Program PWSCF v.5.3.0 (svn rev. 11974) starts on 30Jan2017 at 11:20:11 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: ./NaIO3.save/ file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 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 47 38 11 1367 1023 163 Max 48 39 13 1369 1039 166 Sum 1693 1403 411 49247 37049 5891 bravais-lattice index = 14 lattice parameter (alat) = 8.1082 a.u. unit-cell volume = 500.5285 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.108191 celldm(2)= 1.000000 celldm(3)= 0.943909 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.102043 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.102043 0.994780 0.000000 ) a(3) = ( 0.000000 0.000000 0.943909 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.102579 -0.000000 ) b(2) = ( 0.000000 1.005247 -0.000000 ) b(3) = ( 0.000000 0.000000 1.059425 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 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 I read from file: /users/gautes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1247 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Na 9.00 22.98980 Na( 1.00) I 7.00 126.90450 I( 1.00) 4 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 = 2 180 deg rotation - cart. axis [0,0,1] 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 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 448 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022321 k( 2) = ( 0.0090741 0.0100525 -0.0000000), wk = 0.0022321 k( 3) = ( 0.0181481 0.0201049 -0.0000000), wk = 0.0022321 k( 4) = ( 0.0272222 0.0301574 -0.0000000), wk = 0.0022321 k( 5) = ( 0.0362962 0.0402099 -0.0000000), wk = 0.0022321 k( 6) = ( 0.0453703 0.0502624 -0.0000000), wk = 0.0022321 k( 7) = ( 0.0544443 0.0603148 -0.0000000), wk = 0.0022321 k( 8) = ( 0.0635184 0.0703673 -0.0000000), wk = 0.0022321 k( 9) = ( 0.0725924 0.0804198 -0.0000000), wk = 0.0022321 k( 10) = ( 0.0816665 0.0904723 -0.0000000), wk = 0.0022321 k( 11) = ( 0.0907405 0.1005247 -0.0000000), wk = 0.0022321 k( 12) = ( 0.0998146 0.1105772 -0.0000000), wk = 0.0022321 k( 13) = ( 0.1088887 0.1206297 -0.0000000), wk = 0.0022321 k( 14) = ( 0.1179627 0.1306822 -0.0000000), wk = 0.0022321 k( 15) = ( 0.1270368 0.1407346 -0.0000000), wk = 0.0022321 k( 16) = ( 0.1361108 0.1507871 -0.0000000), wk = 0.0022321 k( 17) = ( 0.1451849 0.1608396 -0.0000000), wk = 0.0022321 k( 18) = ( 0.1542589 0.1708921 -0.0000000), wk = 0.0022321 k( 19) = ( 0.1633330 0.1809445 -0.0000000), wk = 0.0022321 k( 20) = ( 0.1724070 0.1909970 -0.0000000), wk = 0.0022321 k( 21) = ( 0.1814811 0.2010495 -0.0000000), wk = 0.0022321 k( 22) = ( 0.1905551 0.2111020 -0.0000000), wk = 0.0022321 k( 23) = ( 0.1996292 0.2211544 -0.0000000), wk = 0.0022321 k( 24) = ( 0.2087033 0.2312069 -0.0000000), wk = 0.0022321 k( 25) = ( 0.2177773 0.2412594 -0.0000000), wk = 0.0022321 k( 26) = ( 0.2268514 0.2513119 -0.0000000), wk = 0.0022321 k( 27) = ( 0.2359254 0.2613643 -0.0000000), wk = 0.0022321 k( 28) = ( 0.2449995 0.2714168 -0.0000000), wk = 0.0022321 k( 29) = ( 0.2540735 0.2814693 -0.0000000), wk = 0.0022321 k( 30) = ( 0.2631476 0.2915218 -0.0000000), wk = 0.0022321 k( 31) = ( 0.2722216 0.3015742 -0.0000000), wk = 0.0022321 k( 32) = ( 0.2812957 0.3116267 -0.0000000), wk = 0.0022321 k( 33) = ( 0.2903697 0.3216792 -0.0000000), wk = 0.0022321 k( 34) = ( 0.2994438 0.3317317 -0.0000000), wk = 0.0022321 k( 35) = ( 0.3085178 0.3417841 -0.0000000), wk = 0.0022321 k( 36) = ( 0.3175919 0.3518366 -0.0000000), wk = 0.0022321 k( 37) = ( 0.3266660 0.3618891 -0.0000000), wk = 0.0022321 k( 38) = ( 0.3357400 0.3719415 -0.0000000), wk = 0.0022321 k( 39) = ( 0.3448141 0.3819940 -0.0000000), wk = 0.0022321 k( 40) = ( 0.3538881 0.3920465 -0.0000000), wk = 0.0022321 k( 41) = ( 0.3629622 0.4020990 -0.0000000), wk = 0.0022321 k( 42) = ( 0.3720362 0.4121514 -0.0000000), wk = 0.0022321 k( 43) = ( 0.3811103 0.4222039 -0.0000000), wk = 0.0022321 k( 44) = ( 0.3901843 0.4322564 -0.0000000), wk = 0.0022321 k( 45) = ( 0.3992584 0.4423089 -0.0000000), wk = 0.0022321 k( 46) = ( 0.4083325 0.4523613 -0.0000000), wk = 0.0022321 k( 47) = ( 0.4174065 0.4624138 -0.0000000), wk = 0.0022321 k( 48) = ( 0.4264806 0.4724663 -0.0000000), wk = 0.0022321 k( 49) = ( 0.4355546 0.4825188 -0.0000000), wk = 0.0022321 k( 50) = ( 0.4446287 0.4925712 -0.0000000), wk = 0.0022321 k( 51) = ( 0.4537027 0.5026237 -0.0000000), wk = 0.0022321 k( 52) = ( 0.4537027 0.5026237 -0.0000000), wk = 0.0022321 k( 53) = ( 0.4403585 0.5026237 -0.0000000), wk = 0.0022321 k( 54) = ( 0.4270143 0.5026237 -0.0000000), wk = 0.0022321 k( 55) = ( 0.4136701 0.5026237 -0.0000000), wk = 0.0022321 k( 56) = ( 0.4003259 0.5026237 -0.0000000), wk = 0.0022321 k( 57) = ( 0.3869817 0.5026237 -0.0000000), wk = 0.0022321 k( 58) = ( 0.3736375 0.5026237 -0.0000000), wk = 0.0022321 k( 59) = ( 0.3602933 0.5026237 -0.0000000), wk = 0.0022321 k( 60) = ( 0.3469491 0.5026237 -0.0000000), wk = 0.0022321 k( 61) = ( 0.3336049 0.5026237 -0.0000000), wk = 0.0022321 k( 62) = ( 0.3202607 0.5026237 -0.0000000), wk = 0.0022321 k( 63) = ( 0.3069166 0.5026237 -0.0000000), wk = 0.0022321 k( 64) = ( 0.2935723 0.5026237 -0.0000000), wk = 0.0022321 k( 65) = ( 0.2802282 0.5026237 -0.0000000), wk = 0.0022321 k( 66) = ( 0.2668839 0.5026237 -0.0000000), wk = 0.0022321 k( 67) = ( 0.2535398 0.5026237 -0.0000000), wk = 0.0022321 k( 68) = ( 0.2401956 0.5026237 -0.0000000), wk = 0.0022321 k( 69) = ( 0.2268514 0.5026237 -0.0000000), wk = 0.0022321 k( 70) = ( 0.2135072 0.5026237 -0.0000000), wk = 0.0022321 k( 71) = ( 0.2001630 0.5026237 -0.0000000), wk = 0.0022321 k( 72) = ( 0.1868188 0.5026237 -0.0000000), wk = 0.0022321 k( 73) = ( 0.1734746 0.5026237 -0.0000000), wk = 0.0022321 k( 74) = ( 0.1601304 0.5026237 -0.0000000), wk = 0.0022321 k( 75) = ( 0.1467862 0.5026237 -0.0000000), wk = 0.0022321 k( 76) = ( 0.1334420 0.5026237 -0.0000000), wk = 0.0022321 k( 77) = ( 0.1200978 0.5026237 -0.0000000), wk = 0.0022321 k( 78) = ( 0.1067536 0.5026237 -0.0000000), wk = 0.0022321 k( 79) = ( 0.0934094 0.5026237 -0.0000000), wk = 0.0022321 k( 80) = ( 0.0800652 0.5026237 -0.0000000), wk = 0.0022321 k( 81) = ( 0.0667210 0.5026237 -0.0000000), wk = 0.0022321 k( 82) = ( 0.0533768 0.5026237 -0.0000000), wk = 0.0022321 k( 83) = ( 0.0400326 0.5026237 -0.0000000), wk = 0.0022321 k( 84) = ( 0.0266884 0.5026237 -0.0000000), wk = 0.0022321 k( 85) = ( 0.0133442 0.5026237 -0.0000000), wk = 0.0022321 k( 86) = ( 0.0000000 0.5026237 -0.0000000), wk = 0.0022321 k( 87) = ( 0.0000000 0.5026237 -0.0000000), wk = 0.0022321 k( 88) = ( 0.0000000 0.5026237 0.0135824), wk = 0.0022321 k( 89) = ( 0.0000000 0.5026237 0.0271647), wk = 0.0022321 k( 90) = ( 0.0000000 0.5026237 0.0407471), wk = 0.0022321 k( 91) = ( 0.0000000 0.5026237 0.0543295), wk = 0.0022321 k( 92) = ( 0.0000000 0.5026237 0.0679118), wk = 0.0022321 k( 93) = ( 0.0000000 0.5026237 0.0814942), wk = 0.0022321 k( 94) = ( 0.0000000 0.5026237 0.0950766), wk = 0.0022321 k( 95) = ( 0.0000000 0.5026237 0.1086589), wk = 0.0022321 k( 96) = ( 0.0000000 0.5026237 0.1222413), wk = 0.0022321 k( 97) = ( 0.0000000 0.5026237 0.1358237), wk = 0.0022321 k( 98) = ( 0.0000000 0.5026237 0.1494060), wk = 0.0022321 k( 99) = ( 0.0000000 0.5026237 0.1629884), wk = 0.0022321 k( 100) = ( 0.0000000 0.5026237 0.1765708), wk = 0.0022321 k( 101) = ( 0.0000000 0.5026237 0.1901532), wk = 0.0022321 k( 102) = ( 0.0000000 0.5026237 0.2037355), wk = 0.0022321 k( 103) = ( 0.0000000 0.5026237 0.2173179), wk = 0.0022321 k( 104) = ( 0.0000000 0.5026237 0.2309003), wk = 0.0022321 k( 105) = ( 0.0000000 0.5026237 0.2444826), wk = 0.0022321 k( 106) = ( 0.0000000 0.5026237 0.2580650), wk = 0.0022321 k( 107) = ( 0.0000000 0.5026237 0.2716474), wk = 0.0022321 k( 108) = ( 0.0000000 0.5026237 0.2852297), wk = 0.0022321 k( 109) = ( 0.0000000 0.5026237 0.2988121), wk = 0.0022321 k( 110) = ( 0.0000000 0.5026237 0.3123945), wk = 0.0022321 k( 111) = ( 0.0000000 0.5026237 0.3259768), wk = 0.0022321 k( 112) = ( 0.0000000 0.5026237 0.3395592), wk = 0.0022321 k( 113) = ( 0.0000000 0.5026237 0.3531416), wk = 0.0022321 k( 114) = ( 0.0000000 0.5026237 0.3667239), wk = 0.0022321 k( 115) = ( 0.0000000 0.5026237 0.3803063), wk = 0.0022321 k( 116) = ( 0.0000000 0.5026237 0.3938887), wk = 0.0022321 k( 117) = ( 0.0000000 0.5026237 0.4074710), wk = 0.0022321 k( 118) = ( 0.0000000 0.5026237 0.4210534), wk = 0.0022321 k( 119) = ( 0.0000000 0.5026237 0.4346358), wk = 0.0022321 k( 120) = ( 0.0000000 0.5026237 0.4482181), wk = 0.0022321 k( 121) = ( 0.0000000 0.5026237 0.4618005), wk = 0.0022321 k( 122) = ( 0.0000000 0.5026237 0.4753829), wk = 0.0022321 k( 123) = ( 0.0000000 0.5026237 0.4889653), wk = 0.0022321 k( 124) = ( 0.0000000 0.5026237 0.5025476), wk = 0.0022321 k( 125) = ( 0.0000000 0.5026237 0.5161300), wk = 0.0022321 k( 126) = ( 0.0000000 0.5026237 0.5297124), wk = 0.0022321 k( 127) = ( 0.0000000 0.5026237 0.5297124), wk = 0.0022321 k( 128) = ( 0.0133442 0.5026237 0.5297124), wk = 0.0022321 k( 129) = ( 0.0266884 0.5026237 0.5297124), wk = 0.0022321 k( 130) = ( 0.0400326 0.5026237 0.5297124), wk = 0.0022321 k( 131) = ( 0.0533768 0.5026237 0.5297124), wk = 0.0022321 k( 132) = ( 0.0667210 0.5026237 0.5297124), wk = 0.0022321 k( 133) = ( 0.0800652 0.5026237 0.5297124), wk = 0.0022321 k( 134) = ( 0.0934094 0.5026237 0.5297124), wk = 0.0022321 k( 135) = ( 0.1067536 0.5026237 0.5297124), wk = 0.0022321 k( 136) = ( 0.1200978 0.5026237 0.5297124), wk = 0.0022321 k( 137) = ( 0.1334420 0.5026237 0.5297124), wk = 0.0022321 k( 138) = ( 0.1467862 0.5026237 0.5297124), wk = 0.0022321 k( 139) = ( 0.1601304 0.5026237 0.5297124), wk = 0.0022321 k( 140) = ( 0.1734746 0.5026237 0.5297124), wk = 0.0022321 k( 141) = ( 0.1868188 0.5026237 0.5297124), wk = 0.0022321 k( 142) = ( 0.2001630 0.5026237 0.5297124), wk = 0.0022321 k( 143) = ( 0.2135072 0.5026237 0.5297124), wk = 0.0022321 k( 144) = ( 0.2268514 0.5026237 0.5297124), wk = 0.0022321 k( 145) = ( 0.2401956 0.5026237 0.5297124), wk = 0.0022321 k( 146) = ( 0.2535398 0.5026237 0.5297124), wk = 0.0022321 k( 147) = ( 0.2668839 0.5026237 0.5297124), wk = 0.0022321 k( 148) = ( 0.2802282 0.5026237 0.5297124), wk = 0.0022321 k( 149) = ( 0.2935723 0.5026237 0.5297124), wk = 0.0022321 k( 150) = ( 0.3069166 0.5026237 0.5297124), wk = 0.0022321 k( 151) = ( 0.3202607 0.5026237 0.5297124), wk = 0.0022321 k( 152) = ( 0.3336049 0.5026237 0.5297124), wk = 0.0022321 k( 153) = ( 0.3469491 0.5026237 0.5297124), wk = 0.0022321 k( 154) = ( 0.3602933 0.5026237 0.5297124), wk = 0.0022321 k( 155) = ( 0.3736375 0.5026237 0.5297124), wk = 0.0022321 k( 156) = ( 0.3869817 0.5026237 0.5297124), wk = 0.0022321 k( 157) = ( 0.4003259 0.5026237 0.5297124), wk = 0.0022321 k( 158) = ( 0.4136701 0.5026237 0.5297124), wk = 0.0022321 k( 159) = ( 0.4270143 0.5026237 0.5297124), wk = 0.0022321 k( 160) = ( 0.4403585 0.5026237 0.5297124), wk = 0.0022321 k( 161) = ( 0.4537027 0.5026237 0.5297124), wk = 0.0022321 k( 162) = ( 0.4537027 0.5026237 0.5297124), wk = 0.0022321 k( 163) = ( 0.4446287 0.4925712 0.5297124), wk = 0.0022321 k( 164) = ( 0.4355546 0.4825188 0.5297124), wk = 0.0022321 k( 165) = ( 0.4264806 0.4724663 0.5297124), wk = 0.0022321 k( 166) = ( 0.4174065 0.4624138 0.5297124), wk = 0.0022321 k( 167) = ( 0.4083325 0.4523613 0.5297124), wk = 0.0022321 k( 168) = ( 0.3992584 0.4423089 0.5297124), wk = 0.0022321 k( 169) = ( 0.3901843 0.4322564 0.5297124), wk = 0.0022321 k( 170) = ( 0.3811103 0.4222039 0.5297124), wk = 0.0022321 k( 171) = ( 0.3720362 0.4121514 0.5297124), wk = 0.0022321 k( 172) = ( 0.3629622 0.4020990 0.5297124), wk = 0.0022321 k( 173) = ( 0.3538881 0.3920465 0.5297124), wk = 0.0022321 k( 174) = ( 0.3448141 0.3819940 0.5297124), wk = 0.0022321 k( 175) = ( 0.3357400 0.3719415 0.5297124), wk = 0.0022321 k( 176) = ( 0.3266660 0.3618891 0.5297124), wk = 0.0022321 k( 177) = ( 0.3175919 0.3518366 0.5297124), wk = 0.0022321 k( 178) = ( 0.3085178 0.3417841 0.5297124), wk = 0.0022321 k( 179) = ( 0.2994438 0.3317317 0.5297124), wk = 0.0022321 k( 180) = ( 0.2903697 0.3216792 0.5297124), wk = 0.0022321 k( 181) = ( 0.2812957 0.3116267 0.5297124), wk = 0.0022321 k( 182) = ( 0.2722216 0.3015742 0.5297124), wk = 0.0022321 k( 183) = ( 0.2631476 0.2915218 0.5297124), wk = 0.0022321 k( 184) = ( 0.2540735 0.2814693 0.5297124), wk = 0.0022321 k( 185) = ( 0.2449995 0.2714168 0.5297124), wk = 0.0022321 k( 186) = ( 0.2359254 0.2613643 0.5297124), wk = 0.0022321 k( 187) = ( 0.2268514 0.2513119 0.5297124), wk = 0.0022321 k( 188) = ( 0.2177773 0.2412594 0.5297124), wk = 0.0022321 k( 189) = ( 0.2087033 0.2312069 0.5297124), wk = 0.0022321 k( 190) = ( 0.1996292 0.2211544 0.5297124), wk = 0.0022321 k( 191) = ( 0.1905551 0.2111020 0.5297124), wk = 0.0022321 k( 192) = ( 0.1814811 0.2010495 0.5297124), wk = 0.0022321 k( 193) = ( 0.1724070 0.1909970 0.5297124), wk = 0.0022321 k( 194) = ( 0.1633330 0.1809445 0.5297124), wk = 0.0022321 k( 195) = ( 0.1542589 0.1708921 0.5297124), wk = 0.0022321 k( 196) = ( 0.1451849 0.1608396 0.5297124), wk = 0.0022321 k( 197) = ( 0.1361108 0.1507871 0.5297124), wk = 0.0022321 k( 198) = ( 0.1270368 0.1407346 0.5297124), wk = 0.0022321 k( 199) = ( 0.1179627 0.1306822 0.5297124), wk = 0.0022321 k( 200) = ( 0.1088887 0.1206297 0.5297124), wk = 0.0022321 k( 201) = ( 0.0998146 0.1105772 0.5297124), wk = 0.0022321 k( 202) = ( 0.0907405 0.1005247 0.5297124), wk = 0.0022321 k( 203) = ( 0.0816665 0.0904723 0.5297124), wk = 0.0022321 k( 204) = ( 0.0725924 0.0804198 0.5297124), wk = 0.0022321 k( 205) = ( 0.0635184 0.0703673 0.5297124), wk = 0.0022321 k( 206) = ( 0.0544443 0.0603148 0.5297124), wk = 0.0022321 k( 207) = ( 0.0453703 0.0502624 0.5297124), wk = 0.0022321 k( 208) = ( 0.0362962 0.0402099 0.5297124), wk = 0.0022321 k( 209) = ( 0.0272222 0.0301574 0.5297124), wk = 0.0022321 k( 210) = ( 0.0181481 0.0201049 0.5297124), wk = 0.0022321 k( 211) = ( 0.0090741 0.0100525 0.5297124), wk = 0.0022321 k( 212) = ( 0.0000000 0.0000000 0.5297124), wk = 0.0022321 k( 213) = ( 0.0000000 0.0000000 0.5297124), wk = 0.0022321 k( 214) = ( 0.0000000 0.0000000 0.5161300), wk = 0.0022321 k( 215) = ( 0.0000000 0.0000000 0.5025476), wk = 0.0022321 k( 216) = ( 0.0000000 0.0000000 0.4889653), wk = 0.0022321 k( 217) = ( 0.0000000 0.0000000 0.4753829), wk = 0.0022321 k( 218) = ( 0.0000000 0.0000000 0.4618005), wk = 0.0022321 k( 219) = ( 0.0000000 0.0000000 0.4482181), wk = 0.0022321 k( 220) = ( 0.0000000 0.0000000 0.4346358), wk = 0.0022321 k( 221) = ( 0.0000000 0.0000000 0.4210534), wk = 0.0022321 k( 222) = ( 0.0000000 0.0000000 0.4074710), wk = 0.0022321 k( 223) = ( 0.0000000 0.0000000 0.3938887), wk = 0.0022321 k( 224) = ( 0.0000000 0.0000000 0.3803063), wk = 0.0022321 k( 225) = ( 0.0000000 0.0000000 0.3667239), wk = 0.0022321 k( 226) = ( 0.0000000 0.0000000 0.3531416), wk = 0.0022321 k( 227) = ( 0.0000000 0.0000000 0.3395592), wk = 0.0022321 k( 228) = ( 0.0000000 0.0000000 0.3259768), wk = 0.0022321 k( 229) = ( 0.0000000 0.0000000 0.3123945), wk = 0.0022321 k( 230) = ( 0.0000000 0.0000000 0.2988121), wk = 0.0022321 k( 231) = ( 0.0000000 0.0000000 0.2852297), wk = 0.0022321 k( 232) = ( 0.0000000 0.0000000 0.2716474), wk = 0.0022321 k( 233) = ( 0.0000000 0.0000000 0.2580650), wk = 0.0022321 k( 234) = ( 0.0000000 0.0000000 0.2444826), wk = 0.0022321 k( 235) = ( 0.0000000 0.0000000 0.2309003), wk = 0.0022321 k( 236) = ( 0.0000000 0.0000000 0.2173179), wk = 0.0022321 k( 237) = ( 0.0000000 0.0000000 0.2037355), wk = 0.0022321 k( 238) = ( 0.0000000 0.0000000 0.1901532), wk = 0.0022321 k( 239) = ( 0.0000000 0.0000000 0.1765708), wk = 0.0022321 k( 240) = ( 0.0000000 0.0000000 0.1629884), wk = 0.0022321 k( 241) = ( 0.0000000 0.0000000 0.1494060), wk = 0.0022321 k( 242) = ( 0.0000000 0.0000000 0.1358237), wk = 0.0022321 k( 243) = ( 0.0000000 0.0000000 0.1222413), wk = 0.0022321 k( 244) = ( 0.0000000 0.0000000 0.1086589), wk = 0.0022321 k( 245) = ( 0.0000000 0.0000000 0.0950766), wk = 0.0022321 k( 246) = ( 0.0000000 0.0000000 0.0814942), wk = 0.0022321 k( 247) = ( 0.0000000 0.0000000 0.0679118), wk = 0.0022321 k( 248) = ( 0.0000000 0.0000000 0.0543295), wk = 0.0022321 k( 249) = ( 0.0000000 0.0000000 0.0407471), wk = 0.0022321 k( 250) = ( 0.0000000 0.0000000 0.0271647), wk = 0.0022321 k( 251) = ( 0.0000000 0.0000000 0.0135824), wk = 0.0022321 k( 252) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022321 k( 253) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022321 k( 254) = ( -0.0100000 0.0090267 0.0000000), wk = 0.0022321 k( 255) = ( -0.0200000 0.0180534 0.0000000), wk = 0.0022321 k( 256) = ( -0.0300000 0.0270801 -0.0000000), wk = 0.0022321 k( 257) = ( -0.0400000 0.0361068 0.0000000), wk = 0.0022321 k( 258) = ( -0.0500000 0.0451334 0.0000000), wk = 0.0022321 k( 259) = ( -0.0600000 0.0541601 -0.0000000), wk = 0.0022321 k( 260) = ( -0.0700000 0.0631868 0.0000000), wk = 0.0022321 k( 261) = ( -0.0800000 0.0722135 0.0000000), wk = 0.0022321 k( 262) = ( -0.0900000 0.0812402 -0.0000000), wk = 0.0022321 k( 263) = ( -0.1000000 0.0902669 0.0000000), wk = 0.0022321 k( 264) = ( -0.1100000 0.0992936 0.0000000), wk = 0.0022321 k( 265) = ( -0.1200000 0.1083203 -0.0000000), wk = 0.0022321 k( 266) = ( -0.1300000 0.1173469 0.0000000), wk = 0.0022321 k( 267) = ( -0.1400000 0.1263736 0.0000000), wk = 0.0022321 k( 268) = ( -0.1500000 0.1354003 -0.0000000), wk = 0.0022321 k( 269) = ( -0.1600000 0.1444270 0.0000000), wk = 0.0022321 k( 270) = ( -0.1700000 0.1534537 0.0000000), wk = 0.0022321 k( 271) = ( -0.1800000 0.1624804 -0.0000000), wk = 0.0022321 k( 272) = ( -0.1900000 0.1715071 0.0000000), wk = 0.0022321 k( 273) = ( -0.2000000 0.1805338 0.0000000), wk = 0.0022321 k( 274) = ( -0.2100000 0.1895604 -0.0000000), wk = 0.0022321 k( 275) = ( -0.2200000 0.1985871 0.0000000), wk = 0.0022321 k( 276) = ( -0.2300000 0.2076138 0.0000000), wk = 0.0022321 k( 277) = ( -0.2400000 0.2166405 -0.0000000), wk = 0.0022321 k( 278) = ( -0.2500000 0.2256672 0.0000000), wk = 0.0022321 k( 279) = ( -0.2600000 0.2346939 0.0000000), wk = 0.0022321 k( 280) = ( -0.2700000 0.2437206 0.0000000), wk = 0.0022321 k( 281) = ( -0.2800000 0.2527473 0.0000000), wk = 0.0022321 k( 282) = ( -0.2900000 0.2617739 -0.0000000), wk = 0.0022321 k( 283) = ( -0.3000000 0.2708006 -0.0000000), wk = 0.0022321 k( 284) = ( -0.3100000 0.2798273 -0.0000000), wk = 0.0022321 k( 285) = ( -0.3200000 0.2888540 0.0000000), wk = 0.0022321 k( 286) = ( -0.3300000 0.2978807 0.0000000), wk = 0.0022321 k( 287) = ( -0.3400000 0.3069074 0.0000000), wk = 0.0022321 k( 288) = ( -0.3500000 0.3159341 -0.0000000), wk = 0.0022321 k( 289) = ( -0.3600000 0.3249608 -0.0000000), wk = 0.0022321 k( 290) = ( -0.3700000 0.3339874 -0.0000000), wk = 0.0022321 k( 291) = ( -0.3800000 0.3430141 0.0000000), wk = 0.0022321 k( 292) = ( -0.3900000 0.3520408 0.0000000), wk = 0.0022321 k( 293) = ( -0.4000000 0.3610675 0.0000000), wk = 0.0022321 k( 294) = ( -0.4100000 0.3700942 -0.0000000), wk = 0.0022321 k( 295) = ( -0.4200000 0.3791209 -0.0000000), wk = 0.0022321 k( 296) = ( -0.4300000 0.3881476 -0.0000000), wk = 0.0022321 k( 297) = ( -0.4400000 0.3971743 0.0000000), wk = 0.0022321 k( 298) = ( -0.4500000 0.4062009 0.0000000), wk = 0.0022321 k( 299) = ( -0.4600000 0.4152276 0.0000000), wk = 0.0022321 k( 300) = ( -0.4700000 0.4242543 -0.0000000), wk = 0.0022321 k( 301) = ( -0.4800000 0.4332810 -0.0000000), wk = 0.0022321 k( 302) = ( -0.4900000 0.4423077 -0.0000000), wk = 0.0022321 k( 303) = ( -0.5000000 0.4513344 0.0000000), wk = 0.0022321 k( 304) = ( -0.5000000 0.4513344 0.0000000), wk = 0.0022321 k( 305) = ( -0.4922838 0.4598826 -0.0000000), wk = 0.0022321 k( 306) = ( -0.4845676 0.4684308 -0.0000000), wk = 0.0022321 k( 307) = ( -0.4768514 0.4769790 -0.0000000), wk = 0.0022321 k( 308) = ( -0.4691352 0.4855273 -0.0000000), wk = 0.0022321 k( 309) = ( -0.4614189 0.4940755 -0.0000000), wk = 0.0022321 k( 310) = ( -0.4537027 0.5026237 -0.0000000), wk = 0.0022321 k( 311) = ( -0.4537027 0.5026237 -0.0000000), wk = 0.0022321 k( 312) = ( -0.4537027 0.5026237 0.0135824), wk = 0.0022321 k( 313) = ( -0.4537027 0.5026237 0.0271647), wk = 0.0022321 k( 314) = ( -0.4537027 0.5026237 0.0407471), wk = 0.0022321 k( 315) = ( -0.4537027 0.5026237 0.0543295), wk = 0.0022321 k( 316) = ( -0.4537027 0.5026237 0.0679118), wk = 0.0022321 k( 317) = ( -0.4537027 0.5026237 0.0814942), wk = 0.0022321 k( 318) = ( -0.4537027 0.5026237 0.0950766), wk = 0.0022321 k( 319) = ( -0.4537027 0.5026237 0.1086589), wk = 0.0022321 k( 320) = ( -0.4537027 0.5026237 0.1222413), wk = 0.0022321 k( 321) = ( -0.4537027 0.5026237 0.1358237), wk = 0.0022321 k( 322) = ( -0.4537027 0.5026237 0.1494060), wk = 0.0022321 k( 323) = ( -0.4537027 0.5026237 0.1629884), wk = 0.0022321 k( 324) = ( -0.4537027 0.5026237 0.1765708), wk = 0.0022321 k( 325) = ( -0.4537027 0.5026237 0.1901532), wk = 0.0022321 k( 326) = ( -0.4537027 0.5026237 0.2037355), wk = 0.0022321 k( 327) = ( -0.4537027 0.5026237 0.2173179), wk = 0.0022321 k( 328) = ( -0.4537027 0.5026237 0.2309003), wk = 0.0022321 k( 329) = ( -0.4537027 0.5026237 0.2444826), wk = 0.0022321 k( 330) = ( -0.4537027 0.5026237 0.2580650), wk = 0.0022321 k( 331) = ( -0.4537027 0.5026237 0.2716474), wk = 0.0022321 k( 332) = ( -0.4537027 0.5026237 0.2852297), wk = 0.0022321 k( 333) = ( -0.4537027 0.5026237 0.2988121), wk = 0.0022321 k( 