.8519 3.8519 4.1827 4.1827 4.2054 4.2054 4.6441 4.6441 4.7015 4.7015 5.4841 5.4841 5.7030 5.7030 6.3549 6.3549 6.4402 6.4402 6.7443 6.7443 6.8676 6.8676 6.9288 6.9288 8.1933 8.1933 11.6788 11.6788 11.6852 11.6852 12.2037 12.2037 12.3545 12.3545 k = 0.5264 0.3066 0.1953 ( 9300 PWs) bands (ev): -90.8535 -90.8535 -6.8031 -6.8031 -4.4655 -4.4655 -3.8419 -3.8419 -2.8734 -2.8734 -2.5379 -2.5379 -2.4927 -2.4927 -0.4864 -0.4864 -0.4550 -0.4550 1.5959 1.5959 2.2616 2.2616 2.3115 2.3115 3.8171 3.8171 4.1691 4.1691 4.1841 4.1841 4.6659 4.6659 4.6994 4.6994 5.4837 5.4837 5.7166 5.7166 6.4092 6.4092 6.4707 6.4707 6.7177 6.7177 6.8808 6.8808 6.9152 6.9152 8.2097 8.2097 11.6734 11.6734 11.6771 11.6771 12.1757 12.1757 12.3671 12.3671 k = 0.5176 0.3107 0.2085 ( 9298 PWs) bands (ev): -90.8535 -90.8535 -6.8065 -6.8065 -4.4685 -4.4685 -3.8189 -3.8189 -2.8596 -2.8596 -2.5322 -2.5322 -2.5111 -2.5111 -0.5034 -0.5034 -0.4891 -0.4891 1.6035 1.6035 2.2933 2.2933 2.3159 2.3159 3.7895 3.7895 4.1600 4.1600 4.1675 4.1675 4.6829 4.6829 4.6982 4.6982 5.4834 5.4834 5.7257 5.7257 6.4576 6.4576 6.4930 6.4930 6.6897 6.6897 6.8900 6.8900 6.9052 6.9052 8.2215 8.2215 11.6695 11.6695 11.6712 11.6712 12.1554 12.1554 12.3765 12.3765 k = 0.5088 0.3148 0.2216 ( 9290 PWs) bands (ev): -90.8535 -90.8535 -6.8086 -6.8086 -4.4703 -4.4703 -3.8046 -3.8046 -2.8515 -2.8515 -2.5281 -2.5281 -2.5226 -2.5226 -0.5135 -0.5135 -0.5099 -0.5099 1.6080 1.6080 2.3131 2.3131 2.3188 2.3188 3.7719 3.7719 4.1546 4.1546 4.1572 4.1572 4.6936 4.6936 4.6975 4.6975 5.4832 5.4832 5.7309 5.7309 6.4952 6.4952 6.5067 6.5067 6.6645 6.6645 6.8953 6.8953 6.8991 6.8991 8.2286 8.2286 11.6671 11.6671 11.6676 11.6676 12.1431 12.1431 12.3823 12.3823 k = 0.5000 0.3188 0.2348 ( 9286 PWs) bands (ev): -90.8535 -90.8535 -6.8093 -6.8093 -4.4709 -4.4709 -3.7998 -3.7998 -2.8489 -2.8489 -2.5266 -2.5266 -2.5265 -2.5265 -0.5171 -0.5171 -0.5167 -0.5167 1.6094 1.6094 2.3198 2.3198 2.3198 2.3198 3.7658 3.7658 4.1524 4.1524 4.1541 4.1541 4.6972 4.6972 4.6974 4.6974 5.4832 5.4832 5.7326 5.7326 6.5095 6.5095 6.5126 6.5126 6.6531 6.6531 6.8970 6.8970 6.8972 6.8972 8.2310 8.2310 11.6662 11.6662 11.6665 11.6665 12.1390 12.1390 12.3843 12.3843 k = 0.5000 0.3188 0.2348 ( 9286 PWs) bands (ev): -90.8535 -90.8535 -6.8093 -6.8093 -4.4709 -4.4709 -3.7998 -3.7998 -2.8489 -2.8489 -2.5266 -2.5266 -2.5265 -2.5265 -0.5171 -0.5171 -0.5167 -0.5167 1.6094 1.6094 2.3198 2.3198 2.3198 2.3198 3.7658 3.7658 4.1524 4.1524 4.1541 4.1541 4.6972 4.6972 4.6974 4.6974 5.4832 5.4832 5.7326 5.7326 6.5095 6.5095 6.5126 6.5126 6.6531 6.6531 6.8970 6.8970 6.8972 6.8972 8.2310 8.2310 11.6662 11.6662 11.6665 11.6665 12.1390 12.1390 12.3843 12.3843 k = 0.4872 0.3107 0.2288 ( 9298 PWs) bands (ev): -90.8535 -90.8535 -6.8107 -6.8107 -4.4690 -4.4690 -3.7996 -3.7996 -2.8479 -2.8479 -2.5263 -2.5263 -2.5263 -2.5263 -0.5159 -0.5159 -0.5154 -0.5154 1.6079 1.6079 2.3139 2.3139 2.3140 2.3140 3.7668 3.7668 4.1550 4.1550 4.1568 4.1568 4.7002 4.7002 4.7004 4.7004 5.4772 5.4772 5.7345 5.7345 6.5081 6.5081 6.5111 6.5111 6.6522 6.6522 6.8952 6.8952 6.8955 6.8955 8.2288 8.2288 11.6711 11.6711 11.6714 11.6714 12.1416 12.1416 12.3875 12.3875 k = 0.4744 0.3025 0.2228 ( 9298 PWs) bands (ev): -90.8535 -90.8535 -6.8146 -6.8146 -4.4633 -4.4633 -3.7987 -3.7987 -2.8451 -2.8451 -2.5256 -2.5256 -2.5255 -2.5255 -0.5120 -0.5120 -0.5116 -0.5116 1.6034 1.6034 2.2966 2.2966 2.2967 2.2967 3.7696 3.7696 4.1624 4.1624 4.1642 4.1642 4.7096 4.7096 4.7097 4.7097 5.4599 5.4599 5.7395 5.7395 6.5037 6.5037 6.5066 6.5066 6.6498 6.6498 6.8903 6.8903 6.8904 6.8904 8.2225 8.2225 11.6858 11.6858 11.6861 11.6861 12.1494 12.1494 12.3971 12.3971 k = 0.4615 0.2943 0.2168 ( 9298 PWs) bands (ev): -90.8535 -90.8535 -6.8210 -6.8210 -4.4539 -4.4539 -3.7974 -3.7974 -2.8405 -2.8405 -2.5244 -2.5244 -2.5244 -2.5244 -0.5056 -0.5056 -0.5052 -0.5052 1.5960 1.5960 2.2686 2.2686 2.2686 2.2686 3.7744 3.7744 4.1730 4.1730 4.1748 4.1748 4.7262 4.7262 4.7263 4.7263 5.4327 5.4327 5.7464 5.7464 6.4960 6.4960 6.4988 6.4988 6.6457 6.6457 6.8827 6.8827 6.8827 6.8827 8.2121 8.2121 11.7100 11.7100 11.7103 11.7103 12.1623 12.1623 12.4130 12.4130 k = 0.4487 0.2861 0.2107 ( 9286 PWs) bands (ev): -90.8535 -90.8535 -6.8299 -6.8299 -4.4410 -4.4410 -3.7955 -3.7955 -2.8339 -2.8339 -2.5228 -2.5228 -2.5227 -2.5227 -0.4967 -0.4967 -0.4962 -0.4962 1.5858 1.5858 2.2309 2.2309 2.2310 2.2310 3.7807 3.7807 4.1843 4.1843 4.1862 4.1862 4.7511 4.7511 4.7512 4.7512 5.3972 5.3972 5.7537 5.7537 6.4842 6.4842 6.4869 6.4869 6.6400 6.6400 6.8732 6.8732 6.8734 6.8734 8.1979 8.1979 11.7432 11.7432 11.7435 11.7435 12.1802 12.1802 12.4351 12.4351 k = 0.4359 0.2780 0.2047 ( 9274 PWs) bands (ev): -90.8535 -90.8535 -6.8411 -6.8411 -4.4247 -4.4247 -3.7931 -3.7931 -2.8253 -2.8253 -2.5206 -2.5206 -2.5206 -2.5206 -0.4853 -0.4853 -0.4848 -0.4848 1.5729 1.5729 2.1850 2.1850 2.1851 2.1851 3.7886 3.7886 4.1940 4.1940 4.1959 4.1959 4.7857 4.7857 4.7859 4.7859 5.3546 5.3546 5.7605 5.7605 6.4678 6.4678 6.4703 6.4703 6.6328 6.6328 6.8632 6.8632 6.8636 6.8636 8.1801 8.1801 11.7850 11.7850 11.7852 11.7852 12.2031 12.2031 12.4636 12.4636 k = 0.4231 0.2698 0.1987 ( 9268 PWs) bands (ev): -90.8535 -90.8535 -6.8544 -6.8544 -4.4054 -4.4054 -3.7902 -3.7902 -2.8148 -2.8148 -2.5180 -2.5180 -2.5179 -2.5179 -0.4714 -0.4714 -0.4710 -0.4710 1.5575 1.5575 2.1322 2.1322 2.1323 2.1323 3.7976 3.7976 4.1996 4.1996 4.2016 4.2016 4.8307 4.8307 4.8309 4.8309 5.3058 5.3058 5.7662 5.7662 6.4460 6.4460 6.4482 6.4482 6.6241 6.6241 6.8539 6.8539 6.8545 6.8545 8.1592 8.1592 11.8345 11.8345 11.8348 11.8348 12.2310 12.2310 12.4981 12.4981 k = 0.4103 0.2616 0.1927 ( 9274 PWs) bands (ev): -90.8535 -90.8535 -6.8696 -6.8696 -4.3832 -4.3832 -3.7867 -3.7867 -2.8022 -2.8022 -2.5149 -2.5149 -2.5148 -2.5148 -0.4552 -0.4552 -0.4547 -0.4547 1.5399 1.5399 2.0739 2.0739 2.0739 2.0739 3.8074 3.8074 4.1998 4.1998 4.2017 4.2017 4.8863 4.8863 4.8866 4.8866 5.2514 5.2514 5.7705 5.7705 6.4184 6.4184 6.4203 6.4203 6.6141 6.6141 6.8463 6.8463 6.8472 6.8472 8.1355 8.1355 11.8911 11.8911 11.8913 11.8913 12.2636 12.2636 12.5388 12.5388 k = 0.3974 0.2534 0.1867 ( 9265 PWs) bands (ev): -90.8535 -90.8535 -6.8866 -6.8866 -4.3586 -4.3586 -3.7828 -3.7828 -2.7876 -2.7876 -2.5113 -2.5113 -2.5113 -2.5113 -0.4366 -0.4366 -0.4362 -0.4362 1.5203 1.5203 2.0112 2.0112 2.0113 2.0113 3.8178 3.8178 4.1937 4.1937 4.1957 4.1957 4.9519 4.9519 4.9523 4.9523 5.1918 5.1918 5.7736 5.7736 6.3847 6.3847 6.3864 6.3864 6.6028 6.6028 6.8413 6.8413 6.8425 6.8425 8.1094 8.1094 11.9539 11.9539 11.9541 11.9541 12.3010 12.3010 12.5853 12.5853 k = 0.3846 0.2453 0.1806 ( 9277 PWs) bands (ev): -90.8535 -90.8535 -6.9051 -6.9051 -4.3318 -4.3318 -3.7785 -3.7785 -2.7708 -2.7708 -2.5073 -2.5073 -2.5072 -2.5072 -0.4158 -0.4158 -0.4154 -0.4154 1.4989 1.4989 1.9453 1.9453 1.9454 1.9454 3.8283 3.8283 4.1814 4.1814 4.1834 4.1834 5.0265 5.0265 5.0269 5.0269 5.1274 5.1274 5.7757 5.7757 6.3455 6.3455 6.3469 6.3469 6.5903 6.5903 6.8391 6.8391 6.8407 6.8407 8.0814 8.0814 12.0219 12.0219 12.0221 12.0221 12.3429 12.3429 12.6378 12.6378 k = 0.3718 0.2371 0.1746 ( 9283 PWs) bands (ev): -90.8535 -90.8535 -6.9249 -6.9249 -4.3033 -4.3033 -3.7736 -3.7736 -2.7517 -2.7517 -2.5027 -2.5027 -2.5026 -2.5026 -0.3929 -0.3929 -0.3924 -0.3924 1.4759 1.4759 1.8772 1.8772 1.8772 1.8772 3.8387 3.8387 4.1631 4.1631 4.1650 4.1650 5.0584 5.0584 5.1087 5.1087 5.1091 5.1091 5.7770 5.7770 6.3012 6.3012 6.3024 6.3024 6.5768 6.5768 6.8399 6.8399 6.8417 6.8417 8.0517 8.0517 12.0942 12.0942 12.0944 12.0944 12.3893 12.3893 12.6959 12.6959 k = 0.3590 0.2289 0.1686 ( 9277 PWs) bands (ev): -90.8535 -90.8535 -6.9457 -6.9457 -4.2733 -4.2733 -3.7684 -3.7684 -2.7305 -2.7305 -2.4977 -2.4977 -2.4976 -2.4976 -0.3679 -0.3679 -0.3675 -0.3675 1.4517 1.4517 1.8076 1.8076 1.8077 1.8077 3.8484 3.8484 4.1392 4.1392 4.1411 4.1411 4.9852 4.9852 5.1972 5.1972 5.1976 5.1976 5.7779 5.7779 6.2529 6.2529 6.2539 6.2539 6.5623 6.5623 6.8435 6.8435 6.8455 6.8455 8.0208 8.0208 12.1700 12.1700 12.1701 12.1701 12.4400 12.4400 12.7596 12.7596 k = 0.3462 0.2207 0.1626 ( 9265 PWs) bands (ev): -90.8535 -90.8535 -6.9675 -6.9675 -4.2423 -4.2423 -3.7628 -3.7628 -2.7068 -2.7068 -2.4922 -2.4922 -2.4921 -2.4921 -0.3410 -0.3410 -0.3406 -0.3406 1.4265 1.4265 1.7374 1.7374 1.7375 1.7375 3.8571 3.8571 4.1102 4.1102 4.1121 4.1121 4.9081 4.9081 5.2908 5.2908 5.2912 5.2912 5.7790 5.7790 6.2015 6.2015 6.2024 6.2024 6.5470 6.5470 6.8494 6.8494 6.8516 6.8516 7.9888 7.9888 12.2481 12.2481 12.2483 12.2483 12.4950 12.4950 12.8287 12.8287 k = 0.3333 0.2126 0.1566 ( 9277 PWs) bands (ev): -90.8535 -90.8535 -6.9899 -6.9899 -4.2106 -4.2106 -3.7569 -3.7569 -2.6809 -2.6809 -2.4862 -2.4862 -2.4861 -2.4861 -0.3124 -0.3124 -0.3119 -0.3119 1.4006 1.4006 1.6672 1.6672 1.6672 1.6672 3.8645 3.8645 4.0765 4.0765 4.0782 4.0782 4.8275 4.8275 5.3883 5.3883 5.3886 5.3886 5.7805 5.7805 6.1480 6.1480 6.1488 6.1488 6.5311 6.5311 6.8573 6.8573 6.8597 6.8597 7.9561 7.9561 12.3278 12.3278 12.3279 12.3279 12.5541 12.5541 12.9032 12.9032 k = 0.3205 0.2044 0.1505 ( 9271 PWs) bands (ev): -90.8535 -90.8535 -7.0128 -7.0128 -4.1786 -4.1786 -3.7506 -3.7506 -2.6525 -2.6525 -2.4798 -2.4798 -2.4797 -2.4797 -0.2821 -0.2821 -0.2816 -0.2816 1.3741 1.3741 1.5975 1.5975 1.5976 1.5976 3.8700 3.8700 4.0383 4.0383 4.0400 4.0400 4.7437 4.7437 5.4886 5.4886 5.4889 5.4889 5.7830 5.7830 6.0936 6.0936 6.0942 6.0942 6.5145 6.5145 6.8669 6.8669 6.8695 6.8695 7.9228 7.9228 12.4080 12.4080 12.4081 12.4081 12.6172 12.6172 12.9827 12.9827 k = 0.3077 0.1962 0.1445 ( 9289 PWs) bands (ev): -90.8535 -90.8535 -7.0359 -7.0359 -4.1465 -4.1465 -3.7442 -3.7442 -2.6217 -2.6217 -2.4729 -2.4729 -2.4728 -2.4728 -0.2504 -0.2504 -0.2500 -0.2500 1.3474 1.3474 1.5289 1.5289 1.5290 1.5290 3.8735 3.8735 3.9960 3.9960 3.9977 3.9977 4.6572 4.6572 5.5904 5.5904 5.5907 5.5907 5.7868 5.7868 6.0394 6.0394 6.0400 6.0400 6.4976 6.4976 6.8779 6.8779 6.8806 6.8806 7.8892 7.8892 12.4880 12.4880 12.4881 12.4881 12.6842 12.6842 13.0673 13.0673 k = 0.2949 0.1880 0.1385 ( 9307 PWs) bands (ev): -90.8535 -90.8535 -7.0592 -7.0592 -4.1146 -4.1146 -3.7375 -3.7375 -2.5885 -2.5885 -2.4656 -2.4656 -2.4655 -2.4655 -0.2176 -0.2176 -0.2171 -0.2171 1.3206 1.3206 1.4618 1.4618 1.4620 1.4620 3.8743 3.8743 3.9499 3.9499 3.9515 3.9515 4.5688 4.5688 5.6918 5.6918 5.6920 5.6920 5.7922 5.7922 5.9875 5.9875 5.9880 5.9880 6.4803 6.4803 6.8900 6.8900 6.8927 6.8927 7.8552 7.8552 12.5670 12.5670 12.5671 12.5671 12.7549 12.7549 13.1567 13.1567 k = 0.2821 0.1799 0.1325 ( 9292 PWs) bands (ev): -90.8535 -90.8535 -7.0824 -7.0824 -4.0833 -4.0833 -3.7306 -3.7306 -2.5530 -2.5530 -2.4579 -2.4579 -2.4579 -2.4579 -0.1838 -0.1838 -0.1833 -0.1833 1.2940 1.2940 1.3969 1.3969 1.3970 1.3970 3.8720 3.8720 3.9002 3.9002 3.9018 3.9018 4.4792 