334) = ( -0.4537027 0.5026237 0.3123945), wk = 0.0022321 k( 335) = ( -0.4537027 0.5026237 0.3259768), wk = 0.0022321 k( 336) = ( -0.4537027 0.5026237 0.3395592), wk = 0.0022321 k( 337) = ( -0.4537027 0.5026237 0.3531416), wk = 0.0022321 k( 338) = ( -0.4537027 0.5026237 0.3667239), wk = 0.0022321 k( 339) = ( -0.4537027 0.5026237 0.3803063), wk = 0.0022321 k( 340) = ( -0.4537027 0.5026237 0.3938887), wk = 0.0022321 k( 341) = ( -0.4537027 0.5026237 0.4074710), wk = 0.0022321 k( 342) = ( -0.4537027 0.5026237 0.4210534), wk = 0.0022321 k( 343) = ( -0.4537027 0.5026237 0.4346358), wk = 0.0022321 k( 344) = ( -0.4537027 0.5026237 0.4482181), wk = 0.0022321 k( 345) = ( -0.4537027 0.5026237 0.4618005), wk = 0.0022321 k( 346) = ( -0.4537027 0.5026237 0.4753829), wk = 0.0022321 k( 347) = ( -0.4537027 0.5026237 0.4889653), wk = 0.0022321 k( 348) = ( -0.4537027 0.5026237 0.5025476), wk = 0.0022321 k( 349) = ( -0.4537027 0.5026237 0.5161300), wk = 0.0022321 k( 350) = ( -0.4537027 0.5026237 0.5297124), wk = 0.0022321 k( 351) = ( -0.4537027 0.5026237 0.5297124), wk = 0.0022321 k( 352) = ( -0.4614189 0.4940755 0.5297124), wk = 0.0022321 k( 353) = ( -0.4691352 0.4855273 0.5297124), wk = 0.0022321 k( 354) = ( -0.4768514 0.4769790 0.5297124), wk = 0.0022321 k( 355) = ( -0.4845676 0.4684308 0.5297124), wk = 0.0022321 k( 356) = ( -0.4922838 0.4598826 0.5297124), wk = 0.0022321 k( 357) = ( -0.5000000 0.4513344 0.5297124), wk = 0.0022321 k( 358) = ( -0.5000000 0.4513344 0.5297124), wk = 0.0022321 k( 359) = ( -0.5000000 0.4513344 0.5161300), wk = 0.0022321 k( 360) = ( -0.5000000 0.4513344 0.5025476), wk = 0.0022321 k( 361) = ( -0.5000000 0.4513344 0.4889653), wk = 0.0022321 k( 362) = ( -0.5000000 0.4513344 0.4753829), wk = 0.0022321 k( 363) = ( -0.5000000 0.4513344 0.4618005), wk = 0.0022321 k( 364) = ( -0.5000000 0.4513344 0.4482181), wk = 0.0022321 k( 365) = ( -0.5000000 0.4513344 0.4346358), wk = 0.0022321 k( 366) = ( -0.5000000 0.4513344 0.4210534), wk = 0.0022321 k( 367) = ( -0.5000000 0.4513344 0.4074710), wk = 0.0022321 k( 368) = ( -0.5000000 0.4513344 0.3938887), wk = 0.0022321 k( 369) = ( -0.5000000 0.4513344 0.3803063), wk = 0.0022321 k( 370) = ( -0.5000000 0.4513344 0.3667239), wk = 0.0022321 k( 371) = ( -0.5000000 0.4513344 0.3531416), wk = 0.0022321 k( 372) = ( -0.5000000 0.4513344 0.3395592), wk = 0.0022321 k( 373) = ( -0.5000000 0.4513344 0.3259768), wk = 0.0022321 k( 374) = ( -0.5000000 0.4513344 0.3123945), wk = 0.0022321 k( 375) = ( -0.5000000 0.4513344 0.2988121), wk = 0.0022321 k( 376) = ( -0.5000000 0.4513344 0.2852297), wk = 0.0022321 k( 377) = ( -0.5000000 0.4513344 0.2716474), wk = 0.0022321 k( 378) = ( -0.5000000 0.4513344 0.2580650), wk = 0.0022321 k( 379) = ( -0.5000000 0.4513344 0.2444826), wk = 0.0022321 k( 380) = ( -0.5000000 0.4513344 0.2309003), wk = 0.0022321 k( 381) = ( -0.5000000 0.4513344 0.2173179), wk = 0.0022321 k( 382) = ( -0.5000000 0.4513344 0.2037355), wk = 0.0022321 k( 383) = ( -0.5000000 0.4513344 0.1901532), wk = 0.0022321 k( 384) = ( -0.5000000 0.4513344 0.1765708), wk = 0.0022321 k( 385) = ( -0.5000000 0.4513344 0.1629884), wk = 0.0022321 k( 386) = ( -0.5000000 0.4513344 0.1494060), wk = 0.0022321 k( 387) = ( -0.5000000 0.4513344 0.1358237), wk = 0.0022321 k( 388) = ( -0.5000000 0.4513344 0.1222413), wk = 0.0022321 k( 389) = ( -0.5000000 0.4513344 0.1086589), wk = 0.0022321 k( 390) = ( -0.5000000 0.4513344 0.0950766), wk = 0.0022321 k( 391) = ( -0.5000000 0.4513344 0.0814942), wk = 0.0022321 k( 392) = ( -0.5000000 0.4513344 0.0679118), wk = 0.0022321 k( 393) = ( -0.5000000 0.4513344 0.0543295), wk = 0.0022321 k( 394) = ( -0.5000000 0.4513344 0.0407471), wk = 0.0022321 k( 395) = ( -0.5000000 0.4513344 0.0271647), wk = 0.0022321 k( 396) = ( -0.5000000 0.4513344 0.0135824), wk = 0.0022321 k( 397) = ( -0.5000000 0.4513344 0.0000000), wk = 0.0022321 k( 398) = ( 0.0000000 0.0000000 0.5297124), wk = 0.0022321 k( 399) = ( -0.0100000 0.0090267 0.5297124), wk = 0.0022321 k( 400) = ( -0.0200000 0.0180534 0.5297124), wk = 0.0022321 k( 401) = ( -0.0300000 0.0270801 0.5297124), wk = 0.0022321 k( 402) = ( -0.0400000 0.0361068 0.5297124), wk = 0.0022321 k( 403) = ( -0.0500000 0.0451334 0.5297124), wk = 0.0022321 k( 404) = ( -0.0600000 0.0541601 0.5297124), wk = 0.0022321 k( 405) = ( -0.0700000 0.0631868 0.5297124), wk = 0.0022321 k( 406) = ( -0.0800000 0.0722135 0.5297124), wk = 0.0022321 k( 407) = ( -0.0900000 0.0812402 0.5297124), wk = 0.0022321 k( 408) = ( -0.1000000 0.0902669 0.5297124), wk = 0.0022321 k( 409) = ( -0.1100000 0.0992936 0.5297124), wk = 0.0022321 k( 410) = ( -0.1200000 0.1083203 0.5297124), wk = 0.0022321 k( 411) = ( -0.1300000 0.1173469 0.5297124), wk = 0.0022321 k( 412) = ( -0.1400000 0.1263736 0.5297124), wk = 0.0022321 k( 413) = ( -0.1500000 0.1354003 0.5297124), wk = 0.0022321 k( 414) = ( -0.1600000 0.1444270 0.5297124), wk = 0.0022321 k( 415) = ( -0.1700000 0.1534537 0.5297124), wk = 0.0022321 k( 416) = ( -0.1800000 0.1624804 0.5297124), wk = 0.0022321 k( 417) = ( -0.1900000 0.1715071 0.5297124), wk = 0.0022321 k( 418) = ( -0.2000000 0.1805338 0.5297124), wk = 0.0022321 k( 419) = ( -0.2100000 0.1895604 0.5297124), wk = 0.0022321 k( 420) = ( -0.2200000 0.1985871 0.5297124), wk = 0.0022321 k( 421) = ( -0.2300000 0.2076138 0.5297124), wk = 0.0022321 k( 422) = ( -0.2400000 0.2166405 0.5297124), wk = 0.0022321 k( 423) = ( -0.2500000 0.2256672 0.5297124), wk = 0.0022321 k( 424) = ( -0.2600000 0.2346939 0.5297124), wk = 0.0022321 k( 425) = ( -0.2700000 0.2437206 0.5297124), wk = 0.0022321 k( 426) = ( -0.2800000 0.2527473 0.5297124), wk = 0.0022321 k( 427) = ( -0.2900000 0.2617739 0.5297124), wk = 0.0022321 k( 428) = ( -0.3000000 0.2708006 0.5297124), wk = 0.0022321 k( 429) = ( -0.3100000 0.2798273 0.5297124), wk = 0.0022321 k( 430) = ( -0.3200000 0.2888540 0.5297124), wk = 0.0022321 k( 431) = ( -0.3300000 0.2978807 0.5297124), wk = 0.0022321 k( 432) = ( -0.3400000 0.3069074 0.5297124), wk = 0.0022321 k( 433) = ( -0.3500000 0.3159341 0.5297124), wk = 0.0022321 k( 434) = ( -0.3600000 0.3249608 0.5297124), wk = 0.0022321 k( 435) = ( -0.3700000 0.3339874 0.5297124), wk = 0.0022321 k( 436) = ( -0.3800000 0.3430141 0.5297124), wk = 0.0022321 k( 437) = ( -0.3900000 0.3520408 0.5297124), wk = 0.0022321 k( 438) = ( -0.4000000 0.3610675 0.5297124), wk = 0.0022321 k( 439) = ( -0.4100000 0.3700942 0.5297124), wk = 0.0022321 k( 440) = ( -0.4200000 0.3791209 0.5297124), wk = 0.0022321 k( 441) = ( -0.4300000 0.3881476 0.5297124), wk = 0.0022321 k( 442) = ( -0.4400000 0.3971743 0.5297124), wk = 0.0022321 k( 443) = ( -0.4500000 0.4062009 0.5297124), wk = 0.0022321 k( 444) = ( -0.4600000 0.4152276 0.5297124), wk = 0.0022321 k( 445) = ( -0.4700000 0.4242543 0.5297124), wk = 0.0022321 k( 446) = ( -0.4800000 0.4332810 0.5297124), wk = 0.0022321 k( 447) = ( -0.4900000 0.4423077 0.5297124), wk = 0.0022321 k( 448) = ( -0.5000000 0.4513344 0.5297124), wk = 0.0022321 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022321 k( 2) = ( 0.0090741 0.0090741 -0.0000000), wk = 0.0022321 k( 3) = ( 0.0181481 0.0181481 0.0000000), wk = 0.0022321 k( 4) = ( 0.0272222 0.0272222 -0.0000000), wk = 0.0022321 k( 5) = ( 0.0362962 0.0362962 0.0000000), wk = 0.0022321 k( 6) = ( 0.0453703 0.0453703 -0.0000000), wk = 0.0022321 k( 7) = ( 0.0544443 0.0544443 -0.0000000), wk = 0.0022321 k( 8) = ( 0.0635184 0.0635184 -0.0000000), wk = 0.0022321 k( 9) = ( 0.0725924 0.0725924 0.0000000), wk = 0.0022321 k( 10) = ( 0.0816665 0.0816665 -0.0000000), wk = 0.0022321 k( 11) = ( 0.0907405 0.0907405 -0.0000000), wk = 0.0022321 k( 12) = ( 0.0998146 0.0998146 -0.0000000), wk = 0.0022321 k( 13) = ( 0.1088887 0.1088887 -0.0000000), wk = 0.0022321 k( 14) = ( 0.1179627 0.1179627 -0.0000000), wk = 0.0022321 k( 15) = ( 0.1270368 0.1270368 -0.0000000), wk = 0.0022321 k( 16) = ( 0.1361108 0.1361108 -0.0000000), wk = 0.0022321 k( 17) = ( 0.1451849 0.1451849 -0.0000000), wk = 0.0022321 k( 18) = ( 0.1542589 0.1542589 0.0000000), wk = 0.0022321 k( 19) = ( 0.1633330 0.1633330 -0.0000000), wk = 0.0022321 k( 20) = ( 0.1724070 0.1724070 -0.0000000), wk = 0.0022321 k( 21) = ( 0.1814811 0.1814811 -0.0000000), wk = 0.0022321 k( 22) = ( 0.1905551 0.1905551 0.0000000), wk = 0.0022321 k( 23) = ( 0.1996292 0.1996292 -0.0000000), wk = 0.0022321 k( 24) = ( 0.2087033 0.2087033 -0.0000000), wk = 0.0022321 k( 25) = ( 0.2177773 0.2177773 -0.0000000), wk = 0.0022321 k( 26) = ( 0.2268514 0.2268514 -0.0000000), wk = 0.0022321 k( 27) = ( 0.2359254 0.2359254 -0.0000000), wk = 0.0022321 k( 28) = ( 0.2449995 0.2449995 -0.0000000), wk = 0.0022321 k( 29) = ( 0.2540735 0.2540735 -0.0000000), wk = 0.0022321 k( 30) = ( 0.2631476 0.2631476 -0.0000000), wk = 0.0022321 k( 31) = ( 0.2722216 0.2722216 -0.0000000), wk = 0.0022321 k( 32) = ( 0.2812957 0.2812957 -0.0000000), wk = 0.0022321 k( 33) = ( 0.2903697 0.2903697 -0.0000000), wk = 0.0022321 k( 34) = ( 0.2994438 0.2994438 -0.0000000), wk = 0.0022321 k( 35) = ( 0.3085178 0.3085178 -0.0000000), wk = 0.0022321 k( 36) = ( 0.3175919 0.3175919 0.0000000), wk = 0.0022321 k( 37) = ( 0.3266660 0.3266660 -0.0000000), wk = 0.0022321 k( 38) = ( 0.3357400 0.3357400 -0.0000000), wk = 0.0022321 k( 39) = ( 0.3448141 0.3448141 -0.0000000), wk = 0.0022321 k( 40) = ( 0.3538881 0.3538881 -0.0000000), wk = 0.0022321 k( 41) = ( 0.3629622 0.3629622 -0.0000000), wk = 0.0022321 k( 42) = ( 0.3720362 0.3720362 -0.0000000), wk = 0.0022321 k( 43) = ( 0.3811103 0.3811103 -0.0000000), wk = 0.0022321 k( 44) = ( 0.3901843 0.3901843 0.0000000), wk = 0.0022321 k( 45) = ( 0.3992584 0.3992584 -0.0000000), wk = 0.0022321 k( 46) = ( 0.4083325 0.4083325 -0.0000000), wk = 0.0022321 k( 47) = ( 0.4174065 0.4174065 -0.0000000), wk = 0.0022321 k( 48) = ( 0.4264806 0.4264806 -0.0000000), wk = 0.0022321 k( 49) = ( 0.4355546 0.4355546 -0.0000000), wk = 0.0022321 k( 50) = ( 0.4446287 0.4446287 -0.0000000), wk = 0.0022321 k( 51) = ( 0.4537027 0.4537027 -0.0000000), wk = 0.0022321 k( 52) = ( 0.4537027 0.4537027 -0.0000000), wk = 0.0022321 k( 53) = ( 0.4403585 0.4550644 -0.0000000), wk = 0.0022321 k( 54) = ( 0.4270143 0.4564261 -0.0000000), wk = 0.0022321 k( 55) = ( 0.4136701 0.4577878 0.0000000), wk = 0.0022321 k( 56) = ( 0.4003259 0.4591495 0.0000000), wk = 0.0022321 k( 57) = ( 0.3869817 0.4605111 0.0000000), wk = 0.0022321 k( 58) = ( 0.3736375 0.4618728 -0.0000000), wk = 0.0022321 k( 59) = ( 0.3602933 0.4632345 -0.0000000), wk = 0.0022321 k( 60) = ( 0.3469491 0.4645962 0.0000000), wk = 0.0022321 k( 61) = ( 0.3336049 0.4659579 -0.0000000), wk = 0.0022321 k( 62) = ( 0.3202607 0.4673196 0.0000000), wk = 0.0022321 k( 63) = ( 0.3069166 0.4686812 -0.0000000), wk = 0.0022321 k( 64) = ( 0.2935723 0.4700429 -0.0000000), wk = 0.0022321 k( 65) = ( 0.2802282 0.4714046 0.0000000), wk = 0.0022321 k( 66) = ( 0.2668839 0.4727663 -0.0000000), wk = 0.0022321 k( 67) = ( 0.2535398 0.4741280 -0.0000000), wk = 0.0022321 k( 68) = ( 0.2401956 0.4754897 -0.0000000), wk = 0.0022321 k( 69) = ( 0.2268514 0.4768514 -0.0000000), wk = 0.0022321 k( 70) = ( 0.2135072 0.4782130 -0.0000000), wk = 0.0022321 k( 71) = ( 0.2001630 0.4795747 -0.0000000), wk = 0.0022321 k( 72) = ( 0.1868188 0.4809364 -0.0000000), wk = 0.0022321 k( 73) = ( 0.1734746 0.4822981 -0.0000000), wk = 0.0022321 k( 74) = ( 0.1601304 0.4836598 0.0000000), wk = 0.0022321 k( 75) = ( 0.1467862 0.4850215 -0.0000000), wk = 0.0022321 k( 76) = ( 0.1334420 0.4863832 0.0000000), wk = 0.0022321 k( 77) = ( 0.1200978 0.4877448 -0.0000000), wk = 0.0022321 k( 78) = ( 0.1067536 0.4891065 0.0000000), wk = 0.0022321 k( 79) = ( 0.0934094 0.4904682 -0.0000000), wk = 0.0022321 k( 80) = ( 0.0800652 0.4918299 0.0000000), wk = 0.0022321 k( 81) = ( 0.0667210 0.4931916 -0.0000000), wk = 0.0022321 k( 82) = ( 0.0533768 0.4945533 -0.0000000), wk = 0.0022321 k( 83) = ( 0.0400326 0.4959150 -0.0000000), wk = 0.0022321 k( 84) = ( 0.0266884 0.4972766 -0.0000000), wk = 0.0022321 k( 85) = ( 0.0133442 0.4986383 -0.0000000), wk = 0.0022321 k( 86) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0022321 k( 87) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0022321 k( 88) = ( 0.0000000 0.5000000 0.0128205), wk = 0.0022321 k( 89) = ( 0.0000000 0.5000000 0.0256410), wk = 0.0022321 k( 90) = ( 0.0000000 0.5000000 0.0384615), wk = 0.0022321 k( 91) = ( 0.0000000 0.5000000 0.0512821), wk = 0.0022321 k( 92) = ( 0.0000000 0.5000000 0.0641026), wk = 0.0022321 k( 93) = ( 0.0000000 0.5000000 0.0769231), wk = 0.0022321 k( 94) = ( 0.0000000 0.5000000 0.0897436), wk = 0.0022321 k( 95) = ( 0.0000000 0.5000000 0.1025641), wk = 0.0022321 k( 96) = ( 0.0000000 0.5000000 0.1153846), wk = 0.0022321 k( 97) = ( 0.0000000 0.5000000 0.1282051), wk = 0.0022321 k( 98) = ( 0.0000000 0.5000000 0.1410256), wk = 0.0022321 k( 99) = ( 0.0000000 0.5000000 0.1538461), wk = 0.0022321 k( 100) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0022321 k( 101) = ( 0.0000000 0.5000000 0.1794872), wk = 0.0022321 k( 102) = ( 0.0000000 0.5000000 0.1923077), wk = 0.0022321 k( 103) = ( 0.0000000 0.5000000 0.2051282), wk = 0.0022321 k( 104) = ( 0.0000000 0.5000000 0.2179487), wk = 0.0022321 k( 105) = ( 0.0000000 0.5000000 0.2307692), wk = 0.0022321 k( 106) = ( 0.0000000 0.5000000 0.2435897), wk = 0.0022321 k( 107) = ( 0.0000000 0.5000000 0.2564103), wk = 0.0022321 k( 108) = ( 0.0000000 0.5000000 0.2692308), wk = 0.0022321 k( 109) = ( 0.0000000 0.5000000 0.2820513), wk = 0.0022321 k( 110) = ( 0.0000000 0.5000000 0.2948718), wk = 0.0022321 k( 111) = ( 0.0000000 0.5000000 0.3076923), wk = 0.0022321 k( 112) = ( 0.0000000 0.5000000 0.3205128), wk = 0.0022321 k( 113) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0022321 k( 114) = ( 0.0000000 0.5000000 0.3461538), wk = 0.0022321 k( 115) = ( 0.0000000 0.5000000 0.3589744), wk = 0.0022321 k( 116) = ( 0.0000000 0.5000000 0.3717949), wk = 0.0022321 k( 117) = ( 0.0000000 0.5000000 0.3846154), wk = 0.0022321 k( 118) = ( 0.0000000 0.5000000 0.3974359), wk = 0.0022321 k( 119) = ( 0.0000000 0.5000000 0.4102564), wk = 0.0022321 k( 120) = ( 0.0000000 0.5000000 0.4230769), wk = 0.0022321 k( 121) = ( 0.0000000 0.5000000 0.4358974), wk = 0.0022321 k( 122) = ( 0.0000000 0.5000000 0.4487179), wk = 0.0022321 k( 123) = ( 0.0000000 0.5000000 0.4615385), wk = 0.0022321 k( 124) = ( 0.0000000 0.5000000 0.4743590), wk = 0.0022321 k( 125) = ( 0.0000000 0.5000000 0.4871795), wk = 0.0022321 k( 126) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022321 k( 127) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022321 k( 128) = ( 0.0133442 0.4986383 0.5000000), wk = 0.0022321 k( 129) = ( 0.0266884 0.4972766 0.5000000), wk = 0.0022321 k( 130) = ( 0.0400326 0.4959150 0.5000000), wk = 0.0022321 k( 131) = ( 0.0533768 0.4945533 0.5000000), wk = 0.0022321 k( 132) = ( 0.0667210 0.4931916 0.5000000), wk = 0.0022321 k( 133) = ( 0.0800652 0.4918299 0.5000000), wk = 0.0022321 k( 134) = ( 0.0934094 0.4904682 0.5000000), wk = 0.0022321 k( 135) = ( 0.1067536 0.4891065 0.5000000), wk = 0.0022321 k( 136) = ( 0.1200978 0.4877448 0.5000000), wk = 0.0022321 k( 137) = ( 0.1334420 0.4863832 0.5000000), wk = 0.0022321 k( 138) = ( 0.1467862 0.4850215 0.5000000), wk = 0.0022321 k( 139) = ( 0.1601304 0.4836598 0.5000000), wk = 0.0022321 k( 140) = ( 0.1734746 0.4822981 0.5000000), wk = 0.0022321 k( 141) = ( 0.1868188 0.4809364 0.5000000), wk = 0.0022321 k( 142) = ( 0.2001630 0.4795747 0.5000000), wk = 0.0022321 k( 143) = ( 0.2135072 0.4782130 0.5000000), wk = 0.0022321 k( 144) = ( 0.2268514 0.4768514 0.5000000), wk = 0.0022321 k( 145) = ( 0.2401956 0.4754897 0.5000000), wk = 0.0022321 k( 146) = ( 0.2535398 0.4741280 0.5000000), wk = 0.0022321 k( 147) = ( 0.2668839 0.4727663 0.5000000), wk = 0.0022321 k( 148) = ( 0.2802282 0.4714046 0.5000000), wk = 0.0022321 k( 149) = ( 0.2935723 0.4700429 0.5000000), wk = 0.0022321 k( 150) = ( 0.3069166 0.4686812 0.5000000), wk = 0.0022321 k( 151) = ( 0.3202607 0.4673196 0.5000000), wk = 0.0022321 k( 152) = ( 0.3336049 0.4659579 0.5000000), wk = 0.0022321 k( 153) = ( 0.3469491 0.4645962 0.5000000), wk = 0.0022321 k( 154) = ( 0.3602933 0.4632345 0.5000000), wk = 0.0022321 k( 155) = ( 0.3736375 0.4618728 0.5000000), wk = 0.0022321 k( 156) = ( 0.3869817 0.4605111 0.5000000), wk = 0.0022321 k( 157) = ( 0.4003259 0.4591495 0.5000000), wk = 0.0022321 k( 158) = ( 0.4136701 0.4577878 0.5000000), wk = 0.0022321 k( 159) = ( 0.4270143 0.4564261 0.5000000), wk = 0.0022321 k( 160) = ( 0.4403585 0.4550644 0.5000000), wk = 0.0022321 k( 161) = ( 0.4537027 0.4537027 0.5000000), wk = 0.0022321 k( 162) = ( 0.4537027 0.4537027 0.5000000), wk = 0.0022321 k( 163) = ( 0.4446287 0.4446287 0.5000000), wk = 0.0022321 k( 164) = ( 0.4355546 0.4355546 0.5000000), wk = 0.0022321 k( 165) = ( 0.4264806 0.4264806 0.5000000), wk = 0.0022321 k( 166) = ( 0.4174065 0.4174065 0.5000000), wk = 0.0022321 k( 167) = ( 0.4083325 0.4083325 0.5000000), wk = 0.0022321 k( 168) = ( 0.3992584 0.3992584 0.5000000), wk = 0.0022321 k( 169) = ( 0.3901843 0.3901843 0.5000000), wk = 0.0022321 k( 170) = ( 0.3811103 0.3811103 0.5000000), wk = 0.0022321 k( 171) = ( 0.3720362 0.3720362 0.5000000), wk = 0.0022321 k( 172) = ( 0.3629622 0.3629622 0.5000000), wk = 0.0022321 k( 173) = ( 0.3538881 0.3538881 0.5000000), wk = 0.0022321 k( 174) = ( 0.3448141 0.3448141 0.5000000), wk = 0.0022321 k( 175) = ( 0.3357400 0.3357400 0.5000000), wk = 0.0022321 k( 176) = ( 0.3266660 0.3266660 0.5000000), wk = 0.0022321 k( 177) = ( 0.3175919 0.3175919 0.5000000), wk = 0.0022321 k( 178) = ( 0.3085178 0.3085178 0.5000000), wk = 0.0022321 k( 179) = ( 0.2994438 0.2994438 0.5000000), wk = 0.0022321 k( 180) = ( 0.2903697 0.2903697 0.5000000), wk = 0.0022321 k( 181) = ( 0.2812957 0.2812957 0.5000000), wk = 0.0022321 k( 182) = ( 0.2722216 0.2722216 0.5000000), wk = 0.0022321 k( 183) = ( 0.2631476 0.2631476 0.5000000), wk = 0.0022321 k( 184) = ( 0.2540735 0.2540735 0.5000000), wk = 0.0022321 k( 185) = ( 0.2449995 0.2449995 0.5000000), wk = 0.0022321 k( 186) = ( 0.2359254 0.2359254 0.5000000), wk = 0.0022321 k( 187) = ( 0.2268514 0.2268514 0.5000000), wk = 0.0022321 k( 188) = ( 0.2177773 0.2177773 0.5000000), wk = 0.0022321 k( 189) = ( 0.2087033 0.2087033 0.5000000), wk = 0.0022321 k( 190) = ( 0.1996292 0.1996292 0.5000000), wk = 0.0022321 k( 191) = ( 0.1905551 0.1905551 0.5000000), wk = 0.0022321 k( 192) = ( 0.1814811 0.1814811 0.5000000), wk = 0.0022321 k( 193) = ( 0.1724070 0.1724070 0.5000000), wk = 0.0022321 k( 194) = ( 0.1633330 0.1633330 0.5000000), wk = 0.0022321 k( 195) = ( 0.1542589 0.1542589 0.5000000), wk = 0.0022321 k( 196) = ( 0.1451849 0.1451849 0.5000000), wk = 0.0022321 k( 197) = ( 0.1361108 0.1361108 0.5000000), wk = 0.0022321 k( 198) = ( 0.1270368 0.1270368 0.5000000), wk = 0.0022321 k( 199) = ( 0.1179627 0.1179627 0.5000000), wk = 0.0022321 k( 200) = ( 0.1088887 0.1088887 0.5000000), wk = 0.0022321 k( 201) = ( 0.0998146 0.0998146 0.5000000), wk = 0.0022321 k( 202) = ( 0.0907405 0.0907405 0.5000000), wk = 0.0022321 k( 203) = ( 0.0816665 0.0816665 0.5000000), wk = 0.0022321 k( 204) = ( 0.0725924 0.0725924 0.5000000), wk = 0.0022321 k( 205) = ( 0.0635184 0.0635184 0.5000000), wk = 0.0022321 k( 206) = ( 0.0544443 0.0544443 0.5000000), wk = 0.0022321 k( 207) = ( 0.0453703 0.0453703 0.5000000), wk = 0.0022321 k( 208) = ( 0.0362962 0.0362962 0.5000000), wk = 0.0022321 k( 209) = ( 0.0272222 0.0272222 0.5000000), wk = 0.0022321 k( 210) = ( 0.0181481 0.0181481 0.5000000), wk = 0.0022321 k( 211) = ( 0.0090741 0.0090741 0.5000000), wk = 0.0022321 k( 212) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022321 k( 213) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022321 k( 214) = ( 0.0000000 0.0000000 0.4871795), wk = 0.0022321 k( 215) = ( 0.0000000 0.0000000 0.4743590), wk = 0.0022321 k( 216) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0022321 k( 217) = ( 0.0000000 0.0000000 0.4487179), wk = 0.0022321 k( 218) = ( 0.0000000 0.0000000 0.4358974), wk = 0.0022321 k( 219) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0022321 k( 220) = ( 0.0000000 0.0000000 0.4102564), wk = 0.0022321 k( 221) = ( 0.0000000 0.0000000 0.3974359), wk = 0.0022321 k( 222) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0022321 k( 223) = ( 0.0000000 0.0000000 0.3717949), wk = 0.0022321 k( 224) = ( 0.0000000 0.0000000 0.3589744), wk = 0.0022321 k( 225) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0022321 k( 226) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0022321 k( 227) = ( 0.0000000 0.0000000 0.3205128), wk = 0.0022321 k( 228) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0022321 k( 229) = ( 0.0000000 0.0000000 0.2948718), wk = 0.0022321 k( 230) = ( 0.0000000 0.0000000 0.2820513), wk = 0.0022321 k( 231) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0022321 k( 232) = ( 0.0000000 0.0000000 0.2564103), wk = 0.0022321 k( 233) = ( 0.0000000 0.0000000 0.2435897), wk = 0.0022321 k( 234) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0022321 k( 235) = ( 0.0000000 0.0000000 0.2179487), wk = 0.0022321 k( 236) = ( 0.0000000 0.0000000 0.2051282), wk = 0.0022321 k( 237) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0022321 k( 238) = ( 0.0000000 0.0000000 0.1794872), wk = 0.0022321 k( 239) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0022321 k( 240) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0022321 k( 241) = ( 0.0000000 0.0000000 0.1410256), wk = 0.0022321 k( 242) = ( 0.0000000 0.0000000 0.1282051), wk = 0.0022321 k( 243) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0022321 k( 244) = ( 0.0000000 0.0000000 0.1025641), wk = 0.0022321 k( 245) = ( 0.0000000 0.0000000 0.0897436), wk = 0.0022321 k( 246) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0022321 k( 247) = ( 0.0000000 0.0000000 0.0641026), wk = 0.0022321 k( 248) = ( 0.0000000 0.0000000 0.0512821), wk = 0.0022321 k( 249) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0022321 k( 250) = ( 0.0000000 0.0000000 0.0256410), wk = 0.0022321 k( 251) = ( 0.0000000 0.0000000 0.0128205), wk = 0.0022321 k( 252) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022321 k( 253) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022321 k( 254) = ( -0.0100000 0.0100000 -0.0000000), wk = 0.0022321 k( 255) = ( -0.0200000 0.0200000 -0.0000000), wk = 0.0022321 k( 256) = ( -0.0300000 0.0300000 -0.0000000), wk = 0.0022321 k( 257) = ( -0.0400000 0.0400000 -0.0000000), wk = 0.0022321 k( 258) = ( -0.0500000 0.0500000 0.0000000), wk = 0.0022321 k( 259) = ( -0.0600000 0.0600000 -0.0000000), wk = 0.0022321 k( 260) = ( -0.0700000 0.0700000 0.0000000), wk = 0.0022321 k( 261) = ( -0.0800000 0.0800000 -0.0000000), wk = 0.0022321 k( 262) = ( -0.0900000 0.0900000 -0.0000000), wk = 0.0022321 k( 263) = ( -0.1000000 0.1000000 0.0000000), wk = 0.0022321 k( 264) = ( -0.1100000 0.1100000 -0.0000000), wk = 0.0022321 k( 265) = ( -0.1200000 0.1200000 -0.0000000), wk = 0.0022321 k( 266) = ( -0.1300000 0.1300000 0.0000000), wk = 0.0022321 k( 267) = ( -0.1400000 0.1400000 0.0000000), wk = 0.0022321 k( 268) = ( -0.1500000 0.1500000 0.0000000), wk = 0.0022321 k( 269) = ( -0.1600000 0.1600000 -0.0000000), wk = 0.0022321 k( 270) = ( -0.1700000 0.1700000 0.0000000), wk = 0.0022321 k( 271) = ( -0.1800000 0.1800000 -0.0000000), wk = 0.0022321 k( 272) = ( -0.1900000 0.1900000 0.0000000), wk = 0.0022321 k( 273) = ( -0.2000000 0.2000000 0.0000000), wk = 0.0022321 k( 274) = ( -0.2100000 0.2100000 -0.0000000), wk = 0.0022321 k( 275) = ( -0.2200000 0.2200000 -0.0000000), wk = 0.0022321 k( 276) = ( -0.2300000 0.2300000 0.0000000), wk = 0.0022321 k( 277) = ( -0.2400000 0.2400000 -0.0000000), wk = 0.0022321 k( 278) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0022321 k( 279) = ( -0.2600000 0.2600000 0.0000000), wk = 0.0022321 k( 280) = ( -0.2700000 0.2700000 0.0000000), wk = 0.0022321 k( 281) = ( -0.2800000 0.2800000 0.0000000), wk = 0.0022321 k( 282) = ( -0.2900000 0.2900000 -0.0000000), wk = 0.0022321 k( 283) = ( -0.3000000 0.3000000 0.0000000), wk = 0.0022321 k( 284) = ( -0.3100000 0.3100000 0.0000000), wk = 0.0022321 k( 285) = ( -0.3200000 0.3200000 -0.0000000), wk = 0.0022321 k( 286) = ( -0.3300000 0.3300000 -0.0000000), wk = 0.0022321 k( 287) = ( -0.3400000 0.3400000 0.0000000), wk = 0.0022321 k( 288) = ( -0.3500000 0.3500000 -0.0000000), wk = 0.0022321 k( 289) = ( -0.3600000 0.3600000 -0.0000000), wk = 0.0022321 k( 290) = ( -0.3700000 0.3700000 -0.0000000), wk = 0.0022321 k( 291) = ( -0.3800000 0.3800000 0.0000000), wk = 0.0022321 k( 292) = ( -0.3900000 0.3900000 -0.0000000), wk = 0.0022321 k( 293) = ( -0.4000000 0.4000000 0.0000000), wk = 0.0022321 k( 294) = ( -0.4100000 0.4100000 -0.0000000), wk = 0.0022321 k( 295) = ( -0.4200000 0.4200000 -0.0000000), wk = 0.0022321 k( 296) = ( -0.4300000 0.4300000 0.0000000), wk = 0.0022321 k( 297) = ( -0.4400000 0.4400000 -0.0000000), wk = 0.0022321 k( 298) = ( -0.4500000 0.4500000 -0.0000000), wk = 0.0022321 k( 299) = ( -0.4600000 0.4600000 0.0000000), wk = 0.0022321 k( 300) = ( -0.4700000 0.4700000 -0.0000000), wk = 0.0022321 k( 301) = ( -0.4800000 0.4800000 -0.0000000), wk = 0.0022321 k( 302) = ( -0.4900000 0.4900000 -0.0000000), wk = 0.0022321 k( 303) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0022321 k( 304) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0022321 k( 305) = ( -0.4922838 0.5077162 -0.0000000), wk = 0.0022321 k( 306) = ( -0.4845676 0.5154324 0.0000000), wk = 0.0022321 k( 307) = ( -0.4768514 0.5231486 -0.0000000), wk = 0.0022321 k( 308) = ( -0.4691352 0.5308649 0.0000000), wk = 0.0022321 k( 309) = ( -0.4614189 0.5385811 0.0000000), wk = 0.0022321 k( 310) = ( -0.4537027 0.5462973 0.0000000), wk = 0.0022321 k( 311) = ( -0.4537027 0.5462973 0.0000000), wk = 0.0022321 k( 312) = ( -0.4537027 0.5462973 0.0128205), wk = 0.0022321 k( 313) = ( -0.4537027 0.5462973 0.0256410), wk = 0.0022321 k( 314) = ( -0.4537027 0.5462973 0.0384615), wk = 0.0022321 k( 315) = ( -0.4537027 0.5462973 0.0512821), wk = 0.0022321 k( 316) = ( -0.4537027 0.5462973 0.0641026), wk = 0.0022321 k( 317) = ( -0.4537027 0.5462973 0.0769231), wk = 0.0022321 k( 318) = ( -0.4537027 0.5462973 0.0897436), wk = 0.0022321 k( 319) = ( -0.4537027 0.5462973 0.1025641), wk = 0.0022321 k( 320) = ( -0.4537027 0.5462973 0.1153846), wk = 0.0022321 k( 321) = ( -0.4537027 0.5462973 0.1282051), wk = 0.0022321 k( 322) = ( -0.4537027 0.5462973 0.1410256), wk = 0.0022321 k( 323) = ( -0.4537027 0.5462973 0.1538462), wk = 0.0022321 k( 324) = ( -0.4537027 0.5462973 0.1666667), wk = 0.0022321 k( 325) = ( -0.4537027 0.5462973 0.1794872), wk = 0.0022321 k( 326) = ( -0.4537027 0.5462973 0.1923077), wk = 0.0022321 k( 327) = ( -0.4537027 0.5462973 0.2051282), wk = 0.0022321 k( 328) = ( -0.4537027 0.5462973 0.2179487), wk = 0.0022321 k( 329) = ( -0.4537027 0.5462973 0.2307692), wk = 0.0022321 k( 330) = ( -0.4537027 0.5462973 0.2435897), wk = 0.0022321 k( 331) = ( -0.4537027 0.5462973 0.2564103), wk = 0.0022321 k( 332) = ( -0.4537027 0.5462973 0.2692308), wk = 0.0022321 k( 333) = ( -0.4537027 0.5462973 0.2820513), wk = 0.0022321 k( 334) = ( -0.4537027 0.5462973 0.2948718), wk = 0.0022321 k( 335) = ( -0.4537027 0.5462973 0.3076923), wk = 0.0022321 k( 336) = ( -0.4537027 0.5462973 0.3205128), wk = 0.0022321 k( 337) = ( -0.4537027 0.5462973 0.3333333), wk = 0.0022321 k( 338) = ( -0.4537027 0.5462973 0.3461538), wk = 0.0022321 k( 339) = ( -0.4537027 0.5462973 0.3589744), wk = 0.0022321 k( 340) = ( -0.4537027 0.5462973 0.3717949), wk = 0.0022321 k( 341) = ( -0.4537027 0.5462973 0.3846154), wk = 0.0022321 k( 342) = ( -0.4537027 0.5462973 0.3974359), wk = 0.0022321 k( 343) = ( -0.4537027 0.5462973 0.4102564), wk = 0.0022321 k( 344) = ( -0.4537027 0.5462973 0.4230769), wk = 0.0022321 k( 345) = ( -0.4537027 0.5462973 0.4358974), wk = 0.0022321 k( 346) = ( -0.4537027 0.5462973 0.4487179), wk = 0.0022321 k( 347) = ( -0.4537027 0.5462973 0.4615385), wk = 0.0022321 k( 348) = ( -0.4537027 0.5462973 0.4743590), wk = 0.0022321 k( 349) = ( -0.4537027 0.5462973 0.4871795), wk = 0.0022321 k( 350) = ( -0.4537027 0.5462973 0.5000000), wk = 0.0022321 k( 351) = ( -0.4537027 0.5462973 0.5000000), wk = 0.0022321 k( 352) = ( -0.4614189 0.5385811 0.5000000), wk = 0.0022321 k( 353) = ( -0.4691352 0.5308649 0.5000000), wk = 0.0022321 k( 354) = ( -0.4768514 0.5231486 0.5000000), wk = 0.0022321 k( 355) = ( -0.4845676 0.5154324 0.5000000), wk = 0.0022321 k( 356) = ( -0.4922838 0.5077162 0.5000000), wk = 0.0022321 k( 357) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0022321 k( 358) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0022321 k( 359) = ( -0.5000000 0.5000000 0.4871795), wk = 0.0022321 k( 360) = ( -0.5000000 0.5000000 0.4743590), wk = 0.0022321 k( 361) = ( -0.5000000 0.5000000 0.4615385), wk = 0.0022321 k( 362) = ( -0.5000000 0.5000000 0.4487179), wk = 0.0022321 k( 363) = ( -0.5000000 0.5000000 0.4358974), wk = 0.0022321 k( 364) = ( -0.5000000 0.5000000 0.4230769), wk = 0.0022321 k( 365) = ( -0.5000000 0.5000000 0.4102564), wk = 0.0022321 k( 366) = ( -0.5000000 0.5000000 0.3974359), wk = 0.0022321 k( 367) = ( -0.5000000 0.5000000 0.3846154), wk = 0.0022321 k( 368) = ( -0.5000000 0.5000000 0.3717949), wk = 0.0022321 k( 369) = ( -0.5000000 0.5000000 0.3589744), wk = 0.0022321 k( 370) = ( -0.5000000 0.5000000 0.3461538), wk = 0.0022321 k( 371) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0022321 k( 372) = ( -0.5000000 0.5000000 0.3205128), wk = 0.0022321 k( 373) = ( -0.5000000 0.5000000 0.3076923), wk = 0.0022321 k( 374) = ( -0.5000000 0.5000000 0.2948718), wk = 0.0022321 k( 375) = ( -0.5000000 0.5000000 0.2820513), wk = 0.0022321 k( 376) = ( -0.5000000 0.5000000 0.2692308), wk = 0.0022321 k( 377) = ( -0.5000000 0.5000000 0.2564103), wk = 0.0022321 k( 378) = ( -0.5000000 0.5000000 0.2435897), wk = 0.0022321 k( 379) = ( -0.5000000 0.5000000 0.2307692), wk = 0.0022321 k( 380) = ( -0.5000000 0.5000000 0.2179487), wk = 0.0022321 k( 381) = ( -0.5000000 0.5000000 0.2051282), wk = 0.0022321 k( 382) = ( -0.5000000 0.5000000 0.1923077), wk = 0.0022321 k( 383) = ( -0.5000000 0.5000000 0.1794872), wk = 0.0022321 k( 384) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0022321 k( 385) = ( -0.5000000 0.5000000 0.1538461), wk = 0.0022321 k( 386) = ( -0.5000000 0.5000000 0.1410256), wk = 0.0022321 k( 387) = ( -0.5000000 0.5000000 0.1282051), wk = 0.0022321 k( 388) = ( -0.5000000 0.5000000 0.1153846), wk = 0.0022321 k( 389) = ( -0.5000000 0.5000000 0.1025641), wk = 0.0022321 k( 390) = ( -0.5000000 0.5000000 0.0897436), wk = 0.0022321 k( 391) = ( -0.5000000 0.5000000 0.0769231), wk = 0.0022321 k( 392) = ( -0.5000000 0.5000000 0.0641026), wk = 0.0022321 k( 393) = ( -0.5000000 0.5000000 0.0512821), wk = 0.0022321 k( 394) = ( -0.5000000 0.5000000 0.0384615), wk = 0.0022321 k( 395) = ( -0.5000000 0.5000000 0.0256410), wk = 0.0022321 k( 396) = ( -0.5000000 0.5000000 0.0128205), wk = 0.0022321 k( 397) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0022321 k( 398) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022321 k( 399) = ( -0.0100000 0.0100000 0.5000000), wk = 0.0022321 k( 400) = ( -0.0200000 0.0200000 0.5000000), wk = 0.0022321 k( 401) = ( -0.0300000 0.0300000 0.5000000), wk = 0.0022321 k( 402) = ( -0.0400000 0.0400000 0.5000000), wk = 0.0022321 k( 403) = ( -0.0500000 0.0500000 0.5000000), wk = 0.0022321 k( 404) = ( -0.0600000 0.0600000 0.5000000), wk = 0.0022321 k( 405) = ( -0.0700000 0.0700000 0.5000000), wk = 0.0022321 k( 406) = ( -0.0800000 0.0800000 0.5000000), wk = 0.0022321 k( 407) = ( -0.0900000 0.0900000 0.5000000), wk = 0.0022321 k( 408) = ( -0.1000000 0.1000000 0.5000000), wk = 0.0022321 k( 409) = ( -0.1100000 0.1100000 0.5000000), wk = 0.0022321 k( 410) = ( -0.1200000 0.1200000 0.5000000), wk = 0.0022321 k( 411) = ( -0.1300000 0.1300000 0.5000000), wk = 0.0022321 k( 412) = ( -0.1400000 0.1400000 0.5000000), wk = 0.0022321 k( 413) = ( -0.1500000 0.1500000 0.5000000), wk = 0.0022321 k( 414) = ( -0.1600000 0.1600000 0.5000000), wk = 0.0022321 k( 415) = ( -0.1700000 0.1700000 0.5000000), wk = 0.0022321 k( 416) = ( -0.1800000 0.1800000 0.5000000), wk = 0.0022321 k( 417) = ( -0.1900000 0.1900000 0.5000000), wk = 0.0022321 k( 418) = ( -0.2000000 0.2000000 0.5000000), wk = 0.0022321 k( 419) = ( -0.2100000 0.2100000 0.5000000), wk = 0.0022321 k( 420) = ( -0.2200000 0.2200000 0.5000000), wk = 0.0022321 k( 421) = ( -0.2300000 0.2300000 0.5000000), wk = 0.0022321 k( 422) = ( -0.2400000 0.2400000 0.5000000), wk = 0.0022321 k( 423) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0022321 k( 424) = ( -0.2600000 0.2600000 0.5000000), wk = 0.0022321 k( 425) = ( -0.2700000 0.2700000 0.5000000), wk = 0.0022321 k( 426) = ( -0.2800000 0.2800000 0.5000000), wk = 0.0022321 k( 427) = ( -0.2900000 0.2900000 0.5000000), wk = 0.0022321 k( 428) = ( -0.3000000 0.3000000 0.5000000), wk = 0.0022321 k( 429) = ( -0.3100000 0.3100000 0.5000000), wk = 0.0022321 k( 430) = ( -0.3200000 0.3200000 0.5000000), wk = 0.0022321 k( 431) = ( -0.3300000 0.3300000 0.5000000), wk = 0.0022321 k( 432) = ( -0.3400000 0.3400000 0.5000000), wk = 0.0022321 k( 433) = ( -0.3500000 0.3500000 0.5000000), wk = 0.0022321 k( 434) = ( -0.3600000 0.3600000 0.5000000), wk = 0.0022321 k( 435) = ( -0.3700000 0.3700000 0.5000000), wk = 0.0022321 k( 436) = ( -0.3800000 0.3800000 0.5000000), wk = 0.0022321 k( 437) = ( -0.3900000 0.3900000 0.5000000), wk = 0.0022321 k( 438) = ( -0.4000000 0.4000000 0.5000000), wk = 0.0022321 k( 439) = ( -0.4100000 0.4100000 0.5000000), wk = 0.0022321 k( 440) = ( -0.4200000 0.4200000 0.5000000), wk = 0.0022321 k( 441) = ( -0.4300000 0.4300000 0.5000000), wk = 0.0022321 k( 442) = ( -0.4400000 0.4400000 0.5000000), wk = 0.0022321 k( 443) = ( -0.4500000 0.4500000 0.5000000), wk = 0.0022321 k( 444) = ( -0.4600000 0.4600000 0.5000000), wk = 0.0022321 k( 445) = ( -0.4700000 0.4700000 0.5000000), wk = 0.0022321 k( 446) = ( -0.4800000 0.4800000 0.5000000), wk = 0.0022321 k( 447) = ( -0.4900000 0.4900000 0.5000000), wk = 0.0022321 k( 448) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0022321 Dense grid: 49247 G-vectors FFT dimensions: ( 48, 48, 45) Smooth grid: 37049 G-vectors FFT dimensions: ( 45, 45, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.18 Mb ( 276, 42) NL pseudopotentials 0.19 Mb ( 138, 90) Each V/rho on FFT grid 0.07 Mb ( 4608) Each G-vector array 0.01 Mb ( 1368) G-vector shells 0.01 Mb ( 694) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.71 Mb ( 276, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.12 Mb ( 90, 2, 42) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./NaIO3.save/charge-density.dat Starting wfc are 42 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.4 secs Computing kpt #: 2 total cpu time spent up to now is 2.9 secs Computing kpt #: 3 total cpu time spent up to now is 3.4 secs Computing kpt #: 4 total cpu time spent up to now is 3.9 secs Computing kpt #: 5 total cpu time spent up to now is 4.4 secs Computing kpt #: 6 total cpu time spent up to now is 4.9 secs Computing kpt #: 7 total cpu time spent up to now is 5.5 secs Computing kpt #: 8 total cpu time spent up to now is 6.0 secs Computing kpt #: 9 total cpu time spent up to now is 6.5 secs Computing kpt #: 10 total cpu time spent up to now is 7.0 secs Computing kpt #: 11 total cpu time spent up to now is 7.6 secs Computing kpt #: 12 total cpu time spent up to now is 8.1 secs Computing kpt #: 13 total cpu time spent up to now is 8.6 secs Computing kpt #: 14 total cpu time spent up to now is 9.0 secs Computing kpt #: 15 total cpu time spent up to now is 9.5 secs Computing kpt #: 16 total cpu time spent up to now is 10.1 secs Computing kpt #: 17 total cpu time spent up to now is 10.6 secs Computing kpt #: 18 total cpu time spent up to now is 11.1 secs Computing kpt #: 19 total cpu time spent up to now is 11.5 secs Computing kpt #: 20 total cpu time spent up to now is 12.0 secs Computing kpt #: 21 total cpu time spent up to now is 12.4 secs Computing kpt #: 22 total cpu time spent up to now is 12.8 secs Computing kpt #: 23 total cpu time spent up to now is 13.2 secs Computing kpt #: 24 total cpu time spent up to now is 13.6 secs Computing kpt #: 25 total cpu time spent up to now is 14.2 secs Computing kpt #: 26 total cpu time spent up to now is 14.6 secs Computing kpt #: 27 total cpu time spent up to now is 15.0 secs Computing kpt #: 28 total cpu time spent up to now is 15.4 secs Computing kpt #: 29 total cpu time spent up to now is 15.8 secs Computing kpt #: 30 total cpu time spent up to now is 16.2 secs Computing kpt #: 31 total cpu time spent up to now is 16.6 secs Computing kpt #: 32 total cpu time spent up to now is 17.0 secs Computing kpt #: 33 total cpu time spent up to now is 17.4 secs Computing kpt #: 34 total cpu time spent up to now is 17.8 secs Computing kpt #: 35 total cpu time spent up to now is 18.2 secs Computing kpt #: 36 total cpu time spent up to now is 18.6 secs Computing kpt #: 37 total cpu time spent up to now is 19.0 secs Computing kpt #: 38 total cpu time spent up to now is 19.5 secs Computing kpt #: 39 total cpu time spent up to now is 19.9 secs Computing kpt #: 40 total cpu time spent up to now is 20.3 secs Computing kpt #: 41 total cpu time spent up to now is 20.7 secs Computing kpt #: 42 total cpu time spent up to now is 21.0 secs Computing kpt #: 43 total cpu time spent up to now is 21.4 secs Computing kpt #: 44 total cpu time spent up to now is 21.8 secs Computing kpt #: 45 total cpu time spent up to now is 22.2 secs Computing kpt #: 46 total cpu time spent up to now is 22.6 secs Computing kpt #: 47 total cpu time spent up to now is 23.0 secs Computing kpt #: 48 total cpu time spent up to now is 23.4 secs Computing kpt #: 49 total cpu time spent up to now is 23.8 secs Computing kpt #: 50 total cpu time spent up to now is 24.2 secs Computing kpt #: 51 total cpu time spent up to now is 24.5 secs Computing kpt #: 52 total cpu time spent up to now is 24.9 secs Computing kpt #: 53 total cpu time spent up to now is 25.3 secs Computing kpt #: 54 total cpu time spent up to now is 25.7 secs Computing kpt #: 55 total cpu time spent up to now is 26.1 secs Computing kpt #: 56 total cpu time spent up to now is 26.5 secs Computing kpt #: 57 total cpu time spent up to now is 26.9 secs Computing kpt #: 58 total cpu time spent up to now is 27.2 secs Computing kpt #: 59 total cpu time spent up to now is 27.6 secs Computing kpt #: 60 total cpu time spent up to now is 28.0 secs Computing kpt #: 61 total cpu time spent up to now is 28.4 secs Computing kpt #: 62 total cpu time spent up to now is 28.8 secs Computing kpt #: 63 total cpu time spent up to now is 29.2 secs Computing kpt #: 64 total cpu time spent up to now is 29.6 secs Computing kpt #: 65 total cpu time spent up to now is 30.0 secs Computing kpt #: 66 total cpu time spent up to now is 30.3 secs Computing kpt #: 67 total cpu time spent up to now is 30.7 secs Computing kpt #: 68 total cpu time spent up to now is 31.1 secs Computing kpt #: 69 total cpu time spent up to now is 31.5 secs Computing kpt #: 70 total cpu time spent up to now is 31.9 secs Computing kpt #: 71 total cpu time spent up to now is 32.3 secs Computing kpt #: 72 total cpu time spent up to now is 32.7 secs Computing kpt #: 73 total cpu time spent up to now is 33.0 secs Computing kpt #: 74 total cpu time spent up to now is 33.4 secs Computing kpt #: 75 total cpu time spent up to now is 33.8 secs Computing kpt #: 76 total cpu time spent up to now is 34.2 secs Computing kpt #: 77 total cpu time spent up to now is 34.6 secs Computing kpt #: 78 total cpu time spent up to now is 35.0 secs Computing kpt #: 79 total cpu time spent up to now is 36.0 secs Computing kpt #: 80 total cpu time spent up to now is 36.4 secs Computing kpt #: 81 total cpu time spent up to now is 36.8 secs Computing kpt #: 82 total cpu time spent up to now is 37.1 secs Computing kpt #: 83 total cpu time spent up to now is 37.5 secs Computing kpt #: 84 total cpu time spent up to now is 37.9 secs Computing kpt #: 85 total cpu time spent up to now is 38.3 secs Computing kpt #: 86 total cpu time spent up to now is 38.6 secs Computing kpt #: 87 total cpu time spent up to now is 39.0 secs Computing kpt #: 88 total cpu time spent up to now is 39.4 secs Computing kpt #: 89 total cpu time spent up to now is 39.8 secs Computing kpt #: 90 total cpu time spent up to now is 40.2 secs Computing kpt #: 91 total cpu time spent up to now is 40.6 secs Computing kpt #: 92 total cpu time spent up to now is 41.0 secs Computing kpt #: 93 total cpu time spent up to now is 41.3 secs Computing kpt #: 94 total cpu time spent up to now is 41.7 secs Computing kpt #: 95 total cpu time spent up to now is 42.1 secs Computing kpt #: 96 total cpu time spent up to now is 42.5 secs Computing kpt #: 97 total cpu time spent up to now is 42.9 secs Computing kpt #: 98 total cpu time spent up to now is 43.2 secs Computing kpt #: 99 total cpu time spent up to now is 43.7 secs Computing kpt #: 100 total cpu time spent up to now is 44.1 secs Computing kpt #: 101 total cpu time spent up to now is 44.5 secs Computing kpt #: 102 total cpu time spent up to now is 44.8 secs Computing kpt #: 103 total cpu time spent up to now is 45.2 secs Computing kpt #: 104 total cpu time spent up to now is 45.6 secs Computing kpt #: 105 total cpu time spent up to now is 46.0 secs Computing kpt #: 106 total cpu time spent up to now is 46.4 secs Computing kpt #: 107 total cpu time spent up to now is 46.8 secs Computing kpt #: 108 total cpu time spent up to now is 47.2 secs Computing kpt #: 109 total cpu time spent up to now is 47.7 secs Computing kpt #: 110 total cpu time spent up to now is 48.1 secs Computing kpt #: 111 total cpu time spent up to now is 48.5 secs Computing kpt #: 112 total cpu time spent up to now is 49.0 secs Computing kpt #: 113 total cpu time spent up to now is 49.4 secs Computing kpt #: 114 total cpu time spent up to now is 49.9 secs Computing kpt #: 115 total cpu time spent up to now is 50.4 secs Computing kpt #: 116 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 51.5 secs Computing kpt #: 117 total cpu time spent up to now is 51.8 secs Computing kpt #: 118 total cpu time spent up to now is 52.2 secs Computing kpt #: 119 total cpu time spent up to now is 52.6 secs Computing kpt #: 120 total cpu time spent up to now is 53.0 secs Computing kpt #: 121 total cpu time spent up to now is 53.4 secs Computing kpt #: 122 total cpu time spent up to now is 53.7 secs Computing kpt #: 123 total cpu time spent up to