4.4792 5.7855 5.7855 5.7856 5.7856 5.7996 5.7996 5.9452 5.9452 5.9455 5.9455 6.4628 6.4628 6.9029 6.9029 6.9057 6.9057 7.8211 7.8211 12.6442 12.6442 12.6442 12.6442 12.8291 12.8291 13.2508 13.2508 k = 0.2692 0.1717 0.1264 ( 9292 PWs) bands (ev): -90.8535 -90.8535 -7.1055 -7.1055 -4.0528 -4.0528 -3.7237 -3.7237 -2.5153 -2.5153 -2.4499 -2.4499 -2.4498 -2.4498 -0.1494 -0.1494 -0.1489 -0.1489 1.2677 1.2677 1.3345 1.3345 1.3346 1.3346 3.8472 3.8472 3.8487 3.8487 3.8660 3.8660 4.3895 4.3895 5.8090 5.8090 5.8286 5.8286 5.8292 5.8292 5.9548 5.9548 5.9552 5.9552 6.4453 6.4453 6.9164 6.9164 6.9193 6.9193 7.7869 7.7869 12.7190 12.7190 12.7190 12.7190 12.9067 12.9067 13.3494 13.3494 k = 0.2564 0.1635 0.1204 ( 9310 PWs) bands (ev): -90.8535 -90.8535 -7.1282 -7.1282 -4.0232 -4.0232 -3.7168 -3.7168 -2.4754 -2.4754 -2.4415 -2.4415 -2.4415 -2.4415 -0.1147 -0.1147 -0.1143 -0.1143 1.2420 1.2420 1.2751 1.2751 1.2752 1.2752 3.7912 3.7912 3.7926 3.7926 3.8551 3.8551 4.3012 4.3012 5.7989 5.7989 5.7997 5.7997 5.8206 5.8206 6.0388 6.0388 6.0394 6.0394 6.4278 6.4278 6.9303 6.9303 6.9333 6.9333 7.7526 7.7526 12.7908 12.7908 12.7909 12.7909 12.9876 12.9876 13.4524 13.4524 k = 0.2436 0.1553 0.1144 ( 9307 PWs) bands (ev): -90.8535 -90.8535 -7.1504 -7.1504 -3.9947 -3.9947 -3.7099 -3.7099 -2.4336 -2.4336 -2.4329 -2.4329 -2.4328 -2.4328 -0.0803 -0.0803 -0.0798 -0.0798 1.2170 1.2170 1.2192 1.2192 1.2194 1.2194 3.7324 3.7324 3.7337 3.7337 3.8376 3.8376 4.2165 4.2165 5.7545 5.7545 5.7553 5.7553 5.8344 5.8344 6.1393 6.1393 6.1399 6.1399 6.4105 6.4105 6.9446 6.9446 6.9476 6.9476 7.7184 7.7184 12.8594 12.8594 12.8595 12.8595 13.0714 13.0714 13.5597 13.5597 k = 0.2308 0.1472 0.1084 ( 9307 PWs) bands (ev): -90.8535 -90.8535 -7.1720 -7.1720 -3.9675 -3.9675 -3.7032 -3.7032 -2.4240 -2.4240 -2.4239 -2.4239 -2.3900 -2.3900 -0.0464 -0.0464 -0.0460 -0.0460 1.1674 1.1674 1.1676 1.1676 1.1930 1.1930 3.6712 3.6712 3.6725 3.6725 3.8111 3.8111 4.1388 4.1388 5.7090 5.7090 5.7097 5.7097 5.8504 5.8504 6.2420 6.2420 6.2426 6.2426 6.3935 6.3935 6.9589 6.9589 6.9620 6.9620 7.6843 7.6843 12.9244 12.9244 12.9244 12.9244 13.1580 13.1580 13.6710 13.6710 k = 0.2179 0.1390 0.1024 ( 9310 PWs) bands (ev): -90.8535 -90.8535 -7.1930 -7.1930 -3.9415 -3.9415 -3.6967 -3.6967 -2.4149 -2.4149 -2.4148 -2.4148 -2.3450 -2.3450 -0.0138 -0.0138 -0.0134 -0.0134 1.1203 1.1203 1.1205 1.1205 1.1700 1.1700 3.6079 3.6079 3.6092 3.6092 3.7721 3.7721 4.0719 4.0719 5.6648 5.6648 5.6656 5.6656 5.8685 5.8685 6.3443 6.3443 6.3449 6.3449 6.3768 6.3768 6.9733 6.9733 6.9765 6.9765 7.6504 7.6504 12.9857 12.9857 12.9857 12.9857 13.2472 13.2472 13.7862 13.7862 k = 0.2051 0.1308 0.0963 ( 9298 PWs) bands (ev): -90.8535 -90.8535 -7.2132 -7.2132 -3.9168 -3.9168 -3.6905 -3.6905 -2.4057 -2.4057 -2.4056 -2.4056 -2.2988 -2.2988 0.0169 0.0169 0.0173 0.0173 1.0785 1.0785 1.0787 1.0787 1.1482 1.1482 3.5430 3.5430 3.5442 3.5442 3.7184 3.7184 4.0189 4.0189 5.6227 5.6227 5.6235 5.6235 5.8885 5.8885 6.3606 6.3606 6.4449 6.4449 6.4455 6.4455 6.9876 6.9876 6.9908 6.9908 7.6166 7.6166 13.0431 13.0431 13.0431 13.0431 13.3386 13.3386 13.9053 13.9053 k = 0.1923 0.1226 0.0903 ( 9292 PWs) bands (ev): -90.8535 -90.8535 -7.2326 -7.2326 -3.8935 -3.8935 -3.6847 -3.6847 -2.3964 -2.3964 -2.3963 -2.3963 -2.2518 -2.2518 0.0451 0.0451 0.0455 0.0455 1.0426 1.0426 1.0429 1.0429 1.1278 1.1278 3.4769 3.4769 3.4780 3.4780 3.6515 3.6515 3.9791 3.9791 5.5831 5.5831 5.5839 5.5839 5.9101 5.9101 6.3449 6.3449 6.5430 6.5430 6.5437 6.5437 7.0018 7.0018 7.0051 7.0051 7.5832 7.5832 13.0968 13.0968 13.0968 13.0968 13.4320 13.4320 14.0279 14.0279 k = 0.1795 0.1145 0.0843 ( 9298 PWs) bands (ev): -90.8535 -90.8535 -7.2510 -7.2510 -3.8716 -3.8716 -3.6793 -3.6793 -2.3871 -2.3871 -2.3871 -2.3871 -2.2044 -2.2044 0.0701 0.0701 0.0705 0.0705 1.0133 1.0133 1.0136 1.0136 1.1087 1.1087 3.4100 3.4100 3.4110 3.4110 3.5756 3.5756 3.9492 3.9492 5.5461 5.5461 5.5470 5.5470 5.9333 5.9333 6.3299 6.3299 6.6380 6.6380 6.6387 6.6387 7.0159 7.0159 7.0192 7.0192 7.5502 7.5502 13.1469 13.1469 13.1469 13.1469 13.5270 13.5270 14.1540 14.1540 k = 0.1667 0.1063 0.0783 ( 9298 PWs) bands (ev): -90.8535 -90.8535 -7.2684 -7.2684 -3.8509 -3.8509 -3.6745 -3.6745 -2.3780 -2.3780 -2.3779 -2.3779 -2.1571 -2.1571 0.0913 0.0913 0.0916 0.0916 0.9910 0.9910 0.9913 0.9913 1.0912 1.0912 3.3429 3.3429 3.3438 3.3438 3.4949 3.4949 3.9257 3.9257 5.5118 5.5118 5.5127 5.5127 5.9575 5.9575 6.3156 6.3156 6.7291 6.7291 6.7298 6.7298 7.0299 7.0299 7.0333 7.0333 7.5178 7.5178 13.1934 13.1934 13.1935 13.1935 13.6232 13.6232 14.2834 14.2834 k = 0.1538 0.0981 0.0723 ( 9286 PWs) bands (ev): -90.8535 -90.8535 -7.2847 -7.2847 -3.8316 -3.8316 -3.6702 -3.6702 -2.3690 -2.3690 -2.3689 -2.3689 -2.1103 -2.1103 0.1081 0.1081 0.1084 0.1084 0.9761 0.9761 0.9764 0.9764 1.0753 1.0753 3.2760 3.2760 3.2769 3.2769 3.4127 3.4127 3.9062 3.9062 5.4803 5.4803 5.4812 5.4812 5.9825 5.9825 6.3020 6.3020 6.8152 6.8152 6.8160 6.8160 7.0443 7.0443 7.0478 7.0478 7.4861 7.4861 13.2368 13.2368 13.2368 13.2368 13.7203 13.7203 14.4160 14.4160 k = 0.1410 0.0899 0.0662 ( 9286 PWs) bands (ev): -90.8535 -90.8535 -7.2999 -7.2999 -3.8135 -3.8135 -3.6667 -3.6667 -2.3602 -2.3602 -2.3602 -2.3602 -2.0645 -2.0645 0.1203 0.1203 0.1206 0.1206 0.9685 0.9685 0.9689 0.9689 1.0610 1.0610 3.2100 3.2100 3.2109 3.2109 3.3315 3.3315 3.8893 3.8893 5.4515 5.4515 5.4524 5.4524 6.0080 6.0080 6.2893 6.2893 6.8950 6.8950 6.8958 6.8958 7.0600 7.0600 7.0635 7.0635 7.4552 7.4552 13.2770 13.2770 13.2771 13.2771 13.8176 13.8176 14.5514 14.5514 k = 0.1282 0.0818 0.0602 ( 9280 PWs) bands (ev): -90.8535 -90.8535 -7.3140 -7.3140 -3.7966 -3.7966 -3.6638 -3.6638 -2.3519 -2.3519 -2.3518 -2.3518 -2.0202 -2.0202 0.1280 0.1280 0.1283 0.1283 0.9679 0.9679 0.9683 0.9683 1.0484 1.0484 3.1456 3.1456 3.1464 3.1464 3.2526 3.2526 3.8742 3.8742 5.4254 5.4254 5.4264 5.4264 6.0334 6.0334 6.2775 6.2775 6.9650 6.9650 6.9657 6.9657 7.0797 7.0797 7.0831 7.0831 7.4255 7.4255 13.3143 13.3143 13.3144 13.3144 13.9145 13.9145 14.6896 14.6896 k = 0.1154 0.0736 0.0542 ( 9286 PWs) bands (ev): -90.8535 -90.8535 -7.3268 -7.3268 -3.7808 -3.7808 -3.6617 -3.6617 -2.3439 -2.3439 -2.3438 -2.3438 -1.9779 -1.9779 0.1317 0.1317 0.1319 0.1319 0.9734 0.9734 0.9739 0.9739 1.0374 1.0374 3.0834 3.0834 3.0842 3.0842 3.1775 3.1775 3.8607 3.8607 5.4020 5.4020 5.4030 5.4030 6.0586 6.0586 6.2667 6.2667 7.0184 7.0184 7.0185 7.0185 7.1103 7.1103 7.1129 7.1129 7.3970 7.3970 13.3487 13.3487 13.3488 13.3488 14.0105 14.0105 14.8303 14.8303 k = 0.1026 0.0654 0.0482 ( 9277 PWs) bands (ev): -90.8535 -90.8535 -7.3384 -7.3384 -3.7662 -3.7662 -3.6604 -3.6604 -2.3365 -2.3365 -2.3364 -2.3364 -1.9383 -1.9383 0.1319 0.1319 0.1322 0.1322 0.9841 0.9841 0.9846 0.9846 1.0280 1.0280 3.0242 3.0242 3.0250 3.0250 3.1073 3.1073 3.8486 3.8486 5.3812 5.3812 5.3822 5.3822 6.0829 6.0829 6.2569 6.2569 7.0489 7.0489 7.0502 7.0502 7.1561 7.1561 7.1575 7.1575 7.3702 7.3702 13.3804 13.3804 13.3806 13.3806 14.1044 14.1044 14.9730 14.9730 k = 0.0897 0.0572 0.0421 ( 9283 PWs) bands (ev): -90.8535 -90.8535 -7.3487 -7.3487 -3.7527 -3.7527 -3.6599 -3.6599 -2.3297 -2.3297 -2.3296 -2.3296 -1.9018 -1.9018 0.1296 0.1296 0.1298 0.1298 0.9985 0.9985 0.9991 0.9991 1.0202 1.0202 2.9689 2.9689 2.9695 2.9695 3.0427 3.0427 3.8377 3.8377 5.3630 5.3630 5.3640 5.3640 6.1059 6.1059 6.2481 6.2481 7.0660 7.0660 7.0680 7.0680 7.2079 7.2079 7.2085 7.2085 7.3453 7.3453 13.4093 13.4093 13.4095 13.4095 14.1954 14.1954 15.1174 15.1174 k = 0.0769 0.0491 0.0361 ( 9287 PWs) bands (ev): -90.8535 -90.8535 -7.3576 -7.3576 -3.7402 -3.7402 -3.6602 -3.6602 -2.3236 -2.3236 -2.3235 -2.3235 -1.8689 -1.8689 0.1256 0.1256 0.1258 0.1258 1.0138 1.0138 1.0151 1.0151 1.0157 1.0157 2.9182 2.9182 2.9188 2.9188 2.9848 2.9848 3.8282 3.8282 5.3474 5.3474 5.3484 5.3484 6.1272 6.1272 6.2405 6.2405 7.0773 7.0773 7.0796 7.0796 7.2574 7.2574 7.2577 7.2577 7.3226 7.3226 13.4353 13.4353 13.4355 13.4355 14.2819 14.2819 15.1594 15.1595 k = 0.0641 0.0409 0.0301 ( 9308 PWs) bands (ev): -90.8535 -90.8535 -7.3653 -7.3653 -3.7288 -3.7288 -3.6613 -3.6613 -2.3183 -2.3183 -2.3182 -2.3182 -1.8401 -1.8401 0.1207 0.1207 0.1209 0.1209 1.0087 1.0087 1.0325 1.0325 1.0331 1.0331 2.8730 2.8730 2.8737 2.8737 2.9342 2.9342 3.8200 3.8200 5.3342 5.3342 5.3352 5.3352 6.1463 6.1463 6.2339 6.2339 7.0855 7.0855 7.0881 7.0881 7.3014 7.3014 7.3016 7.3016 7.3026 7.3026 13.4581 13.4581 13.4583 13.4583 14.3623 14.3623 15.1131 15.1138 k = 0.0513 0.0327 0.0241 ( 9308 PWs) bands (ev): -90.8535 -90.8535 -7.3716 -7.3716 -3.7185 -3.7185 -3.6633 -3.6633 -2.3138 -2.3138 -2.3137 -2.3137 -1.8159 -1.8159 0.1157 0.1157 0.1159 0.1159 1.0048 1.0048 1.0490 1.0490 1.0497 1.0497 2.8345 2.8345 2.8350 2.8350 2.8917 2.8917 3.8132 3.8132 5.3234 5.3234 5.3245 5.3245 6.1627 6.1627 6.2285 6.2285 7.0918 7.0918 7.0945 7.0945 7.2854 7.2854 7.3386 7.3386 7.3387 7.3387 13.4775 13.4775 13.4777 13.4777 14.4345 14.4345 15.0731 15.0733 k = 0.0385 0.0245 0.0181 ( 9305 PWs) bands (ev): -90.8535 -90.8535 -7.3765 -7.3765 -3.7093 -3.7093 -3.6659 -3.6659 -2.3103 -2.3103 -2.3102 -2.3102 -1.7967 -1.7967 0.1112 0.1112 0.1114 0.1114 1.0020 1.0020 1.0635 1.0635 1.0642 1.0642 2.8033 2.8033 2.8039 2.8039 2.8580 2.8580 3.8079 3.8079 5.3151 5.3151 5.3162 5.3162 6.1760 6.1760 6.2243 6.2243 7.0966 7.0966 7.0993 7.0993 7.2717 7.2717 7.3681 7.3681 7.3682 7.3682 13.4932 13.4932 13.4933 13.4933 14.4957 14.4957 15.0403 15.0407 k = 0.0256 0.0164 0.0120 ( 9293 PWs) bands (ev): -90.8535 -90.8535 -7.3800 -7.3800 -3.7015 -3.7015 -3.6690 -3.6690 -2.3077 -2.3077 -2.3077 -2.3077 -1.7827 -1.7827 0.1076 0.1076 0.1078 0.1078 1.0001 1.0001 1.0748 1.0748 1.0755 1.0755 2.7804 2.7804 2.7809 2.7809 2.8335 2.8335 3.8040 3.8040 5.3092 5.3092 5.3103 5.3103 6.1858 6.1858 6.2213 6.2213 7.0998 7.0998 7.1027 7.1027 7.2616 7.2616 7.3894 7.3894 7.3896 7.3896 13.5046 13.5046 13.5048 13.5048 14.5429 14.5429 15.0162 15.0177 k = 0.0128 0.0082 0.0060 ( 9293 PWs) bands (ev): -90.8535 -90.8535 -7.3821 -7.3821 -3.6957 -3.6957 -3.6720 -3.6720 -2.3062 -2.3062 -2.3061 -2.3061 -1.7742 -1.7742 0.1054 0.1054 0.1055 0.1055 0.9990 0.9990 1.0819 1.0819 1.0826 1.0826 2.7663 2.7663 2.7669 2.7669 2.8186 2.8186 3.8017 3.8017 5.3057 5.3057 5.3068 5.3068 6.1918 6.1918 6.2195 6.2195 7.1018 7.1018 7.1046 7.1046 7.2555 7.2555 7.4023 7.4023 7.4025 7.4025 13.5117 13.5117 13.5118 13.5118 14.5729 14.5729 15.0013 15.0018 k = 0.0000 0.0000 0.0000 ( 9305 PWs) bands (ev): -90.8535 -90.8535 -7.3828 -7.3828 -3.6934 -3.6934 -3.6735 -3.6735 -2.3057 -2.3057 -2.3056 -2.3056 -1.7713 -1.7713 0.1046 0.1046 0.1048 0.1048 0.9986 0.9986 1.0844 1.0844 1.0851 1.0851 2.7616 2.7616 2.7621 2.7621 2.8137 2.8137 3.8009 3.8009 5.3045 5.3045 5.3056 5.3056 6.1939 6.1939 6.2189 6.2189 7.1024 7.1024 7.1053 7.1053 7.2534 7.2534 7.4066 7.4066 7.4068 