now is 54.1 secs Computing kpt #: 124 total cpu time spent up to now is 54.5 secs Computing kpt #: 125 total cpu time spent up to now is 54.8 secs Computing kpt #: 126 total cpu time spent up to now is 55.2 secs Computing kpt #: 127 total cpu time spent up to now is 55.6 secs Computing kpt #: 128 total cpu time spent up to now is 55.9 secs Computing kpt #: 129 total cpu time spent up to now is 56.3 secs Computing kpt #: 130 total cpu time spent up to now is 56.7 secs Computing kpt #: 131 total cpu time spent up to now is 57.0 secs Computing kpt #: 132 total cpu time spent up to now is 57.3 secs Computing kpt #: 133 total cpu time spent up to now is 57.7 secs Computing kpt #: 134 total cpu time spent up to now is 58.0 secs Computing kpt #: 135 total cpu time spent up to now is 58.3 secs Computing kpt #: 136 total cpu time spent up to now is 58.7 secs Computing kpt #: 137 total cpu time spent up to now is 59.0 secs Computing kpt #: 138 total cpu time spent up to now is 59.3 secs Computing kpt #: 139 total cpu time spent up to now is 59.6 secs Computing kpt #: 140 total cpu time spent up to now is 60.0 secs Computing kpt #: 141 total cpu time spent up to now is 60.3 secs Computing kpt #: 142 total cpu time spent up to now is 60.6 secs Computing kpt #: 143 total cpu time spent up to now is 60.9 secs Computing kpt #: 144 total cpu time spent up to now is 61.2 secs Computing kpt #: 145 total cpu time spent up to now is 61.6 secs Computing kpt #: 146 total cpu time spent up to now is 62.0 secs Computing kpt #: 147 total cpu time spent up to now is 62.4 secs Computing kpt #: 148 total cpu time spent up to now is 62.8 secs Computing kpt #: 149 total cpu time spent up to now is 63.1 secs Computing kpt #: 150 total cpu time spent up to now is 63.5 secs Computing kpt #: 151 total cpu time spent up to now is 63.9 secs Computing kpt #: 152 total cpu time spent up to now is 64.3 secs Computing kpt #: 153 total cpu time spent up to now is 64.8 secs Computing kpt #: 154 total cpu time spent up to now is 65.2 secs Computing kpt #: 155 total cpu time spent up to now is 65.5 secs Computing kpt #: 156 total cpu time spent up to now is 66.0 secs Computing kpt #: 157 total cpu time spent up to now is 66.3 secs Computing kpt #: 158 total cpu time spent up to now is 66.7 secs Computing kpt #: 159 total cpu time spent up to now is 67.2 secs Computing kpt #: 160 total cpu time spent up to now is 67.6 secs Computing kpt #: 161 total cpu time spent up to now is 68.1 secs Computing kpt #: 162 total cpu time spent up to now is 68.5 secs Computing kpt #: 163 total cpu time spent up to now is 68.9 secs Computing kpt #: 164 total cpu time spent up to now is 69.3 secs Computing kpt #: 165 total cpu time spent up to now is 69.6 secs Computing kpt #: 166 total cpu time spent up to now is 70.1 secs Computing kpt #: 167 total cpu time spent up to now is 70.9 secs Computing kpt #: 168 total cpu time spent up to now is 71.3 secs Computing kpt #: 169 total cpu time spent up to now is 71.7 secs Computing kpt #: 170 total cpu time spent up to now is 72.1 secs Computing kpt #: 171 total cpu time spent up to now is 72.5 secs Computing kpt #: 172 total cpu time spent up to now is 72.9 secs Computing kpt #: 173 total cpu time spent up to now is 73.3 secs Computing kpt #: 174 total cpu time spent up to now is 73.6 secs Computing kpt #: 175 total cpu time spent up to now is 74.0 secs Computing kpt #: 176 total cpu time spent up to now is 74.4 secs Computing kpt #: 177 total cpu time spent up to now is 74.8 secs Computing kpt #: 178 total cpu time spent up to now is 75.2 secs Computing kpt #: 179 total cpu time spent up to now is 75.6 secs Computing kpt #: 180 total cpu time spent up to now is 75.9 secs Computing kpt #: 181 total cpu time spent up to now is 76.3 secs Computing kpt #: 182 total cpu time spent up to now is 76.8 secs Computing kpt #: 183 total cpu time spent up to now is 77.2 secs Computing kpt #: 184 total cpu time spent up to now is 77.7 secs Computing kpt #: 185 total cpu time spent up to now is 78.5 secs Computing kpt #: 186 total cpu time spent up to now is 79.4 secs Computing kpt #: 187 total cpu time spent up to now is 80.0 secs Computing kpt #: 188 total cpu time spent up to now is 80.6 secs Computing kpt #: 189 total cpu time spent up to now is 81.5 secs Computing kpt #: 190 total cpu time spent up to now is 82.2 secs Computing kpt #: 191 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 83.3 secs Computing kpt #: 192 total cpu time spent up to now is 83.9 secs Computing kpt #: 193 total cpu time spent up to now is 84.5 secs Computing kpt #: 194 total cpu time spent up to now is 85.0 secs Computing kpt #: 195 total cpu time spent up to now is 85.6 secs Computing kpt #: 196 total cpu time spent up to now is 86.1 secs Computing kpt #: 197 total cpu time spent up to now is 86.6 secs Computing kpt #: 198 total cpu time spent up to now is 87.2 secs Computing kpt #: 199 total cpu time spent up to now is 87.7 secs Computing kpt #: 200 total cpu time spent up to now is 88.2 secs Computing kpt #: 201 total cpu time spent up to now is 88.8 secs Computing kpt #: 202 total cpu time spent up to now is 89.3 secs Computing kpt #: 203 total cpu time spent up to now is 89.8 secs Computing kpt #: 204 total cpu time spent up to now is 90.3 secs Computing kpt #: 205 total cpu time spent up to now is 90.8 secs Computing kpt #: 206 total cpu time spent up to now is 91.3 secs Computing kpt #: 207 total cpu time spent up to now is 91.8 secs Computing kpt #: 208 total cpu time spent up to now is 92.3 secs Computing kpt #: 209 total cpu time spent up to now is 92.8 secs Computing kpt #: 210 total cpu time spent up to now is 93.3 secs Computing kpt #: 211 total cpu time spent up to now is 93.8 secs Computing kpt #: 212 total cpu time spent up to now is 94.3 secs Computing kpt #: 213 total cpu time spent up to now is 94.8 secs Computing kpt #: 214 total cpu time spent up to now is 95.3 secs Computing kpt #: 215 total cpu time spent up to now is 95.8 secs Computing kpt #: 216 total cpu time spent up to now is 96.2 secs Computing kpt #: 217 total cpu time spent up to now is 96.7 secs Computing kpt #: 218 total cpu time spent up to now is 97.2 secs Computing kpt #: 219 total cpu time spent up to now is 97.6 secs Computing kpt #: 220 total cpu time spent up to now is 98.0 secs Computing kpt #: 221 total cpu time spent up to now is 98.5 secs Computing kpt #: 222 total cpu time spent up to now is 98.9 secs Computing kpt #: 223 total cpu time spent up to now is 99.4 secs Computing kpt #: 224 total cpu time spent up to now is 99.8 secs Computing kpt #: 225 total cpu time spent up to now is 100.3 secs Computing kpt #: 226 total cpu time spent up to now is 100.7 secs Computing kpt #: 227 total cpu time spent up to now is 101.3 secs Computing kpt #: 228 total cpu time spent up to now is 101.7 secs Computing kpt #: 229 total cpu time spent up to now is 102.2 secs Computing kpt #: 230 total cpu time spent up to now is 102.7 secs Computing kpt #: 231 total cpu time spent up to now is 103.4 secs Computing kpt #: 232 total cpu time spent up to now is 104.1 secs Computing kpt #: 233 total cpu time spent up to now is 104.6 secs Computing kpt #: 234 total cpu time spent up to now is 105.1 secs Computing kpt #: 235 total cpu time spent up to now is 106.2 secs Computing kpt #: 236 total cpu time spent up to now is 106.7 secs Computing kpt #: 237 total cpu time spent up to now is 107.3 secs Computing kpt #: 238 total cpu time spent up to now is 107.9 secs Computing kpt #: 239 total cpu time spent up to now is 108.4 secs Computing kpt #: 240 total cpu time spent up to now is 108.9 secs Computing kpt #: 241 total cpu time spent up to now is 109.4 secs Computing kpt #: 242 total cpu time spent up to now is 110.0 secs Computing kpt #: 243 total cpu time spent up to now is 110.5 secs Computing kpt #: 244 total cpu time spent up to now is 111.0 secs Computing kpt #: 245 total cpu time spent up to now is 111.5 secs Computing kpt #: 246 total cpu time spent up to now is 112.1 secs Computing kpt #: 247 total cpu time spent up to now is 112.6 secs Computing kpt #: 248 total cpu time spent up to now is 113.1 secs Computing kpt #: 249 total cpu time spent up to now is 113.6 secs Computing kpt #: 250 total cpu time spent up to now is 114.1 secs Computing kpt #: 251 total cpu time spent up to now is 114.6 secs Computing kpt #: 252 total cpu time spent up to now is 115.2 secs Computing kpt #: 253 total cpu time spent up to now is 115.7 secs Computing kpt #: 254 total cpu time spent up to now is 116.2 secs Computing kpt #: 255 total cpu time spent up to now is 116.7 secs Computing kpt #: 256 total cpu time spent up to now is 117.2 secs Computing kpt #: 257 total cpu time spent up to now is 117.8 secs Computing kpt #: 258 total cpu time spent up to now is 118.3 secs Computing kpt #: 259 total cpu time spent up to now is 118.8 secs Computing kpt #: 260 total cpu time spent up to now is 119.3 secs Computing kpt #: 261 total cpu time spent up to now is 119.9 secs Computing kpt #: 262 total cpu time spent up to now is 120.4 secs Computing kpt #: 263 total cpu time spent up to now is 120.9 secs Computing kpt #: 264 total cpu time spent up to now is 121.4 secs Computing kpt #: 265 total cpu time spent up to now is 121.8 secs Computing kpt #: 266 total cpu time spent up to now is 122.4 secs Computing kpt #: 267 total cpu time spent up to now is 122.9 secs Computing kpt #: 268 total cpu time spent up to now is 123.3 secs Computing kpt #: 269 total cpu time spent up to now is 123.8 secs Computing kpt #: 270 total cpu time spent up to now is 124.3 secs Computing kpt #: 271 total cpu time spent up to now is 124.7 secs Computing kpt #: 272 total cpu time spent up to now is 125.1 secs Computing kpt #: 273 total cpu time spent up to now is 125.6 secs Computing kpt #: 274 total cpu time spent up to now is 125.9 secs Computing kpt #: 275 total cpu time spent up to now is 126.3 secs Computing kpt #: 276 total cpu time spent up to now is 126.7 secs Computing kpt #: 277 total cpu time spent up to now is 127.1 secs Computing kpt #: 278 total cpu time spent up to now is 127.5 secs Computing kpt #: 279 total cpu time spent up to now is 127.9 secs Computing kpt #: 280 total cpu time spent up to now is 128.3 secs Computing kpt #: 281 total cpu time spent up to now is 128.6 secs Computing kpt #: 282 total cpu time spent up to now is 129.0 secs Computing kpt #: 283 total cpu time spent up to now is 129.4 secs Computing kpt #: 284 total cpu time spent up to now is 129.8 secs Computing kpt #: 285 total cpu time spent up to now is 130.2 secs Computing kpt #: 286 total cpu time spent up to now is 130.6 secs Computing kpt #: 287 total cpu time spent up to now is 131.0 secs Computing kpt #: 288 total cpu time spent up to now is 131.4 secs Computing kpt #: 289 total cpu time spent up to now is 131.8 secs Computing kpt #: 290 total cpu time spent up to now is 132.2 secs Computing kpt #: 291 total cpu time spent up to now is 132.6 secs Computing kpt #: 292 total cpu time spent up to now is 133.0 secs Computing kpt #: 293 total cpu time spent up to now is 133.3 secs Computing kpt #: 294 total cpu time spent up to now is 133.7 secs Computing kpt #: 295 total cpu time spent up to now is 134.1 secs Computing kpt #: 296 total cpu time spent up to now is 134.5 secs Computing kpt #: 297 total cpu time spent up to now is 134.9 secs Computing kpt #: 298 total cpu time spent up to now is 135.3 secs Computing kpt #: 299 total cpu time spent up to now is 135.6 secs Computing kpt #: 300 total cpu time spent up to now is 136.0 secs Computing kpt #: 301 total cpu time spent up to now is 136.4 secs Computing kpt #: 302 total cpu time spent up to now is 136.8 secs Computing kpt #: 303 total cpu time spent up to now is 137.2 secs Computing kpt #: 304 total cpu time spent up to now is 137.6 secs Computing kpt #: 305 total cpu time spent up to now is 138.0 secs Computing kpt #: 306 total cpu time spent up to now is 138.4 secs Computing kpt #: 307 total cpu time spent up to now is 138.8 secs Computing kpt #: 308 total cpu time spent up to now is 139.2 secs Computing kpt #: 309 total cpu time spent up to now is 139.6 secs Computing kpt #: 310 total cpu time spent up to now is 139.9 secs Computing kpt #: 311 total cpu time spent up to now is 141.2 secs Computing kpt #: 312 total cpu time spent up to now is 141.6 secs Computing kpt #: 313 total cpu time spent up to now is 142.0 secs Computing kpt #: 314 total cpu time spent up to now is 142.3 secs Computing kpt #: 315 total cpu time spent up to now is 142.7 secs Computing kpt #: 316 total cpu time spent up to now is 143.1 secs Computing kpt #: 317 total cpu time spent up to now is 143.5 secs Computing kpt #: 318 total cpu time spent up to now is 143.9 secs Computing kpt #: 319 total cpu time spent up to now is 144.3 secs Computing kpt #: 320 total cpu time spent up to now is 144.7 secs Computing kpt #: 321 total cpu time spent up to now is 145.1 secs Computing kpt #: 322 total cpu time spent up to now is 145.5 secs Computing kpt #: 323 total cpu time spent up to now is 145.9 secs Computing kpt #: 324 total cpu time spent up to now is 146.2 secs Computing kpt #: 325 total cpu time spent up to now is 146.6 secs Computing kpt #: 326 total cpu time spent up to now is 147.0 secs Computing kpt #: 327 total cpu time spent up to now is 147.4 secs Computing kpt #: 328 total cpu time spent up to now is 147.7 secs Computing kpt #: 329 total cpu time spent up to now is 148.1 secs Computing kpt #: 330 total cpu time spent up to now is 148.5 secs Computing kpt #: 331 total cpu time spent up to now is 148.9 secs Computing kpt #: 332 total cpu time spent up to now is 149.4 secs Computing kpt #: 333 total cpu time spent up to now is 149.8 secs Computing kpt #: 334 total cpu time spent up to now is 150.2 secs Computing kpt #: 335 total cpu time spent up to now is 150.7 secs Computing kpt #: 336 total cpu time spent up to now is 151.3 secs Computing kpt #: 337 total cpu time spent up to now is 151.7 secs Computing kpt #: 338 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 152.8 secs Computing kpt #: 339 total cpu time spent up to now is 153.7 secs Computing kpt #: 340 total cpu time spent up to now is 154.4 secs Computing kpt #: 341 total cpu time spent up to now is 154.9 secs Computing kpt #: 342 total cpu time spent up to now is 155.5 secs Computing kpt #: 343 total cpu time spent up to now is 156.0 secs Computing kpt #: 344 total cpu time spent up to now is 156.4 secs Computing kpt #: 345 total cpu time spent up to now is 156.8 secs Computing kpt #: 346 total cpu time spent up to now is 157.3 secs Computing kpt #: 347 total cpu time spent up to now is 157.8 secs Computing kpt #: 348 total cpu time spent up to now is 158.2 secs Computing kpt #: 349 total cpu time spent up to now is 158.6 secs Computing kpt #: 350 total cpu time spent up to now is 159.0 secs Computing kpt #: 351 total cpu time spent up to now is 159.4 secs Computing kpt #: 352 total cpu time spent up to now is 159.9 secs Computing kpt #: 353 total cpu time spent up to now is 160.4 secs Computing kpt #: 354 total cpu time spent up to now is 160.8 secs Computing kpt #: 355 total cpu time spent up to now is 161.2 secs Computing kpt #: 356 total cpu time spent up to now is 161.7 secs Computing kpt #: 357 total cpu time spent up to now is 162.2 secs Computing kpt #: 358 total cpu time spent up to now is 162.8 secs Computing kpt #: 359 total cpu time spent up to now is 163.4 secs Computing kpt #: 360 total cpu time spent up to now is 164.0 secs Computing kpt #: 361 total cpu time spent up to now is 164.5 secs Computing kpt #: 362 total cpu time spent up to now is 165.0 secs Computing kpt #: 363 total cpu time spent up to now is 165.5 secs Computing kpt #: 364 total cpu time spent up to now is 166.1 secs Computing kpt #: 365 total cpu time spent up to now is 166.6 secs Computing kpt #: 366 total cpu time spent up to now is 167.3 secs Computing kpt #: 367 total cpu time spent up to now is 168.1 secs Computing kpt #: 368 total cpu time spent up to now is 169.0 secs Computing kpt #: 369 total cpu time spent up to now is 170.1 secs Computing kpt #: 370 total cpu time spent up to now is 170.6 secs Computing kpt #: 371 total cpu time spent up to now is 171.3 secs Computing kpt #: 372 total cpu time spent up to now is 171.8 secs Computing kpt #: 373 total cpu time spent up to now is 172.2 secs Computing kpt #: 374 total cpu time spent up to now is 172.7 secs Computing kpt #: 375 total cpu time spent up to now is 173.1 secs Computing kpt #: 376 total cpu time spent up to now is 173.5 secs Computing kpt #: 377 total cpu time spent up to now is 173.9 secs Computing kpt #: 378 total cpu time spent up to now is 174.2 secs Computing kpt #: 379 total cpu time spent up to now is 174.6 secs Computing kpt #: 380 total cpu time spent up to now is 175.0 secs Computing kpt #: 381 total cpu time spent up to now is 175.4 secs Computing kpt #: 382 total cpu time spent up to now is 175.7 secs Computing kpt #: 383 total cpu time spent up to now is 176.1 secs Computing kpt #: 384 total cpu time spent up to now is 176.5 secs Computing kpt #: 385 total cpu time spent up to now is 176.9 secs Computing kpt #: 386 total cpu time spent up to now is 177.2 secs Computing kpt #: 387 total cpu time spent up to now is 177.6 secs Computing kpt #: 388 total cpu time spent up to now is 178.0 secs Computing kpt #: 389 total cpu time spent up to now is 178.4 secs Computing kpt #: 390 total cpu time spent up to now is 178.8 secs Computing kpt #: 391 total cpu time spent up to now is 179.2 secs Computing kpt #: 392 total cpu time spent up to now is 179.5 secs Computing kpt #: 393 total cpu time spent up to now is 179.9 secs Computing kpt #: 394 total cpu time spent up to now is 180.3 secs Computing kpt #: 395 total cpu time spent up to now is 180.7 secs Computing kpt #: 396 total cpu time spent up to now is 181.1 secs Computing kpt #: 397 total cpu time spent up to now is 181.5 secs Computing kpt #: 398 total cpu time spent up to now is 182.0 secs Computing kpt #: 399 total cpu time spent up to now is 182.4 secs Computing kpt #: 400 total cpu time spent up to now is 182.9 secs Computing kpt #: 401 total cpu time spent up to now is 183.4 secs Computing kpt #: 402 total cpu time spent up to now is 183.9 secs Computing kpt #: 403 total cpu time spent up to now is 184.3 secs Computing kpt #: 404 total cpu time spent up to now is 184.9 secs Computing kpt #: 405 total cpu time spent up to now is 185.4 secs Computing kpt #: 406 total cpu time spent up to now is 185.8 secs Computing kpt #: 407 total cpu time spent up to now is 186.2 secs Computing kpt #: 408 total cpu time spent up to now is 186.6 secs Computing kpt #: 409 total cpu time spent up to now is 187.0 secs Computing kpt #: 410 total cpu time spent up to now is 187.5 secs Computing kpt #: 411 total cpu time spent up to now is 187.9 secs Computing kpt #: 412 total cpu time spent up to now is 188.3 secs Computing kpt #: 413 total cpu time spent up to now is 188.7 secs Computing kpt #: 414 total cpu time spent up to now is 189.1 secs Computing kpt #: 415 total cpu time spent up to now is 189.6 secs Computing kpt #: 416 total cpu time spent up to now is 190.0 secs Computing kpt #: 417 total cpu time spent up to now is 190.4 secs Computing kpt #: 418 total cpu time spent up to now is 190.9 secs Computing kpt #: 419 total cpu time spent up to now is 191.5 secs Computing kpt #: 420 total cpu time spent up to now is 192.4 secs Computing kpt #: 421 total cpu time spent up to now is 193.0 secs Computing kpt #: 422 total cpu time spent up to now is 193.6 secs Computing kpt #: 423 total cpu time spent up to now is 194.1 secs Computing kpt #: 424 total cpu time spent up to now is 194.6 secs Computing kpt #: 425 total cpu time spent up to now is 195.1 secs Computing kpt #: 426 total cpu time spent up to now is 195.6 secs Computing kpt #: 427 total cpu time spent up to now is 196.2 secs Computing kpt #: 428 total cpu time spent up to now is 196.6 secs Computing kpt #: 429 total cpu time spent up to now is 197.2 secs Computing kpt #: 430 total cpu time spent up to now is 197.6 secs Computing kpt #: 431 total cpu time spent up to now is 198.2 secs Computing kpt #: 432 total cpu time spent up to now is 198.7 secs Computing kpt #: 433 total cpu time spent up to now is 199.2 secs Computing kpt #: 434 total cpu time spent up to now is 199.7 secs Computing kpt #: 435 total cpu time spent up to now is 200.2 secs Computing kpt #: 436 total cpu time spent up to now is 200.7 secs Computing kpt #: 437 total cpu time spent up to now is 201.2 secs Computing kpt #: 438 total cpu time spent up to now is 201.8 secs Computing kpt #: 439 total cpu time spent up to now is 202.3 secs Computing kpt #: 440 total cpu time spent up to now is 202.9 secs Computing kpt #: 441 total cpu time spent up to now is 203.4 secs Computing kpt #: 442 total cpu time spent up to now is 203.9 secs Computing kpt #: 443 total cpu time spent up to now is 204.4 secs Computing kpt #: 444 total cpu time spent up to now is 205.0 secs Computing kpt #: 445 total cpu time spent up to now is 205.6 secs Computing kpt #: 446 total cpu time spent up to now is 206.1 secs Computing kpt #: 447 total cpu time spent up to now is 206.7 secs Computing kpt #: 448 total cpu time spent up to now is 207.2 secs ethr = 2.94E-08, avg # of iterations = 33.6 total cpu time spent up to now is 207.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4667 PWs) bands (ev): -43.0525 -43.0525 -15.2322 -15.2322 -15.0691 -15.0691 -15.0386 -15.0386 -12.7182 -12.7182 -11.6077 -11.6077 -11.5140 -11.5140 -8.3495 -8.3495 0.0348 0.0348 0.5611 0.5611 0.8031 0.8031 2.8377 2.8377 3.1388 3.1388 3.2754 3.2754 3.5928 3.5928 3.7649 3.7649 3.8420 3.8420 4.6098 4.6098 5.2014 5.2014 5.6030 5.6030 11.4875 11.4875 k = 0.0091 0.0101-0.0000 ( 4667 PWs) bands (ev): -43.0525 -43.0525 -15.2323 -15.2323 -15.0692 -15.0692 -15.0388 -15.0388 -12.7174 -12.7174 -11.6077 -11.6077 -11.5140 -11.5140 -8.3501 -8.3501 0.0366 0.0366 0.5622 0.5622 0.8039 0.8039 2.8380 2.8380 3.1384 3.1384 3.2743 3.2743 3.5921 3.5921 3.7643 3.7643 3.8407 3.8407 4.6090 4.6090 5.2005 5.2005 5.5989 5.5989 11.4896 11.4896 k = 0.0181 0.0201-0.0000 ( 4675 PWs) bands (ev): -43.0525 -43.0525 -15.2326 -15.2326 -15.0695 -15.0695 -15.0393 -15.0393 -12.7151 -12.7151 -11.6079 -11.6079 -11.5141 -11.5141 -8.3521 -8.3521 0.0422 0.0422 0.5656 0.5656 0.8066 0.8066 2.8390 2.8390 3.1370 3.1370 3.2707 3.2707 3.5902 3.5902 3.7624 3.7624 3.8371 3.8371 4.6067 4.6067 5.1976 5.1976 5.5866 5.5866 11.4959 11.4959 k = 0.0272 0.0302-0.0000 ( 4669 PWs) bands (ev): -43.0525 -43.0525 -15.2330 -15.2330 -15.0698 -15.0698 -15.0401 -15.0401 -12.7113 -12.7113 -11.6082 -11.6082 -11.5141 -11.5141 -8.3554 -8.3554 0.0515 0.0515 0.5712 0.5712 0.8109 0.8109 2.8406 2.8406 3.1347 3.1347 3.2649 3.2649 3.5871 3.5871 3.7593 3.7593 3.8312 3.8312 4.6028 4.6028 5.1928 5.1928 5.5665 5.5665 11.5062 11.5062 k = 0.0363 0.0402-0.0000 ( 4669 PWs) bands (ev): -43.0525 -43.0525 -15.2336 -15.2336 -15.0704 -15.0704 -15.0412 -15.0412 -12.7059 -12.7059 -11.6087 -11.6087 -11.5142 -11.5142 -8.3599 -8.3599 0.0643 0.0643 0.5792 0.5792 0.8170 0.8170 2.8429 2.8429 3.1315 3.1315 3.2565 3.2565 3.5827 3.5827 3.7548 3.7548 3.8233 3.8233 4.5973 4.5973 5.1860 5.1860 5.5388 5.5388 11.5205 11.5205 k = 0.0454 0.0503-0.0000 ( 4673 PWs) bands (ev): -43.0525 -43.0525 -15.2343 -15.2343 -15.0711 -15.0711 -15.0426 -15.0426 -12.6990 -12.6990 -11.6092 -11.6092 -11.5144 -11.5144 -8.3657 -8.3657 0.0805 0.0805 0.5895 0.5895 0.8249 0.8249 2.8459 2.8459 3.1275 3.1275 3.2456 3.2456 3.5771 3.5771 3.7490 3.7490 3.8135 3.8135 4.5901 4.5901 5.1773 5.1773 5.5040 5.5040 11.5388 11.5388 k = 0.0544 0.0603-0.0000 ( 4671 PWs) bands (ev): -43.0525 -43.0525 -15.2352 -15.2352 -15.0719 -15.0719 -15.0443 -15.0443 -12.6907 -12.6907 -11.6099 -11.6099 -11.5145 -11.5145 -8.3727 -8.3727 0.0999 0.0999 0.6022 0.6022 0.8345 0.8345 2.8494 2.8494 3.1225 3.1225 3.2320 3.2320 3.5705 3.5705 3.7418 3.7418 3.8024 3.8024 4.5812 4.5812 5.1666 5.1666 5.4628 5.4628 11.5607 11.5607 k = 0.0635 0.0704-0.0000 ( 4663 PWs) bands (ev): -43.0525 -43.0525 -15.2363 -15.2363 -15.0728 -15.0728 -15.0463 -15.0463 -12.6809 -12.6809 -11.6107 -11.6107 -11.5148 -11.5148 -8.3808 -8.3808 0.1223 0.1223 0.6173 0.6173 0.8458 0.8458 2.8535 2.8535 3.1168 3.1168 3.2156 3.2156 3.5627 3.5627 3.7330 3.7330 3.7903 3.7903 4.5703 4.5703 5.1538 5.1538 5.4160 5.4160 11.5862 11.5862 k = 0.0726 0.0804-0.0000 ( 4661 PWs) bands (ev): -43.0525 -43.0525 -15.2375 -15.2375 -15.0739 -15.0739 -15.0486 -15.0486 -12.6696 -12.6696 -11.6116 -11.6116 -11.5150 -11.5150 -8.3900 -8.3900 0.1473 0.1473 0.6349 0.6349 0.8588 0.8588 2.8583 2.8583 3.1102 3.1102 3.1961 3.1961 3.5541 3.5541 3.7227 3.7227 3.7777 3.7777 4.5574 4.5574 5.1386 5.1386 5.3646 5.3646 11.6151 11.6151 k = 0.0817 0.0905-0.0000 ( 4660 PWs) bands (ev): -43.0525 -43.0525 -15.2389 -15.2389 -15.0751 -15.0751 -15.0511 -15.0511 -12.6570 -12.6570 -11.6126 -11.6126 -11.5154 -11.5154 -8.4001 -8.4001 0.1746 0.1746 0.6551 0.6551 0.8736 0.8736 2.8636 2.8636 3.1027 3.1027 3.1735 3.1735 3.5446 3.5446 3.7109 3.7109 3.7648 3.7648 4.5420 4.5420 5.1207 5.1207 5.3100 5.3100 11.6472 11.6472 k = 0.0907 0.1005-0.0000 ( 4650 PWs) bands (ev): -43.0525 -43.0525 -15.2404 -15.2404 -15.0764 -15.0764 -15.0539 -15.0539 -12.6430 -12.6430 -11.6137 -11.6137 -11.5158 -11.5158 -8.4112 -8.4112 0.2038 0.2038 0.6779 0.6779 0.8901 0.8901 2.8694 2.8694 3.0945 3.0945 3.1476 3.1476 3.5344 3.5344 3.6978 3.6978 3.7520 3.7520 4.5239 4.5239 5.0992 5.0992 5.2542 5.2542 11.6823 11.6823 k = 0.0998 0.1106-0.0000 ( 4654 PWs) bands (ev): -43.0525 -43.0525 -15.2422 -15.2422 -15.0779 -15.0779 -15.0569 -15.0569 -12.6277 -12.6277 -11.6149 -11.6149 -11.5163 -11.5163 -8.4232 -8.4232 0.2345 0.2345 0.7033 0.7033 0.9084 0.9084 2.8758 2.8758 3.0854 3.0854 3.1185 3.1185 3.5236 3.5236 3.6839 3.6839 3.7391 3.7391 4.5026 4.5026 5.0722 5.0722 5.2002 5.2002 11.7202 11.7202 k = 0.1089 0.1206-0.0000 ( 4650 PWs) bands (ev): -43.0524 -43.0524 -15.2441 -15.2441 -15.0795 -15.0795 -15.0601 -15.0601 -12.6111 -12.6111 -11.6161 -11.6161 -11.5168 -11.5168 -8.4359 -8.4359 0.2662 0.2662 0.7315 0.7315 0.9284 0.9284 2.8826 2.8826 3.0745 3.0745 3.0870 3.0870 3.5125 3.5125 3.6694 3.6694 3.7262 3.7262 4.4774 4.4774 5.0372 5.0372 5.1520 5.1520 11.7608 11.7608 k = 0.1180 0.1307-0.0000 ( 4654 PWs) bands (ev): -43.0524 -43.0524 -15.2461 -15.2461 -15.0812 -15.0812 -15.0634 -15.0634 -12.5933 -12.5933 -11.6175 -11.6175 -11.5175 -11.5175 -8.4493 -8.4493 0.2986 0.2986 0.7622 0.7622 0.9503 0.9503 2.8896 2.8896 3.0477 3.0477 3.0673 3.0673 3.5012 3.5012 3.6548 3.6548 3.7132 3.7132 4.4476 4.4476 4.9931 4.9931 5.1121 5.1121 11.8040 11.8040 k = 0.1270 0.1407-0.0000 ( 4648 PWs) bands (ev): -43.0524 -43.0524 -15.2483 -15.2483 -15.0830 -15.0830 -15.0669 -15.0669 -12.5744 -12.5744 -11.6190 -11.6190 -11.5183 -11.5183 -8.4633 -8.4633 0.3312 0.3312 0.7954 0.7954 0.9742 0.9742 2.8966 2.8966 3.0094 3.0094 3.0557 3.0557 3.4900 3.4900 3.6404 3.6404 3.7000 3.7000 4.4124 4.4124 4.9425 4.9425 5.0796 5.0796 11.8496 11.8496 k = 0.1361 0.1508-0.0000 ( 4644 PWs) bands (ev): -43.0524 -43.0524 -15.2507 -15.2507 -15.0850 -15.0850 -15.0704 -15.0704 -12.5543 -12.5543 -11.6205 -11.6205 -11.5192 -11.5192 -8.4777 -8.4777 0.3635 0.3635 0.8309 0.8309 1.0001 1.0001 2.9022 2.9022 2.9692 2.9692 3.0441 3.0441 3.4790 3.4790 3.6266 3.6266 3.6865 3.6865 4.3711 4.3711 4.8900 4.8900 5.0512 5.0512 11.8974 11.8974 k = 0.1452 0.1608-0.0000 ( 4652 PWs) bands (ev): -43.0524 -43.0524 -15.2532 -15.2532 -15.0872 -15.0872 -15.0739 -15.0739 -12.5332 -12.5332 -11.6221 -11.6221 -11.5203 -11.5203 -8.4926 -8.4926 0.3953 0.3953 0.8681 0.8681 1.0283 1.0283 2.8964 2.8964 2.9377 2.9377 3.0321 3.0321 3.4683 3.4683 3.6133 3.6133 3.6727 3.6727 4.3231 4.3231 4.8392 4.8392 5.0248 5.0248 11.9473 11.9473 k = 0.1543 0.1709-0.0000 ( 4656 PWs) bands (ev): -43.0524 -43.0524 -15.2559 -15.2559 -15.0898 -15.0898 -15.0771 -15.0771 -12.5111 -12.5111 -11.6237 -11.6237 -11.5214 -11.5214 -8.5078 -8.5078 0.4263 0.4263 0.9066 0.9066 1.0588 1.0588 2.8601 2.8601 2.9343 2.9343 3.0195 3.0195 3.4582 3.4582 3.6008 3.6008 3.6587 3.6587 4.2685 4.2685 4.7920 4.7920 4.9992 4.9992 11.9992 11.9992 k = 0.1633 0.1809-0.0000 ( 4658 PWs) bands (ev): -43.0524 -43.0524 -15.2587 -15.2587 -15.0929 -15.0929 -15.0801 -15.0801 -12.4881 -12.4881 -11.6254 -11.6254 -11.5227 -11.5227 -8.5232 -8.5232 0.4562 0.4562 0.9457 0.9457 1.0919 1.0919 2.8115 2.8115 2.9416 2.9416 3.0066 3.0066 3.4487 3.4487 3.5888 3.5888 3.6443 3.6443 4.2080 4.2080 4.7490 4.7490 4.9740 4.9740 12.0531 12.0531 k = 0.1724 0.1910-0.0000 ( 4660 PWs) bands (ev): -43.0524 -43.0524 -15.2616 -15.2616 -15.0963 -15.0963 -15.0828 -15.0828 -12.4642 -12.4642 -11.6271 -11.6271 -11.5242 -11.5242 -8.5388 -8.5388 0.4848 0.4848 0.9848 0.9848 1.1277 1.1277 2.7593 2.7593 2.9512 2.9512 2.9933 2.9933 3.4400 3.4400 3.5772 3.5772 3.6299 3.6299 4.1428 4.1428 4.7101 4.7101 4.9490 4.9490 12.1087 12.1087 k = 0.1815 0.2010-0.0000 ( 4664 PWs) bands (ev): -43.0523 -43.0523 -15.2646 -15.2646 -15.1002 -15.1002 -15.0852 -15.0852 -12.4395 -12.4395 -11.6289 -11.6289 -11.5258 -11.5258 -8.5544 -8.5544 0.5121 0.5121 1.0233 1.0233 1.1660 1.1660 2.7054 2.7054 2.9617 2.9617 2.9797 2.9797 3.4319 3.4319 3.5654 3.5654 3.6155 3.6155 4.0748 4.0748 4.6747 4.6747 4.9240 4.9240 12.1660 12.1660 k = 0.1906 0.2111-0.0000 ( 4654 PWs) bands (ev): -43.0523 -43.0523 -15.2677 -15.2677 -15.1044 -15.1044 -15.0872 -15.0872 -12.4141 -12.4141 -11.6307 -11.6307 -11.5275 -11.5275 -8.5700 -8.5700 0.5378 0.5378 1.0607 1.0607 1.2064 1.2064 2.6506 2.6506 2.9652 2.9652 2.9735 2.9735 3.4245 3.4245 3.5522 3.5522 3.6017 3.6017 4.0065 4.0065 4.6422 4.6422 4.8993 4.8993 12.2249 12.2249 k = 0.1996 0.2212-0.0000 ( 4646 PWs) bands (ev): -43.0523 -43.0523 -15.2709 -15.2709 -15.1089 -15.1089 -15.0890 -15.0890 -12.3881 -12.3881 -11.6325 -11.6325 -11.5294 -11.5294 -8.5855 -8.5855 0.5620 0.5620 1.0968 1.0968 1.2482 1.2482 2.5959 2.5959 2.9513 2.9513 2.9853 2.9853 3.4175 3.4175 3.5356 3.5356 3.5892 3.5892 3.9405 3.9405 4.6116 4.6116 4.8748 4.8748 12.2853 12.2853 k = 0.2087 0.2312-0.0000 ( 4644 PWs) bands (ev): -43.0523 -43.0523 -15.2742 -15.2742 -15.1135 -15.1135 -15.0906 -15.0906 -12.3616 -12.3616 -11.6344 -11.6344 -11.5314 -11.5314 -8.6008 -8.6008 0.5844 0.5844 1.1316 1.1316 1.2904 1.2904 2.5421 2.5421 2.9369 2.9369 2.9978 2.9978 3.4107 3.4107 3.5129 3.5129 3.5789 3.5789 3.8805 3.8805 4.5823 4.5823 4.8507 4.8507 12.3471 12.3471 k = 0.2178 0.2413-0.0000 ( 4644 PWs) bands (ev): -43.0523 -43.0523 -15.2776 -15.2776 -15.1183 -15.1183 -15.0921 -15.0921 -12.3346 -12.3346 -11.6362 -11.6362 -11.5335 -11.5335 -8.6160 -8.6160 0.6051 0.6051 1.1648 1.1648 1.3321 1.3321 2.4900 2.4900 2.9223 2.9223 3.0110 3.0110 3.4032 3.4032 3.4817 3.4817 3.5710 3.5710 3.8306 3.8306 4.5537 4.5537 4.8270 4.8270 12.4101 12.4101 k = 0.2269 0.2513-0.0000 ( 4638 PWs) bands (ev): -43.0522 -43.0522 -15.2810 -15.2810 -15.1232 -15.1232 -15.0935 -15.0935 -12.3072 -12.3072 -11.6381 -11.6381 -11.5357 -11.5357 -8.6309 -8.6309 0.6239 0.6239 1.1961 1.1961 1.3724 1.3724 2.4407 2.4407 2.9076 2.9076 3.0247 3.0247 3.3929 3.3929 3.4423 3.4423 3.5653 3.5653 3.7940 3.7940 4.5253 4.5253 4.8040 4.8040 12.4744 12.4744 k = 0.2359 0.2614-0.0000 ( 4630 PWs) bands (ev): -43.0522 -43.0522 -15.2845 -15.2845 -15.1281 -15.1281 -15.0948 -15.0948 -12.2795 -12.2795 -11.6399 -11.6399 -11.5381 -11.5381 -8.6454 -8.6454 0.6407 0.6407 1.2250 1.2250 1.4106 1.4106 2.3952 2.3952 2.8929 2.8929 3.0389 3.0389 3.3671 3.3671 3.4071 3.4071 3.5616 3.5616 3.7719 3.7719 4.4968 4.4968 4.7818 4.7818 12.5396 12.5397 k = 0.2450 0.2714-0.0000 ( 4622 PWs) bands (ev): -43.0522 -43.0522 -15.2880 -15.2880 -15.1330 -15.1330 -15.0959 -15.0959 -12.2517 -12.2517 -11.6417 -11.6417 -11.5405 -11.5405 -8.6596 -8.6596 0.6555 0.6555 1.2505 1.2505 1.4465 1.4465 2.3544 2.3544 2.8782 2.8782 3.0537 3.0537 3.3129 3.3129 3.3909 3.3909 3.5599 3.5599 3.7632 3.7632 4.4681 4.4681 4.7604 4.7604 12.6059 12.6059 k = 0.2541 0.2815-0.0000 ( 4612 PWs) bands (ev): -43.0521 -43.0521 -15.2915 -15.2915 -15.1379 -15.1379 -15.0970 -15.0970 -12.2237 -12.2237 -11.6436 -11.6436 -11.5430 -11.5430 -8.6733 -8.6733 0.6680 0.6680 1.2713 1.2713 1.4805 1.4805 2.3193 2.3193 2.8635 2.8635 3.0687 3.0687 3.2474 3.2474 3.3794 3.3794 3.5603 3.5603 3.7656 3.7656 4.4390 4.4390 4.7399 4.7399 12.6729 12.6729 k = 0.2631 0.2915-0.0000 ( 4612 PWs) bands (ev): -43.0521 -43.0521 -15.2950 -15.2950 -15.1429 -15.1429 -15.0981 -15.0981 -12.1958 -12.1958 -11.6453 -11.6453 -11.5455 -11.5455 -8.6867 -8.6867 0.6781 0.6781 1.2857 1.2857 1.5135 1.5135 2.2904 2.2904 2.8489 2.8489 3.0831 3.0831 3.1786 3.1786 3.3679 3.3679 3.5629 3.5629 3.7769 3.7769 4.4096 4.4096 4.7204 4.7204 12.7406 12.7406 k = 0.2722 0.3016-0.0000 ( 4608 PWs) bands (ev): -43.0521 -43.0521 -15.2986 -15.2986 -15.1477 -15.1477 -15.0991 -15.0991 -12.1680 -12.1680 -11.6471 -11.6471 -11.5480 -11.5480 -8.6995 -8.6995 0.6858 0.6858 1.2924 1.2924 1.5468 1.5468 2.2679 2.2679 2.8344 2.8344 3.0843 3.0843 3.1218 3.1218 3.3557 3.3557 3.5676 3.5676 3.7952 3.7952 4.3802 4.3802 4.7018 4.7018 12.8088 12.8089 k = 0.2813 0.3116-0.0000 ( 4608 PWs) bands (ev): -43.0521 -43.0521 -15.3021 -15.3021 -15.1525 -15.1525 -15.1000 -15.1000 -12.1404 -12.1404 -11.6488 -11.6488 -11.5504 -11.5504 -8.7119 -8.7119 0.6907 0.6907 1.2908 1.2908 1.5815 1.5815 2.2514 2.2514 2.8201 2.8201 3.0260 3.0260 3.1246 3.1246 3.3426 3.3426 3.5743 3.5743 3.8190 3.8190 4.3514 4.3514 4.6842 4.6842 12.8775 12.8775 k = 0.2904 0.3217-0.0000 ( 4608 PWs) bands (ev): -43.0521 -43.0521 -15.3057 -15.3057 -15.1572 -15.1572 -15.1009 -15.1009 -12.1131 -12.1131 -11.6505 -11.6505 -11.5528 -11.5528 -8.7238 -8.7238 0.6928 0.6928 1.2812 1.2812 1.6182 1.6182 2.2403 2.2403 2.8060 2.8060 2.9557 2.9557 3.1404 3.1404 3.3289 3.3289 3.5827 3.5827 3.8465 3.8465 4.3239 4.3239 4.6676 4.6676 12.9463 12.9463 k = 0.2994 0.3317-0.0000 ( 4614 PWs) bands (ev): -43.0521 -43.0521 -15.3091 -15.3091 -15.1619 -15.1619 -15.1017 -15.1017 -12.0863 -12.0863 -11.6522 -11.6522 -11.5550 -11.5550 -8.7351 -8.7351 0.6919 0.6919 1.2647 1.2647 1.6572 1.6572 2.2333 2.2333 2.7922 2.7922 2.8857 2.8857 3.1575 3.1575 3.3148 3.3148 3.5927 3.5927 3.8755 3.8755 4.2993 4.2993 4.6520 4.6520 13.0151 13.0151 k = 0.3085 0.3418-0.0000 ( 4614 PWs) bands (ev): -43.0520 -43.0520 -15.3126 -15.3126 -15.1664 -15.1664 -15.1025 -15.1025 -12.0601 -12.0601 -11.6538 -11.6538 -11.5571 -11.5571 -8.7459 -8.7459 0.6877 0.6877 1.2432 1.2432 1.6984 1.6984 2.2294 2.2294 2.7786 2.7786 2.8173 2.8173 3.1746 3.1746 3.3008 3.3008 3.6040 3.6040 3.9029 3.9029 4.2799 4.2799 4.6374 4.6374 13.0837 13.0837 k = 0.3176 0.3518-0.0000 ( 4622 PWs) bands (ev): -43.0520 -43.0520 -15.3160 -15.3160 -15.1708 -15.1708 -15.1032 -15.1032 -12.0346 -12.0346 -11.6554 -11.6554 -11.5589 -11.5589 -8.7562 -8.7562 0.6802 0.6802 1.2183 1.2183 1.7417 1.7417 2.2275 2.2275 2.7506 2.7506 2.7660 2.7660 3.1910 3.1910 3.2876 3.2876 3.6165 3.6165 3.9245 3.9245 4.2691 4.2691 4.6240 4.6240 13.1520 13.1520 k = 0.3267 0.3619-0.0000 ( 4622 PWs) bands (ev): -43.0520 -43.0520 -15.3192 -15.3192 -15.1750 -15.1750 -15.1039 -15.1039 -12.0100 -12.0100 -11.6569 -11.6569 -11.5605 -11.5605 -8.7659 -8.7659 0.6692 0.6692 1.1918 1.1918 1.7867 1.7867 2.2265 2.2265 2.6872 2.6872 2.7529 2.7529 3.2046 3.2046 3.2770 3.2770 3.6300 3.6300 3.9359 3.9359 4.2705 4.2705 4.6121 4.6121 13.2196 13.2196 k = 0.3357 0.3719-0.0000 ( 4626 PWs) bands (ev): -43.0520 -43.0520 -15.3225 -15.3225 -15.1791 -15.1791 -15.1045 -15.1045 -11.9863 -11.9863 -11.6583 -11.6583 -11.5617 -11.5617 -8.7751 -8.7751 0.6546 0.6546 1.1651 1.1651 1.8332 1.8332 2.2257 2.2257 2.6267 2.6267 2.7405 2.7405 3.2118 3.2118 3.2727 3.2727 3.6444 3.6444 3.9343 3.9343 4.2859 4.2859 4.6019 4.6019 13.2863 13.2863 k = 0.3448 0.3820-0.0000 ( 4626 PWs) bands (ev): -43.0520 -43.0520 -15.3255 -15.3255 -15.1830 -15.1830 -15.1050 -15.1050 -11.9638 -11.9638 -11.6597 -11.6597 -11.5625 -11.5625 -8.7837 -8.7837 0.6367 0.6367 1.1394 1.1394 1.8810 1.8810 2.2244 2.2244 2.5695 2.5695 2.7286 2.7286 3.2088 3.2088 3.2783 3.2783 3.6596 3.6596 3.9203 3.9203 4.3130 4.3130 4.5945 4.5945 13.3519 13.3519 k = 0.3539 0.3920-0.0000 ( 4628 PWs) bands (ev): -43.0520 -43.0520 -15.3285 -15.3285 -15.1868 -15.1868 -15.1056 -15.1056 -11.9424 -11.9424 -11.6610 -11.6610 -11.5628 -11.5628 -8.7918 -8.7918 0.6156 0.6156 1.1154 1.1154 1.9299 1.9299 2.2219 2.2219 2.5162 2.5162 2.7172 2.7172 3.1983 3.1983 3.2910 3.2910 3.6754 3.6754 3.8969 3.8969 4.3467 4.3467 4.5912 4.5912 13.4161 13.4161 k = 0.3630 0.4021-0.0000 ( 4620 PWs) bands (ev): -43.0520 -43.0520 -15.3314 -15.3314 -15.1903 -15.1903 -15.1060 -15.1060 -11.9224 -11.9224 -11.6623 -11.6623 -11.5626 -11.5626 -8.7994 -8.7994 0.5918 0.5918 1.0937 1.0937 1.9796 1.9796 2.2177 2.2177 2.4674 2.4674 2.7064 2.7064 3.1842 3.1842 3.3066 3.3066 3.6917 3.6917 3.8671 3.8671 4.3808 4.3808 4.5949 4.5949 13.4786 13.4786 k = 0.3720 0.4122-0.0000 ( 4616 PWs) bands (ev): -43.0519 -43.0519 -15.3341 -15.3341 -15.1936 -15.1936 -15.1064 -15.1064 -11.9039 -11.9039 -11.6634 -11.6634 -11.5618 -11.5618 -8.8064 -8.8064 0.5659 0.5659 1.0742 1.0742 2.0298 2.0298 2.2112 2.2112 2.4238 2.4238 2.6961 2.6961 3.1684 3.1684 3.3231 3.3231 3.7083 3.7083 3.8334 3.8334 4.4086 4.4086 4.6090 4.6090 13.5390 13.5390 k = 0.3811 0.4222-0.0000 ( 4612 PWs) bands (ev): -43.0519 -43.0519 -15.3367 -15.3367 -15.1968 -15.1968 -15.1068 -15.1068 -11.8868 -11.8868 -11.6645 -11.6645 -11.5605 -11.5605 -8.8130 -8.8130 0.5385 0.5385 1.0572 1.0572 2.0799 2.0799 2.2021 2.2021 2.3865 2.3865 2.6863 2.6863 3.1515 3.1515 3.3397 3.3397 3.7252 3.7252 3.7974 3.7974 4.4259 4.4259 4.6360 4.6360 13.5971 13.5971 k = 0.3902 0.4323-0.0000 ( 4608 PWs) bands (ev): -43.0519 -43.0519 -15.3391 -15.3391 -15.1997 -15.1997 -15.1071 -15.1071 -11.8714 -11.8714 -11.6656 -11.6656 -11.5586 -11.5586 -8.8190 -8.8190 0.5103 0.5103 1.0423 1.0423 2.1270 2.1270 2.1924 2.1924 2.3563 2.3563 2.6772 2.6772 3.1337 3.1337 3.3558 3.3558 3.7421 3.7421 3.7603 3.7603 4.4329 4.4329 4.6740 4.6740 13.6524 13.6524 k = 0.3993 0.4423-0.0000 ( 4604 PWs) bands (ev): -43.0519 -43.0519 -15.3414 -15.3414 -15.2024 -15.2024 -15.1074 -15.1074 -11.8577 -11.8577 -11.6665 -11.6665 -11.5562 -11.5562 -8.8245 -8.8245 0.4820 0.4820 1.0294 1.0294 2.1500 2.1500 2.2027 2.2027 2.3332 2.3332 2.6687 2.6687 3.1150 3.1150 3.3712 3.3712 3.7224 3.7224 3.7592 3.7592 4.4328 4.4328 4.7185 4.7185 13.7045 13.7045 k = 0.4083 0.4524-0.0000 ( 4596 PWs) bands (ev): -43.0519 -43.0519 -15.3435 -15.3435 -15.2049 -15.2049 -15.1077 -15.1077 -11.8455 -11.8455 -11.6674 -11.6674 -11.5534 -11.5534 -8.8295 -8.8295 0.4543 0.4543 1.0183 1.0183 2.1367 2.1367 2.2460 2.2460 2.3172 2.3172 2.6609 2.6609 3.0951 3.0951 3.3858 3.3858 3.6854 3.6854 3.7758 3.7758 4.4287 4.4287 4.7657 4.7657 13.7531 13.7531 k = 0.4174 0.4624-0.0000 ( 4592 PWs) bands (ev): -43.0519 -43.0519 -15.3454 -15.3454 -15.2071 -15.2071 -15.1080 -15.1080 -11.8350 -11.8350 -11.6682 -11.6682 -11.5501 -11.5501 -8.8341 -8.8341 0.4276 0.4276 1.0087 1.0087 2.1151 2.1151 2.2884 2.2884 2.3133 2.3133 2.6537 2.6537 3.0740 3.0740 3.3993 3.3993 3.6494 3.6494 3.7919 3.7919 4.4223 4.4223 4.8128 4.8128 13.7979 13.7979 k = 0.4265 0.4725-0.0000 ( 4592 PWs) bands (ev): -43.0518 -43.0518 -15.3472 -15.3472 -15.2092 -15.2092 -15.1082 -15.1082 -11.8259 -11.8259 -11.6689 -11.6689 -11.5466 -11.5466 -8.8381 -8.8381 0.4026 0.4026 1.0005 1.0005 2.0923 2.0923 2.2911 2.2911 2.3537 2.3537 2.6472 2.6472 3.0512 3.0512 3.4116 3.4116 3.6151 3.6151 3.8073 3.8073 4.4150 4.4150 4.8581 4.8581 13.8383 13.8383 k = 0.4356 0.4825-0.0000 ( 4584 PWs) bands (ev): -43.0518 -43.0518 -15.3487 -15.3487 -15.2110 -15.2110 -15.1084 -15.1084 -11.8183 -11.8183 -11.6696 -11.6696 -11.5430 -11.5430 -8.8417 -8.8417 0.3796 0.3796 0.9935 0.9935 2.0702 2.0702 2.2857 2.2857 2.4047 2.4047 2.6415 2.6415 3.0267 3.0267 3.4227 3.4227 3.5832 3.5832 3.8219 3.8219 4.4073 4.4073 4.9003 4.9003 13.8740 13.8740 k = 0.4446 0.4926-0.0000 ( 4590 PWs) bands (ev): -43.0518 -43.0518 -15.3501 -15.3501 -15.2126 -15.2126 -15.1086 -15.1086 -11.8120 -11.8120 -11.6701 -11.6701 -11.5395 -11.5395 -8.8448 -8.8448 0.3590 0.3590 0.9877 0.9877 2.0500 2.0500 2.2811 2.2811 2.4561 2.4561 2.6365 2.6365 3.0001 3.0001 3.4325 3.4325 3.5542 3.5542 3.8352 3.8352 4.3998 4.3998 4.9385 4.9385 13.9048 13.9048 k = 0.4537 0.5026-0.0000 ( 4582 PWs) bands (ev): -43.0518 -43.0518 -15.3513 -15.3513 -15.2139 -15.2139 -15.1087 -15.1087 -11.8070 -11.8070 -11.6706 -11.6706 -11.5361 -11.5361 -8.8474 -8.8474 0.3410 0.3410 0.9828 0.9828 2.0321 2.0321 2.2774 2.2774 2.5069 2.5069 2.6322 2.6322 2.9713 2.9713 3.4409 3.4409 3.5288 3.5288 3.8471 3.8471 4.3928 4.3928 4.9721 4.9721 13.9305 13.9305 k = 0.4537 0.5026-0.0000 ( 4582 PWs) bands (ev): -43.0518 -43.0518 -15.3513 -15.3513 -15.2139 -15.2139 -15.1087 -15.1087 -11.8070 -11.8070 -11.6706 -11.6706 -11.5361 -11.5361 -8.8474 -8.8474 0.3410 0.3410 0.9828 0.9828 2.0321 2.0321 2.2774 2.2774 2.5069 2.5069 2.6322 2.6322 2.9713 2.9713 3.4409 3.4409 3.5288 3.5288 3.8471 3.8471 4.3928 4.3928 4.9721 4.9721 13.9305 13.9305 k = 0.4404 0.5026-0.0000 ( 4590 PWs) bands (ev): -43.0518 -43.0518 -15.3505 -15.3505 -15.2130 -15.2130 -15.1086 -15.1086 -11.8111 -11.8111 -11.6698 -11.6698 -11.5383 -11.5383 -8.8455 -8.8455 0.3526 0.3526 0.9863 0.9863 2.0436 2.0436 2.2807 2.2807 2.4673 2.4673 2.6381 2.6381 2.9939 2.9939 3.4353 3.4353 3.5452 3.5452 3.8392 3.8392 4.3965 4.3965 4.9508 4.9508 13.9137 13.9137 k = 0.4270 0.5026-0.0000 ( 4590 PWs) bands (ev): -43.0518 -43.0518 -15.3495 -15.3495 -15.2118 -15.2118 -15.1085 -15.1085 -11.8174 -11.8174 -11.6683 -11.6683 -11.5406 -11.5406 -8.8428 -8.8428 0.3654 0.3654 0.9908 0.9908 2.0561 2.0561 2.2862 2.2862 2.4219 2.4219 2.6442 2.6442 3.0221 3.0221 3.4286 3.4286 3.5635 3.5635 3.8303 3.8303 4.3989 4.3989 4.9281 4.9281 13.8939 13.8939 k = 0.4137 0.5026-0.0000 ( 4591 PWs) bands (ev): -43.0518 -43.0518 -15.3483 -15.3483 -15.2102 -15.2102 -15.1083 -15.1083 -11.8256 -11.8256 -11.6662 -11.6662 -11.5428 -11.5428 -8.8394 -8.8394 0.3794 0.3794 0.9965 0.9965 2.0694 2.0694 2.2935 2.2935 2.3756 2.3756 2.6469 2.6469 3.0552 3.0552 3.4208 3.4208 3.5832 3.5832 3.8205 3.8205 4.3997 4.3997 4.9042 4.9042 13.8707 13.8707 k = 0.4003 0.5026-0.0000 ( 4598 PWs) bands (ev): -43.0519 -43.0519 -15.3471 -15.3471 -15.2085 -15.2085 -15.1081 -15.1081 -11.8353 -11.8353 -11.6642 -11.6642 -11.5450 -11.5450 -8.8353 -8.8353 0.3945 0.3945 1.0035 1.0035 2.0832 2.0832 2.2988 2.2988 2.3337 2.3337 2.6458 2.6458 3.0921 3.0921 3.4119 3.4119 3.6043 3.6043 3.8100 3.8100 4.3988 4.3988 4.8795 4.8795 13.8441 13.8441 k = 0.3870 0.5026-0.0000 ( 4602 PWs) bands (ev): -43.0519 -43.0519 -15.3457 -15.3457 -15.2064 -15.2064 -15.1078 -15.1078 -11.8463 -11.8463 -11.6623 -11.6623 -11.5470 -11.5470 -8.8307 -8.8307 0.4106 0.4106 1.0119 1.0119 2.0972 2.0972 2.2740 2.2740 2.3254 2.3254 2.6414 2.6414 3.1316 3.1316 3.4018 3.4018 3.6264 3.6264 3.7987 3.7987 4.3959 4.3959 4.8545 4.8545 13.8142 13.8142 k = 0.3736 0.5026-0.0000 ( 4606 PWs) bands (ev): -43.0519 -43.0519 -15.3442 -15.3442 -15.2040 -15.2040 -15.1075 -15.1075 -11.8583 -11.8583 -11.6610 -11.6610 -11.5486 -11.5486 -8.8254 -8.8254 0.4278 0.4278 1.0218 1.0218 2.1106 2.1106 2.2320 2.2320 2.3385 2.3385 2.6344 2.6344 3.1726 3.1726 3.3907 3.3907 3.6494 3.6494 3.7869 3.7869 4.3909 4.3909 4.8296 4.8296 13.7813 13.7813 k = 0.3603 0.5026-0.0000 ( 4613 PWs) bands (ev): -43.0519 -43.0519 -15.3427 -15.3427 -15.2014 -15.2014 -15.1071 -15.1071 -11.8712 -11.8712 -11.6604 -11.6604 -11.5497 -11.5497 -8.8195 -8.8195 0.4458 0.4458 1.0332 1.0332 2.1211 2.1211 2.1922 2.1922 2.3560 2.3560 2.6253 2.6253 3.2140 3.2140 3.3787 3.3787 3.6726 3.6726 3.7749 3.7749 4.3836 4.3836 4.8053 4.8053 13.7455 13.7455 k = 0.3469 0.5026-0.0000 ( 4615 PWs) bands (ev): -43.0519 -43.0519 -15.3411 -15.3411 -15.1984 -15.1984 -15.1067 -15.1067 -11.8847 -11.8847 -11.6607 -11.6607 -11.5504 -11.5504 -8.8132 -8.8132 0.4646 0.4646 1.0462 1.0462 2.1173 2.1173 2.1676 2.1676 2.3761 2.3761 2.6148 2.6148 3.2543 3.2543 3.3667 3.3667 3.6949 3.6949 3.7638 3.7638 4.3737 4.3737 4.7822 4.7822 13.7071 13.7071 k = 0.3336 0.5026-0.0000 ( 4615 PWs) bands (ev): -43.0519 -43.0519 -15.3395 -15.3395 -15.1952 -15.1952 -15.1061 -15.1061 -11.8987 -11.8987 -11.6619 -11.6619 -11.5506 -11.5506 -8.8065 -8.8065 0.4842 0.4842 1.0610 1.0610 2.0877 2.0877 2.1700 2.1700 2.3985 2.3985 2.6032 2.6032 3.2896 3.2896 3.3579 3.3579 3.7122 3.7122 3.7576 3.7576 4.3612 4.3612 4.7607 4.7607 13.6667 13.6667 k = 0.3203 0.5026-0.0000 ( 4613 PWs) bands (ev): -43.0519 -43.0519 -15.3380 -15.3380 -15.1918 -15.1918 -15.1054 -15.1054 -11.9131 -11.9131 -11.6639 -11.6639 -11.5503 -11.5503 -8.7993 -8.7993 0.5043 0.5043 1.0775 1.0775 2.0502 2.0502 2.1813 2.1813 2.4228 2.4228 2.5910 2.5910 3.3059 3.3059 3.3660 3.3660 3.7145 3.7145 3.7660 3.7660 4.3460 4.3460 4.7412 4.7412 13.6246 13.6246 k = 0.3069 0.5026-0.0000 ( 4609 PWs) bands (ev): -43.0519 -43.0519 -15.3365 -15.3365 -15.1881 -15.1881 -15.1046 -15.1046 -11.9279 -11.9279 -11.6668 -11.6668 -11.5495 -11.5495 -8.7919 -8.7919 0.5249 0.5249 1.0958 1.0958 2.0124 2.0124 2.1944 2.1944 2.4488 2.4488 2.5783 2.5783 3.2978 3.2978 3.3958 3.3958 3.7044 3.7044 3.7863 3.7863 4.3286 4.3286 4.7241 4.7241 13.5811 13.5811 k = 0.2936 0.5026-0.0000 ( 4613 PWs) bands (ev): -43.0520 -43.0520 -15.3350 -15.3350 -15.1843 -15.1843 -15.1037 -15.1037 -11.9428 -11.9428 -11.6704 -11.6704 -11.5483 -11.5483 -8.7841 -8.7841 0.5459 0.5459 1.1160 1.1160 1.9756 1.9756 2.2077 2.2077 2.4762 2.4762 2.5654 2.5654 3.2809 3.2809 3.4312 3.4312 3.6901 3.6901 3.8096 3.8096 4.3094 4.3094 4.7095 4.7095 13.5367 13.5367 k = 0.2802 0.5026-0.0000 ( 4615 PWs) bands (ev): -43.0520 -43.0520 -15.3337 -15.3337 -15.1804 -15.1804 -15.1026 -15.1026 -11.9579 -11.9579 -11.6746 -11.6746 -11.5469 -11.5469 -8.7762 -8.7762 0.5671 0.5671 1.1379 1.1379 1.9404 1.9404 2.2208 2.2208 2.5046 2.5046 2.5526 2.5526 3.2610 3.2610 3.4664 3.4664 3.6743 3.6743 3.8332 3.8332 4.2890 4.2890 4.6973 4.6973 13.4917 13.4917 k = 0.2669 0.5026-0.0000 ( 4613 PWs) bands (ev): -43.0520 -43.0520 -15.3324 -15.3324 -15.1764 -15.1764 -15.1013 -15.1013 -11.9730 -11.9730 -11.6793 -11.6793 -11.5453 -11.5453 -8.7681 -8.7681 0.5885 0.5885 1.1617 1.1617 1.9070 1.9070 2.2335 2.2335 2.5308 2.5308 2.5428 2.5428 3.2391 3.2391 3.4993 3.4993 3.6580 3.6580 3.8558 3.8558 4.2685 4.2685 4.6876 4.6876 13.4465 13.4465 k = 0.2535 0.5026-0.0000 ( 4617 PWs) bands (ev): -43.0520 -43.0520 -15.3312 -15.3312 -15.1725 -15.1725 -15.0999 -15.0999 -11.9881 -11.9881 -11.6843 -11.6843 -11.5436 -11.5436 -8.7600 -8.7600 0.6099 0.6099 1.1872 1.1872 1.8757 1.8757 2.2456 2.2456 2.5252 2.5252 2.5657 2.5657 3.2159 3.2159 3.5279 3.5279 3.6429 3.6429 3.8764 3.8764 4.2492 4.2492 4.6800 4.6800 13.4015 13.4015 k = 0.2402 0.5026-0.0000 ( 4617 PWs) bands (ev): -43.0520 -43.0520 -15.3302 -15.3302 -15.1685 -15.1685 -15.0981 -15.0981 -12.0030 -12.0030 -11.6896 -11.6896 -11.5418 -11.5418 -8.7519 -8.7519 0.6312 0.6312 1.2142 1.2142 1.8465 1.8465 2.2570 2.2570 2.5130 2.5130 2.5958 2.5958 3.1915 3.1915 3.5473 3.5473 3.6335 3.6335 3.8942 3.8942 4.2322 4.2322 4.6745 4.6745 13.3568 13.3568 k = 0.2269 0.5026-0.0000 ( 4615 PWs) bands (ev): -43.0520 -43.0520 -15.3292 -15.3292 -15.1648 -15.1648 -15.0962 -15.0962 -12.0177 -12.0177 -11.6951 -11.6951 -11.5400 -11.5400 -8.7438 -8.7438 0.6523 0.6523 1.2427 1.2427 1.8196 1.8196 2.2676 2.2676 2.5008 2.5008 2.6261 2.6261 3.1664 3.1664 3.5497 3.5497 3.6376 3.6376 3.9082 3.9082 4.2189 4.2189 4.6708 4.6708 13.3129 13.3129 k = 0.2135 0.5026-0.0000 ( 4615 PWs) bands (ev): -43.0520 -43.0520 -15.3283 -15.3283 -15.1612 -15.1612 -15.0939 -15.0939 -12.0321 -12.0321 -11.7006 -11.7006 -11.5383 -11.5383 -8.7358 -8.7358 0.6730 0.6730 1.2723 1.2723 1.7953 1.7953 2.2773 2.2773 2.4891 2.4891 2.6563 2.6563 3.1407 3.1407 3.5355 3.5355 3.6544 3.6544 3.9176 3.9176 4.2103 4.2103 4.6687 4.6687 13.2700 13.2700 k = 0.2002 0.5026-0.0000 ( 4617 PWs) bands (ev): -43.0521 -43.0521 -15.3275 -15.3275 -15.1579 -15.1579 -15.0914 -15.0914 -12.0462 -12.0462 -11.7061 -11.7060 -11.5366 -11.5366 -8.7279 -8.7279 0.6933 0.6933 1.3028 1.3028 1.7738 1.7738 2.2858 2.2858 2.4778 2.4778 2.6860 2.6860 3.1147 3.1147 3.5128 3.5128 3.6760 3.6760 3.9221 3.9221 4.2070 4.2070 4.6681 4.6681 13.2283 13.2283 k = 0.1868 0.5026-0.0000 ( 4615 PWs) bands (ev): -43.0521 -43.0521 -15.3268 -15.3268 -15.1548 -15.1548 -15.0886 -15.0886 -12.0597 -12.0597 -11.7114 -11.7114 -11.5350 -11.5350 -8.7203 -8.7203 0.7131 0.7131 1.3336 1.3336 1.7554 1.7554 2.2930 2.2930 2.4670 2.4670 2.7148 2.7148 3.0887 3.0887 3.4858 3.4858 3.6983 3.6983 3.9223 3.9223 4.2087 4.2087 4.6688 4.6688 13.1881 13.1881 k = 0.1735 0.5026-0.0000 ( 4613 PWs) bands (ev): -43.0521 -43.0521 -15.3261 -15.3261 -15.1521 -15.1521 -15.0857 -15.0857 -12.0728 -12.0728 -11.7167 -11.7167 -11.5336 -11.5336 -8.7130 -8.7130 0.7321 0.7321 1.3643 1.3643 1.7405 1.7405 2.2988 2.2988 2.4568 2.4568 2.7426 2.7426 3.0631 3.0631 3.4562 3.4562 3.7198 3.7198 3.9190 3.9190 4.2144 4.2144 4.6707 4.6707 13.1496 13.1496 k = 0.1601 0.5026-0.0000 ( 4615 PWs) bands (ev): -43.0521 -43.0521 -15.3256 -15.3256 -15.1497 -15.1497 -15.0825 -15.0825 -12.0852 -12.0852 -11.7217 -11.7217 -11.5322 -11.5322 -8.7060 -8.7060 0.7503 0.7503 1.3940 1.3940 1.7297 1.7297 2.3030 2.3030 2.4472 2.4472 2.7688 2.7688 3.0381 3.0381 3.4249 3.4249 3.7400 3.7400 3.9135 3.9135 4.2228 4.2228 4.6736 4.6736 13.1129 13.1129 k = 0.1468 0.5026-0.0000 ( 4616 PWs) bands (ev): -43.0521 -43.0521 -15.3252 -15.3252 -15.1476 -15.1476 -15.0793 -15.0793 -12.0970 -12.0970 -11.7265 -11.7265 -11.5310 -11.5310 -8.6993 -8.6993 0.7675 0.7675 1.4218 1.4218 1.7236 1.7236 2.3055 2.3055 2.4383 2.4383 2.7930 2.7930 3.0144 3.0144 3.3927 3.3927 3.7587 3.7587 3.9067 3.9067 4.2328 4.2328 4.6775 4.6775 13.0784 13.0784 k = 0.1334 0.5026-0.0000 ( 4610 PWs) bands (ev): -43.0521 -43.0521 -15.3247 -15.3247 -15.1458 -15.1458 -15.0760 -15.0760 -12.1079 -12.1079 -11.7311 -11.7311 -11.5298 -11.5298 -8.6931 -8.6931 0.7837 0.7837 1.4467 1.4467 1.7229 1.7229 2.3062 2.3062 2.4301 2.4301 2.8147 2.8147 2.9927 2.9927 3.3603 3.3603 3.7758 3.7758 3.8997 3.8997 4.2433 4.2433 4.6820 4.6820 13.0460 13.0460 k = 0.1201 0.5026-0.0000 ( 4616 PWs) bands (ev): -43.0521 -43.0521 -15.3244 -15.3244 -15.1443 -15.1443 -15.0728 -15.0728 -12.1181 -12.1181 -11.7352 -11.7352 -11.5288 -11.5288 -8.6874 -8.6874 0.7987 0.7987 1.4675 1.4675 1.7282 1.7282 2.3049 2.3049 2.4226 2.4226 2.8329 2.8329 2.9738 2.9738 3.3282 3.3282 3.7912 3.7912 3.8928 3.8928 4.2537 4.2537 4.6871 4.6871 13.0162 13.0162 k = 0.1068 0.5026-0.0000 ( 4619 PWs) bands (ev): -43.0521 -43.0521 -15.3241 -15.3241 -15.1430 -15.1430 -15.0697 -15.0697 -12.1274 -12.1274 -11.7391 -11.7391 -11.5279 -11.5279 -8.6821 -8.6821 0.8123 0.8123 1.4838 1.4838 1.7397 1.7397 2.3017 2.3017 2.4158 2.4158 2.8461 2.8461 2.9595 2.9595 3.2973 3.2973 3.8048 3.8048 3.8866 3.8866 4.2634 4.2634 4.6926 4.6926 12.9889 12.9889 k = 0.0934 0.5026-0.0000 ( 4622 PWs) bands (ev): -43.0521 -43.0521 -15.3239 -15.3239 -15.1419 -15.1419 -15.0667 -15.0667 -12.1357 -12.1357 -11.7425 -11.7425 -11.5272 -11.5272 -8.6774 -8.6774 0.8245 0.8245 1.4956 1.4956 1.7565 1.7565 2.2966 2.2966 2.4098 2.4098 2.8524 2.8524 2.9516 2.9516 3.2683 3.2683 3.8166 3.8166 3.8812 3.8812 4.2721 4.2721 4.6981 4.6981 12.9644 12.9644 k = 0.0801 0.5026-0.0000 ( 4620 PWs) bands (ev): -43.0521 -43.0521 -15.3237 -15.3237 -15.1410 -15.1410 -15.0640 -15.0640 -12.1431 -12.1431 -11.7455 -11.7455 -11.5265 -11.5265 -8.6732 -8.6732 0.8353 0.8353 1.5036 1.5036 1.7772 1.7772 2.2898 2.2898 2.4045 2.4045 2.8516 2.8516 2.9507 2.9507 3.2417 3.2417 3.8265 3.8265 3.8769 3.8769 4.2797 4.2797 4.7035 4.7035 12.9428 12.9428 k = 0.0667 0.5026-0.0000 ( 4616 PWs) bands (ev): -43.0521 -43.0521 -15.3235 -15.3235 -15.1403 -15.1403 -15.0616 -15.0616 -12.1494 -12.1494 -11.7481 -11.7481 -11.5260 -11.5260 -8.6697 -8.6697 0.8445 0.8445 1.5087 1.5087 1.7998 1.7998 2.2816 2.2816 2.4000 2.4000 2.8456 2.8456 2.9548 2.9548 3.2182 3.2182 3.8344 3.8344 3.8738 3.8738 4.2861 4.2861 4.7085 4.7085 12.9243 12.9243 k = 0.0534 0.5026-0.0000 ( 4622 PWs) bands (ev): -43.0522 -43.0522 -15.3234 -15.3234 -15.1398 -15.1398 -15.0596 -15.0596 -12.1546 -12.1546 -11.7503 -11.7503 -11.5255 -11.5255 -8.6667 -8.6667 0.8521 0.8521 1.5119 1.5119 1.8224 1.8224 2.2727 2.2727 2.3963 2.3963 2.8377 2.8377 2.9609 2.9609 3.1983 3.1983 3.8401 3.8401 3.8720 3.8720 4.2913 4.2913 4.7130 4.7130 12.9089 12.9089 k = 0.0400 0.5026-0.0000 ( 4629 PWs) bands (ev): -43.0522 -43.0522 -15.3233 -15.3233 -15.1394 -15.1394 -15.0580 -15.0580 -12.1587 -12.1587 -11.7520 -11.7520 -11.5252 -11.5252 -8.6644 -8.6644 0.8580 0.8580 1.5138 1.5138 1.8430 1.8430 2.2639 2.2639 2.3935 2.3935 2.8301 2.8301 2.9670 2.9670 3.1823 3.1823 3.8438 3.8438 3.8715 3.8715 4.2952 4.2952 4.7166 4.7166 12.8969 12.8969 k = 0.0267 0.5026-0.0000 ( 4630 PWs) bands (ev): -43.0522 -43.0522 -15.3232 -15.3232 -15.1391 -15.1391 -15.0569 -15.0569 -12.1616 -12.1616 -11.7532 -11.7532 -11.5249 -11.5249 -8.6628 -8.6628 0.8622 0.8622 1.5149 1.5149 1.8595 1.8595 2.2563 2.2563 2.3914 2.3914 2.8239 2.8239 2.9719 2.9719 3.1707 3.1707 3.8457 3.8457 3.8717 3.8717 4.2981 4.2981 4.7194 4.7194 12.8882 12.8882 k = 0.0133 0.5026-0.0000 ( 4628 PWs) bands (ev): -43.0522 -43.0522 -15.3232 -15.3232 -15.1389 -15.1389 -15.0562 -15.0562 -12.1634 -12.1634 -11.7539 -11.7539 -11.5248 -11.5248 -8.6618 -8.6618 0.8648 0.8648 1.5155 1.5155 1.8703 1.8703 2.2512 2.2512 2.3901 2.3901 2.8200 2.8200 2.9750 2.9750 3.1636 3.1636 3.8466 3.8466 3.8723 3.8723 4.2997 4.2997 4.7211 4.7211 12.8830 12.8830 k = 0.0000 0.5026-0.0000 ( 4626 PWs) bands (ev): -43.0522 -43.0522 -15.3232 -15.3232 -15.1388 -15.1388 -15.0559 -15.0559 -12.1640 -12.1640 -11.7542 -11.7542 -11.5247 -11.5247 -8.6614 -8.6614 0.8656 0.8656 1.5157 1.5157 1.8740 1.8740 2.2493 2.2493 2.3897 2.3897 2.8187 2.8187 2.9761 2.9761 3.1612 3.1612 3.8468 3.8468 3.8725 3.8725 4.3003 4.3003 4.7216 4.7216 12.8812 12.8812 k = 0.0000 0.5026-0.0000 ( 4626 PWs) bands (ev): -43.0522 -43.0522 -15.3232 -15.3232 -15.1388 -15.1388 -15.0559 -15.0559 -12.1640 -12.1640 -11.7542 -11.7542 -11.5247 -11.5247 -8.6614 -8.6614 0.8656 0.8656 1.5157 1.5157 1.8740 1.8740 2.2493 2.2493 2.3897 2.3897 2.8187 2.8187 2.9761 2.9761 3.1612 3.1612 3.8468 3.8468 3.8725 3.8725 4.3003 4.3003 4.7216 4.7216 12.8812 12.8812 k = 0.0000 0.5026 0.0136 ( 4618 PWs) bands (ev): -43.0522 -43.0522 -15.3232 -15.3232 -15.1391 -15.1391 -15.0560 -15.0560 -12.1633 -12.1633 -11.7539 -11.7539 -11.5245 -11.5245 -8.6616 -8.6616 0.8653 0.8653 1.5135 1.5135 1.8688 1.8688 2.2498 2.2498 2.3914 2.3914 2.8221 2.8221 2.9743 2.9743 3.1643 3.1643 3.8465 3.8465 3.8721 3.8721 4.3006 4.3006 4.7206 4.7206 12.8845 12.8845 k = 0.0000 0.5026 0.0272 ( 4622 PWs) bands (ev): -43.0522 -43.0522 -15.3234 -15.3234 -15.1401 -15.1401 -15.0565 -15.0565 -12.1613 -12.1613 -11.7532 -11.7532 -11.5236 -11.5236 -8.6621 -8.6621 0.8642 0.8642 1.5068 1.5068 1.8538 1.8538 2.2514 2.2514 2.3958 2.3958 2.8319 2.8319 2.9692 2.9692 3.1732 3.1732 3.8454 3.8454 3.8710 3.8710 4.3014 4.3014 4.7175 4.7175 12.8942 12.8942 k = 0.0000 0.5026 0.0407 ( 4626 PWs) bands (ev): -43.0522 -43.0522 -15.3236 -15.3236 -15.1417 -15.1417 -15.0573 -15.0573 -12.1580 -12.1580 -11.7519 -11.7519 -11.5223 -11.5223 -8.6630 -8.6630 0.8623 0.8623 1.4963 1.4963 1.8300 1.8300 2.2539 2.2539 2.4022 2.4022 2.8475 2.8475 2.9610 2.9610 3.1878 3.1878 3.8431 3.8431 3.8697 3.8697 4.3025 4.3025 4.7126 4.7126 12.9104 12.9104 k = 0.0000 0.5026 0.0543 ( 4624 PWs) bands (ev): -43.0521 -43.0521 -15.3240 -15.3240 -15.1439 -15.1439 -15.0582 -15.0582 -12.1534 -12.1534 -11.7502 -11.7502 -11.5204 -11.5204 -8.6642 -8.6642 0.8592 0.8592 1.4827 1.4827 1.7991 1.7991 2.2574 2.2574 2.4093 2.4093 2.8671 2.8671 2.9511 2.9511 3.2078 3.2078 3.8393 3.8393 3.8687 3.8687 4.3037 4.3037 4.7059 4.7059 12.9327 12.9327 k = 0.0000 0.5026 0.0679 ( 4622 PWs) bands (ev): -43.0521 -43.0521 -15.3245 -15.3245 -15.1468 -15.1468 -15.0594 -15.0594 -12.1476 -12.1476 -11.7480 -11.7480 -11.5180 -11.5180 -8.6658 -8.6658 0.8547 0.8547 1.4668 1.4668 1.7626 1.7626 2.2619 2.2619 2.4162 2.4162 2.8858 2.8858 2.9439 2.9439 3.2327 3.2327 3.8335 3.8335 3.8685 3.8685 4.3047 4.3047 4.6979 4.6979 12.9610 12.9610 k = 0.0000 0.5026 0.0815 ( 4624 PWs) bands (ev): -43.0521 -43.0521 -15.3251 -15.3251 -15.1504 -15.1504 -15.0607 -15.0607 -12.1406 -12.1406 -11.7453 -11.7453 -11.5150 -11.5150 -8.6677 -8.6677 0.8483 0.8483 1.4497 1.4497 1.7221 1.7221 2.2673 2.2673 2.4218 2.4218 2.8892 2.8892 2.9529 2.9529 3.2619 3.2619 3.8258 3.8258 3.8694 3.8694 4.3050 4.3050 4.6888 4.6888 12.9949 12.9949 k = 0.0000 0.5026 0.0951 ( 4628 PWs) bands (ev): -43.0521 -43.0521 -15.3259 -15.3259 -15.1546 -15.1546 -15.0620 -15.0620 -12.1326 -12.1326 -11.7422 -11.7422 -11.5115 -11.5115 -8.6699 -8.6699 0.8396 0.8396 1.4321 1.4321 1.6792 1.6792 2.2736 2.2736 2.4257 2.4257 2.8746 2.8746 2.9804 2.9804 3.2946 3.2946 3.8163 3.8163 3.8712 3.8712 4.3043 4.3043 4.6793 4.6793 13.0341 13.0341 k = 0.0000 0.5026 0.1087 ( 4634 PWs) bands (ev): -43.0521 -43.0521 -15.3269 -15.3269 -15.1595 -15.1595 -15.0633 -15.0633 -12.1235 -12.1235 -11.7387 -11.7387 -11.5075 -11.5075 -8.6724 -8.6724 0.8281 0.8281 1.4149 1.4149 1.6352 1.6352 2.2809 2.2809 2.4274 2.4274 2.8523 2.8523 3.0158 3.0158 3.3299 3.3299 3.8053 3.8053 3.8740 3.8740 4.3020 4.3020 4.6699 4.6699 13.0781 13.0781 k = 0.0000 0.5026 0.1222 ( 4636 PWs) bands (ev): -43.0521 -43.0521 -15.3282 -15.3282 -15.1649 -15.1649 -15.0647 -15.0647 -12.1136 -12.1136 -11.7347 -11.7347 -11.5029 -11.5029 -8.6752 -8.6752 0.8135 0.8135 1.3981 1.3981 1.5917 1.5917 2.2890 2.2890 2.4270 2.4270 2.8259 2.8259 3.0547 3.0547 3.3669 3.3669 3.7928 3.7928 3.8777 3.8777 4.2978 4.2978 4.6612 4.6612 13.1265 13.1265 k = 0.0000 0.5026 0.1358 ( 4632 PWs) bands (ev): -43.0521 -43.0521 -15.3296 -15.3296 -15.1709 -15.1709 -15.0659 -15.0659 -12.1029 -12.1029 -11.7303 -11.7303 -11.4978 -11.4978 -8.6783 -8.6783 0.7956 0.7956 1.3809 1.3809 1.5512 1.5512 2.2981 2.2981 2.4244 2.4244 2.7968 2.7968 3.0957 3.0957 3.4047 3.4047 3.7792 3.7792 3.8823 3.8823 4.2916 4.2916 4.6537 4.6537 13.1789 13.1789 k = 0.0000 0.5026 0.1494 ( 4634 PWs) bands (ev): -43.0520 -43.0520 -15.3313 -15.3313 -15.1772 -15.1772 -15.0670 -15.0670 -12.0915 -12.0915 -11.7256 -11.7256 -11.4922 -11.4922 -8.6817 -8.6817 0.7741 0.7741 1.3612 1.3612 1.5166 1.5166 2.3080 2.3080 2.4197 2.4197 2.7656 2.7656 3.1379 3.1379 3.4420 3.4420 3.7646 3.7646 3.8873 3.8873 4.2833 4.2833 4.6480 4.6480 13.2346 13.2346 k = 0.0000 0.5026 0.1630 ( 4636 PWs) bands (ev): -43.0520 -43.0520 -15.3334 -15.3334 -15.1839 -15.1839 -15.0680 -15.0680 -12.0795 -12.0795 -11.7205 -11.7205 -11.4860 -11.4860 -8.6854 -8.6854 0.7494 0.7494 1.3359 1.3359 1.4920 1.4920 2.3188 2.3188 2.4131 2.4131 2.7326 2.7326 3.1806 3.1806 3.4779 3.4779 3.7491 3.7491 3.8925 3.8925 4.2737 4.2737 4.6444 4.6444 13.2932 13.2932 k = 0.0000 0.5026 0.1766 ( 4636 PWs) bands (ev): -43.0520 -43.0520 -15.3359 -15.3359 -15.1908 -15.1908 -15.0689 -15.0689 -12.0670 -12.0670 -11.7151 -11.7151 -11.4794 -11.4794 -8.6892 -8.6892 0.7217 0.7217 1.3034 1.3034 1.4794 1.4794 2.3304 2.3304 2.4047 2.4047 2.6982 2.6982 3.2234 3.2234 3.5113 3.5113 3.7328 3.7328 3.8970 3.8970 4.2639 4.2639 4.6431 4.6431 13.3542 13.3542 k = 0.0000 0.5026 0.1902 ( 4632 PWs) bands (ev): -43.0520 -43.0520 -15.3387 -15.3387 -15.1977 -15.1977 -15.0697 -15.0697 -12.0543 -12.0543 -11.7094 -11.7094 -11.4723 -11.4723 -8.6933 -8.6933 0.6914 0.6914 1.2647 1.2647 1.4778 1.4778 2.3427 2.3427 2.3948 2.3948 2.6628 2.6628 3.2657 3.2657 3.5416 3.5416 3.7159 3.7159 3.8994 3.8994 4.2557 4.2557 4.6440 4.6440 13.4171 13.4171 k = 0.0000 0.5026 0.2037 ( 4630 PWs) bands (ev): -43.0519 -43.0519 -15.3421 -15.3421 -15.2045 -15.2045 -15.0703 -15.0703 -12.0413 -12.0413 -11.7035 -11.7035 -11.4647 -11.4647 -8.6976 -8.6976 0.6590 0.6590 1.2225 1.2225 1.4849 1.4849 2.3554 2.3554 2.3838 2.3838 2.6266 2.6266 3.3070 3.3070 3.5679 3.5679 3.6989 3.6989 3.8979 3.8979 4.2512 4.2512 4.6470 4.6470 13.4815 13.4815 k = 0.0000 0.5026 0.2173 ( 4626 PWs) bands (ev): -43.0519 -43.0519 -15.3459 -15.3459 -15.2112 -15.2112 -15.0709 -15.0709 -12.0282 -12.0282 -11.6974 -11.6974 -11.4567 -11.4567 -8.7021 -8.7021 0.6251 0.6251 1.1785 1.1785 1.4985 1.4985 2.3652 2.3652 2.3750 2.3750 2.5901 2.5901 3.3470 3.3470 3.5895 3.5895 3.6821 3.6821 3.8904 3.8904 4.2528 4.2528 4.6519 4.6519 13.5470 13.5470 k = 0.0000 0.5026 0.2309 ( 4630 PWs) bands (ev): -43.0519 -43.0519 -15.3504 -15.3504 -15.2175 -15.2175 -15.0714 -15.0714 -12.0151 -12.0151 -11.6910 -11.6910 -11.4483 -11.4483 -8.7068 -8.7068 0.5902 0.5902 1.1341 1.1341 1.5174 1.5174 2.3559 2.3559 2.3848 2.3848 2.5538 2.5538 3.3847 3.3847 3.6056 3.6056 3.6669 3.6669 3.8759 3.8759 4.2619 4.2619 4.6585 4.6585 13.6132 13.6132 k = 0.0000 0.5026 0.2445 ( 4630 PWs) bands (ev): -43.0518 -43.0518 -15.3554 -15.3554 -15.2234 -15.2234 -15.0719 -15.0719 -12.0022 -12.0022 -11.6846 -11.6846 -11.4395 -11.4395 -8.7115 -8.7115 0.5547 0.5547 1.0900 1.0900 1.5405 1.5405 2.3419 2.3419 2.3982 2.3982 2.5184 2.5184 3.4193 3.4193 3.6136 3.6136 3.6563 3.6563 3.8545 3.8545 4.2784 4.2784 4.6667 4.6667 13.6797 13.6797 k = 0.0000 0.5026 0.2581 ( 4636 PWs) bands (ev): -43.0518 -43.0518 -15.3610 -15.3610 -15.2288 -15.2288 -15.0723 -15.0723 -11.9894 -11.9894 -11.6780 -11.6780 -11.4304 -11.4304 -8.7164 -8.7164 0.5191 0.5191 1.0468 1.0468 1.5674 1.5674 2.3271 2.3271 2.4096 2.4096 2.4862 2.4862 3.4491 3.4491 3.6114 3.6114 3.6536 3.6536 3.8276 3.8276 4.3014 4.3014 4.6762 4.6762 13.7464 13.7464 k = 0.0000 0.5026 0.2716 ( 4638 PWs) bands (ev): -43.0518 -43.0518 -15.3670 -15.3670 -15.2337 -15.2337 -15.0726 -15.0726 -11.9770 -11.9770 -11.6714 -11.6714 -11.4211 -11.4211 -8.7213 -8.7213 0.4837 0.4837 1.0047 1.0047 1.5976 1.5976 2.3117 2.3117 2.4103 2.4103 2.4658 2.4658 3.4711 3.4711 3.6037 3.6037 3.6553 3.6553 3.7984 3.7984 4.3291 4.3291 4.6871 4.6871 13.8128 13.8128 k = 0.0000 0.5026 0.2852 ( 4640 PWs) bands (ev): -43.0518 -43.0518 -15.3736 -15.3736 -15.2380 -15.2380 -15.0728 -15.0728 -11.9649 -11.9649 -11.6648 -11.6648 -11.4115 -11.4115 -8.7262 -8.7262 0.4489 0.4489 0.9640 0.9640 1.6307 1.6307 2.2961 2.2961 2.3896 2.3896 2.4681 2.4681 3.4819 3.4819 3.5953 3.5953 3.6576 3.6576 3.7712 3.7712 4.3598 4.3598 4.6992 4.6992 13.8788 13.8788 k = 0.0000 0.5026 0.2988 ( 4636 PWs) bands (ev): -43.0517 -43.0517 -15.3804 -15.3804 -15.2418 -15.2418 -15.0730 -15.0730 -11.9532 -11.9532 -11.6582 -11.6582 -11.4018 -11.4018 -8.7311 -8.7311 0.4149 0.4149 0.9249 0.9249 1.6664 1.6664 2.2804 2.2804 2.3590 2.3590 2.4817 2.4817 3.4800 3.4800 3.5814 3.5814 3.6631 3.6631 3.7508 3.7508 4.3920 4.3920 4.7127 4.7127 13.9440 13.9440 k = 0.0000 0.5026 0.3124 ( 4640 PWs) bands (ev): -43.0517 -43.0517 -15.3876 -15.3876 -15.2450 -15.2450 -15.0732 -15.0732 -11.9421 -11.9421 -11.6516 -11.6516 -11.3921 -11.3921 -8.7361 -8.7361 0.3819 0.3819 0.8876 0.8876 1.7044 1.7044 2.2647 2.2647 2.3267 2.3267 2.4987 2.4987 3.4686 3.4686 3.5535 3.5535 3.6760 3.6760 3.7394 3.7394 4.4244 4.4244 4.7274 4.7274 14.0081 14.0081 k = 0.0000 0.5026 0.3260 ( 4646 PWs) bands (ev): -43.0517 -43.0517 -15.3950 -15.3950 -15.2479 -15.2479 -15.0733 -15.0733 -11.9314 -11.9314 -11.6452 -11.6452 -11.3824 -11.3824 -8.7409 -8.7409 0.3502 0.3502 0.8521 0.8521 1.7446 1.7446 2.2493 2.2493 2.2946 2.2946 2.5172 2.5172 3.4515 3.4515 3.5126 3.5126 3.6945 3.6945 3.7351 3.7351 4.4558 4.4558 4.7436 4.7436 14.0710 14.0710 k = 0.0000 0.5026 0.3396 ( 4644 PWs) bands (ev): -43.0516 -43.0516 -15.4023 -15.4023 -15.2502 -15.2502 -15.0734 -15.0734 -11.9214 -11.9214 -11.6389 -11.6389 -11.3727 -11.3727 -8.7456 -8.7456 0.3200 0.3200 0.8186 0.8186 1.7867 1.7867 2.2342 