7.4068 13.5140 13.5140 13.5142 13.5142 14.5832 14.5832 14.9963 14.9965 k = 0.0000 0.0000 0.0000 ( 9305 PWs) bands (ev): -90.8535 -90.8535 -7.3828 -7.3828 -3.6934 -3.6934 -3.6735 -3.6735 -2.3057 -2.3057 -2.3056 -2.3056 -1.7713 -1.7713 0.1046 0.1046 0.1048 0.1048 0.9986 0.9986 1.0844 1.0844 1.0851 1.0851 2.7616 2.7616 2.7621 2.7621 2.8137 2.8137 3.8009 3.8009 5.3045 5.3045 5.3056 5.3056 6.1939 6.1939 6.2189 6.2189 7.1024 7.1024 7.1053 7.1053 7.2534 7.2534 7.4066 7.4066 7.4068 7.4068 13.5140 13.5140 13.5142 13.5142 14.5832 14.5832 14.9964 14.9987 k = 0.0088-0.0041-0.0131 ( 9289 PWs) bands (ev): -90.8535 -90.8535 -7.3819 -7.3819 -3.6942 -3.6942 -3.6783 -3.6783 -2.3067 -2.3067 -2.3014 -2.3014 -1.7730 -1.7730 0.1073 0.1073 0.1075 0.1075 0.9993 0.9993 1.0832 1.0832 1.0854 1.0854 2.7571 2.7571 2.7647 2.7647 2.8169 2.8169 3.8095 3.8095 5.2915 5.2915 5.3044 5.3044 6.2049 6.2049 6.2120 6.2120 7.0992 7.0992 7.1068 7.1068 7.2417 7.2417 7.4061 7.4061 7.4166 7.4166 13.5133 13.5133 13.5172 13.5172 14.5775 14.5775 14.9962 14.9962 k = 0.0175-0.0082-0.0262 ( 9267 PWs) bands (ev): -90.8535 -90.8535 -7.3792 -7.3792 -3.6965 -3.6965 -3.6925 -3.6925 -2.3100 -2.3100 -2.2889 -2.2889 -1.7778 -1.7778 0.1152 0.1152 0.1159 0.1159 1.0010 1.0010 1.0791 1.0791 1.0871 1.0871 2.7434 2.7434 2.7727 2.7727 2.8271 2.8271 3.8348 3.8348 5.2530 5.2530 5.3024 5.3024 6.1918 6.1918 6.2365 6.2365 7.0860 7.0860 7.1142 7.1142 7.2131 7.2131 7.4043 7.4043 7.4399 7.4399 13.5108 13.5108 13.5264 13.5264 14.5603 14.5603 14.9934 14.9934 k = 0.0263-0.0122-0.0394 ( 9265 PWs) bands (ev): -90.8535 -90.8535 -7.3747 -7.3747 -3.7156 -3.7156 -3.7005 -3.7005 -2.3153 -2.3153 -2.2688 -2.2688 -1.7858 -1.7858 0.1280 0.1280 0.1299 0.1299 1.0033 1.0033 1.0728 1.0728 1.0904 1.0904 2.7225 2.7225 2.7845 2.7845 2.8453 2.8453 3.8750 3.8750 5.1938 5.1938 5.2992 5.2992 6.1596 6.1596 6.2839 6.2839 7.0632 7.0632 7.1252 7.1252 7.1766 7.1766 7.4015 7.4015 7.4681 7.4681 13.5067 13.5067 13.5415 13.5415 14.5318 14.5318 14.9883 14.9883 k = 0.0351-0.0163-0.0525 ( 9267 PWs) bands (ev): -90.8535 -90.8535 -7.3685 -7.3685 -3.7466 -3.7466 -3.7062 -3.7062 -2.3222 -2.3222 -2.2419 -2.2419 -1.7969 -1.7969 0.1453 0.1453 0.1493 0.1493 1.0051 1.0051 1.0654 1.0654 1.0957 1.0957 2.6962 2.6962 2.7988 2.7988 2.8726 2.8726 3.9280 3.9280 5.1189 5.1189 5.2948 5.2948 6.1170 6.1170 6.3424 6.3424 7.0307 7.0307 7.1370 7.1370 7.1382 7.1382 7.3979 7.3979 7.4969 7.4969 13.5012 13.5012 13.5619 13.5619 14.4918 14.4918 14.9811 14.9811 k = 0.0438-0.0204-0.0656 ( 9271 PWs) bands (ev): -90.8535 -90.8535 -7.3604 -7.3604 -3.7845 -3.7845 -3.7136 -3.7136 -2.3306 -2.3306 -2.2094 -2.2094 -1.8110 -1.8110 0.1666 0.1666 0.1740 0.1740 1.0039 1.0039 1.0598 1.0598 1.1034 1.1034 2.6669 2.6669 2.8152 2.8152 2.9089 2.9089 3.9915 3.9915 5.0324 5.0324 5.2892 5.2892 6.0661 6.0661 6.4078 6.4078 6.9886 6.9886 7.0964 7.0964 7.1509 7.1509 7.3938 7.3938 7.5243 7.5243 13.4945 13.4945 13.5871 13.5871 14.4405 14.4405 14.9717 14.9717 k = 0.0526-0.0245-0.0787 ( 9267 PWs) bands (ev): -90.8535 -90.8535 -7.3507 -7.3507 -3.8281 -3.8281 -3.7229 -3.7229 -2.3399 -2.3399 -2.1722 -2.1722 -1.8278 -1.8278 0.1913 0.1913 0.2035 0.2035 0.9963 0.9963 1.0595 1.0595 1.1141 1.1141 2.6364 2.6364 2.8337 2.8337 2.9535 2.9535 4.0633 4.0633 4.9374 4.9374 5.2825 5.2825 6.0086 6.0086 6.4772 6.4772 6.9380 6.9380 7.0547 7.0547 7.1618 7.1618 7.3896 7.3896 7.5493 7.5493 13.4866 13.4866 13.6160 13.6160 14.3785 14.3785 14.9602 14.9602 k = 0.0613-0.0285-0.0919 ( 9265 PWs) bands (ev): -90.8535 -90.8535 -7.3391 -7.3391 -3.8765 -3.8765 -3.7342 -3.7342 -2.3497 -2.3497 -2.1315 -2.1315 -1.8474 -1.8474 0.2185 0.2185 0.2375 0.2375 0.9817 0.9817 1.0654 1.0654 1.1285 1.1285 2.6061 2.6061 2.8546 2.8546 3.0057 3.0057 4.1414 4.1414 4.8363 4.8363 5.2748 5.2748 5.9461 5.9461 6.5484 6.5484 6.8802 6.8802 7.0115 7.0115 7.1690 7.1690 7.3857 7.3857 7.5715 7.5715 13.4778 13.4778 13.6477 13.6477 14.3062 14.3062 14.9467 14.9467 k = 0.0701-0.0326-0.1050 ( 9275 PWs) bands (ev): -90.8535 -90.8535 -7.3259 -7.3259 -3.9286 -3.9286 -3.7474 -3.7474 -2.3595 -2.3595 -2.0882 -2.0882 -1.8695 -1.8695 0.2477 0.2477 0.2753 0.2753 0.9625 0.9625 1.0761 1.0761 1.1472 1.1472 2.5773 2.5773 2.8783 2.8783 3.0645 3.0645 4.2238 4.2238 4.7313 4.7313 5.2663 5.2663 5.8800 5.8800 6.6198 6.6198 6.8163 6.8163 6.9664 6.9664 7.1717 7.1717 7.3826 7.3826 7.5906 7.5906 13.4681 13.4681 13.6806 13.6806 14.2247 14.2247 14.9317 14.9317 k = 0.0789-0.0367-0.1181 ( 9277 PWs) bands (ev): -90.8535 -90.8535 -7.3109 -7.3109 -3.9836 -3.9836 -3.7629 -3.7629 -2.3689 -2.3689 -2.0431 -2.0431 -1.8939 -1.8939 0.2781 0.2781 0.3158 0.3158 0.9412 0.9412 1.0900 1.0900 1.1706 1.1706 2.5506 2.5506 2.9049 2.9049 3.1292 3.1292 4.3070 4.3070 4.6256 4.6256 5.2570 5.2570 5.8114 5.8114 6.6898 6.6898 6.7470 6.7470 6.9192 6.9192 7.1693 7.1693 7.3804 7.3804 7.6061 7.6061 13.4576 13.4576 13.7131 13.7131 14.1357 14.1357 14.9158 14.9158 k = 0.0876-0.0408-0.1312 ( 9263 PWs) bands (ev): -90.8535 -90.8535 -7.2943 -7.2943 -4.0408 -4.0408 -3.7806 -3.7806 -2.3772 -2.3772 -1.9969 -1.9969 -1.9206 -1.9206 0.3093 0.3093 0.3575 0.3575 0.9201 0.9201 1.1065 1.1065 1.1992 1.1992 2.5266 2.5266 2.9345 2.9345 3.1990 3.1990 4.3775 4.3775 4.5328 4.5328 5.2472 5.2472 5.7415 5.7415 6.6728 6.6728 6.7570 6.7570 6.8701 6.8701 7.1624 7.1624 7.3788 7.3788 7.6180 7.6180 13.4461 13.4461 13.7423 13.7423 14.0416 14.0416 14.8202 14.8202 k = 0.0964-0.0448-0.1444 ( 9259 PWs) bands (ev): -90.8535 -90.8535 -7.2760 -7.2760 -4.0995 -4.0995 -3.8005 -3.8005 -2.3842 -2.3842 -1.9502 -1.9502 -1.9492 -1.9492 0.3407 0.3407 0.3978 0.3978 0.9022 0.9022 1.1251 1.1251 1.2332 1.2332 2.5053 2.5053 2.9673 2.9673 3.2731 3.2731 4.3546 4.3546 4.5332 4.5332 5.2371 5.2371 5.6709 5.6709 6.5939 6.5939 6.8191 6.8191 6.8195 6.8195 7.1527 7.1527 7.3776 7.3776 7.6261 7.6261 13.4336 13.4336 13.7620 13.7620 13.9483 13.9483 14.7217 14.7217 k = 0.1052-0.0489-0.1575 ( 9255 PWs) bands (ev): -90.8535 -90.8535 -7.2561 -7.2561 -4.1592 -4.1592 -3.8228 -3.8228 -2.3895 -2.3895 -1.9798 -1.9798 -1.9035 -1.9035 0.3721 0.3721 0.4328 0.4328 0.8916 0.8916 1.1459 1.1459 1.2725 1.2725 2.4867 2.4867 3.0032 3.0032 3.3509 3.3509 4.2537 4.2537 4.6116 4.6116 5.2268 5.2268 5.6007 5.6007 6.5106 6.5106 6.7675 6.7675 6.8727 6.8727 7.1437 7.1437 7.3763 7.3763 7.6304 7.6304 13.4198 13.4198 13.7491 13.7491 13.8788 13.8788 14.6211 14.6211 k = 0.1139-0.0530-0.1706 ( 9247 PWs) bands (ev): -90.8535 -90.8535 -7.2346 -7.2346 -4.2194 -4.2194 -3.8473 -3.8473 -2.3926 -2.3926 -2.0120 -2.0120 -1.8572 -1.8572 0.4034 0.4034 0.4577 0.4577 0.8935 0.8935 1.1686 1.1686 1.3170 1.3170 2.4705 2.4705 3.0424 3.0424 3.4317 3.4317 4.1417 4.1417 4.7007 4.7007 5.2167 5.2167 5.5318 5.5318 6.4231 6.4231 6.7146 6.7146 6.9110 6.9110 7.1419 7.1419 7.3747 7.3747 7.6307 7.6307 13.4043 13.4043 13.6737 13.6737 13.8627 13.8627 14.5191 14.5191 k = 0.1227-0.0571-0.1837 ( 9245 PWs) bands (ev): -90.8535 -90.8535 -7.2116 -7.2116 -4.2797 -4.2797 -3.8741 -3.8741 -2.3935 -2.3935 -2.0457 -2.0457 -1.8117 -1.8117 0.4346 0.4346 0.4679 0.4679 0.9125 0.9125 1.1932 1.1932 1.3664 1.3664 2.4561 2.4561 3.0849 3.0849 3.5147 3.5147 4.0283 4.0283 4.7903 4.7903 5.2070 5.2070 5.4652 5.4652 6.3316 6.3316 6.6611 6.6611 6.9261 6.9261 7.1549 7.1549 7.3730 7.3730 7.6270 7.6270 13.3868 13.3868 13.5691 13.5691 13.8669 13.8669 14.4165 14.4165 k = 0.1315-0.0612-0.1969 ( 9261 PWs) bands (ev): -90.8535 -90.8535 -7.1871 -7.1871 -4.3398 -4.3398 -3.9031 -3.9031 -2.3919 -2.3919 -2.0805 -2.0805 -1.7674 -1.7674 0.4623 0.4623 0.4658 0.4658 0.9501 0.9501 1.2196 1.2196 1.4201 1.4201 2.4427 2.4427 3.1307 3.1307 3.5993 3.5993 3.9162 3.9162 4.8766 4.8766 5.1981 5.1981 5.4029 5.4029 6.2366 6.2366 6.6072 6.6072 6.9169 6.9169 7.1829 7.1829 7.3722 7.3722 7.6194 7.6194 13.3665 13.3665 13.4565 13.4565 13.8702 13.8702 14.3141 14.3141 k = 0.1402-0.0652-0.2100 ( 9261 PWs) bands (ev): -90.8535 -90.8535 -7.1612 -7.1612 -4.3993 -4.3993 -3.9340 -3.9340 -2.3879 -2.3879 -2.1162 -2.1162 -1.7245 -1.7245 0.4431 0.4431 0.4972 0.4972 1.0038 1.0038 1.2479 1.2479 1.4777 1.4777 2.4293 2.4293 3.1799 3.1799 3.6845 3.6845 3.8075 3.8075 4.9547 4.9547 5.1905 5.1905 5.3488 5.3488 6.1382 6.1382 6.5531 6.5531 6.8904 6.8904 7.2173 7.2173 7.3743 7.3743 7.6080 7.6080 13.3412 13.3412 13.3430 13.3430 13.8681 13.8681 14.2126 14.2126 k = 0.1490-0.0693-0.2231 ( 9263 PWs) bands (ev): -90.8535 -90.8535 -7.1340 -7.1340 -4.4580 -4.4580 -3.9669 -3.9669 -2.3817 -2.3817 -2.1523 -2.1523 -1.6833 -1.6833 0.4145 0.4145 0.5292 0.5292 1.0697 1.0697 1.2782 1.2782 1.5384 1.5384 2.4146 2.4146 3.2325 3.2325 3.7039 3.7039 3.7696 3.7696 5.0149 5.0149 5.1845 5.1845 5.3118 5.3118 6.0369 6.0369 6.4990 6.4990 6.8530 6.8530 7.2475 7.2475 7.3836 7.3836 7.5928 7.5928 13.2254 13.2254 13.3154 13.3154 13.8594 13.8594 14.1130 14.1130 k = 0.1577-0.0734-0.2362 ( 9259 PWs) bands (ev): -90.8535 -90.8535 -7.1054 -7.1054 -4.5155 -4.5155 -4.0014 -4.0014 -2.3739 -2.3739 -2.1881 -2.1881 -1.6442 -1.6442 0.3800 0.3800 0.5618 0.5618 1.1439 1.1439 1.3106 1.3106 1.6017 1.6017 2.3971 2.3971 3.2885 3.2885 3.6075 3.6075 3.8536 3.8536 5.0403 5.0403 5.1807 5.1807 5.3080 5.3080 5.9332 5.9332 6.4451 6.4451 6.8089 6.8089 7.2657 7.2657 7.4045 7.4045 7.5740 7.5740 13.1102 13.1102 13.2829 13.2829 13.8440 13.8440 14.0161 14.0161 k = 0.1665-0.0775-0.2494 ( 9261 PWs) bands (ev): -90.8535 -90.8535 -7.0756 -7.0756 -4.5717 -4.5717 -4.0374 -4.0374 -2.3659 -2.3659 -2.2217 -2.2217 -1.6075 -1.6075 0.3422 0.3422 0.5955 0.5955 1.2230 1.2230 1.3460 1.3460 1.6670 1.6670 2.3750 2.3750 3.3478 3.3478 3.5206 3.5206 3.9355 3.9355 5.0249 5.0249 5.1796 5.1796 5.3422 5.3422 5.8276 5.8276 6.3915 6.3915 6.7603 6.7603 7.2712 7.2712 7.4361 7.4361 7.5519 7.5519 12.9966 12.9966 13.2447 13.2447 13.8224 13.8224 13.9228 13.9228 k = 0.1753-0.0815-0.2625 ( 9265 PWs) bands (ev): -90.8535 -90.8535 -7.0448 -7.0448 -4.6262 -4.6262 -4.0747 -4.0747 -2.3618 -2.3618 -2.2493 -2.2493 -1.5735 -1.5735 0.3029 0.3029 0.6304 0.6304 1.3020 1.3020 1.3869 1.3869 1.7335 1.7335 2.3466 2.3466 3.4104 3.4104 3.4457 3.4457 4.0141 4.0141 4.9861 4.9861 5.1816 5.1816 5.3960 5.3960 5.7206 5.7206 6.3383 6.3383 6.7089 6.7089 7.2687 7.2687 7.4732 7.4732 7.5267 7.5267 12.8855 12.8855 13.1999 13.1999 13.7953 13.7953 13.8342 13.8342 k = 0.1840-0.0856-0.2756 ( 9269 PWs) bands (ev): -90.8535 -90.8535 -7.0130 -7.0130 -4.6789 -4.6789 -4.1130 -4.1130 -2.3694 -2.3694 -2.2627 -2.2627 -1.5426 -1.5426 0.2636 0.2636 0.6666 0.6666 1.3709 1.3709 1.4418 1.4418 1.8008 1.8008 2.3106 2.3106 3.3849 3.3849 3.4761 3.4761 4.0883 4.0883 4.9385 4.9385 5.1869 5.1869 5.4534 5.4534 5.6136 5.6136 6.2856 6.2856 6.6559 6.6559 7.2623 7.2623 7.4989 7.4989 7.5115 7.5115 12.7775 12.7775 13.1478 13.1478 13.7510 13.7510 13.7633 13.7633 k = 0.1928-0.0897-0.2887 ( 9267 PWs) bands (ev): -90.8535 -90.8535 -6.9802 -6.9802 -4.7296 -4.7296 -4.1522 -4.1522 -2.3926 -2.3926 -2.2580 -2.2580 -1.5153 -1.5153 0.2253 0.2253 0.7044 0.7044 1.4214 1.4214 1.5166 1.5166 1.8683 1.8683 2.2668 2.2668 3.3398 3.3398 3.5449 3.5449 4.1568 4.1568 4.8883 4.8883 5.1943 5.1943 5.5064 5.5064 5.5088 5.5088 6.2333 6.2333 6.6030 6.6030 7.2544 7.2544 7.4689 7.4689 7.5484 7.5484 12.6734 12.6734 13.0880 13.0880 13.6739 13.6739 13.7273 13.7273 k = 0.2016-0.0938-0.3019 ( 9271 PWs) bands (ev): -90.8535 -90.8535 -6.9468 -6.9468 -4.7780 -4.7780 -4.1921 -4.1921 -2.4256 -2.4256 -2.2410 -2.2410 -1.4921 -1.4921 0.1890 0.1890 0.7439 0.7439 1.4619 1.4619 1.6005 1.6005 1.9355 1.9355 2.2167 2.2167 3.3109 3.3109 3.6163 3.6163 4.2186 4.2186 4.8384 4.8384 5.1981 5.1981 5.4128 5.4128 5.5504 5.5504 6.1817 6.1817 6.5516 6.5516 7.2466 7.2466 7.4373 7.4373 7.5830 7.5830 12.5740 12.5740 13.0206 13.0206 13.6033 13.6033 13.6880 13.6880 k = 0.2103-0.0979-0.3150 ( 9267 PWs) bands (ev): -90.8535 -90.8535 -6.9129 -6.9129 -4.8239 -4.8239 -4.2324 -4.2324 -2.4627 -2.4627 -2.2172 -2.2172 -1.4734 -1.4734 0.1555 0.1555 0.7852 0.7852 1.4979 1.4979 1.6837 1.6837 2.0019 2.0019 2.1647 2.1647 3.2978 3.2978 3.6903 3.6903 4.2729 4.2729 4.7899 4.7899 5.1767 5.1767 5.3481 5.3481 5.5820 5.5820 6.1307 6.1307 6.5033 6.5033 7.2398 7.2398 7.4048 7.4048 7.6143 7.6143 12.4799 12.4799 12.9462 12.9462 13.5389 13.5389 13.6461 13.6461 k = 0.2191-0.1019-0.3281 ( 9285 PWs) bands (ev): -90.8535 -90.8535 -6.8785 -6.8785 -4.8669 -4.8669 -4.2729 -4.2729 -2.5016 -2.5016 -2.1891 -2.1891 -1.4598 -1.4598 0.1253 0.1253 0.8283 0.8283 1.5290 1.5290 1.7584 1.7584 2.0671 2.0671 2.1196 2.1196 3.2993 3.2993 3.7662 3.7662 4.3194 4.3194 4.7438 4.7438 5.1059 5.1059 5.3392 5.3392 5.5986 5.5986 6.0802 6.0802 6.4595 6.4595 7.2348 7.2348 7.3721 7.3721 7.6420 7.6420 12.3918 12.3918 12.8657 12.8657 13.4804 13.4804 13.6023 13.6023 k = 0.2279-0.1060-0.3412 ( 9279 PWs) bands (ev): -90.8535 -90.8535 -6.8440 -6.8440 -4.9070 -4.9070 -4.3134 -4.3134 -2.5412 -2.5412 -2.1576 -2.1576 -1.4518 -1.4518 0.0989 0.0989 0.8733 0.8733 1.5518 1.5518 1.8127 1.8127 2.0983 2.0983 2.1307 2.1307 3.3140 3.3140 3.8436 3.8436 4.3582 4.3582 4.7004 4.7004 5.0084 5.0084 5.3631 5.3631 5.5987 5.5987 6.0302 6.0302 6.4210 6.4210 7.2323 7.2323 7.3401 7.3401 7.6656 7.6656 12.3104 12.3104 12.7803 12.7803 13.4271 13.4271 13.5574 13.5574 k = 0.2366-0.1101-0.3543 ( 9293 PWs) bands (ev): -90.8535 -90.8535 -6.8096 -6.8096 -4.9438 -4.9438 -4.3539 -4.3539 -2.5810 -2.5810 -2.1233 -2.1233 -1.4499 -1.4499 0.0767 0.0767 0.9203 0.9203 1.5591 1.5591 1.8376 1.8376 2.1180 2.1180 2.1923 2.1923 3.3402 3.3402 3.9216 3.9216 4.3899 4.3899 4.6601 4.6601 4.9036 4.9036 5.3999 5.3999 5.5816 5.5816 5.9807 5.9807 6.3879 6.3879 7.2326 7.2326 7.3101 7.3101 7.6850 7.6850 12.2362 12.2362 12.6913 12.6913 13.3785 13.3785 13.5118 13.5118 k = 0.2454-0.1142-0.3675 ( 9293 PWs) bands (ev): -90.8535 -90.8535 -6.7755 -6.7755 -4.9770 -4.9770 -4.3941 -4.3941 -2.6207 -2.6207 -2.0865 -2.0865 -1.4543 -1.4543 0.0587 0.0587 0.9692 0.9692 1.5425 1.5425 1.8493 1.8493 2.1725 2.1725 2.2514 2.2514 3.3765 3.3765 3.9993 3.9993 4.4154 4.4154 4.6234 4.6234 4.7983 4.7983 5.4422 5.4422 5.5483 5.5483 5.9316 5.9316 6.3590 6.3590 7.2357 7.2357 7.2832 7.2832 7.7000 7.7000 12.1697 12.1697 12.5999 12.5999 13.3341 13.3341 13.4664 13.4664 k = 0.2541-0.1182-0.3806 ( 9295 PWs) bands (ev): -90.8535 -90.8535 -6.7420 -6.7420 -5.0062 -5.0062 -4.4339 -4.4339 -2.6599 -2.6599 -2.0474 -2.0474 -1.4655 -1.4655 0.0448 0.0448 1.0200 1.0200 1.5013 1.5013 1.8686 1.8686 2.2426 2.2426 2.3076 2.3076 3.4216 3.4216 4.0747 4.0747 4.4351 4.4351 4.5905 4.5905 4.6965 4.6965 5.4864 5.4864 5.5010 5.5010 5.8826 5.8826 6.3326 6.3326 7.2414 7.2414 7.2608 7.2608 7.7106 7.7106 12.1115 12.1115 12.5071 12.5071 13.2936 13.2936 13.4215 13.4215 k = 0.2629-0.1223-0.3937 ( 9295 PWs) bands (ev): -90.8535 -90.8535 -6.7094 -6.7094 -5.0313 -5.0313 -4.4731 -4.4731 -2.6987 -2.6987 -2.0063 -2.0063 -1.4834 -1.4834 0.0345 0.0345 1.0728 1.0728 1.4437 1.4437 1.8998 1.8998 2.3170 2.3170 2.3605 2.3605 3.4745 3.4745 4.1451 4.1451 4.4447 4.4447 4.5616 4.5616 4.6074 4.6074 5.4421 5.4421 5.5297 5.5297 5.8336 5.8336 6.3068 6.3068 7.2442 7.2442 7.2489 7.2489 7.7169 7.7169 12.0618 12.0618 12.4138 12.4138 13.2570 13.2570 13.3780 13.3780 k = 0.2717-0.1264-0.4068 ( 9303 PWs) bands (ev): -90.8535 -90.8535 -6.6780 -6.6780 -5.0519 -5.0519 -4.5117 -4.5117 -2.7368 -2.7368 -1.9633 -1.9633 -1.5081 -1.5081 0.0272 0.0272 1.1274 1.1274 1.3790 1.3790 1.9395 1.9395 2.3908 2.3908 2.4094 2.4094 3.5340 3.5340 4.2057 4.2057 4.4204 4.4204 4.5369 4.5369 4.5609 4.5609 5.3745 5.3745 5.5698 5.5698 5.7842 5.7842 6.2801 6.2801 7.2350 7.2350 7.2570 7.2570 7.7191 7.7191 12.0209 12.0209 12.3209 12.3209 13.2242 13.2242 13.3364 13.3364 k = 0.2804-0.1305-0.4200 ( 9299 PWs) bands (ev): -90.8535 -90.8535 -6.6481 -6.6481 -5.0676 -5.0676 -4.5495 -4.5495 -2.7741 -2.7741 -1.9185 -1.9185 -1.5394 -1.5394 0.0218 0.0218 1.1839 1.1839 1.3137 1.3137 1.9849 1.9849 2.4538 2.4538 2.4615 2.4615 3.5991 3.5991 4.2445 4.2445 4.3591 4.3591 4.5163 4.5163 4.5736 4.5736 5.3008 5.3008 5.6050 5.6050 5.7342 5.7342 6.2514 6.2514 7.2342 7.2342 7.2642 7.2642 7.7178 7.7178 11.9886 11.9886 12.2290 12.2290 13.1953 13.1953 13.2973 13.2973 k = 0.2892-0.1345-0.4331 ( 9303 PWs) bands (ev): -90.8535 -90.8535 -6.6202 -6.6202 -5.0781 -5.0781 -4.5864 -4.5864 -2.8105 -2.8105 -1.8720 -1.8720 -1.5771 -1.5771 0.0170 0.0170 1.2422 1.2422 1.2521 1.2521 2.0340 2.0340 2.4931 2.4931 2.5278 2.5278 3.6686 3.6686 4.2190 4.2190 4.3340 4.3340 4.4997 4.4997 4.6155 4.6155 5.2236 5.2236 5.6339 5.6339 5.6833 5.6833 6.2204 6.2204 7.2429 7.2429 7.2688 7.2688 7.7138 7.7138 11.9649 11.9649 12.1388 12.1388 13.1703 13.1703 13.2615 13.2615 k = 0.2980-0.1386-0.4462 ( 9307 PWs) bands (ev): -90.8535 -90.8535 -6.5943 -6.5943 -5.0832 -5.0832 -4.6223 -4.6223 -2.8459 -2.8459 -1.8242 -1.8242 -1.6207 -1.6207 0.0114 0.0114 1.1974 1.1974 1.3023 1.3023 2.0858 2.0858 2.5263 2.5263 2.5890 2.5890 3.7413 3.7413 4.1421 4.1421 4.3473 4.3473 4.4862 4.4862 4.6728 4.6728 5.1455 5.1455 5.6294 5.6294 5.6578 5.6578 6.1872 6.1872 7.2614 7.2614 7.2690 7.2690 7.7081 7.7081 11.9491 11.9491 12.0508 12.0508 13.1495 13.1495 13.2296 13.2296 k = 0.3067-0.1427-0.4593 ( 9317 PWs) bands (ev): -90.8535 -90.8535 -6.5709 -6.5709 -5.0826 -5.0826 -4.6572 -4.6572 -2.8803 -2.8803 -1.7749 -1.7749 -1.6699 -1.6699 0.0035 0.0035 1.1519 1.1519 1.3640 1.3640 2.1396 2.1396 2.5527 2.5527 2.6447 2.6447 3.8158 3.8158 4.0596 4.0596 4.3606 4.3606 4.4744 4.4744 4.7388 4.7388 5.0698 5.0698 5.5755 5.5755 5.6736 5.6736 6.1521 6.1521 7.2628 7.2628 7.2897 7.2897 7.7017 7.7017 11.9406 11.9406 11.9657 11.9657 13.1330 13.1330 13.2026 13.2026 k = 0.3155-0.1468-0.4725 ( 9319 PWs) bands (ev): -90.8535 -90.8535 -6.5501 -6.5501 -5.0761 -5.0761 -4.6909 -4.6909 -2.9135 -2.9135 -1.7247 -1.7247 -1.7242 -1.7242 -0.0081 -0.0081 1.1176 1.1176 1.4273 1.4273 2.1950 2.1950 2.5713 2.5713 2.6948 2.6948 3.8905 3.8905 3.9808 3.9808 4.3702 4.3702 4.4614 4.4614 4.8090 4.8090 5.0005 5.0005 5.5190 5.5190 5.6843 5.6843 6.1160 6.1160 7.2487 7.2487 7.3269 7.3269 7.6958 7.6958 11.8839 11.8839 11.9383 11.9383 13.1210 13.1210 13.1812 13.1812 k = 0.3243-0.1509-0.4856 ( 9321 PWs) bands (ev): -90.8535 -90.8535 -6.5321 -6.5321 -5.0637 -5.0637 -4.7234 -4.7234 -2.9456 -2.9456 -1.7836 -1.7836 -1.6732 -1.6732 -0.0242 -0.0242 1.0955 1.0955 1.4921 1.4921 2.2516 2.2516 2.5813 2.5813 2.7392 2.7392 3.9082 3.9082 3.9639 3.9639 4.3770 4.3770 4.4429 4.4429 4.8800 4.8800 4.9429 4.9429 5.4602 5.4602 5.6907 5.6907 6.0796 6.0796 7.2258 7.2258 7.3721 7.3721 7.6911 7.6911 11.8060 11.8060 11.9411 11.9411 13.1135 13.1135 13.1664 13.1664 k = 0.3330-0.1549-0.4987 ( 9323 PWs) bands (ev): -90.8535 -90.8535 -6.5168 -6.5168 -5.0454 -5.0454 -4.7547 -4.7547 -2.9764 -2.9764 -1.8471 -1.8471 -1.6210 -1.6210 -0.0454 -0.0454 1.0864 1.0864 1.5582 1.5582 2.3091 2.3091 2.5819 2.5819 2.7782 2.7782 3.8434 3.8434 4.0338 4.0338 4.3822 4.3822 4.4144 4.4144 4.9027 4.9027 4.9496 4.9496 5.3994 5.3994 5.6942 5.6942 6.0443 6.0443 7.1937 7.1937 7.4240 7.4240 7.6880 7.6880 11.7323 11.7323 11.9475 11.9475 13.1108 13.1108 13.1592 13.1592 k = 0.3418-0.1590-0.5118 ( 9307 PWs) bands (ev): -90.8535 -90.8535 -6.5043 -6.5043 -5.0212 -5.0212 -4.7847 -4.7847 -3.0059 -3.0059 -1.9146 -1.9146 -1.5681 -1.5681 -0.0714 -0.0714 1.0898 1.0898 1.6255 1.6255 2.3673 2.3673 2.5726 2.5726 2.8118 2.8118 3.7871 3.7871 4.0967 4.0967 4.3752 4.3752 4.3866 4.3866 4.8828 4.8828 5.0155 5.0155 5.3372 5.3372 5.6962 5.6962 6.0114 6.0114 7.1526 7.1526 7.4809 7.4809 7.6862 7.6862 11.6634 11.6634 11.9560 11.9560 13.1129 13.1129 13.1604 13.1604 k = 0.3505-0.1631-0.5250 ( 9299 PWs) bands (ev): -90.8535 -90.8535 -6.4945 -6.4945 -4.9914 -4.9914 -4.8133 -4.8133 -3.0341 -3.0341 -1.9855 -1.9855 -1.5148 -1.5148 -0.1016 -0.1016 1.1053 1.1053 1.6938 1.6938 2.4257 2.4257 2.5537 2.5537 2.8405 2.8405 3.7395 3.7395 4.1417 4.1417 4.3365 4.3365 4.3904 4.3904 4.8815 4.8815 5.0745 5.0745 5.2762 5.2762 5.6980 5.6980 5.9825 5.9825 7.1032 7.1032 7.5415 7.5415 7.6853 7.6853 11.5995 11.5995 11.9651 11.9651 13.1198 13.1198 13.1707 13.1707 k = 0.3593-0.1672-0.5381 ( 9293 PWs) bands (ev): -90.8535 -90.8535 -6.4872 -6.4872 -4.9562 -4.9562 -4.8404 -4.8404 -3.0609 -3.0609 -2.0595 -2.0595 -1.4613 -1.4613 -0.1350 -0.1350 1.1315 1.1315 1.7628 1.7628 2.4841 2.4841 2.5256 2.5256 2.8646 2.8646 3.7004 3.7004 4.1392 4.1392 4.3312 4.3312 4.3939 4.3939 4.8930 4.8930 5.1149 5.1149 5.2278 5.2278 5.7007 5.7007 5.9596 5.9596 7.0467 7.0467 7.6044 7.6044 7.6848 7.6848 11.5410 11.5410 11.9734 11.9734 13.1316 13.1316 13.1908 13.1908 k = 0.3681-0.1712-0.5512 ( 9293 PWs) bands (ev): -90.8535 -90.8535 -6.4821 -6.4821 -4.9160 -4.9160 -4.8661 -4.8661 -3.0862 -3.0862 -2.1362 -2.1362 -1.4079 -1.4079 -0.1705 -0.1705 1.1673 1.1673 1.8320 1.8320 2.4899 2.4899 2.5420 2.5420 2.8846 2.8846 3.6689 3.6689 4.0833 4.0833 4.3700 4.3700 4.3970 4.3970 4.9102 4.9102 5.0984 5.0984 5.2304 5.2304 5.7050 5.7050 5.9447 5.9447 6.9842 6.9842 7.6682 7.6682 7.6840 7.6840 11.4882 11.4882 11.9798 11.9798 13.1483 13.1483 13.2208 13.2208 k = 0.3768-0.1753-0.5643 ( 9287 PWs) bands (ev): -90.8535 -90.8535 -6.4789 -6.4789 -4.8904 -4.8904 -4.8713 -4.8713 -3.1100 -3.1100 -2.2151 -2.2151 -1.3548 -1.3548 -0.2069 -0.2069 1.2112 1.2112 1.9006 1.9006 2.4485 2.4485 2.5991 2.5991 2.9010 2.9010 3.6438 3.6438 4.0042 4.0042 4.3994 4.3994 4.4267 4.4267 4.9272 4.9272 5.0418 5.0418 5.2678 5.2678 5.7111 5.7111 5.9397 5.9397 6.9168 6.9168 7.6825 7.6825 7.7319 7.7319 11.4412 11.4412 11.9836 11.9836 13.1698 13.1698 13.2603 13.2603 k = 0.3856-0.1794-0.5775 ( 9287 PWs) bands (ev): -90.8535 -90.8535 -6.4774 -6.4774 -4.9130 -4.9130 -4.8224 -4.8224 -3.1324 -3.1324 -2.2957 -2.2957 -1.3023 -1.3023 -0.2434 -0.2434 1.2622 1.2622 1.9674 1.9674 2.4042 2.4042 2.6545 2.6545 2.9142 2.9142 3.6236 3.6236 3.9167 3.9167 4.4005 4.4005 4.4894 4.4894 4.9391 4.9391 4.9778 4.9778 5.3085 5.3085 5.7191 5.7191 5.9458 5.9458 6.8458 6.8458 7.6799 7.6799 7.7945 7.7945 11.4000 11.4000 11.9845 11.9845 13.1959 13.1959 13.3088 13.3088 k = 0.6144 0.1395-0.3426 ( 9287 PWs) bands (ev): -90.8535 -90.8535 -6.4774 -6.4774 -4.9130 -4.9130 -4.8224 -4.8224 -3.1324 -3.1324 -2.2957 -2.2957 -1.3023 -1.3023 -0.2434 -0.2434 1.2622 1.2622 1.9674 1.9674 2.4042 2.4042 2.6545 2.6545 2.9142 2.9142 3.6236 3.6236 3.9167 3.9167 4.4005 4.4005 4.4894 4.4894 4.9391 4.9391 4.9778 4.9778 5.3085 5.3085 5.7191 5.7191 5.9458 5.9458 6.8458 6.8458 7.6799 7.6799 7.7945 7.7945 11.4000 11.4000 11.9845 11.9845 13.1959 13.1959 13.3088 13.3088 k = 0.6056 0.1533-0.3426 ( 9285 PWs) bands (ev): -90.8535 -90.8535 -6.4773 -6.4773 -4.9342 -4.9342 -4.7698 -4.7698 -3.1533 -3.1533 -2.3778 -2.3778 -1.2506 -1.2506 -0.2791 -0.2791 1.3192 1.3192 2.0294 2.0294 2.3615 2.3615 2.7076 2.7076 2.9248 2.9248 3.6068 3.6068 3.8262 3.8262 4.3995 4.3995 4.5552 4.5552 4.9139 4.9139 4.9433 4.9433 5.3467 5.3467 5.7286 5.7286 5.9630 5.9630 6.7720 6.7720 7.6759 7.6759 7.8554 7.8554 11.3647 11.3647 11.9824 11.9824 13.2265 13.2265 13.3651 13.3651 k = 0.5968 0.1671-0.3426 ( 9278 PWs) bands (ev): -90.8535 -90.8535 -6.4783 -6.4783 -4.9538 -4.9538 -4.7142 -4.7142 -3.1726 -3.1726 -2.4606 -2.4606 -1.2002 -1.2002 -0.3134 -0.3134 1.3813 1.3813 2.0789 2.0789 2.3294 2.3294 2.7571 2.7571 2.9333 2.9333 3.5922 3.5922 3.7362 3.7362 4.3951 4.3951 4.6226 4.6226 4.8535 4.8535 4.9391 4.9391 5.3817 5.3817 5.7388 5.7388 5.9897 5.9897 6.6975 6.6975 7.6703 7.6703 7.9135 7.9135 11.3351 11.3351 11.9777 11.9777 13.2612 13.2612 13.4278 13.4278 k = 0.5880 0.1809-0.3426 ( 9290 PWs) bands (ev): -90.8535 -90.8535 -6.4801 -6.4801 -4.9718 -4.9718 -4.6562 -4.6562 -3.1903 -3.1903 -2.5434 -2.5434 -1.1516 -1.1516 -0.3456 -0.3456 1.4473 1.4473 2.1008 2.1008 2.3243 2.3243 2.8013 2.8013 2.9398 2.9398 3.5785 3.5785 3.6492 3.6492 4.3861 4.3861 4.6901 4.6901 4.7989 4.7989 4.9279 4.9279 5.4138 5.4138 5.7487 5.7487 6.0224 6.0224 6.6245 6.6245 7.6631 7.6631 7.9683 7.9683 11.3112 11.3112 11.9707 11.9707 13.2997 13.2997 13.4950 13.4950 k = 0.5792 0.1947-0.3426 ( 9294 PWs) bands (ev): -90.8535 -90.8535 -6.4824 -6.4824 -4.9881 -4.9881 -4.5966 -4.5966 -3.2064 -3.2064 -2.6255 -2.6255 -1.1053 -1.1053 -0.3754 -0.3754 1.5166 1.5166 2.0873 2.0873 2.3549 2.3549 2.8382 2.8382 2.9444 2.9444 3.5648 3.5648 3.5683 3.5683 4.3712 4.3712 4.7523 4.7523 4.7540 4.7540 4.9148 4.9148 5.4436 5.4436 5.7573 5.7573 6.0555 6.0555 6.5566 6.5566 7.6545 7.6545 8.0192 8.0192 11.2924 11.2924 11.9620 11.9620 13.3414 13.3414 13.5646 13.5646 k = 0.5704 0.2085-0.3426 ( 9292 PWs) bands (ev): -90.8535 -90.8535 -6.4851 -6.4851 -5.0028 -5.0028 -4.5362 -4.5362 -3.2208 -3.2208 -2.7061 -2.7061 -1.0618 -1.0618 -0.4026 -0.4026 1.5883 1.5883 2.0531 2.0531 2.4072 2.4072 2.8657 2.8657 2.9459 2.9459 3.4973 3.4973 3.5504 3.5504 4.3497 4.3497 4.7152 4.7152 4.7999 4.7999 4.9160 4.9160 5.4720 5.4720 5.7639 5.7639 6.0807 6.0807 6.4998 6.4998 7.6444 7.6444 8.0657 8.0657 11.2783 11.2783 11.9523 11.9523 13.3855 13.3855 13.6347 13.6347 k = 0.5616 0.2223-0.3426 ( 9296 PWs) bands (ev): -90.8535 -90.8535 -6.4879 -6.4879 -5.0158 -5.0158 -4.4761 -4.4761 -3.2336 -3.2336 -2.7841 -2.7841 -1.0215 -1.0215 -0.4269 -0.4269 1.6614 1.6614 2.0123 2.0123 2.4676 2.4676 2.8820 2.8820 2.9419 2.9419 3.4409 3.4409 3.5345 3.5345 4.3224 4.3224 4.6878 4.6878 4.8044 4.8044 4.9566 4.9566 5.4992 5.4992 5.7678 5.7678 6.0869 6.0869 6.4629 6.4629 7.6332 7.6332 8.1075 8.1075 11.2683 11.2683 11.9421 11.9421 13.4313 13.4313 13.7030 13.7030 k = 0.5528 0.2361-0.3426 ( 9296 PWs) bands (ev): -90.8535 -90.8535 -6.4906 -6.4906 -5.0270 -5.0270 -4.4173 -4.4173 -3.2447 -3.2447 -2.8584 -2.8584 -0.9850 -0.9850 -0.4481 -0.4481 1.7350 1.7350 1.9715 1.9715 2.5295 2.5295 2.8835 2.8835 2.9326 2.9326 3.4030 3.4030 3.5170 3.5170 4.2915 4.2915 4.6689 4.6689 4.7838 4.7838 5.0220 5.0220 5.5256 5.5256 5.7685 5.7685 6.0658 6.0658 6.4526 6.4526 7.6214 7.6214 8.1442 8.1442 11.2617 11.2617 11.9320 11.9320 13.4776 13.4776 13.7672 13.7672 k = 0.5440 0.2498-0.3426 ( 9290 PWs) bands (ev): -90.8535 -90.8535 -6.4932 -6.4932 -5.0366 -5.0366 -4.3615 -4.3615 -3.2542 -3.2542 -2.9273 -2.9273 -0.9530 -0.9530 -0.4662 -0.4662 1.8075 1.8075 1.9339 1.9339 2.5893 2.5893 2.8620 2.8620 2.9267 2.9267 3.3838 3.3838 3.4979 3.4979 4.2599 4.2599 4.6565 4.6565 4.7572 4.7572 5.0943 5.0943 5.5513 5.5513 5.7661 5.7661 6.0201 6.0201 6.4644 6.4644 7.6093 7.6093 8.1757 8.1757 11.2579 11.2579 11.9225 11.9225 13.5231 13.5231 13.8252 13.8252 k = 0.5352 0.2636-0.3426 ( 9294 PWs) bands (ev): -90.8535 -90.8535 -6.4954 -6.4954 -5.0444 -5.0444 -4.3106 -4.3106 -3.2619 -3.2619 -2.9891 -2.9891 -0.9258 -0.9258 -0.4810 -0.4810 1.8770 1.8770 1.9012 1.9012 2.6445 2.6445 2.8210 2.8210 2.9259 2.9259 3.3793 3.3793 3.4779 3.4779 4.2305 4.2305 4.6487 4.6487 4.7309 4.7309 5.1675 5.1675 5.5758 5.5758 5.7606 5.7606 5.9601 5.9601 6.4875 6.4875 7.5979 7.5979 8.2017 8.2017 11.2560 11.2560 11.9140 11.9140 13.5658 13.5658 13.8749 13.8749 k = 0.5264 0.2774-0.3426 ( 9300 PWs) bands (ev): -90.8535 -90.8535 -6.4973 -6.4973 -5.0505 -5.0505 -4.2668 -4.2668 -3.2679 -3.2679 -3.0414 -3.0414 -0.9041 -0.9041 -0.4926 -0.4926 1.8747 1.8747 1.9404 1.9404 2.6924 2.6924 2.7728 2.7728 2.9263 2.9263 3.3829 3.3829 3.4585 3.4585 4.2055 4.2055 4.6440 4.6440 4.7079 4.7079 5.2382 5.2382 5.5986 5.5986 5.7527 5.7527 5.8956 5.8956 6.5125 6.5125 7.5877 7.5877 8.2221 8.2221 11.2554 11.2554 11.9070 11.9070 13.6037 13.6037 13.9147 13.9147 k = 0.5176 0.2912-0.3426 ( 9296 PWs) bands (ev): -90.8535 -90.8535 -6.4987 -6.4987 -5.0549 -5.0549 -4.2327 -4.2327 -3.2722 -3.2722 -3.0815 -3.0815 -0.8883 -0.8883 -0.5009 -0.5009 1.8552 1.8552 1.9933 1.9933 2.7277 2.7277 2.7300 2.7300 2.9268 2.9268 3.3893 3.3893 3.4417 3.4417 4.1867 4.1867 4.6412 4.6412 4.6901 4.6901 5.3015 5.3015 5.6185 5.6185 5.7436 5.7436 5.8349 5.8349 6.5337 6.5337 7.5796 7.5796 8.2367 8.2367 11.2554 11.2554 11.9018 11.9018 13.6339 13.6339 13.9436 13.9436 k = 0.5088 0.3050-0.3426 ( 9288 PWs) bands (ev): -90.8535 -90.8535 -6.4995 -6.4995 -5.0575 -5.0575 -4.2108 -4.2108 -3.2748 -3.2748 -3.1069 -3.1069 -0.8786 -0.8786 -0.5059 -0.5059 1.8433 1.8433 2.0295 2.0295 2.6951 2.6951 2.7542 2.7542 2.9271 2.9271 3.3945 3.3945 3.4302 3.4302 4.1750 4.1750 4.6398 4.6398 4.6789 4.6789 5.3489 5.3489 5.6330 5.6330 5.7355 5.7355 5.7885 5.7885 6.5476 6.5476 7.5745 7.5745 8.2455 8.2455 11.2556 11.2556 11.8986 11.8986 13.6536 13.6536 13.9611 13.9611 k = 0.5000 0.3188-0.3426 ( 9292 PWs) bands (ev): -90.8535 -90.8535 -6.4998 -6.4998 -5.0584 -5.0584 -4.2033 -4.2033 -3.2756 -3.2756 -3.1157 -3.1157 -0.8754 -0.8754 -0.5076 -0.5076 1.8393 1.8393 2.0426 2.0426 2.6831 2.6831 2.7627 2.7627 2.9272 2.9272 3.3965 3.3965 3.4260 3.4260 4.1710 4.1710 4.6394 4.6394 4.6751 4.6751 5.3672 5.3672 5.6385 5.6385 5.7321 5.7321 5.7704 5.7704 6.5524 6.5524 7.5727 7.5727 8.2484 8.2484 11.2557 11.2557 11.8975 11.8975 13.6605 13.6605 13.9669 13.9669 k = 0.5000 0.3188-0.3426 ( 9292 PWs) bands (ev): -90.8535 -90.8535 -6.4998 -6.4998 -5.0584 -5.0584 -4.2033 -4.2033 -3.2756 -3.2756 -3.1157 -3.1157 -0.8754 -0.8754 -0.5076 -0.5076 1.8393 1.8393 2.0426 2.0426 2.6831 2.6831 2.7627 2.7627 2.9272 2.9272 3.3965 3.3965 3.4260 3.4260 4.1710 4.1710 4.6394 4.6394 4.6751 4.6751 5.3672 5.3672 5.6385 5.6385 5.7321 5.7321 5.7704 5.7704 6.5524 6.5524 7.5727 7.5727 8.2484 8.2484 11.2557 11.2557 11.8975 11.8975 13.6605 13.6605 13.9669 13.9669 k = 0.5067 0.3231-0.3288 ( 9293 PWs) bands (ev): -90.8535 -90.8535 -6.4998 -6.4998 -5.0579 -5.0579 -4.2033 -4.2033 -3.2770 -3.2770 -3.1149 -3.1149 -0.8796 -0.8796 -0.5004 -0.5004 1.8293 1.8293 2.0409 2.0409 2.6885 2.6885 2.7640 2.7640 2.9157 2.9157 3.3723 3.3723 3.4589 3.4589 4.1764 4.1764 4.6400 4.6400 4.6777 4.6777 5.3689 5.3689 5.6388 5.6388 5.7299 5.7299 5.7734 5.7734 6.5529 6.5529 7.5693 7.5693 8.2471 8.2471 11.2575 11.2575 11.8979 11.8979 13.6558 13.6558 13.9645 13.9645 k = 0.5135 0.3274-0.3150 ( 9292 PWs) bands (ev): -90.8535 -90.8535 -6.4999 -6.4999 -5.0565 -5.0565 -4.2032 -4.2032 -3.2809 -3.2809 -3.1126 -3.1126 -0.8916 -0.8916 -0.4797 -0.4797 1.8008 1.8008 2.0357 2.0357 2.6974 2.6974 2.7738 2.7738 2.8836 2.8836 3.3441 3.3441 3.5114 3.5114 4.1921 4.1921 4.6418 4.6418 4.6854 4.6854 5.3739 5.3739 5.6397 5.6397 5.7246 5.7246 5.7808 5.7808 6.5544 6.5544 7.5592 7.5592 8.2433 8.2433 11.2629 11.2629 11.8992 11.8992 13.6416 13.6416 13.9576 13.9576 k = 0.5202 0.3317-0.3012 ( 9292 PWs) bands (ev): -90.8535 -90.8535 -6.5000 -6.5000 -5.0542 -5.0542 -4.2031 -4.2031 -3.2872 -3.2872 -3.1089 -3.1089 -0.9097 -0.9097 -0.4473 -0.4473 1.7569 1.7569 2.0271 2.0271 2.6950 2.6950 2.8040 2.8040 2.8357 2.8357 3.3194 3.3194 3.5719 3.5719 4.2172 4.2172 4.6447 4.6447 4.6980 4.6980 5.3821 5.3821 5.6413 5.6413 5.7181 5.7181 5.7907 5.7907 6.5570 6.5570 7.5425 7.5425 8.2370 8.2370 11.2718 11.2718 11.9013 11.9013 13.6182 13.6182 13.9464 13.9464 k = 0.5269 0.3360-0.2874 ( 9288 PWs) bands (ev): -90.8535 -90.8535 -6.5002 -6.5002 -5.0510 -5.0510 -4.2029 -4.2029 -3.2956 -3.2956 -3.1036 -3.1036 -0.9321 -0.9321 -0.4051 -0.4051 1.7014 1.7014 2.0150 2.0150 2.6794 2.6794 2.7771 2.7771 2.8530 2.8530 3.2973 3.2973 3.6377 3.6377 4.2504 4.2504 4.6488 4.6488 4.7151 4.7151 5.3934 5.3934 5.6436 5.6436 5.7113 5.7113 5.8020 5.8020 6.5607 6.5607 7.5196 7.5196 8.2281 8.2281 11.2843 11.2843 11.9045 11.9045 13.5860 13.5860 13.9313 13.9313 k = 0.5336 0.3403-0.2736 ( 9296 PWs) bands (ev): -90.8535 -90.8535 -6.5006 -6.5006 -5.0469 -5.0469 -4.2028 -4.2028 -3.3057 -3.3057 -3.0968 -3.0968 -0.9577 -0.9577 -0.3546 -0.3546 1.6376 1.6376 1.9994 1.9994 2.6550 2.6550 2.7114 2.7114 2.9134 2.9134 3.2770 3.2770 3.7069 3.7069 4.2903 4.2903 4.6540 4.6540 4.7364 4.7364 5.4075 5.4075 5.6471 5.6471 5.7046 5.7046 5.8142 5.8142 6.5654 6.5654 7.4909 7.4909 8.2167 8.2167 11.3004 11.3004 11.9085 11.9085 13.5454 13.5454 13.9127 13.9127 k = 0.5404 0.3446-0.2598 ( 9305 PWs) bands (ev): -90.8535 -90.8535 -6.5011 -6.5011 -5.0418 -5.0418 -4.2028 -4.2028 -3.3170 -3.3170 -3.0885 -3.0885 -0.9855 -0.9855 -0.2970 -0.2970 1.5681 1.5681 1.9803 1.9803 2.6244 2.6244 2.6413 2.6413 2.9806 2.9806 3.2589 3.2589 3.7780 3.7780 4.3356 4.3356 4.6605 4.6605 4.7612 4.7612 5.4239 5.4239 5.6519 5.6519 5.6979 5.6979 5.8267 5.8267 6.5712 6.5712 7.4571 7.4571 8.2029 8.2029 11.3200 11.3200 11.9136 11.9136 13.4969 13.4969 13.8912 13.8912 k = 0.5471 0.3489-0.2459 ( 9300 PWs) bands (ev): -90.8535 -90.8535 -6.5019 -6.5019 -5.0358 -5.0358 -4.2028 -4.2028 -3.3291 -3.3291 -3.0788 -3.0788 -1.0151 -1.0151 -0.2332 -0.2332 1.4948 1.4948 1.9577 1.9577 2.5682 2.5682 2.5888 2.5888 3.0520 3.0520 3.2432 3.2432 3.8500 3.8500 4.3849 4.3849 4.6681 4.6681 4.7891 4.7891 5.4421 5.4421 5.6587 5.6587 5.6913 5.6913 5.8390 5.8390 6.5781 6.5781 7.4187 7.4187 8.1865 8.1865 11.3432 11.3432 11.9196 11.9196 13.4410 13.4410 13.8671 13.8671 k = 0.5538 0.3532-0.2321 ( 9311 PWs) bands (ev): -90.8535 -90.8535 -6.5030 -6.5030 -5.0290 -5.0290 -4.2030 -4.2030 -3.3414 -3.3414 -3.0676 -3.0676 -1.0463 -1.0463 -0.1639 -0.1639 1.4190 1.4190 1.9317 1.9317 2.4933 2.4933 2.5489 2.5489 3.1259 3.1259 3.2305 3.2305 3.9218 3.9218 4.4372 4.4372 4.6772 4.6772 4.8196 4.8196 5.4613 5.4613 5.6680 5.6680 5.6847 5.6847 5.8505 5.8505 6.5862 6.5862 7.3769 7.3769 8.1678 8.1678 11.3699 11.3699 11.9265 11.9265 13.3782 13.3782 13.8407 13.8407 k = 0.5606 0.3575-0.2183 ( 9307 PWs) bands (ev): -90.8535 -90.8535 -6.5045 -6.5045 -5.0212 -5.0212 -4.2033 -4.2033 -3.3533 -3.3533 -3.0550 -3.0550 -1.0789 -1.0789 -0.0895 -0.0895 1.3417 1.3417 1.9025 1.9025 2.4174 2.4174 2.5054 2.5054 3.2010 3.2010 3.2211 3.2211 3.9927 3.9927 4.4914 4.4914 4.6881 4.6881 4.8521 4.8521 5.4803 5.4803 5.6777 5.6777 5.6812 5.6812 5.8605 5.8605 6.5955 6.5955 7.3328 7.3328 8.1466 8.1466 11.4001 11.4001 11.9342 11.9342 13.3091 13.3091 13.8121 13.8121 k = 0.5673 0.3618-0.2045 ( 9306 PWs) bands (ev): -90.8535 -90.8535 -6.5065 -6.5065 -5.0125 -5.0125 -4.2038 -4.2038 -3.3643 -3.3643 -3.0411 -3.0411 -1.1128 -1.1128 -0.0107 -0.0107 1.2637 1.2637 1.8702 1.8702 2.3409 2.3409 2.4589 2.4589 3.2155 3.2155 3.2766 3.2766 4.0619 4.0619 4.5462 4.5462 4.7016 4.7016 4.8862 4.8862 5.4980 5.4980 5.6707 5.6707 5.6984 5.6984 5.8679 5.8679 6.6061 6.6061 7.2878 7.2878 8.1230 8.1230 11.4338 11.4338 11.9424 11.9424 13.2341 13.2341 13.7809 13.7809 k = 0.5740 0.3661-0.1907 ( 9304 PWs) bands (ev): -90.8535 -90.8535 -6.5092 -6.5092 -5.0030 -5.0030 -4.2044 -4.2044 -3.3740 -3.3740 -3.0257 -3.0257 -1.1480 -1.1480 0.0722 0.0722 1.1855 1.1855 1.8352 1.8352 2.2644 2.2644 2.4099 2.4099 3.2137 3.2137 3.3519 3.3519 4.1285 4.1285 4.5997 4.5997 4.7195 4.7195 4.9216 4.9216 5.5134 5.5134 5.6627 5.6627 5.7209 5.7209 5.8716 5.8716 6.6179 6.6179 7.2434 7.2434 8.0971 8.0971 11.4709 11.4709 11.9508 11.9508 13.1539 13.1539 13.7458 13.7458 k = 0.5808 0.3703-0.1769 ( 9302 PWs) bands (ev): -90.8535 -90.8535 -6.5125 -6.5125 -4.9924 -4.9924 -4.2052 -4.2052 -3.3818 -3.3818 -3.0091 -3.0091 -1.1844 -1.1844 0.1586 0.1586 1.1075 1.1075 1.7976 1.7976 2.1882 2.1882 2.3588 2.3588 3.2157 3.2157 3.4265 3.4265 4.1917 4.1917 4.6478 4.6478 4.7459 4.7459 4.9581 4.9581 5.5261 5.5261 5.6536 5.6536 5.7486 5.7486 5.8706 5.8706 6.6312 6.6312 7.2014 7.2014 8.0690 8.0690 11.5113 11.5113 11.9591 11.9591 13.0692 13.0692 13.7037 13.7037 k = 0.5875 0.3746-0.1631 ( 9296 PWs) bands (ev): -90.8535 -90.8535 -6.5166 -6.5166 -4.9810 -4.9810 -4.2060 -4.2060 -3.3876 -3.3876 -2.9912 -2.9912 -1.2219 -1.2219 0.2480 0.2480 1.0302 1.0302 1.7578 1.7578 2.1125 2.1125 2.3060 2.3060 3.2217 3.2217 3.4999 3.4999 4.2506 4.2506 4.6857 4.6857 4.7858 4.7858 4.9953 4.9953 5.5361 5.5361 5.6425 5.6425 5.7811 5.7811 5.8637 5.8637 6.6458 6.6458 7.1636 7.1636 8.0387 8.0387 11.5551 11.5551 11.9669 11.9669 12.9809 12.9809 13.6503 13.6503 k = 0.5942 0.3789-0.1492 ( 9290 PWs) bands (ev): -90.8535 -90.8535 -6.5217 -6.5217 -4.9686 -4.9686 -4.2068 -4.2068 -3.3909 -3.3909 -2.9721 -2.9721 -1.2605 -1.2605 0.3400 0.3400 0.9538 0.9538 1.7161 1.7161 2.0378 2.0378 2.2518 2.2518 3.2314 3.2314 3.5717 3.5717 4.3046 4.3046 4.7138 4.7138 4.8390 4.8390 5.0330 5.0330 5.5438 5.5438 5.6286 5.6286 5.8174 5.8174 5.8503 5.8503 6.6618 6.6618 7.1316 7.1316 8.0063 8.0063 11.6021 11.6021 11.9736 11.9736 12.8898 12.8898 13.5858 13.5858 k = 0.6009 0.3832-0.1354 ( 9292 PWs) bands (ev): -90.8535 -90.8535 -6.5278 -6.5278 -4.9552 -4.9552 -4.2074 -4.2074 -3.3915 -3.3915 -2.9518 -2.9518 -1.3000 -1.3000 0.4340 0.4340 0.8786 0.8786 1.6729 1.6729 1.9643 1.9643 2.1966 2.1966 3.2447 3.2447 3.6417 3.6417 4.3530 4.3530 4.7373 4.7373 4.9003 4.9003 5.0712 5.0712 5.5500 5.5500 5.6100 5.6100 5.8307 5.8307 5.8565 5.8565 6.6794 6.6794 7.1068 7.1068 7.9720 7.9720 11.6523 11.6523 11.9789 11.9789 12.7970 12.7970 13.5167 13.5167 k = 0.6077 0.3875-0.1216 ( 9294 PWs) bands (ev): -90.8535 -90.8535 -6.5350 -6.5350 -4.9407 -4.9407 -4.2077 -4.2077 -3.3893 -3.3893 -2.9304 -2.9304 -1.3404 -1.3404 0.5294 0.5294 0.8047 0.8047 1.6284 1.6284 1.8924 1.8924 2.1407 2.1407 3.2615 3.2615 3.7094 3.7094 4.3954 4.3954 4.7596 4.7596 4.9665 4.9665 5.1097 5.1097 5.5552 5.5552 5.5845 5.5845 5.8063 5.8063 5.8972 5.8972 6.6984 6.6984 7.0899 7.0899 7.9360 7.9360 11.7055 11.7055 11.9823 11.9823 12.7035 12.7035 13.4492 13.4492 k = 0.6144 0.3918-0.1078 ( 9299 PWs) bands (ev): -90.8535 -90.8535 -6.5434 -6.5434 -4.9252 -4.9252 -4.2074 -4.2074 -3.3843 -3.3843 -2.9080 -2.9080 -1.3816 -1.3816 0.6255 0.6255 0.7325 0.7325 1.5831 1.5831 1.8225 1.8225 2.0842 2.0842 3.2815 3.2815 3.7747 3.7747 4.4321 4.4321 4.7819 4.7819 5.0358 5.0358 5.1484 5.1484 5.5490 5.5490 5.5601 5.5601 5.7798 5.7798 5.9387 5.9387 6.7188 6.7188 7.0809 7.0809 7.8987 7.8987 11.7616 11.7616 11.9835 11.9835 12.6105 12.6105 13.3868 13.3868 k = 0.6144 0.3918-0.1078 ( 9299 PWs) bands (ev): -90.8535 -90.8535 -6.5434 -6.5434 -4.9252 -4.9252 -4.2074 -4.2074 -3.3843 -3.3843 -2.9080 -2.9080 -1.3816 -1.3816 0.6255 0.6255 0.7325 0.7325 1.5831 1.5831 1.8225 1.8225 2.0842 2.0842 3.2815 3.2815 3.7747 3.7747 4.4321 4.4321 4.7819 4.7819 5.0358 5.0358 5.1484 5.1484 5.5490 5.5490 5.5601 5.5601 5.7798 5.7798 5.9387 5.9387 6.7188 6.7188 7.0809 7.0809 7.8987 7.8987 11.7616 11.7616 11.9835 11.9835 12.6105 12.6105 13.3868 13.3868 k = 0.6094 0.3886-0.0929 ( 9285 PWs) bands (ev): -90.8535 -90.8535 -6.5570 -6.5570 -4.8793 -4.8793 -4.2192 -4.2192 -3.3802 -3.3802 -2.8926 -2.8926 -1.4373 -1.4373 0.6509 0.6509 0.6868 0.6868 1.5013 1.5013 1.7659 1.7659 2.0890 2.0890 3.3591 3.3591 3.8563 3.8563 4.5125 4.5125 4.7606 4.7606 5.1035 5.1035 5.1089 5.1089 5.5177 5.5177 5.5570 5.5570 5.7538 5.7538 6.0160 6.0160 6.7325 6.7325 7.1030 7.1030 7.8710 7.8710 11.7634 11.7634 11.9616 11.9616 12.5538 12.5538 13.3404 13.3404 k = 0.6045 0.3855-0.0780 ( 9285 PWs) bands (ev): -90.8535 -90.8535 -6.5719 -6.5719 -4.8302 -4.8302 -4.2317 -4.2317 -3.3722 -3.3722 -2.8760 -2.8760 -1.4954 -1.4954 0.5693 0.5693 0.7490 0.7490 1.3937 1.3937 1.7390 1.7390 2.0957 2.0957 3.4376 3.4376 3.9331 3.9331 4.5692 4.5692 4.7509 4.7509 5.0586 5.0586 5.1910 5.1910 5.4825 5.4825 5.5594 5.5594 5.7233 5.7233 6.0915 6.0915 6.7462 6.7462 7.1287 7.1287 7.8459 7.8459 11.7673 11.7673 11.9397 11.9397 12.5001 12.5001 13.2804 13.2804 k = 0.5995 0.3823-0.0631 ( 9287 PWs) bands (ev): -90.8535 -90.8535 -6.5877 -6.5877 -4.7785 -4.7785 -4.2446 -4.2446 -3.3603 -3.3603 -2.8583 -2.8583 -1.5555 -1.5555 0.4883 0.4883 0.8111 0.8111 1.2753 1.2753 1.7282 1.7282 2.1041 2.1041 3.5164 3.5164 4.0043 4.0043 4.5778 4.5778 4.7822 4.7822 5.0142 5.0142 5.2740 5.2740 5.4438 5.4438 5.5677 5.5677 5.6925 5.6925 6.1647 6.1647 6.7598 6.7598 7.1545 7.1545 7.8252 7.8252 11.7727 11.7727 11.9181 11.9181 12.4498 12.4498 13.2139 13.2139 k = 0.5945 0.3791-0.0482 ( 9283 PWs) bands (ev): -90.8535 -90.8535 -6.6042 -6.6042 -4.7247 -4.7247 -4.2576 -4.2576 -3.3446 -3.3446 -2.8397 -2.8397 -1.6173 -1.6173 0.4082 0.4082 0.8690 0.8690 1.1573 1.1573 1.7262 1.7262 2.1140 2.1140 3.5951 3.5951 4.0687 4.0687 4.5492 4.5492 4.8455 4.8455 4.9709 4.9709 5.3367 5.3367 5.4180 5.4180 5.5822 5.5822 5.6656 5.6656 6.2354 6.2354 6.7728 6.7728 7.1770 7.1770 7.8110 7.8110 11.7790 11.7790 11.8968 11.8968 12.4034 12.4034 13.1437 13.1437 k = 0.5895 0.3759-0.0333 ( 9280 PWs) bands (ev): -90.8535 -90.8535 -6.6211 -6.6211 -4.6696 -4.6696 -4.2702 -4.2702 -3.3255 -3.3255 -2.8202 -2.8202 -1.6803 -1.6803 0.3293 0.3293 0.9028 0.9028 1.0628 1.0628 1.7300 1.7300 2.1252 2.1252 3.6733 3.6733 4.1256 4.1256 4.5067 4.5067 4.9175 4.9175 4.9294 4.9294 5.3135 5.3135 5.4666 5.4666 5.6034 5.6034 5.6477 5.6477 6.3033 6.3033 6.7852 6.7852 7.1930 7.1930 7.8054 7.8054 11.7856 11.7856 11.8760 11.8760 12.3617 12.3617 13.0711 13.0711 k = 0.5846 0.3728-0.0184 ( 9280 PWs) bands (ev): -90.8535 -90.8535 -6.6380 -6.6380 -4.6140 -4.6140 -4.2820 -4.2820 -3.3030 -3.3030 -2.8000 -2.8000 -1.7442 -1.7442 0.2520 0.2520 0.8472 0.8472 1.0582 1.0582 1.7385 1.7385 2.1374 2.1374 3.7507 3.7507 4.1740 4.1740 4.4593 4.4593 4.8905 4.8905 4.9873 4.9873 5.2575 5.2575 5.5278 5.5278 5.6312 5.6312 5.6506 5.6506 6.3682 6.3682 6.7966 6.7966 7.2002 7.2002 7.8096 7.8096 11.7916 11.7916 11.8557 11.8557 12.3252 12.3252 12.9971 12.9971 k = 0.5796 0.3696-0.0035 ( 9278 PWs) bands (ev): -90.8535 -90.8535 -6.6549 -6.6549 -4.5592 -4.5592 -4.2918 -4.2918 -3.2775 -3.2775 -2.7791 -2.7791 -1.8086 -1.8086 0.1767 0.1767 0.7372 0.7372 1.1091 1.1091 1.7512 1.7512 2.1505 2.1505 3.8267 3.8267 4.2133 4.2133 4.4101 4.4101 4.8547 4.8547 5.0416 5.0416 5.2064 5.2064 5.5535 5.5535 5.6658 5.6658 5.6956 5.6956 6.4297 6.4297 6.8068 6.8068 7.1978 7.1978 7.8238 7.8238 11.7961 11.7961 11.8361 11.8361 12.2949 12.2949 12.9223 12.9223 k = 0.5746 0.3664 0.0114 ( 9269 PWs) bands (ev): -90.8535 -90.8535 -6.6715 -6.6715 -4.5074 -4.5074 -4.2976 -4.2976 -3.2492 -3.2492 -2.7577 -2.7577 -1.8732 -1.8732 0.1036 0.1036 0.6187 0.6187 1.1692 1.1692 1.7681 1.7681 2.1643 2.1643 3.9009 3.9009 4.2431 4.2431 4.3603 4.3603 4.8227 4.8227 5.0410 5.0410 5.2026 5.2026 5.5539 5.5539 5.7068 5.7068 5.7683 5.7683 6.4877 6.4877 6.8155 6.8155 7.1865 7.1865 7.8469 7.8469 11.7983 11.7983 11.8173 11.8173 12.2715 12.2715 12.8474 12.8474 k = 0.5696 0.3633 0.0263 ( 9279 PWs) bands (ev): -90.8535 -90.8535 -6.6875 -6.6875 -4.4630 -4.4630 -4.2952 -4.2952 -3.2185 -3.2185 -2.7360 -2.7360 -1.9375 -1.9375 0.0331 0.0331 0.5003 0.5003 1.2298 1.2298 1.7895 1.7895 2.1785 2.1785 3.9728 3.9728 4.2635 4.2635 4.3107 4.3107 4.7951 4.7951 4.9838 4.9838 5.2495 5.2495 5.5490 5.5490 5.7538 5.7538 5.8474 5.8474 6.5421 6.5421 6.8225 6.8225 7.1680 7.1680 7.8768 7.8768 11.7973 11.7973 11.7994 11.7994 12.2554 12.2554 12.7731 12.7731 k = 0.5647 0.3601 0.0412 ( 9283 PWs) bands (ev): -90.8535 -90.8535 -6.7030 -6.7030 -4.4329 -4.4329 -4.2782 -4.2782 -3.1857 -3.1857 -2.7142 -2.7142 -2.0012 -2.0012 -0.0346 -0.0346 0.3841 0.3841 1.2883 1.2883 1.8158 1.8158 2.1931 2.1931 4.0414 4.0414 4.2615 4.2615 4.2747 4.2747 4.7720 4.7720 4.9107 4.9107 5.3074 5.3074 5.5444 5.5444 5.8059 5.8059 5.9261 5.9261 6.5926 6.5926 6.8275 6.8275 7.1443 7.1443 7.9113 7.9113 11.7823 11.7823 11.7928 11.7928 12.2470 12.2470 12.7000 12.7000 k = 0.5597 0.3569 0.0561 ( 9290 PWs) bands (ev): -90.8535 -90.8535 -6.7177 -6.7177 -4.4200 -4.4200 -4.2437 -4.2437 -3.1512 -3.1512 -2.6924 -2.6924 -2.0640 -2.0640 -0.0992 -0.0992 0.2714 0.2714 1.3429 1.3429 1.8473 1.8473 2.2078 2.2078 4.1054 4.1054 4.2135 4.2135 4.2777 4.2777 4.7535 4.7535 4.8352 4.8352 5.3635 5.3635 5.5423 5.5423 5.8625 5.8625 6.0024 6.0024 6.6392 6.6392 6.8302 6.8302 7.1174 7.1174 7.9482 7.9482 11.7662 11.7662 11.7848 11.7848 12.2457 12.2457 12.6287 12.6287 k = 0.5547 0.3537 0.0710 ( 9286 PWs) bands (ev): -90.8535 -90.8535 -6.7316 -6.7316 -4.4188 -4.4188 -4.1976 -4.1976 -3.1156 -3.1156 -2.6708 -2.6708 -2.1253 -2.1253 -0.1604 -0.1604 0.1628 0.1628 1.3926 1.3926 1.8843 1.8843 2.2224 2.2224 4.1522 4.1522 4.1778 4.1778 4.2738 4.2738 4.7391 4.7391 4.7622 4.7622 5.4126 5.4126 5.5449 5.5449 5.9224 5.9224 6.0750 6.0750 6.6818 6.6818 6.8305 6.8305 7.0890 7.0890 7.9861 7.9861 11.7511 11.7511 11.7739 11.7739 12.2506 12.2506 12.5599 12.5599 k = 0.5497 0.3506 0.0859 ( 9285 PWs) bands (ev): -90.8535 -90.8535 -6.7446 -6.7446 -4.4232 -4.4232 -4.1466 -4.1466 -3.0793 -3.0793 -2.6498 -2.6498 -2.1848 -2.1848 -0.2178 -0.2178 0.0592 0.0592 1.4365 1.4365 1.9267 1.9267 2.2367 2.2367 4.1147 4.1147 4.2188 4.2188 4.2647 4.2647 4.6962 4.6962 4.7281 4.7281 5.4494 5.4494 5.5563 5.5563 5.9848 5.9848 6.1435 6.1435 6.7204 6.7204 6.8279 6.8279 7.0604 7.0604 8.0234 8.0234 11.7371 11.7371 11.7610 11.7610 12.2607 12.2607 12.4942 12.4942 k = 0.5448 0.3474 0.1008 ( 9285 PWs) bands (ev): -90.8535 -90.8535 -6.7565 -6.7565 -4.4298 -4.4298 -4.0943 -4.0943 -3.0430 -3.0430 -2.6295 -2.6295 -2.2418 -2.2418 -0.2712 -0.2712 -0.0386 -0.0386 1.4744 1.4744 1.9738 1.9738 2.2504 2.2504 4.0685 4.0685 4.2516 4.2516 4.2571 4.2571 4.6424 4.6424 4.7199 4.7199 5.4705 5.4705 5.5790 5.5790 6.0487 6.0487 6.2073 6.2073 6.7549 6.7549 6.8222 6.8222 7.0327 7.0327 8.0593 8.0593 11.7243 11.7243 11.7469 11.7469 12.2744 12.2744 12.4323 12.4323 k = 0.5398 0.3442 0.1156 ( 9292 PWs) bands (ev): -90.8535 -90.8535 -6.7673 -6.7673 -4.4371 -4.4371 -4.0428 -4.0428 -3.0075 -3.0075 -2.6103 -2.6103 -2.2958 -2.2958 -0.3202 -0.3202 -0.1300 -0.1300 1.5064 1.5064 2.0245 2.0245 2.2635 2.2635 4.0223 4.0223 4.2366 4.2366 4.2776 4.2776 4.6076 4.6076 4.7137 4.7137 5.4796 5.4796 5.6086 5.6086 6.1131 6.1131 6.2660 6.2660 6.7855 6.7855 6.8133 6.8133 7.0065 7.0065 8.0929 8.0929 11.7125 11.7125 11.7326 11.7326 12.2904 12.2904 12.3748 12.3748 k = 0.5348 0.3410 0.1305 ( 9284 PWs) bands (ev): -90.8535 -90.8535 -6.7770 -6.7770 -4.4442 -4.4442 -3.9935 -3.9935 -2.9736 -2.9736 -2.5923 -2.5923 -2.3460 -2.3460 -0.3645 -0.3645 -0.2140 -0.2140 1.5330 1.5330 2.0770 2.0770 2.2756 2.2756 3.9766 3.9766 4.2207 4.2207 4.2768 4.2768 4.5964 4.5964 4.7091 4.7091 5.4830 5.4830 5.6384 5.6384 6.1771 6.1771 6.3194 6.3194 6.8007 6.8007 6.8124 6.8124 6.9826 6.9826 8.1237 8.1237 11.7020 11.7020 11.7187 11.7187 12.3076 12.3076 12.3224 12.3224 k = 0.5298 0.3379 0.1454 ( 9275 PWs) bands (ev): -90.8535 -90.8535 -6.7854 -6.7854 -4.4509 -4.4509 -3.9476 -3.9476 -2.9422 -2.9422 -2.5760 -2.5760 -2.3916 -2.3916 -0.4037 -0.4037 -0.2897 -0.2897 1.5548 1.5548 2.1295 2.1295 2.2866 2.2866 3.9318 3.9318 4.2051 4.2051 4.2588 4.2588 4.6050 4.6050 4.7055 4.7055 5.4841 5.4841 5.6650 5.6650 6.2399 6.2399 6.3671 6.3671 6.7848 6.7848 6.8352 6.8352 6.9611 6.9611 8.1512 8.1512 11.6928 11.6928 11.7057 11.7057 12.2756 12.2756 12.3249 12.3249 k = 0.5249 0.3347 0.1603 ( 9290 PWs) bands (ev): -90.8535 -90.8535 -6.7927 -6.7927 -4.4568 -4.4568 -3.9060 -3.9060 -2.9142 -2.9142 -2.5616 -2.5616 -2.4318 -2.4318 -0.4375 -0.4375 -0.3562 -0.3562 1.5723 1.5723 2.1798 2.1798 2.2964 2.2964 3.8889 3.8889 4.1905 4.1905 4.2328 4.2328 4.6244 4.6244 4.7028 4.7028 5.4842 5.4842 5.6872 5.6872 6.3006 6.3006 6.4089 6.4089 6.7651 6.7651 6.8544 6.8544 6.9425 6.9425 8.1750 8.1750 11.6849 11.6849 11.6942 11.6942 12.2350 12.2350 12.3412 12.3412 k = 0.5199 0.3315 0.1752 ( 9287 PWs) bands (ev): -90.8535 -90.8535 -6.7986 -6.7986 -4.4617 -4.4617 -3.8698 -3.8698 -2.8906 -2.8906 -2.5494 -2.5494 -2.4656 -2.4656 -0.4657 -0.4657 -0.4124 -0.4124 1.5861 1.5861 2.2256 2.2256 2.3046 2.3046 3.8494 3.8494 4.1777 4.1777 4.2065 4.2065 4.6467 4.6467 4.7007 4.7007 5.4840 5.4840 5.7045 5.7045 6.3584 6.3584 6.4443 6.4443 6.7419 6.7419 6.8699 6.8699 6.9267 6.9267 8.1949 8.1949 11.6783 11.6783 11.6845 11.6845 12.2010 12.2010 12.3557 12.3557 k = 0.5149 0.3284 0.1901 ( 9304 PWs) bands (ev): -90.8535 -90.8535 -6.8033 -6.8033 -4.4657 -4.4657 -3.8402 -3.8402 -2.8721 -2.8721 -2.5395 -2.5395 -2.4923 -2.4923 -0.4879 -0.4879 -0.4573 -0.4573 1.5965 1.5965 2.2646 2.2646 2.3111 2.3111 3.8152 3.8152 4.1672 4.1672 4.1839 4.1839 4.6673 4.6673 4.6992 4.6992 5.4837 5.4837 5.7173 5.7173 6.4120 6.4120 6.4728 6.4728 6.7159 6.7159 6.8818 6.8818 6.9141 6.9141 8.2105 8.2105 11.6731 11.6731 11.6767 11.6767 12.1742 12.1742 12.3678 12.3678 k = 0.5099 0.3252 0.2050 ( 9297 PWs) bands (ev): -90.8535 -90.8535 -6.8067 -6.8067 -4.4686 -4.4686 -3.8181 -3.8181 -2.8591 -2.8591 -2.5324 -2.5324 -2.5114 -2.5114 -0.5040 -0.5040 -0.4902 -0.4902 1.6037 1.6037 2.2945 2.2945 2.3159 2.3159 3.7886 3.7886 4.1595 4.1595 4.1671 4.1671 4.6835 4.6835 4.6981 4.6981 5.4834 5.4834 5.7260 5.7260 6.4594 6.4594 6.4938 6.4938 6.6885 6.6885 6.8903 6.8903 6.9048 6.9048 8.2219 8.2219 11.6694 11.6694 11.6710 11.6710 12.1547 12.1547 12.3768 12.3768 k = 0.5050 0.3220 0.2199 ( 9292 PWs) bands (ev): -90.8535 -90.8535 -6.8087 -6.8087 -4.4703 -4.4703 -3.8044 -3.8044 -2.8514 -2.8514 -2.5280 -2.5280 -2.5228 -2.5228 -0.5137 -0.5137 -0.5102 -0.5102 1.6080 1.6080 2.3133 2.3133 2.3188 2.3188 3.7716 3.7716 4.1545 4.1545 4.1570 4.1570 4.6938 4.6938 4.6975 4.6975 5.4832 5.4832 5.7310 5.7310 6.4957 6.4957 6.5069 6.5069 6.6641 6.6641 6.8954 6.8954 6.8991 6.8991 8.2287 8.2287 11.6671 11.6671 11.6676 11.6676 12.1430 12.1430 12.3824 12.3824 k = 0.5000 0.3188 0.2348 ( 9286 PWs) bands (ev): -90.8535 -90.8535 -6.8093 -6.8093 -4.4709 -4.4709 -3.7998 -3.7998 -2.8489 -2.8489 -2.5266 -2.5266 -2.5265 -2.5265 -0.5171 -0.5171 -0.5167 -0.5167 1.6094 1.6094 2.3198 2.3198 2.3198 2.3198 3.7658 3.7658 4.1524 4.1524 4.1541 4.1541 4.6972 4.6972 4.6974 4.6974 5.4832 5.4832 5.7326 5.7326 6.5095 6.5095 6.5126 6.5126 6.6531 6.6531 6.8970 6.8970 6.8972 6.8972 8.2310 8.2310 11.6662 11.6662 11.6665 11.6665 12.1390 12.1390 12.3843 12.3843 k = 0.5000-0.2326-0.1713 ( 9312 PWs) bands (ev): -90.8535 -90.8535 -6.6882 -6.6882 -5.4156 -5.4156 -3.9193 -3.9193 -2.4622 -2.4622 -2.4356 -2.4356 -1.0320 -1.0320 -0.0189 -0.0189 0.0616 0.0616 1.6925 1.6925 1.7406 1.7406 2.4677 2.4677 2.9583 2.9583 3.1541 3.1541 3.6743 3.6743 4.2794 4.2794 4.5571 4.5571 5.3221 5.3221 5.3650 5.3650 5.5199 5.5199 6.1600 6.1600 6.5907 6.5907 6.8700 6.8700 7.4591 7.4591 7.6333 7.6333 11.9286 11.9286 11.9999 11.9999 12.2037 12.2037 14.5123 14.5123 k = 0.5082-0.2212-0.1629 ( 9308 PWs) bands (ev): -90.8535 -90.8535 -6.6877 -6.6877 -5.4149 -5.4149 -3.9197 -3.9197 -2.4635 -2.4635 -2.4391 -2.4391 -1.0341 -1.0341 -0.0131 -0.0131 0.0643 0.0643 1.6906 1.6906 1.7371 1.7371 2.4731 2.4731 2.9612 2.9612 3.1516 3.1516 3.6646 3.6646 4.2866 4.2866 4.5609 4.5609 5.3225 5.3225 5.3666 5.3666 5.5203 5.5203 6.1586 6.1586 6.5909 6.5909 6.8694 6.8694 7.4552 7.4552 7.6339 7.6339 11.9299 11.9299 12.0000 12.0000 12.2031 12.2031 14.5146 14.5146 k = 0.5163-0.2098-0.1545 ( 9294 PWs) bands (ev): -90.8535 -90.8535 -6.6864 -6.6864 -5.4128 -5.4128 -3.9209 -3.9209 -2.4673 -2.4673 -2.4495 -2.4495 -1.0400 -1.0400 0.0042 0.0042 0.0724 0.0724 1.6850 1.6850 1.7269 1.7269 2.4889 2.4889 2.9698 2.9698 3.1443 3.1443 3.6370 3.6370 4.3064 4.3064 4.5725 4.5725 5.3238 5.3238 5.3714 5.3714 5.5218 5.5218 6.1545 6.1545 6.5917 6.5917 6.8677 6.8677 7.4435 7.4435 7.6355 7.6355 11.9336 11.9336 12.0003 12.0003 12.2013 12.2013 14.5214 14.5214 k = 0.5245-0.1985-0.1462 ( 9296 PWs) bands (ev): -90.8535 -90.8535 -6.6843 -6.6843 -5.4093 -5.4093 -3.9229 -3.9229 -2.4737 -2.4737 -2.4664 -2.4664 -1.0492 -1.0492 0.0321 0.0321 0.0858 0.0858 1.6759 1.6759 1.7108 1.7108 2.5141 2.5141 2.9837 2.9837 3.1322 3.1322 3.5957 3.5957 4.3348 4.3348 4.5918 4.5918 5.3260 5.3260 5.3794 5.3794 5.5241 5.5241 6.1476 6.1476 6.5930 6.5930 6.8646 6.8646 7.4241 7.4241 7.6381 7.6381 11.9400 11.9400 12.0009 12.0009 12.1984 12.1984 14.5323 14.5323 k = 0.5327-0.1871-0.1378 ( 9300 PWs) bands (ev): -90.8535 -90.8535 -6.6813 -6.6813 -5.4044 -5.4044 -3.9256 -3.9256 -2.4897 -2.4897 -2.4823 -2.4823 -1.0612 -1.0612 0.0695 0.0695 0.1044 0.1044 1.6637 1.6637 1.6899 1.6899 2.5471 2.5471 3.0028 3.0028 3.1159 3.1159 3.5451 3.5451 4.3673 4.3673 4.6187 4.6187 5.3291 5.3291 5.3906 5.3906 5.5273 5.5273 6.1378 6.1378 6.5949 6.5949 6.8603 6.8603 7.3973 7.3973 7.6417 7.6417 11.9490 11.9490 12.0021 12.0021 12.1947 12.1947 14.5466 14.5466 k = 0.5409-0.1757-0.1294 ( 9301 PWs) bands (ev): -90.8535 -90.8535 -6.6776 -6.6776 -5.3981 -5.3981 -3.9292 -3.9292 -2.5188 -2.5188 -2.4932 -2.4932 -1.0750 -1.0750 0.1153 0.1153 0.1278 0.1278 1.6489 1.6489 1.6655 1.6655 2.5861 2.5861 3.0264 3.0264 3.0959 3.0959 3.4891 3.4891 4.4008 4.4008 4.6526 4.6526 5.3333 5.3333 5.4050 5.4050 5.5312 5.5312 6.1250 6.1250 6.5975 6.5975 6.8544 6.8544 7.3635 7.3635 7.6463 7.6463 11.9609 11.9609 12.0040 12.0040 12.1905 12.1905 14.5627 14.5627 k = 0.5490-0.1643-0.1210 ( 9297 PWs) bands (ev): -90.8535 -90.8535 -6.6730 -6.6730 -5.3904 -5.3904 -3.9336 -3.9336 -2.5531 -2.5531 -2.5062 -2.5062 -1.0900 -1.0900 0.1559 0.1559 0.1680 0.1680 1.6320 1.6320 1.6385 1.6385 2.6291 2.6291 3.0540 3.0540 3.0729 3.0729 3.4309 3.4309 4.4336 4.4336 4.6923 4.6923 5.3386 5.3386 5.4225 5.4225 5.5359 5.5359 6.1091 6.1091 6.6009 6.6009 6.8466 6.8466 7.3232 7.3232 7.6516 7.6516 11.9756 11.9756 12.0069 12.0069 12.1861 12.1861 14.5777 14.5777 k = 0.5572-0.1529-0.1126 ( 9300 PWs) bands (ev): -90.8535 -90.8535 -6.6677 -6.6677 -5.3814 -5.3814 -3.9387 -3.9387 -2.5921 -2.5921 -2.5209 -2.5209 -1.1056 -1.1056 0.1882 0.1882 0.2264 0.2264 1.6096 1.6096 1.6138 1.6138 2.6732 2.6732 3.0483 3.0483 3.0851 3.0851 3.3734 3.3734 4.4651 4.4651 4.7361 4.7361 5.3453 5.3453 5.4432 5.4432 5.5411 5.5411 6.0900 6.0900 6.6052 6.6052 6.8366 6.8366 7.2771 7.2771 7.6577 7.6577 11.9934 11.9934 12.0111 12.0111 12.1820 12.1820 14.5660 14.5660 k = 0.5654-0.1415-0.1042 ( 9301 PWs) bands (ev): -90.8535 -90.8535 -6.6618 -6.6618 -5.3710 -5.3710 -3.9446 -3.9446 -2.6349 -2.6349 -2.5373 -2.5373 -1.1214 -1.1214 0.2244 0.2244 0.2894 0.2894 1.5797 1.5797 1.5948 1.5948 2.7145 2.7145 3.0239 3.0239 3.1190 3.1190 3.3197 3.3197 4.4954 4.4954 4.7823 4.7823 5.3533 5.3533 5.4666 5.4666 5.5468 5.5468 6.0675 6.0675 6.6106 6.6106 6.8237 6.8237 7.2263 7.2263 7.6645 7.6645 12.0139 12.0139 12.0169 12.0169 12.1789 12.1789 14.4032 14.4032 k = 0.5735-0.1301-0.0958 ( 9295 PWs) bands (ev): -90.8535 -90.8535 -6.6551 -6.6551 -5.3593 -5.3593 -3.9513 -3.9513 -2.6810 -2.6810 -2.5551 -2.5551 -1.1371 -1.1371 0.2638 0.2638 0.3557 0.3557 1.5490 1.5490 1.5756 1.5756 2.7467 2.7467 3.0031 3.0031 3.1553 3.1553 3.2739 3.2739 4.5249 4.5249 4.8296 4.8296 5.3630 5.3630 5.4925 5.4925 5.5528 5.5528 6.0415 6.0415 6.6172 6.6172 6.8066 6.8066 7.1724 7.1724 7.6718 7.6718 12.0245 12.0245 12.0367 12.0367 12.1779 12.1779 14.2384 14.2384 k = 0.5817-0.1187-0.0875 ( 9295 PWs) bands (ev): -90.8535 -90.8535 -6.6480 -6.6480 -5.3462 -5.3462 -3.9588 -3.9588 -2.7296 -2.7296 -2.5741 -2.5741 -1.1526 -1.1526 0.3061 0.3061 0.4244 0.4244 1.5178 1.5178 1.5571 1.5571 2.7607 2.7607 2.9899 2.9899 3.1933 3.1933 3.2417 3.2417 4.5538 4.5538 4.8769 4.8769 5.3743 5.3743 5.5205 5.5205 5.5590 5.5590 6.0118 6.0118 6.6252 6.6252 6.7838 6.7838 7.1173 7.1173 7.6797 7.6797 12.0342 12.0342 12.0603 12.0603 12.1809 12.1809 14.0733 14.0733 k = 0.5899-0.1074-0.0791 ( 9284 PWs) bands (ev): -90.8535 -90.8535 -6.6403 -6.6403 -5.3319 -5.3319 -3.9670 -3.9670 -2.7799 -2.7799 -2.5940 -2.5940 -1.1676 -1.1676 0.3506 0.3506 0.4945 0.4945 1.4865 1.4865 1.5398 1.5398 2.7507 2.7507 2.9831 2.9831 3.2309 3.2309 3.2327 3.2327 4.5822 4.5822 4.9234 4.9234 5.3875 5.3875 5.5497 5.5497 5.5652 5.5652 5.9783 5.9783 6.6350 6.6350 6.7528 6.7528 7.0640 7.0640 7.6880 7.6880 12.0462 12.0462 12.0815 12.0815 12.1916 12.1916 13.9089 13.9089 k = 0.5981-0.0960-0.0707 ( 9283 PWs) bands (ev): -90.8535 -90.8535 -6.6322 -6.6322 -5.3162 -5.3162 -3.9760 -3.9760 -2.8314 -2.8314 -2.6146 -2.6146 -1.1822 -1.1822 0.3965 0.3965 0.5650 0.5650 1.4553 1.4553 1.5246 1.5246 2.7196 2.7196 2.9749 2.9749 3.2472 3.2472 3.2727 3.2727 4.6102 4.6102 4.9689 4.9689 5.4026 5.4026 5.5714 5.5714 5.5797 5.5797 5.9409 5.9409 6.6467 6.6467 6.7109 6.7109 7.0156 7.0156 7.6968 7.6968 12.0607 12.0607 12.0967 12.0967 12.2139 12.2139 13.7462 13.7462 k = 0.6062-0.0846-0.0623 ( 9273 PWs) bands (ev): -90.8535 -90.8535 -6.6238 -6.6238 -5.2994 -5.2994 -3.9858 -3.9858 -2.8833 -2.8833 -2.6358 -2.6358 -1.1965 -1.1965 0.4431 0.4431 0.6348 0.6348 1.4244 1.4244 1.5124 1.5124 2.6745 2.6745 2.9620 2.9620 3.2876 3.2876 3.3131 3.3131 4.6379 4.6379 5.0132 5.0132 5.4197 5.4197 5.5775 5.5775 5.6095 5.6095 5.8995 5.8995 6.6561 6.6561 6.6605 6.6605 6.9746 6.9746 7.7059 7.7059 12.0776 12.0776 12.1049 12.1049 12.2490 12.2490 13.5858 13.5858 k = 0.6144-0.0732-0.0539 ( 9280 PWs) bands (ev): -90.8535 -90.8535 -6.6151 -6.6151 -5.2813 -5.2813 -3.9965 -3.9965 -2.9349 -2.9349 -2.6572 -2.6572 -1.2104 -1.2104 0.4894 0.4894 0.7028 0.7028 1.3945 1.3945 1.5040 1.5040 2.6207 2.6207 2.9472 2.9472 3.3444 3.3444 3.3535 3.3535 4.6653 4.6653 5.0562 5.0562 5.4390 5.4390 5.5832 5.5832 5.6383 5.6383 5.8541 5.8541 6.5887 6.5887 6.6767 6.6767 6.9414 6.9414 7.7155 7.7155 12.0972 12.0972 12.1085 12.1085 12.2948 12.2948 13.4283 13.4283 k = 0.6226-0.0618-0.0455 ( 9277 PWs) bands (ev): -90.8535 -90.8535 -6.6063 -6.6063 -5.2620 -5.2620 -4.0079 -4.0079 -2.9858 -2.9858 -2.6788 -2.6788 -1.2240 -1.2240 0.5343 0.5343 0.7672 0.7672 1.3664 1.3664 1.5004 1.5004 2.5615 2.5615 2.9340 2.9340 3.3934 3.3934 3.4114 3.4114 4.6922 4.6922 5.0981 5.0981 5.4605 5.4605 5.5884 5.5884 5.6653 5.6653 5.8047 5.8047 6.5103 6.5103 6.6954 6.6954 6.9146 6.9146 7.7254 7.7254 12.1096 12.1096 12.1194 12.1194 12.3491 12.3491 13.2743 13.2743 k = 0.6307-0.0504-0.0371 ( 9281 PWs) bands (ev): -90.8535 -90.8535 -6.5975 -6.5975 -5.2416 -5.2416 -4.0202 -4.0202 -3.0353 -3.0353 -2.7003 -2.7003 -1.2373 -1.2373 0.5768 0.5768 0.8260 0.8260 1.3418 1.3418 1.5027 1.5027 2.4989 2.4989 2.9247 2.9247 3.4326 3.4326 3.4846 3.4846 4.7185 4.7185 5.1390 5.1390 5.4841 5.4841 5.5931 5.5931 5.6897 5.6897 5.7514 5.7514 6.4234 6.4234 6.7168 6.7168 6.8926 6.8926 7.7358 7.7358 12.1095 12.1095 12.1441 12.1441 12.4107 12.4107 13.1241 13.1241 k = 0.6389-0.0390-0.0287 ( 9285 PWs) bands (ev): -90.8535 -90.8535 -6.5888 -6.5888 -5.2201 -5.2201 -4.0333 -4.0333 -3.0830 -3.0830 -2.7216 -2.7216 -1.2504 -1.2504 0.6157 0.6157 0.8759 0.8759 1.3232 1.3232 1.5120 1.5120 2.4343 2.4343 2.9206 2.9206 3.4708 3.4708 3.5620 3.5620 4.7442 4.7442 5.1789 5.1789 5.5097 5.5097 5.5972 5.5972 5.6927 5.6927 5.7129 5.7129 6.3303 6.3303 6.7407 6.7407 6.8735 6.8735 7.7467 7.7467 12.1086 12.1086 12.1712 12.1712 12.4786 12.4786 12.9783 12.9783 k = 0.6471-0.0276-0.0204 ( 9287 PWs) bands (ev): -90.8535 -90.8535 -6.5804 -6.5804 -5.1975 -5.1975 -4.0473 -4.0473 -3.1282 -3.1282 -2.7425 -2.7425 -1.2632 -1.2632 0.6500 0.6500 0.9127 0.9127 1.3145 1.3145 1.5290 1.5290 2.3684 2.3684 2.9225 2.9225 3.5076 3.5076 3.6420 3.6420 4.7691 4.7691 5.2179 5.2179 5.5371 5.5371 5.6004 5.6004 5.6329 5.6329 5.7304 5.7304 6.2327 6.2327 6.7671 6.7671 6.8564 6.8564 7.7581 7.7581 12.1070 12.1070 12.2007 12.2007 12.5526 12.5526 12.8373 12.8373 k = 0.6553-0.0163-0.0120 ( 9290 PWs) bands (ev): -90.8535 -90.8535 -6.5723 -6.5723 -5.1739 -5.1739 -4.0621 -4.0621 -3.1707 -3.1707 -2.7630 -2.7630 -1.2759 -1.2759 0.6789 0.6789 0.9321 0.9321 1.3196 1.3196 1.5545 1.5545 2.3020 2.3020 2.9308 2.9308 3.5430 3.5430 3.7239 3.7239 4.7929 4.7929 5.2557 5.2557 5.5655 5.5655 5.5691 5.5691 5.6030 5.6030 5.7451 5.7451 6.1322 6.1322 6.7956 6.7956 6.8405 6.8405 7.7700 7.7700 12.1045 12.1045 12.2323 12.2323 12.6321 12.6321 12.7017 12.7017 k = 0.6634-0.0049-0.0036 ( 9291 PWs) bands (ev): -90.8535 -90.8535 -6.5648 -6.5648 -5.1493 -5.1493 -4.0776 -4.0776 -3.2099 -3.2099 -2.7828 -2.7828 -1.2884 -1.2884 0.7019 0.7019 0.9327 0.9327 1.3396 1.3396 1.5887 1.5887 2.2355 2.2355 2.9456 2.9456 3.5767 3.5767 3.8068 3.8068 4.8152 4.8152 5.2920 5.2920 5.5032 5.5032 5.5917 5.5917 5.6072 5.6072 5.7565 5.7565 6.0308 6.0308 6.8253 6.8253 6.8261 6.8261 7.7825 7.7825 12.1008 12.1008 12.2652 12.2652 12.5725 12.5725 12.7167 12.7167 k = 0.6716 0.0065 0.0048 ( 9287 PWs) bands (ev): -90.8535 -90.8535 -6.5580 -6.5580 -5.1238 -5.1238 -4.0938 -4.0938 -3.2457 -3.2457 -2.8019 -2.8019 -1.3008 -1.3008 0.7193 0.7193 0.9169 0.9169 1.3718 1.3718 1.6312 1.6312 2.1695 2.1695 2.9672 2.9672 3.6085 3.6085 3.8902 3.8902 4.8357 4.8357 5.3237 5.3237 5.4383 5.4383 5.5999 5.5999 5.6262 5.6262 5.7645 5.7645 5.9316 5.9316 6.8106 6.8106 6.8580 6.8580 7.7956 7.7956 12.0954 12.0954 12.2967 12.2967 12.4527 12.4527 12.8059 12.8059 k = 0.6798 0.0179 0.0132 ( 9301 PWs) bands (ev): -90.8535 -90.8535 -6.5521 -6.5521 -5.0975 -5.0975 -4.1105 -4.1105 -3.2776 -3.2776 -2.8202 -2.8202 -1.3129 -1.3129 0.7312 0.7312 0.8892 0.8892 1.4114 1.4114 1.6816 1.6816 2.1042 2.1042 2.9952 2.9952 3.6385 3.6385 3.9737 3.9737 4.8537 4.8537 5.3281 5.3281 5.3981 5.3981 5.5987 5.5987 5.6427 5.6427 5.7697 5.7697 5.8435 5.8435 6.7963 6.7963 6.8908 6.8908 7.8094 7.8094 12.0879 12.0879 12.2948 12.2948 12.3745 12.3745 12.8990 12.8990 k = 0.6879 0.0293 0.0216 ( 9300 PWs) bands (ev): -90.8535 -90.8535 -6.5472 -6.5472 -5.0703 -5.0703 -4.1274 -4.1274 -3.3057 -3.3057 -2.8375 -2.8375 -1.3249 -1.3249 0.7386 0.7386 0.8535 0.8535 1.4544 1.4544 1.7387 1.7387 2.0405 2.0405 3.0297 3.0297 3.6664 3.6664 4.0566 4.0566 4.8680 4.8680 5.2735 5.2735 5.4154 5.4154 5.5920 5.5920 5.6254 5.6254 5.7724 5.7724 5.7942 5.7942 6.7822 6.7822 6.9241 6.9241 7.8237 7.8237 12.0779 12.0779 12.2036 12.2036 12.3940 12.3940 12.9949 12.9949 k = 0.6961 0.0407 0.0300 ( 9292 PWs) bands (ev): -90.8535 -90.8535 -6.5435 -6.5435 -5.0424 -5.0424 -4.1445 -4.1445 -3.3296 -3.3296 -2.8539 -2.8539 -1.3367 -1.3367 0.7420 0.7420 0.8127 0.8127 1.4973 1.4973 1.8015 1.8015 1.9791 1.9791 3.0702 3.0702 3.6922 3.6922 4.1385 4.1385 4.8767 4.8767 5.2063 5.2063 5.4455 5.4455 5.5413 5.5413 5.5980 5.5980 5.7733 5.7733 5.7991 5.7991 6.7683 6.7683 6.9573 6.9573 7.8385 7.8385 12.0649 12.0649 12.1020 12.1020 12.4325 12.4325 13.0920 13.0920 k = 0.7043 0.0521 0.0383 ( 9290 PWs) bands (ev): -90.8535 -90.8535 -6.5411 -6.5411 -5.0139 -5.0139 -4.1613 -4.1613 -3.3494 -3.3494 -2.8692 -2.8692 -1.3483 -1.3483 0.7424 0.7424 0.7684 0.7684 1.5370 1.5370 1.8686 1.8686 1.9218 1.9218 3.1162 3.1162 3.7160 3.7160 4.2186 4.2186 4.8763 4.8763 5.1423 5.1423 5.4480 5.4480 5.4760 5.4760 5.5896 5.5896 5.7732 5.7732 5.8275 5.8275 6.7549 6.7549 6.9900 6.9900 7.8536 7.8536 12.0055 12.0055 12.0488 12.0488 12.4746 12.4746 13.1873 13.1873 k = 0.7125 0.0635 0.0467 ( 9292 PWs) bands (ev): -90.8535 -90.8535 -6.5402 -6.5402 -4.9848 -4.9848 -4.1777 -4.1777 -3.3651 -3.3651 -2.8833 -2.8833 -1.3597 -1.3597 0.7219 0.7219 0.7406 0.7406 1.5695 1.5695 1.8719 1.8719 1.9390 1.9390 3.1672 3.1672 3.7377 3.7377 4.2960 4.2960 4.8614 4.8614 5.0897 5.0897 5.3478 5.3478 5.5044 5.5044 5.5812 5.5812 5.7733 5.7733 5.8629 5.8629 6.7420 6.7420 7.0217 7.0217 7.8689 7.8689 11.9162 11.9162 12.0296 12.0296 12.5186 12.5186 13.2746 13.2746 k = 0.7206 0.0748 0.0551 ( 9291 PWs) bands (ev): -90.8535 -90.8535 -6.5409 -6.5409 -4.9552 -4.9552 -4.1931 -4.1931 -3.3767 -3.3767 -2.8963 -2.8963 -1.3708 -1.3708 0.6741 0.6741 0.7371 0.7371 1.5877 1.5877 1.8360 1.8360 2.0112 2.0112 3.2226 3.2226 3.7573 3.7573 4.3686 4.3686 4.8279 4.8279 5.0547 5.0547 5.2471 5.2471 5.5293 5.5293 5.5715 5.5715 5.7750 5.7750 5.9007 5.9007 6.7298 6.7298 7.0521 7.0521 7.8840 7.8840 11.8348 11.8348 12.0076 12.0076 12.5640 12.5640 13.3435 13.3435 k = 0.7288 0.0862 0.0635 ( 9299 PWs) bands (ev): -90.8535 -90.8535 -6.5434 -6.5434 -4.9252 -4.9252 -4.2074 -4.2074 -3.3843 -3.3843 -2.9080 -2.9080 -1.3816 -1.3816 0.6256 0.6256 0.7325 0.7325 1.5831 1.5831 1.8225 1.8225 2.0842 2.0842 3.2815 3.2815 3.7747 3.7747 4.4321 4.4321 4.7819 4.7819 5.0358 5.0358 5.1483 5.1483 5.5491 5.5491 5.5601 5.5601 5.7798 5.7798 5.9387 5.9387 6.7188 6.7188 7.0810 7.0810 7.8986 7.8986 11.7616 11.7616 11.9835 11.9835 12.6105 12.6105 13.3868 13.3868 Writing output data file BexB6Cx2.save init_run : 0.69s CPU 1.01s WALL ( 1 calls) electrons : 279.99s CPU 284.35s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.22s WALL ( 1 calls) potinit : 0.08s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 279.98s CPU 284.34s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.06s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.16s WALL ( 265 calls) cegterg : 240.62s CPU 242.77s WALL ( 434 calls) Called by sum_band: Called by *egterg: h_psi : 169.30s CPU 170.92s WALL ( 7613 calls) s_psi : 8.07s CPU 8.24s WALL ( 7613 calls) g_psi : 0.38s CPU 0.46s WALL ( 6914 calls) cdiaghg : 59.95s CPU 60.70s WALL ( 7179 calls) cegterg:over : 12.32s CPU 12.20s WALL ( 6914 calls) cegterg:upda : 12.04s CPU 12.23s WALL ( 6914 calls) cegterg:last : 4.77s CPU 4.72s WALL ( 964 calls) cdiaghg:chol : 3.38s CPU 3.53s WALL ( 7179 calls) cdiaghg:inve : 2.26s CPU 2.40s WALL ( 7179 calls) cdiaghg:para : 3.63s CPU 3.70s WALL ( 14358 calls) Called by h_psi: h_psi:vloc : 147.70s CPU 149.34s WALL ( 7613 calls) h_psi:vnl : 20.92s CPU 20.92s WALL ( 7613 calls) add_vuspsi : 8.84s CPU 8.97s WALL ( 7613 calls) General routines calbec : 12.05s CPU 11.94s WALL ( 7613 calls) fft : 0.02s CPU 0.03s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 131.35s CPU 133.00s WALL ( 777992 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.24s CPU 0.39s WALL ( 530 calls) Parallel routines fft_scatter : 42.65s CPU 43.24s WALL ( 778015 calls) PWSCF : 5m 3.88s CPU 5m41.81s WALL This run was terminated on: 16:17:10 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=