2.2342 2.2639 2.2639 2.5365 2.5365 3.4313 3.4313 3.4634 3.4634 3.7137 3.7137 3.7363 3.7363 4.4855 4.4855 4.7612 4.7612 14.1322 14.1322 k = 0.0000 0.5026 0.3531 ( 4640 PWs) bands (ev): -43.0516 -43.0516 -15.4096 -15.4096 -15.2522 -15.2522 -15.0735 -15.0735 -11.9120 -11.9120 -11.6329 -11.6329 -11.3632 -11.3632 -8.7503 -8.7503 0.2913 0.2913 0.7871 0.7871 1.8304 1.8304 2.2189 2.2189 2.2355 2.2355 2.5563 2.5563 3.4081 3.4081 3.4103 3.4103 3.7254 3.7254 3.7473 3.7473 4.5129 4.5129 4.7801 4.7801 14.1914 14.1914 k = 0.0000 0.5026 0.3667 ( 4646 PWs) bands (ev): -43.0516 -43.0516 -15.4168 -15.4168 -15.2539 -15.2539 -15.0735 -15.0735 -11.9033 -11.9033 -11.6271 -11.6271 -11.3540 -11.3540 -8.7547 -8.7547 0.2644 0.2644 0.7577 0.7577 1.8753 1.8753 2.1997 2.1997 2.2138 2.2138 2.5764 2.5764 3.3510 3.3510 3.3867 3.3867 3.7292 3.7292 3.7664 3.7664 4.5374 4.5374 4.8001 4.8001 14.2484 14.2484 k = 0.0000 0.5026 0.3803 ( 4650 PWs) bands (ev): -43.0516 -43.0516 -15.4236 -15.4236 -15.2554 -15.2554 -15.0736 -15.0736 -11.8953 -11.8953 -11.6215 -11.6215 -11.3452 -11.3452 -8.7589 -8.7589 0.2393 0.2393 0.7305 0.7305 1.9208 1.9208 2.1754 2.1754 2.2008 2.2008 2.5967 2.5967 3.2909 3.2909 3.3635 3.3635 3.7313 3.7313 3.7864 3.7864 4.5591 4.5591 4.8209 4.8209 14.3027 14.3027 k = 0.0000 0.5026 0.3939 ( 4646 PWs) bands (ev): -43.0515 -43.0515 -15.4302 -15.4302 -15.2565 -15.2565 -15.0736 -15.0736 -11.8879 -11.8879 -11.6163 -11.6163 -11.3368 -11.3368 -8.7629 -8.7629 0.2161 0.2161 0.7055 0.7055 1.9659 1.9659 2.1513 2.1513 2.1924 2.1924 2.6170 2.6170 3.2291 3.2291 3.3402 3.3402 3.7330 3.7330 3.8055 3.8055 4.5780 4.5780 4.8421 4.8421 14.3699 14.3796 k = 0.0000 0.5026 0.4075 ( 4642 PWs) bands (ev): -43.0515 -43.0515 -15.4363 -15.4363 -15.2575 -15.2575 -15.0736 -15.0736 -11.8812 -11.8812 -11.6115 -11.6115 -11.3289 -11.3289 -8.7666 -8.7666 0.1949 0.1949 0.6828 0.6828 2.0085 2.0085 2.1288 2.1288 2.1893 2.1893 2.6371 2.6371 3.1660 3.1660 3.3172 3.3172 3.7345 3.7345 3.8231 3.8231 4.5942 4.5942 4.8631 4.8631 14.3313 14.3313 k = 0.0000 0.5026 0.4211 ( 4638 PWs) bands (ev): -43.0515 -43.0515 -15.4419 -15.4419 -15.2583 -15.2583 -15.0736 -15.0736 -11.8752 -11.8752 -11.6071 -11.6071 -11.3216 -11.3216 -8.7700 -8.7700 0.1758 0.1758 0.6624 0.6624 2.0444 2.0444 2.1087 2.1087 2.1953 2.1953 2.6567 2.6567 3.1021 3.1021 3.2949 3.2949 3.7358 3.7358 3.8391 3.8391 4.6080 4.6080 4.8835 4.8835 14.2876 14.2876 k = 0.0000 0.5026 0.4346 ( 4630 PWs) bands (ev): -43.0515 -43.0515 -15.4470 -15.4470 -15.2590 -15.2590 -15.0736 -15.0736 -11.8700 -11.8700 -11.6031 -11.6031 -11.3149 -11.3149 -8.7731 -8.7731 0.1588 0.1588 0.6444 0.6444 2.0674 2.0674 2.0918 2.0918 2.2157 2.2157 2.6757 2.6757 3.0377 3.0377 3.2734 3.2734 3.7370 3.7370 3.8534 3.8534 4.6195 4.6195 4.9026 4.9026 14.2486 14.2486 k = 0.0000 0.5026 0.4482 ( 4634 PWs) bands (ev): -43.0515 -43.0515 -15.4515 -15.4515 -15.2595 -15.2595 -15.0736 -15.0736 -11.8654 -11.8654 -11.5995 -11.5995 -11.3090 -11.3090 -8.7759 -8.7759 0.1440 0.1440 0.6286 0.6286 2.0689 2.0689 2.0858 2.0858 2.2514 2.2514 2.6935 2.6935 2.9729 2.9729 3.2532 3.2532 3.7380 3.7380 3.8658 3.8658 4.6291 4.6291 4.9201 4.9201 14.2146 14.2146 k = 0.0000 0.5026 0.4618 ( 4632 PWs) bands (ev): -43.0514 -43.0514 -15.4554 -15.4554 -15.2599 -15.2599 -15.0736 -15.0736 -11.8615 -11.8615 -11.5965 -11.5965 -11.3039 -11.3039 -8.7782 -8.7782 0.1313 0.1313 0.6153 0.6153 2.0574 2.0574 2.0870 2.0870 2.2980 2.2980 2.7100 2.7100 2.9080 2.9080 3.2348 3.2348 3.7389 3.7389 3.8763 3.8763 4.6370 4.6370 4.9354 4.9354 14.1856 14.1856 k = 0.0000 0.5026 0.4754 ( 4632 PWs) bands (ev): -43.0514 -43.0514 -15.4586 -15.4586 -15.2603 -15.2603 -15.0736 -15.0736 -11.8584 -11.8584 -11.5940 -11.5940 -11.2997 -11.2997 -8.7802 -8.7802 0.1210 0.1210 0.6044 0.6044 2.0465 2.0465 2.0863 2.0863 2.3506 2.3506 2.7245 2.7245 2.8432 2.8432 3.2187 3.2187 3.7396 3.7396 3.8849 3.8849 4.6432 4.6432 4.9484 4.9484 14.1617 14.1617 k = 0.0000 0.5026 0.4890 ( 4638 PWs) bands (ev): -43.0514 -43.0514 -15.4612 -15.4612 -15.2605 -15.2605 -15.0736 -15.0736 -11.8559 -11.8559 -11.5920 -11.5920 -11.2964 -11.2964 -8.7817 -8.7817 0.1129 0.1129 0.5959 0.5959 2.0377 2.0377 2.0846 2.0846 2.4068 2.4068 2.7366 2.7366 2.7787 2.7787 3.2052 3.2052 3.7402 3.7402 3.8916 3.8916 4.6479 4.6479 4.9588 4.9588 14.1431 14.1431 k = 0.0000 0.5026 0.5025 ( 4636 PWs) bands (ev): -43.0514 -43.0514 -15.4630 -15.4630 -15.2607 -15.2607 -15.0736 -15.0736 -11.8542 -11.8542 -11.5906 -11.5906 -11.2939 -11.2939 -8.7828 -8.7828 0.1071 0.1071 0.5898 0.5898 2.0314 2.0314 2.0829 2.0829 2.4654 2.4654 2.7147 2.7147 2.7458 2.7458 3.1952 3.1952 3.7406 3.7406 3.8964 3.8964 4.6513 4.6513 4.9663 4.9663 14.1297 14.1297 k = 0.0000 0.5026 0.5161 ( 4634 PWs) bands (ev): -43.0514 -43.0514 -15.4641 -15.4641 -15.2608 -15.2608 -15.0736 -15.0736 -11.8531 -11.8531 -11.5897 -11.5897 -11.2925 -11.2925 -8.7835 -8.7835 0.1036 0.1036 0.5861 0.5861 2.0276 2.0276 2.0818 2.0818 2.5254 2.5254 2.6516 2.6516 2.7515 2.7515 3.1889 3.1889 3.7408 3.7408 3.8993 3.8993 4.6533 4.6533 4.9709 4.9709 14.1216 14.1216 k = 0.0000 0.5026 0.5297 ( 4632 PWs) bands (ev): -43.0514 -43.0514 -15.4645 -15.4645 -15.2608 -15.2608 -15.0736 -15.0736 -11.8528 -11.8528 -11.5894 -11.5894 -11.2920 -11.2920 -8.7837 -8.7837 0.1025 0.1025 0.5849 0.5849 2.0263 2.0263 2.0814 2.0814 2.5775 2.5775 2.5985 2.5985 2.7535 2.7535 3.1867 3.1867 3.7409 3.7409 3.9002 3.9002 4.6539 4.6539 4.9724 4.9724 14.1190 14.1190 k = 0.0000 0.5026 0.5297 ( 4632 PWs) bands (ev): -43.0514 -43.0514 -15.4645 -15.4645 -15.2608 -15.2608 -15.0736 -15.0736 -11.8528 -11.8528 -11.5894 -11.5894 -11.2920 -11.2920 -8.7837 -8.7837 0.1025 0.1025 0.5849 0.5849 2.0263 2.0263 2.0814 2.0814 2.5775 2.5775 2.5985 2.5985 2.7535 2.7535 3.1867 3.1867 3.7409 3.7409 3.9002 3.9002 4.6539 4.6539 4.9724 4.9724 14.1190 14.1190 k = 0.0133 0.5026 0.5297 ( 4636 PWs) bands (ev): -43.0514 -43.0514 -15.4645 -15.4645 -15.2608 -15.2608 -15.0739 -15.0739 -11.8522 -11.8522 -11.5894 -11.5894 -11.2920 -11.2920 -8.7834 -8.7834 0.1000 0.1000 0.5821 0.5821 2.0050 2.0050 2.0801 2.0801 2.5926 2.5926 2.6050 2.6050 2.7591 2.7591 3.1882 3.1882 3.7409 3.7409 3.9003 3.9003 4.6545 4.6545 4.9728 4.9728 14.1175 14.1175 k = 0.0267 0.5026 0.5297 ( 4634 PWs) bands (ev): -43.0514 -43.0514 -15.4645 -15.4645 -15.2608 -15.2608 -15.0748 -15.0748 -11.8506 -11.8506 -11.5892 -11.5892 -11.2918 -11.2918 -8.7824 -8.7824 0.0926 0.0926 0.5740 0.5740 1.9485 1.9485 2.0761 2.0761 2.6065 2.6065 2.6461 2.6461 2.7781 2.7781 3.1927 3.1927 3.7409 3.7409 3.9004 3.9004 4.6562 4.6562 4.9742 4.9742 14.1130 14.1130 k = 0.0400 0.5026 0.5297 ( 4634 PWs) bands (ev): -43.0514 -43.0514 -15.4645 -15.4645 -15.2608 -15.2608 -15.0763 -15.0763 -11.8480 -11.8480 -11.5888 -11.5888 -11.2917 -11.2917 -8.7808 -8.7808 0.0805 0.0805 0.5606 0.5606 1.8705 1.8705 2.0696 2.0696 2.6206 2.6206 2.6991 2.6991 2.8177 2.8177 3.2000 3.2000 3.7409 3.7409 3.9006 3.9006 4.6591 4.6591 4.9764 4.9764 14.1057 14.1057 k = 0.0534 0.5026 0.5297 ( 4632 PWs) bands (ev): -43.0514 -43.0514 -15.4645 -15.4645 -15.2608 -15.2608 -15.0783 -15.0783 -11.8443 -11.8443 -11.5883 -11.5883 -11.2914 -11.2914 -8.7786 -8.7786 0.0639 0.0639 0.5423 0.5423 1.7810 1.7810 2.0603 2.0603 2.6396 2.6396 2.7430 2.7430 2.8839 2.8839 3.2099 3.2099 3.7409 3.7409 3.9009 3.9009 4.6632 4.6632 4.9796 4.9796 14.0955 14.0955 k = 0.0667 0.5026 0.5297 ( 4634 PWs) bands (ev): -43.0514 -43.0514 -15.4645 -15.4645 -15.2609 -15.2609 -15.0809 -15.0809 -11.8396 -11.8396 -11.5877 -11.5877 -11.2910 -11.2910 -8.7757 -8.7757 0.0431 0.0431 0.5196 0.5196 1.6853 1.6853 2.0484 2.0484 2.6634 2.6634 2.7795 2.7795 2.9690 2.9690 3.2224 3.2224 3.7409 3.7409 3.9014 3.9014 4.6686 4.6686 4.9837 4.9837 14.0826 14.0826 k = 0.0801 0.5026 0.5297 ( 4630 PWs) bands (ev): -43.0514 -43.0514 -15.4645 -15.4645 -15.2609 -15.2609 -15.0841 -15.0841 -11.8339 -11.8339 -11.5870 -11.5870 -11.2906 -11.2906 -8.7722 -8.7722 0.0184 0.0184 0.4928 0.4928 1.5866 1.5866 2.0340 2.0340 2.6919 2.6919 2.8149 2.8149 3.0629 3.0629 3.2371 3.2371 3.7409 3.7409 3.9019 3.9019 4.6752 4.6752 4.9887 4.9887 14.0671 14.0671 k = 0.0934 0.5026 0.5297 ( 4638 PWs) bands (ev): -43.0514 -43.0514 -15.4645 -15.4645 -15.2609 -15.2609 -15.0877 -15.0877 -11.8273 -11.8273 -11.5861 -11.5861 -11.2901 -11.2901 -8.7681 -8.7681 -0.0097 -0.0097 0.4626 0.4626 1.4865 1.4865 2.0171 2.0171 2.7246 2.7246 2.8520 2.8520 3.1604 3.1604 3.2537 3.2537 3.7409 3.7409 3.9027 3.9027 4.6832 4.6832 4.9947 4.9947 14.0490 14.0490 k = 0.1068 0.5026 0.5297 ( 4642 PWs) bands (ev): -43.0514 -43.0514 -15.4645 -15.4645 -15.2610 -15.2610 -15.0918 -15.0918 -11.8199 -11.8199 -11.5851 -11.5851 -11.2896 -11.2896 -8.7635 -8.7635 -0.0408 -0.0408 0.4294 0.4294 1.3862 1.3862 1.9981 1.9981 2.7609 2.7609 2.8916 2.8916 3.2590 3.2590 3.2721 3.2721 3.7409 3.7409 3.9037 3.9037 4.6928 4.6928 5.0018 5.0018 14.0287 14.0287 k = 0.1201 0.5026 0.5297 ( 4634 PWs) bands (ev): -43.0514 -43.0514 -15.4645 -15.4645 -15.2610 -15.2610 -15.0963 -15.0963 -11.8117 -11.8117 -11.5840 -11.5840 -11.2890 -11.2890 -8.7583 -8.7583 -0.0745 -0.0745 0.3937 0.3937 1.2863 1.2863 1.9771 1.9771 2.8004 2.8004 2.9338 2.9338 3.2919 3.2919 3.3571 3.3571 3.7410 3.7410 3.9051 3.9051 4.7038 4.7038 5.0099 5.0099 14.0062 14.0062 k = 0.1334 0.5026 0.5297 ( 4632 PWs) bands (ev): -43.0514 -43.0514 -15.4646 -15.4646 -15.2611 -15.2611 -15.1012 -15.1012 -11.8027 -11.8027 -11.5827 -11.5827 -11.2883 -11.2883 -8.7526 -8.7526 -0.1104 -0.1104 0.3561 0.3561 1.1875 1.1875 1.9544 1.9544 2.8424 2.8424 2.9782 2.9782 3.3130 3.3130 3.4535 3.4535 3.7412 3.7412 3.9070 3.9070 4.7166 4.7166 5.0191 5.0191 13.9817 13.9817 k = 0.1468 0.5026 0.5297 ( 4622 PWs) bands (ev): -43.0513 -43.0513 -15.4646 -15.4646 -15.2612 -15.2612 -15.1063 -15.1063 -11.7931 -11.7931 -11.5813 -11.5813 -11.2876 -11.2876 -8.7464 -8.7464 -0.1480 -0.1480 0.3169 0.3169 1.0900 1.0900 1.9304 1.9304 2.8862 2.8862 3.0245 3.0245 3.3352 3.3352 3.5472 3.5472 3.7416 3.7416 3.9099 3.9099 4.7313 4.7313 5.0294 5.0294 13.9554 13.9554 k = 0.1601 0.5026 0.5297 ( 4622 PWs) bands (ev): -43.0513 -43.0513 -15.4646 -15.4646 -15.2613 -15.2613 -15.1118 -15.1118 -11.7830 -11.7830 -11.5798 -11.5798 -11.2869 -11.2869 -8.7398 -8.7398 -0.1870 -0.1870 0.2767 0.2767 0.9943 0.9943 1.9052 1.9052 2.9313 2.9313 3.0722 3.0722 3.3582 3.3582 3.6361 3.6361 3.7426 3.7426 3.9146 3.9146 4.7479 4.7479 5.0409 5.0409 13.9276 13.9276 k = 0.1735 0.5026 0.5297 ( 4622 PWs) bands (ev): -43.0513 -43.0513 -15.4647 -15.4647 -15.2615 -15.2615 -15.1176 -15.1176 -11.7724 -11.7724 -11.5781 -11.5781 -11.2861 -11.2861 -8.7328 -8.7328 -0.2269 -0.2269 0.2357 0.2357 0.9006 0.9006 1.8791 1.8791 2.9771 2.9771 3.1209 3.1209 3.3818 3.3818 3.7138 3.7138 3.7483 3.7483 3.9230 3.9230 4.7667 4.7667 5.0536 5.0536 13.8983 13.8983 k = 0.1868 0.5026 0.5297 ( 4626 PWs) bands (ev): -43.0513 -43.0513 -15.4647 -15.4647 -15.2617 -15.2617 -15.1235 -15.1235 -11.7614 -11.7614 -11.5763 -11.5763 -11.2853 -11.2853 -8.7254 -8.7254 -0.2676 -0.2676 0.1944 0.1944 0.8092 0.8092 1.8524 1.8524 3.0230 3.0230 3.1702 3.1702 3.4060 3.4060 3.7375 3.7375 3.7956 3.7956 3.9406 3.9406 4.7878 4.7878 5.0675 5.0675 13.8678 13.8678 k = 0.2002 0.5026 0.5297 ( 4628 PWs) bands (ev): -43.0513 -43.0513 -15.4648 -15.4648 -15.2620 -15.2620 -15.1295 -15.1295 -11.7501 -11.7501 -11.5743 -11.5743 -11.2845 -11.2845 -8.7177 -8.7177 -0.3086 -0.3086 0.1531 0.1531 0.7203 0.7203 1.8253 1.8253 3.0684 3.0684 3.2196 3.2196 3.4307 3.4307 3.7396 3.7396 3.8418 3.8418 3.9770 3.9770 4.8115 4.8115 5.0827 5.0827 13.8363 13.8363 k = 0.2135 0.5026 0.5297 ( 4624 PWs) bands (ev): -43.0513 -43.0513 -15.4649 -15.4649 -15.2623 -15.2623 -15.1355 -15.1355 -11.7387 -11.7387 -11.5722 -11.5722 -11.2836 -11.2836 -8.7098 -8.7098 -0.3496 -0.3496 0.1120 0.1120 0.6341 0.6341 1.7980 1.7980 3.1129 3.1129 3.2689 3.2689 3.4558 3.4558 3.7405 3.7405 3.8654 3.8654 4.0332 4.0332 4.8377 4.8377 5.0993 5.0993 13.8039 13.8039 k = 0.2269 0.5026 0.5297 ( 4626 PWs) bands (ev): -43.0513 -43.0513 -15.4650 -15.4650 -15.2627 -15.2627 -15.1416 -15.1416 -11.7272 -11.7272 -11.5699 -11.5699 -11.2827 -11.2827 -8.7016 -8.7016 -0.3904 -0.3904 0.0713 0.0713 0.5507 0.5507 1.7707 1.7707 3.1558 3.1558 3.3175 3.3175 3.4811 3.4811 3.7412 3.7412 3.8764 3.8764 4.0977 4.0977 4.8667 4.8667 5.1171 5.1171 13.7708 13.7708 k = 0.2402 0.5026 0.5297 ( 4626 PWs) bands (ev): -43.0513 -43.0513 -15.4651 -15.4651 -15.2632 -15.2632 -15.1476 -15.1476 -11.7158 -11.7158 -11.5674 -11.5674 -11.2819 -11.2819 -8.6932 -8.6932 -0.4308 -0.4308 0.0314 0.0314 0.4705 0.4705 1.7436 1.7436 3.1968 3.1968 3.3652 3.3652 3.5067 3.5067 3.7420 3.7420 3.8824 3.8824 4.1626 4.1626 4.8983 4.8983 5.1363 5.1363 13.7372 13.7372 k = 0.2535 0.5026 0.5297 ( 4626 PWs) bands (ev): -43.0512 -43.0512 -15.4653 -15.4653 -15.2637 -15.2637 -15.1535 -15.1535 -11.7046 -11.7046 -11.5646 -11.5646 -11.2811 -11.2811 -8.6847 -8.6847 -0.4705 -0.4705 -0.0077 -0.0077 0.3934 0.3934 1.7168 1.7168 3.2355 3.2355 3.4116 3.4116 3.5324 3.5324 3.7428 3.7428 3.8862 3.8862 4.2247 4.2247 4.9324 4.9324 5.1568 5.1568 13.7031 13.7031 k = 0.2669 0.5026 0.5297 ( 4628 PWs) bands (ev): -43.0512 -43.0512 -15.4654 -15.4654 -15.2643 -15.2643 -15.1593 -15.1593 -11.6937 -11.6937 -11.5617 -11.5617 -11.2802 -11.2802 -8.6762 -8.6762 -0.5093 -0.5093 -0.0457 -0.0457 0.3198 0.3198 1.6906 1.6906 3.2715 3.2715 3.4563 3.4563 3.5582 3.5582 3.7438 3.7438 3.8890 3.8890 4.2828 4.2828 4.9688 4.9688 5.1787 5.1787 13.6687 13.6687 k = 0.2802 0.5026 0.5297 ( 4630 PWs) bands (ev): -43.0512 -43.0512 -15.4656 -15.4656 -15.2651 -15.2651 -15.1648 -15.1648 -11.6832 -11.6832 -11.5584 -11.5584 -11.2794 -11.2794 -8.6676 -8.6676 -0.5470 -0.5470 -0.0825 -0.0825 0.2497 0.2497 1.6650 1.6650 3.3047 3.3047 3.4991 3.4991 3.5839 3.5839 3.7450 3.7450 3.8914 3.8914 4.3366 4.3366 5.0069 5.0069 5.2020 5.2020 13.6341 13.6341 k = 0.2936 0.5026 0.5297 ( 4628 PWs) bands (ev): -43.0512 -43.0512 -15.4658 -15.4658 -15.2659 -15.2659 -15.1700 -15.1700 -11.6734 -11.6734 -11.5548 -11.5548 -11.2787 -11.2787 -8.6591 -8.6591 -0.5835 -0.5835 -0.1180 -0.1180 0.1834 0.1834 1.6402 1.6402 3.3349 3.3349 3.5398 3.5398 3.6095 3.6095 3.7464 3.7464 3.8935 3.8935 4.3860 4.3860 5.0462 5.0462 5.2266 5.2266 13.5995 13.5995 k = 0.3069 0.5026 0.5297 ( 4632 PWs) bands (ev): -43.0512 -43.0512 -15.4660 -15.4660 -15.2668 -15.2668 -15.1750 -15.1750 -11.6642 -11.6642 -11.5509 -11.5509 -11.2780 -11.2780 -8.6506 -8.6506 -0.6186 -0.6186 -0.1521 -0.1521 0.1208 0.1208 1.6164 1.6164 3.3619 3.3619 3.5779 3.5779 3.6347 3.6347 3.7480 3.7480 3.8957 3.8957 4.4312 4.4312 5.0858 5.0858 5.2526 5.2526 13.5648 13.5648 k = 0.3203 0.5026 0.5297 ( 4628 PWs) bands (ev): -43.0512 -43.0512 -15.4662 -15.4662 -15.2678 -15.2678 -15.1796 -15.1796 -11.6558 -11.6558 -11.5466 -11.5466 -11.2773 -11.2773 -8.6424 -8.6424 -0.6522 -0.6522 -0.1846 -0.1846 0.0623 0.0623 1.5935 1.5935 3.3860 3.3860 3.6134 3.6134 3.6593 3.6593 3.7499 3.7499 3.8980 3.8980 4.4724 4.4724 5.1249 5.1249 5.2801 5.2801 13.5303 13.5303 k = 0.3336 0.5026 0.5297 ( 4622 PWs) bands (ev): -43.0512 -43.0512 -15.4664 -15.4664 -15.2689 -15.2689 -15.1838 -15.1838 -11.6483 -11.6483 -11.5419 -11.5419 -11.2766 -11.2766 -8.6343 -8.6343 -0.6840 -0.6840 -0.2156 -0.2156 0.0079 0.0079 1.5718 1.5718 3.4071 3.4071 3.6459 3.6459 3.6830 3.6830 3.7522 3.7522 3.9005 3.9005 4.5100 4.5100 5.1625 5.1625 5.3091 5.3091 13.4961 13.4961 k = 0.3469 0.5026 0.5297 ( 4626 PWs) bands (ev): -43.0512 -43.0512 -15.4666 -15.4666 -15.2701 -15.2701 -15.1877 -15.1877 -11.6418 -11.6418 -11.5370 -11.5370 -11.2761 -11.2761 -8.6265 -8.6265 -0.7141 -0.7141 -0.2449 -0.2449 -0.0422 -0.0422 1.5514 1.5514 3.4253 3.4253 3.6752 3.6752 3.7055 3.7055 3.7550 3.7550 3.9033 3.9033 4.5441 4.5441 5.1980 5.1980 5.3393 5.3393 13.4623 13.4623 k = 0.3603 0.5026 0.5297 ( 4630 PWs) bands (ev): -43.0512 -43.0512 -15.4669 -15.4669 -15.2713 -15.2713 -15.1912 -15.1912 -11.6362 -11.6362 -11.5318 -11.5318 -11.2756 -11.2756 -8.6191 -8.6191 -0.7422 -0.7422 -0.2725 -0.2725 -0.0880 -0.0880 1.5323 1.5323 3.4409 3.4409 3.7011 3.7011 3.7260 3.7260 3.7589 3.7589 3.9065 3.9065 4.5751 4.5751 5.2307 5.2307 5.3706 5.3706 13.4292 13.4292 k = 0.3736 0.5026 0.5297 ( 4632 PWs) bands (ev): -43.0512 -43.0512 -15.4671 -15.4671 -15.2726 -15.2726 -15.1943 -15.1943 -11.6315 -11.6315 -11.5264 -11.5264 -11.2752 -11.2752 -8.6120 -8.6120 -0.7682 -0.7682 -0.2984 -0.2984 -0.1293 -0.1293 1.5146 1.5146 3.4540 3.4540 3.7235 3.7235 3.7426 3.7426 3.7658 3.7658 3.9102 3.9102 4.6031 4.6031 5.2603 5.2603 5.4025 5.4025 13.3971 13.3971 k = 0.3870 0.5026 0.5297 ( 4634 PWs) bands (ev): -43.0511 -43.0511 -15.4674 -15.4674 -15.2739 -15.2739 -15.1970 -15.1970 -11.6277 -11.6277 -11.5209 -11.5209 -11.2749 -11.2749 -8.6053 -8.6053 -0.7921 -0.7921 -0.3225 -0.3225 -0.1661 -0.1661 1.4984 1.4984 3.4648 3.4648 3.7418 3.7418 3.7532 3.7532 3.7783 3.7783 3.9142 3.9142 4.6283 4.6283 5.2867 5.2867 5.4343 5.4343 13.3664 13.3664 k = 0.4003 0.5026 0.5297 ( 4634 PWs) bands (ev): -43.0511 -43.0511 -15.4676 -15.4676 -15.2751 -15.2751 -15.1993 -15.1993 -11.6248 -11.6248 -11.5156 -11.5156 -11.2746 -11.2746 -8.5991 -8.5991 -0.8137 -0.8137 -0.3448 -0.3448 -0.1983 -0.1983 1.4837 1.4837 3.4734 3.4734 3.7529 3.7529 3.7630 3.7630 3.7940 3.7940 3.9185 3.9185 4.6506 4.6506 5.3099 5.3099 5.4654 5.4654 13.3375 13.3375 k = 0.4137 0.5026 0.5297 ( 4638 PWs) bands (ev): -43.0511 -43.0511 -15.4678 -15.4678 -15.2763 -15.2763 -15.2012 -15.2012 -11.6226 -11.6226 -11.5104 -11.5104 -11.2744 -11.2744 -8.5934 -8.5934 -0.8329 -0.8329 -0.3651 -0.3651 -0.2259 -0.2259 1.4707 1.4707 3.4801 3.4801 3.7576 3.7576 3.7745 3.7745 3.8099 3.8099 3.9229 3.9229 4.6702 4.6702 5.3300 5.3300 5.4950 5.4950 13.3109 13.3109 k = 0.4270 0.5026 0.5297 ( 4634 PWs) bands (ev): -43.0511 -43.0511 -15.4679 -15.4679 -15.2774 -15.2774 -15.2028 -15.2028 -11.6212 -11.6212 -11.5055 -11.5055 -11.2744 -11.2744 -8.5883 -8.5883 -0.8497 -0.8497 -0.3833 -0.3833 -0.2490 -0.2490 1.4594 1.4594 3.4849 3.4849 3.7604 3.7604 3.7845 3.7845 3.8249 3.8249 3.9271 3.9271 4.6870 4.6870 5.3469 5.3469 5.5226 5.5226 13.2870 13.2870 k = 0.4404 0.5026 0.5297 ( 4632 PWs) bands (ev): -43.0511 -43.0511 -15.4681 -15.4681 -15.2783 -15.2783 -15.2041 -15.2041 -11.6204 -11.6204 -11.5009 -11.5009 -11.2744 -11.2744 -8.5838 -8.5838 -0.8639 -0.8639 -0.3993 -0.3993 -0.2678 -0.2678 1.4498 1.4498 3.4880 3.4880 3.7624 3.7624 3.7922 3.7922 3.8386 3.8386 3.9308 3.9308 4.7010 4.7010 5.3608 5.3608 5.5478 5.5478 13.2663 13.2663 k = 0.4537 0.5026 0.5297 ( 4624 PWs) bands (ev): -43.0511 -43.0511 -15.4682 -15.4682 -15.2791 -15.2791 -15.2050 -15.2050 -11.6203 -11.6203 -11.4969 -11.4969 -11.2745 -11.2745 -8.5799 -8.5799 -0.8755 -0.8755 -0.4128 -0.4128 -0.2822 -0.2822 1.4419 1.4419 3.4895 3.4895 3.7640 3.7640 3.7981 3.7981 3.8509 3.8509 3.9337 3.9337 4.7121 4.7121 5.3715 5.3715 5.5701 5.5701 13.2492 13.2492 k = 0.4537 0.5026 0.5297 ( 4624 PWs) bands (ev): -43.0511 -43.0511 -15.4682 -15.4682 -15.2791 -15.2791 -15.2050 -15.2050 -11.6203 -11.6203 -11.4969 -11.4969 -11.2745 -11.2745 -8.5799 -8.5799 -0.8755 -0.8755 -0.4128 -0.4128 -0.2822 -0.2822 1.4419 1.4419 3.4895 3.4895 3.7640 3.7640 3.7981 3.7981 3.8509 3.8509 3.9337 3.9337 4.7121 4.7121 5.3715 5.3715 5.5701 5.5701 13.2492 13.2492 k = 0.4446 0.4926 0.5297 ( 4620 PWs) bands (ev): -43.0511 -43.0511 -15.4680 -15.4680 -15.2779 -15.2779 -15.2036 -15.2036 -11.6200 -11.6200 -11.5032 -11.5032 -11.2742 -11.2742 -8.5858 -8.5858 -0.8586 -0.8586 -0.3929 -0.3929 -0.2611 -0.2611 1.4535 1.4535 3.4882 3.4882 3.7618 3.7618 3.7897 3.7897 3.8318 3.8318 3.9299 3.9299 4.6960 4.6960 5.3564 5.3564 5.5362 5.5362 13.2743 13.2743 k = 0.4356 0.4825 0.5297 ( 4628 PWs) bands (ev): -43.0511 -43.0511 -15.4678 -15.4678 -15.2766 -15.2766 -15.2021 -15.2021 -11.6197 -11.6197 -11.5105 -11.5105 -11.2740 -11.2740 -8.5925 -8.5925 -0.8390 -0.8390 -0.3707 -0.3707 -0.2350 -0.2350 1.4669 1.4669 3.4867 3.4867 3.7591 3.7591 3.7796 3.7796 3.8095 3.8095 3.9255 3.9255 4.6768 4.6768 5.3385 5.3385 5.4978 5.4978 13.3036 13.3036 k = 0.4265 0.4725 0.5297 ( 4636 PWs) bands (ev): -43.0511 -43.0511 -15.4676 -15.4676 -15.2751 -15.2751 -15.2003 -15.2003 -11.6194 -11.6194 -11.5189 -11.5189 -11.2737 -11.2737 -8.6000 -8.6000 -0.8169 -0.8169 -0.3467 -0.3467 -0.2034 -0.2034 1.4823 1.4823 3.4848 3.4848 3.7556 3.7556 3.7679 3.7679 3.7845 3.7845 3.9205 3.9205 4.6546 4.6546 5.3179 5.3179 5.4557 5.4557 13.3369 13.3369 k = 0.4174 0.4624 0.5297 ( 4628 PWs) bands (ev): -43.0511 -43.0511 -15.4673 -15.4673 -15.2733 -15.2733 -15.1982 -15.1982 -11.6191 -11.6191 -11.5283 -11.5283 -11.2735 -11.2735 -8.6082 -8.6082 -0.7924 -0.7924 -0.3212 -0.3212 -0.1661 -0.1661 1.4996 1.4996 3.4824 3.4824 3.7486 3.7486 3.7542 3.7542 3.7601 3.7601 3.9149 3.9149 4.6294 4.6294 5.2944 5.2944 5.4108 5.4108 13.3742 13.3742 k = 0.4083 0.4524 0.5297 ( 4624 PWs) bands (ev): -43.0511 -43.0511 -15.4670 -15.4670 -15.2714 -15.2714 -15.1960 -15.1960 -11.6187 -11.6187 -11.5387 -11.5387 -11.2733 -11.2733 -8.6170 -8.6170 -0.7656 -0.7656 -0.2945 -0.2945 -0.1230 -0.1230 1.5187 1.5187 3.4795 3.4795 3.7248 3.7248 3.7354 3.7354 3.7525 3.7525 3.9087 3.9087 4.6013 4.6013 5.2675 5.2675 5.3643 5.3643 13.4151 13.4151 k = 0.3993 0.4423 0.5297 ( 4624 PWs) bands (ev): -43.0512 -43.0512 -15.4667 -15.4667 -15.2693 -15.2693 -15.1935 -15.1935 -11.6183 -11.6183 -11.5500 -11.5500 -11.2732 -11.2732 -8.6262 -8.6262 -0.7367 -0.7367 -0.2666 -0.2666 -0.0741 -0.0741 1.5396 1.5396 3.4757 3.4757 3.6928 3.6928 3.7166 3.7166 3.7483 3.7483 3.9019 3.9019 4.5703 4.5703 5.2365 5.2365 5.3178 5.3178 13.4595 13.4595 k = 0.3902 0.4323 0.5297 ( 4624 PWs) bands (ev): -43.0512 -43.0512 -15.4664 -15.4664 -15.2670 -15.2670 -15.1908 -15.1908 -11.6178 -11.6178 -11.5622 -11.5622 -11.2732 -11.2732 -8.6358 -8.6358 -0.7057 -0.7057 -0.2373 -0.2373 -0.0198 -0.0198 1.5621 1.5621 3.4707 3.4707 3.6592 3.6592 3.6947 3.6947 3.7442 3.7442 3.8944 3.8944 4.5366 4.5366 5.2004 5.2004 5.2731 5.2731 13.5073 13.5073 k = 0.3811 0.4222 0.5297 ( 4628 PWs) bands (ev): -43.0512 -43.0512 -15.4661 -15.4661 -15.2645 -15.2645 -15.1879 -15.1879 -11.6174 -11.6174 -11.5752 -11.5752 -11.2734 -11.2734 -8.6455 -8.6455 -0.6728 -0.6728 -0.2067 -0.2067 0.0397 0.0397 1.5862 1.5862 3.4636 3.4636 3.6250 3.6250 3.6696 3.6696 3.7400 3.7400 3.8864 3.8864 4.5006 4.5006 5.1587 5.1587 5.2315 5.2315 13.5582 13.5582 k = 0.3720 0.4122 0.5297 ( 4626 PWs) bands (ev): -43.0512 -43.0512 -15.4658 -15.4658 -15.2619 -15.2619 -15.1847 -15.1847 -11.6171 -11.6171 -11.5889 -11.5889 -11.2737 -11.2737 -8.6554 -8.6554 -0.6380 -0.6380 -0.1745 -0.1745 0.1040 0.1040 1.6118 1.6118 3.4530 3.4530 3.5920 3.5920 3.6408 3.6408 3.7357 3.7357 3.8778 3.8778 4.4626 4.4626 5.1123 5.1123 5.1928 5.1928 13.6119 13.6119 k = 0.3630 0.4021 0.5297 ( 4632 PWs) bands (ev): -43.0512 -43.0512 -15.4655 -15.4655 -15.2591 -15.2591 -15.1814 -15.1814 -11.6173 -11.6173 -11.6027 -11.6027 -11.2741 -11.2741 -8.6652 -8.6652 -0.6014 -0.6014 -0.1407 -0.1407 0.1728 0.1728 1.6387 1.6387 3.4368 3.4368 3.5624 3.5624 3.6080 3.6080 3.7313 3.7313 3.8686 3.8686 4.4231 4.4231 5.0631 5.0631 5.1556 5.1556 13.6683 13.6683 k = 0.3539 0.3920 0.5297 ( 4632 PWs) bands (ev): -43.0512 -43.0512 -15.4652 -15.4652 -15.2562 -15.2562 -15.1779 -15.1779 -11.6225 -11.6225 -11.6123 -11.6123 -11.2749 -11.2749 -8.6748 -8.6748 -0.5631 -0.5631 -0.1053 -0.1053 0.2457 0.2457 1.6670 1.6670 3.4127 3.4127 3.5388 3.5388 3.5709 3.5709 3.7268 3.7268 3.8588 3.8588 4.3829 4.3829 5.0127 5.0127 5.1187 5.1187 13.7272 13.7272 k = 0.3448 0.3820 0.5297 ( 4636 PWs) bands (ev): -43.0512 -43.0512 -15.4649 -15.4649 -15.2531 -15.2531 -15.1742 -15.1742 -11.6367 -11.6367 -11.6134 -11.6134 -11.2758 -11.2758 -8.6843 -8.6843 -0.5232 -0.5232 -0.0681 -0.0681 0.3223 0.3223 1.6965 1.6965 3.3799 3.3799 3.5202 3.5202 3.5309 3.5309 3.7221 3.7221 3.8484 3.8484 4.3425 4.3425 4.9623 4.9623 5.0815 5.0815 13.7882 13.7882 k = 0.3357 0.3719 0.5297 ( 4642 PWs) bands (ev): -43.0513 -43.0513 -15.4646 -15.4646 -15.2499 -15.2499 -15.1704 -15.1704 -11.6530 -11.6530 -11.6131 -11.6131 -11.2770 -11.2770 -8.6933 -8.6933 -0.4816 -0.4816 -0.0291 -0.0291 0.4022 0.4022 1.7270 1.7270 3.3403 3.3403 3.4801 3.4801 3.5127 3.5127 3.7175 3.7175 3.8375 3.8375 4.3028 4.3028 4.9124 4.9124 5.0438 5.0438 13.8511 13.8511 k = 0.3267 0.3619 0.5297 ( 4634 PWs) bands (ev): -43.0513 -43.0513 -15.4643 -15.4643 -15.2465 -15.2465 -15.1663 -15.1663 -11.6701 -11.6701 -11.6125 -11.6125 -11.2785 -11.2785 -8.7019 -8.7019 -0.4385 -0.4385 0.0116 0.0116 0.4850 0.4850 1.7585 1.7585 3.2961 3.2961 3.4282 3.4282 3.5045 3.5045 3.7129 3.7129 3.8260 3.8260 4.2643 4.2643 4.8633 4.8633 5.0052 5.0052 13.9157 13.9157 k = 0.3176 0.3518 0.5297 ( 4638 PWs) bands (ev): -43.0513 -43.0513 -15.4641 -15.4641 -15.2430 -15.2430 -15.1622 -15.1622 -11.6878 -11.6878 -11.6118 -11.6118 -11.2803 -11.2803 -8.7099 -8.7099 -0.3940 -0.3940 0.0541 0.0541 0.5702 0.5702 1.7908 1.7908 3.2488 3.2488 3.3710 3.3710 3.4986 3.4986 3.7083 3.7083 3.8139 3.8139 4.2275 4.2275 4.8153 4.8153 4.9659 4.9659 13.9818 13.9818 k = 0.3085 0.3418 0.5297 ( 4644 PWs) bands (ev): -43.0513 -43.0513 -15.4638 -15.4638 -15.2395 -15.2395 -15.1578 -15.1578 -11.7059 -11.7059 -11.6110 -11.6110 -11.2824 -11.2824 -8.7172 -8.7172 -0.3480 -0.3480 0.0984 0.0984 0.6574 0.6574 1.8237 1.8237 3.1995 3.1995 3.3090 3.3090 3.4940 3.4940 3.7038 3.7038 3.8013 3.8013 4.1927 4.1927 4.7685 4.7685 4.9257 4.9257 14.0491 14.0491 k = 0.2994 0.3317 0.5297 ( 4638 PWs) bands (ev): -43.0513 -43.0513 -15.4636 -15.4636 -15.2357 -15.2357 -15.1534 -15.1534 -11.7244 -11.7244 -11.6102 -11.6102 -11.2848 -11.2848 -8.7238 -8.7238 -0.3007 -0.3007 0.1444 0.1444 0.7461 0.7461 1.8572 1.8572 3.1487 3.1487 3.2428 3.2428 3.4901 3.4901 3.6995 3.6995 3.7881 3.7881 4.1602 4.1602 4.7229 4.7229 4.8849 4.8849 14.1172 14.1172 k = 0.2904 0.3217 0.5297 ( 4642 PWs) bands (ev): -43.0513 -43.0513 -15.4634 -15.4634 -15.2319 -15.2319 -15.1488 -15.1488 -11.7433 -11.7433 -11.6093 -11.6093 -11.2876 -11.2876 -8.7296 -8.7296 -0.2521 -0.2521 0.1922 0.1922 0.8357 0.8357 1.8910 1.8910 3.0970 3.0970 3.1732 3.1732 3.4867 3.4867 3.6954 3.6954 3.7742 3.7742 4.1297 4.1297 4.6787 4.6787 4.8433 4.8433 14.1861 14.1861 k = 0.2813 0.3116 0.5297 ( 4646 PWs) bands (ev): -43.0514 -43.0514 -15.4633 -15.4633 -15.2281 -15.2281 -15.1441 -15.1441 -11.7624 -11.7624 -11.6084 -11.6084 -11.2907 -11.2907 -8.7346 -8.7346 -0.2024 -0.2024 0.2416 0.2416 0.9255 0.9255 1.9251 1.9251 3.0447 3.0447 3.1011 3.1011 3.4836 3.4836 3.6914 3.6914 3.7597 3.7597 4.1012 4.1012 4.6360 4.6360 4.8012 4.8012 14.2554 14.2554 k = 0.2722 0.3016 0.5297 ( 4646 PWs) bands (ev): -43.0514 -43.0514 -15.4631 -15.4631 -15.2241 -15.2241 -15.1394 -15.1394 -11.7818 -11.7818 -11.6075 -11.6075 -11.2941 -11.2941 -8.7387 -8.7387 -0.1515 -0.1515 0.2927 0.2927 1.0148 1.0148 1.9591 1.9591 2.9920 2.9920 3.0274 3.0274 3.4807 3.4807 3.6878 3.6878 3.7445 3.7445 4.0744 4.0744 4.5950 4.5950 4.7586 4.7586 14.3248 14.3248 k = 0.2631 0.2915 0.5297 ( 4642 PWs) bands (ev): -43.0514 -43.0514 -15.4630 -15.4630 -15.2201 -15.2201 -15.1345 -15.1345 -11.8012 -11.8012 -11.6065 -11.6065 -11.2979 -11.2979 -8.7419 -8.7419 -0.0995 -0.0995 0.3453 0.3453 1.1029 1.1029 1.9931 1.9931 2.9392 2.9392 2.9533 2.9533 3.4781 3.4781 3.6844 3.6844 3.7286 3.7286 4.0489 4.0489 4.5558 4.5558 4.7158 4.7158 14.3941 14.3941 k = 0.2541 0.2815 0.5297 ( 4638 PWs) bands (ev): -43.0514 -43.0514 -15.4629 -15.4629 -15.2160 -15.2160 -15.1296 -15.1296 -11.8208 -11.8208 -11.6055 -11.6055 -11.3020 -11.3020 -8.7441 -8.7441 -0.0467 -0.0467 0.3996 0.3996 1.1886 1.1886 2.0268 2.0268 2.8801 2.8801 2.8866 2.8866 3.4755 3.4755 3.6812 3.6812 3.7120 3.7120 4.0242 4.0242 4.5189 4.5189 4.6730 4.6730 14.4626 14.4627 k = 0.2450 0.2714 0.5297 ( 4654 PWs) bands (ev): -43.0514 -43.0514 -15.4629 -15.4629 -15.2119 -15.2119 -15.1247 -15.1247 -11.8403 -11.8403 -11.6046 -11.6046 -11.3064 -11.3064 -8.7453 -8.7453 0.0070 0.0070 0.4553 0.4553 1.2707 1.2707 2.0600 2.0600 2.8091 2.8091 2.8341 2.8341 3.4731 3.4731 3.6779 3.6779 3.6947 3.6947 4.0001 4.0001 4.4842 4.4842 4.6305 4.6305 14.5279 14.5279 k = 0.2359 0.2614 0.5297 ( 4650 PWs) bands (ev): -43.0515 -43.0515 -15.4629 -15.4629 -15.2078 -15.2078 -15.1197 -15.1197 -11.8598 -11.8598 -11.6035 -11.6035 -11.3112 -11.3112 -8.7457 -8.7457 0.0614 0.0614 0.5125 0.5125 1.3478 1.3478 2.0926 2.0926 2.7421 2.7421 2.7822 2.7822 3.4707 3.4707 3.6717 3.6717 3.6797 3.6797 3.9760 3.9760 4.4519 4.4519 4.5890 4.5890 14.5634 14.5635 k = 0.2269 0.2513 0.5297 ( 4654 PWs) bands (ev): -43.0515 -43.0515 -15.4629 -15.4629 -15.2036 -15.2036 -15.1147 -15.1147 -11.8792 -11.8792 -11.6025 -11.6025 -11.3161 -11.3161 -8.7451 -8.7451 0.1164 0.1164 0.5711 0.5711 1.4182 1.4182 2.1243 2.1243 2.6807 2.6807 2.7309 2.7309 3.4685 3.4685 3.6544 3.6544 3.6746 3.6746 3.9518 3.9518 4.4218 4.4218 4.5493 4.5493 14.5689 14.5689 k = 0.2178 0.2413 0.5297 ( 4658 PWs) bands (ev): -43.0515 -43.0515 -15.4629 -15.4629 -15.1995 -15.1995 -15.1098 -15.1098 -11.8984 -11.8984 -11.6015 -11.6015 -11.3214 -11.3214 -8.7436 -8.7436 0.1718 0.1718 0.6310 0.6310 1.4796 1.4796 2.1552 2.1552 2.6273 2.6273 2.6805 2.6805 3.4663 3.4663 3.6335 3.6335 3.6715 3.6715 3.9273 3.9273 4.3931 4.3931 4.5130 4.5130 14.5672 14.5672 k = 0.2087 0.2312 0.5297 ( 4654 PWs) bands (ev): -43.0515 -43.0515 -15.4630 -15.4630 -15.1953 -15.1953 -15.1048 -15.1048 -11.9174 -11.9174 -11.6005 -11.6005 -11.3268 -11.3268 -8.7413 -8.7413 0.2274 0.2274 0.6921 0.6921 1.5299 1.5299 2.1849 2.1849 2.5842 2.5842 2.6309 2.6309 3.4641 3.4641 3.6109 3.6109 3.6680 3.6680 3.9027 3.9027 4.3641 4.3641 4.4822 4.4822 14.5606 14.5606 k = 0.1996 0.2212 0.5297 ( 4642 PWs) bands (ev): -43.0515 -43.0515 -15.4630 -15.4630 -15.1912 -15.1912 -15.0999 -15.0999 -11.9361 -11.9361 -11.5995 -11.5995 -11.3324 -11.3324 -8.7382 -8.7382 0.2831 0.2831 0.7544 0.7544 1.5668 1.5668 2.2134 2.2134 2.5535 2.5535 2.5826 2.5826 3.4621 3.4621 3.5865 3.5865 3.6634 3.6634 3.8786 3.8786 4.3331 4.3331 4.4594 4.4594 14.5493 14.5493 k = 0.1906 0.2111 0.5297 ( 4646 PWs) bands (ev): -43.0515 -43.0515 -15.4631 -15.4631 -15.1871 -15.1871 -15.0951 -15.0951 -11.9544 -11.9544 -11.5985 -11.5985 -11.3382 -11.3382 -8.7343 -8.7343 0.3385 0.3385 0.8177 0.8177 1.5888 1.5888 2.2403 2.2403 2.5348 2.5348 2.5375 2.5375 3.4601 3.4601 3.5600 3.5600 3.6565 3.6565 3.8559 3.8559 4.2990 4.2990 4.4459 4.4459 14.5275 14.5280 k = 0.1815 0.2010 0.5297 ( 4650 PWs) bands (ev): -43.0516 -43.0516 -15.4632 -15.4632 -15.1831 -15.1831 -15.0904 -15.0904 -11.9723 -11.9723 -11.5975 -11.5975 -11.3440 -11.3440 -8.7298 -8.7298 0.3934 0.3934 0.8820 0.8820 1.5958 1.5958 2.2655 2.2655 2.4895 2.4895 2.5348 2.5348 3.4582 3.4582 3.5312 3.5312 3.6463 3.6463 3.8359 3.8359 4.2625 4.2625 4.4414 4.4414 14.4586 14.4586 k = 0.1724 0.1910 0.5297 ( 4642 PWs) bands (ev): -43.0516 -43.0516 -15.4633 -15.4633 -15.1791 -15.1791 -15.0857 -15.0857 -11.9898 -11.9898 -11.5965 -11.5965 -11.3500 -11.3500 -8.7246 -8.7246 0.4474 0.4474 0.9472 0.9472 1.5894 1.5894 2.2888 2.2888 2.4453 2.4453 2.5456 2.5456 3.4563 3.4563 3.4999 3.4999 3.6314 3.6314 3.8200 3.8200 4.2248 4.2248 4.4449 4.4449 14.3790 14.3790 k = 0.1633 0.1809 0.5297 ( 4650 PWs) bands (ev): -43.0516 -43.0516 -15.4635 -15.4635 -15.1753 -15.1753 -15.0811 -15.0811 -12.0067 -12.0067 -11.5955 -11.5955 -11.3559 -11.3559 -8.7190 -8.7190 0.5000 0.5000 1.0131 1.0131 1.5724 1.5724 2.3102 2.3102 2.4026 2.4026 2.5667 2.5667 3.4542 3.4542 3.4662 3.4662 3.6113 3.6113 3.8091 3.8091 4.1869 4.1869 4.4554 4.4554 14.3020 14.3020 k = 0.1543 0.1709 0.5297 ( 4646 PWs) bands (ev): -43.0516 -43.0516 -15.4637 -15.4637 -15.1715 -15.1715 -15.0767 -15.0767 -12.0231 -12.0231 -11.5945 -11.5945 -11.3619 -11.3619 -8.7129 -8.7129 0.5506 0.5506 1.0796 1.0796 1.5482 1.5482 2.3292 2.3292 2.3621 2.3621 2.5951 2.5951 3.4289 3.4289 3.4531 3.4531 3.5861 3.5861 3.8031 3.8031 4.1498 4.1498 4.4721 4.4721 14.2286 14.2286 k = 0.1452 0.1608 0.5297 ( 4642 PWs) bands (ev): -43.0516 -43.0516 -15.4638 -15.4638 -15.1678 -15.1678 -15.0725 -15.0725 -12.0388 -12.0388 -11.5936 -11.5936 -11.3677 -11.3677 -8.7065 -8.7065 0.5986 0.5986 1.1464 1.1464 1.5206 1.5206 2.3212 2.3212 2.3485 2.3485 2.6278 2.6278 3.3894 3.3894 3.4514 3.4514 3.5567 3.5567 3.8011 3.8011 4.1143 4.1143 4.4941 4.4941 14.1590 14.1590 k = 0.1361 0.1508 0.5297 ( 4646 PWs) bands (ev): -43.0516 -43.0516 -15.4640 -15.4640 -15.1643 -15.1643 -15.0684 -15.0684 -12.0538 -12.0538 -11.5927 -11.5927 -11.3735 -11.3735 -8.6998 -8.6998 0.6431 0.6431 1.2131 1.2131 1.4928 1.4928 2.2845 2.2845 2.3636 2.3636 2.6623 2.6623 3.3473 3.3473 3.4498 3.4498 3.5239 3.5239 3.8022 3.8022 4.0808 4.0808 4.5206 4.5206 14.0934 14.0934 k = 0.1270 0.1407 0.5297 ( 4646 PWs) bands (ev): -43.0516 -43.0516 -15.4642 -15.4642 -15.1609 -15.1609 -15.0645 -15.0645 -12.0682 -12.0682 -11.5918 -11.5918 -11.3791 -11.3791 -8.6930 -8.6930 0.6831 0.6831 1.2788 1.2788 1.4685 1.4685 2.2493 2.2493 2.3774 2.3774 2.6969 2.6969 3.3026 3.3026 3.4484 3.4484 3.4887 3.4887 3.8053 3.8053 4.0498 4.0498 4.5510 4.5510 14.0317 14.0317 k = 0.1180 0.1307 0.5297 ( 4650 PWs) bands (ev): -43.0517 -43.0517 -15.4644 -15.4644 -15.1578 -15.1578 -15.0608 -15.0608 -12.0817 -12.0817 -11.5910 -11.5910 -11.3845 -11.3845 -8.6861 -8.6861 0.7173 0.7173 1.3405 1.3405 1.4529 1.4529 2.2161 2.2161 2.3893 2.3893 2.7302 2.7302 3.2558 3.2558 3.4470 3.4470 3.4518 3.4518 3.8097 3.8097 4.0217 4.0217 4.5844 4.5844 13.9741 13.9741 k = 0.1089 0.1206 0.5297 ( 4650 PWs) bands (ev): -43.0517 -43.0517 -15.4645 -15.4645 -15.1547 -15.1547 -15.0573 -15.0573 -12.0944 -12.0944 -11.5902 -11.5902 -11.3897 -11.3897 -8.6793 -8.6793 0.7449 0.7449 1.3850 1.3850 1.4609 1.4609 2.1850 2.1850 2.3994 2.3994 2.7615 2.7615 3.2072 3.2072 3.4136 3.4136 3.4458 3.4458 3.8146 3.8146 3.9967 3.9967 4.6201 4.6201 13.9206 13.9206 k = 0.0998 0.1106 0.5297 ( 4650 PWs) bands (ev): -43.0517 -43.0517 -15.4647 -15.4647 -15.1519 -15.1519 -15.0540 -15.0540 -12.1063 -12.1063 -11.5895 -11.5895 -11.3946 -11.3946 -8.6726 -8.6726 0.7649 0.7649 1.3984 1.3984 1.5076 1.5076 2.1561 2.1561 2.4076 2.4076 2.7902 2.7902 3.1571 3.1571 3.3748 3.3748 3.4446 3.4446 3.8194 3.8194 3.9753 3.9753 4.6571 4.6571 13.8713 13.8713 k = 0.0907 0.1005 0.5297 ( 4644 PWs) bands (ev): -43.0517 -43.0517 -15.4648 -15.4648 -15.1492 -15.1492 -15.0509 -15.0509 -12.1173 -12.1173 -11.5888 -11.5888 -11.3993 -11.3993 -8.6661 -8.6661 0.7771 0.7771 1.4044 1.4044 1.5693 1.5693 2.1295 2.1295 2.4140 2.4140 2.8162 2.8162 3.1060 3.1060 3.3359 3.3359 3.4435 3.4435 3.8233 3.8233 3.9576 3.9576 4.6947 4.6947 13.8262 13.8262 k = 0.0817 0.0905 0.5297 ( 4644 PWs) bands (ev): -43.0517 -43.0517 -15.4650 -15.4650 -15.1468 -15.1468 -15.0482 -15.0482 -12.1273 -12.1273 -11.5882 -11.5882 -11.4035 -11.4035 -8.6600 -8.6600 0.7823 0.7823 1.4146 1.4146 1.6339 1.6339 2.1053 2.1053 2.4186 2.4186 2.8392 2.8392 3.0542 3.0542 3.2977 3.2977 3.4425 3.4425 3.8259 3.8259 3.9440 3.9440 4.7319 4.7319 13.7853 13.7853 k = 0.0726 0.0804 0.5297 ( 4648 PWs) bands (ev): -43.0517 -43.0517 -15.4652 -15.4652 -15.1446 -15.1446 -15.0457 -15.0457 -12.1364 -12.1364 -11.5876 -11.5876 -11.4075 -11.4075 -8.6542 -8.6542 0.7816 0.7816 1.4300 1.4300 1.6985 1.6985 2.0835 2.0835 2.4216 2.4216 2.8593 2.8593 3.0023 3.0023 3.2607 3.2607 3.4416 3.4416 3.8266 3.8266 3.9344 3.9344 4.7678 4.7678 13.7486 13.7486 k = 0.0635 0.0704 0.5297 ( 4646 PWs) bands (ev): -43.0517 -43.0517 -15.4653 -15.4653 -15.1426 -15.1426 -15.0434 -15.0434 -12.1445 -12.1445 -11.5871 -11.5871 -11.4110 -11.4110 -8.6490 -8.6490 0.7767 0.7767 1.4495 1.4495 1.7617 1.7617 2.0641 2.0641 2.4229 2.4229 2.8765 2.8765 2.9509 2.9509 3.2257 3.2257 3.4408 3.4408 3.8255 3.8255 3.9285 3.9285 4.8017 4.8017 13.7163 13.7163 k = 0.0544 0.0603 0.5297 ( 4638 PWs) bands (ev): -43.0517 -43.0517 -15.4654 -15.4654 -15.1409 -15.1409 -15.0414 -15.0414 -12.1515 -12.1515 -11.5867 -11.5867 -11.4141 -11.4141 -8.6443 -8.6443 0.7691 0.7691 1.4712 1.4712 1.8227 1.8227 2.0473 2.0473 2.4228 2.4228 2.8896 2.8896 2.9022 2.9022 3.1935 3.1935 3.4401 3.4401 3.8229 3.8229 3.9259 3.9259 4.8328 4.8328 13.6882 13.6882 k = 0.0454 0.0503 0.5297 ( 4642 PWs) bands (ev): -43.0517 -43.0517 -15.4654 -15.4654 -15.1394 -15.1394 -15.0397 -15.0397 -12.1576 -12.1576 -11.5863 -11.5863 -11.4167 -11.4167 -8.6402 -8.6402 0.7605 0.7605 1.4932 1.4932 1.8802 1.8802 2.0330 2.0330 2.4214 2.4214 2.8518 2.8518 2.9041 2.9041 3.1648 3.1648 3.4395 3.4395 3.8194 3.8194 3.9252 3.9252 4.8603 4.8603 13.6644 13.6644 k = 0.0363 0.0402 0.5297 ( 4638 PWs) bands (ev): -43.0517 -43.0517 -15.4655 -15.4655 -15.1382 -15.1382 -15.0384 -15.0384 -12.1625 -12.1625 -11.5860 -11.5860 -11.4189 -11.4189 -8.6367 -8.6367 0.7521 0.7521 1.5140 1.5140 1.9328 1.9328 2.0212 2.0212 2.4190 2.4190 2.8077 2.8077 2.9136 2.9136 3.1402 3.1402 3.4391 3.4391 3.8158 3.8158 3.9258 3.9258 4.8838 4.8838 13.6450 13.6450 k = 0.0272 0.0302 0.5297 ( 4626 PWs) bands (ev): -43.0517 -43.0517 -15.4655 -15.4655 -15.1372 -15.1372 -15.0372 -15.0372 -12.1664 -12.1664 -11.5857 -11.5857 -11.4207 -11.4207 -8.6340 -8.6340 0.7446 0.7446 1.5318 1.5318 1.9784 1.9784 2.0122 2.0122 2.4161 2.4161 2.7691 2.7691 2.9210 2.9210 3.1205 3.1205 3.4387 3.4387 3.8126 3.8126 3.9270 3.9270 4.9026 4.9026 13.6299 13.6299 k = 0.0181 0.0201 0.5297 ( 4626 PWs) bands (ev): -43.0517 -43.0517 -15.4656 -15.4656 -15.1365 -15.1365 -15.0364 -15.0364 -12.1691 -12.1691 -11.5855 -11.5855 -11.4219 -11.4219 -8.6320 -8.6320 0.7389 0.7389 1.5455 1.5455 2.0048 2.0048 2.0154 2.0154 2.4131 2.4131 2.7385 2.7385 2.9262 2.9262 3.1060 3.1060 3.4384 3.4384 3.8101 3.8101 3.9281 3.9281 4.9163 4.9163 13.6190 13.6190 k = 0.0091 0.0101 0.5297 ( 4630 PWs) bands (ev): -43.0517 -43.0517 -15.4656 -15.4656 -15.1361 -15.1361 -15.0360 -15.0360 -12.1708 -12.1708 -11.5854 -11.5854 -11.4227 -11.4227 -8.6309 -8.6309 0.7353 0.7353 1.5542 1.5542 2.0013 2.0013 2.0384 2.0384 2.4108 2.4108 2.7187 2.7187 2.9293 2.9293 3.0972 3.0972 3.4383 3.4383 3.8086 3.8086 3.9289 3.9289 4.9246 4.9246 13.6126 13.6126 k = 0.0000 0.0000 0.5297 ( 4628 PWs) bands (ev): -43.0517 -43.0517 -15.4657 -15.4657 -15.1360 -15.1360 -15.0358 -15.0358 -12.1714 -12.1714 -11.5854 -11.5854 -11.4229 -11.4229 -8.6305 -8.6305 0.7340 0.7340 1.5571 1.5571 2.0000 2.0000 2.0466 2.0466 2.4100 2.4100 2.7117 2.7117 2.9304 2.9304 3.0942 3.0942 3.4382 3.4382 3.8080 3.8080 3.9292 3.9292 4.9274 4.9274 13.6104 13.6104 k = 0.0000 0.0000 0.5297 ( 4628 PWs) bands (ev): -43.0517 -43.0517 -15.4657 -15.4657 -15.1360 -15.1360 -15.0358 -15.0358 -12.1714 -12.1714 -11.5854 -11.5854 -11.4229 -11.4229 -8.6305 -8.6305 0.7340 0.7340 1.5571 1.5571 2.0000 2.0000 2.0466 2.0466 2.4100 2.4100 2.7117 2.7117 2.9304 2.9304 3.0942 3.0942 3.4382 3.4382 3.8080 3.8080 3.9292 3.9292 4.9274 4.9274 13.6104 13.6104 k = 0.0000 0.0000 0.5161 ( 4630 PWs) bands (ev): -43.0517 -43.0517 -15.4652 -15.4652 -15.1360 -15.1360 -15.0359 -15.0359 -12.1724 -12.1724 -11.5854 -11.5854 -11.4228 -11.4228 -8.6300 -8.6300 0.7322 0.7322 1.5532 1.5532 1.9659 1.9659 2.0815 2.0815 2.4124 2.4124 2.7124 2.7124 2.9350 2.9350 3.0953 3.0953 3.4357 3.4357 3.8112 3.8112 3.9288 3.9288 4.9285 4.9285 13.6074 13.6074 k = 0.0000 0.0000 0.5025 ( 4630 PWs) bands (ev): -43.0517 -43.0517 -15.4640 -15.4640 -15.1359 -15.1359 -15.0359 -15.0359 -12.1756 -12.1756 -11.5855 -11.5855 -11.4225 -11.4225 -8.6288 -8.6288 0.7268 0.7268 1.5416 1.5416 1.9165 1.9165 2.1331 2.1331 2.4198 2.4198 2.7143 2.7143 2.9488 2.9488 3.0986 3.0986 3.4285 3.4285 3.8206 3.8206 3.9276 3.9276 4.9317 4.9317 13.5985 13.5985 k = 0.0000 0.0000 0.4890 ( 4632 PWs) bands (ev): -43.0517 -43.0517 -15.4620 -15.4620 -15.1358 -15.1358 -15.0359 -15.0359 -12.1807 -12.1807 -11.5857 -11.5857 -11.4221 -11.4221 -8.6267 -8.6267 0.7180 0.7180 1.5230 1.5230 1.8662 1.8662 2.1869 2.1869 2.4318 2.4318 2.7175 2.7175 2.9712 2.9712 3.1041 3.1041 3.4172 3.4172 3.8352 3.8352 3.9256 3.9256 4.9370 4.9370 13.5838 13.5838 k = 0.0000 0.0000 0.4754 ( 4644 PWs) bands (ev): -43.0518 -43.0518 -15.4593 -15.4593 -15.1357 -15.1357 -15.0360 -15.0360 -12.1879 -12.1879 -11.5860 -11.5860 -11.4216 -11.4216 -8.6237 -8.6237 0.7059 0.7059 1.4983 1.4983 1.8160 1.8160 2.2416 2.2416 2.4483 2.4483 2.7219 2.7219 3.0011 3.0011 3.1121 3.1121 3.4030 3.4030 3.8540 3.8540 3.9235 3.9235 4.9444 4.9444 13.5635 13.5635 k = 0.0000 0.0000 0.4618 ( 4642 PWs) bands (ev): -43.0518 -43.0518 -15.4557 -15.4557 -15.1355 -15.1355 -15.0360 -15.0360 -12.1970 -12.1970 -11.5863 -11.5863 -11.4209 -11.4209 -8.6200 -8.6200 0.6908 0.6908 1.4686 1.4686 1.7662 1.7662 2.2968 2.2968 2.4689 2.4689 2.7277 2.7277 3.0367 3.0367 3.1232 3.1232 3.3867 3.3867 3.8749 3.8749 3.9222 3.9222 4.9538 4.9538 13.5376 13.5376 k = 0.0000 0.0000 0.4482 ( 4648 PWs) bands (ev): -43.0518 -43.0518 -15.4514 -15.4514 -15.1352 -15.1352 -15.0361 -15.0361 -12.2078 -12.2078 -11.5867 -11.5867 -11.4203 -11.4203 -8.6154 -8.6154 0.6730 0.6730 1.4350 1.4350 1.7169 1.7169 2.3521 2.3521 2.4933 2.4933 2.7345 2.7345 3.0748 3.0748 3.1394 3.1394 3.3696 3.3696 3.8922 3.8922 3.9270 3.9270 4.9650 4.9650 13.5066 13.5066 k = 0.0000 0.0000 0.4346 ( 4654 PWs) bands (ev): -43.0518 -43.0518 -15.4463 -15.4463 -15.1349 -15.1349 -15.0362 -15.0362 -12.2203 -12.2203 -11.5871 -11.5871 -11.4198 -11.4198 -8.6101 -8.6101 0.6528 0.6528 1.3984 1.3984 1.6680 1.6680 2.4073 2.4073 2.5212 2.5212 2.7426 2.7426 3.1083 3.1083 3.1664 3.1664 3.3526 3.3526 3.8970 3.8970 3.9461 3.9461 4.9781 4.9781 13.4707 13.4707 k = 0.0000 0.0000 0.4211 ( 4654 PWs) bands (ev): -43.0518 -43.0518 -15.4405 -15.4405 -15.1345 -15.1345 -15.0363 -15.0363 -12.2343 -12.2343 -11.5876 -11.5876 -11.4194 -11.4194 -8.6040 -8.6040 0.6305 0.6305 1.3596 1.3596 1.6197 1.6197 2.4618 2.4618 2.5524 2.5524 2.7518 2.7518 3.1315 3.1315 3.2075 3.2075 3.3376 3.3376 3.8942 3.8942 3.9745 3.9745 4.9929 4.9929 13.4302 13.4302 k = 0.0000 0.0000 0.4075 ( 4650 PWs) bands (ev): -43.0518 -43.0518 -15.4341 -15.4341 -15.1341 -15.1341 -15.0363 -15.0363 -12.2497 -12.2497 -11.5882 -11.5882 -11.4193 -11.4193 -8.5972 -8.5972 0.6065 0.6065 1.3195 1.3195 1.5720 1.5720 2.5151 2.5151 2.5869 2.5869 2.7621 2.7621 3.1481 3.1481 3.2533 3.2533 3.3299 3.3299 3.8890 3.8890 4.0065 4.0065 5.0093 5.0093 13.3855 13.3855 k = 0.0000 0.0000 0.3939 ( 4650 PWs) bands (ev): -43.0519 -43.0519 -15.4270 -15.4270 -15.1336 -15.1336 -15.0364 -15.0364 -12.2664 -12.2664 -11.5888 -11.5888 -11.4194 -11.4194 -8.5898 -8.5898 0.5810 0.5810 1.2785 1.2785 1.5251 1.5251 2.5664 2.5664 2.6247 2.6247 2.7735 2.7735 3.1609 3.1609 3.2803 3.2803 3.3498 3.3498 3.8830 3.8830 4.0408 4.0408 5.0271 5.0271 13.3371 13.3371 k = 0.0000 0.0000 0.3803 ( 4648 PWs) bands (ev): -43.0519 -43.0519 -15.4193 -15.4193 -15.1329 -15.1329 -15.0365 -15.0365 -12.2841 -12.2841 -11.5895 -11.5895 -11.4199 -11.4199 -8.5816 -8.5816 0.5544 0.5544 1.2372 1.2372 1.4791 1.4791 2.6147 2.6147 2.6659 2.6659 2.7859 2.7859 3.1694 3.1694 3.2837 3.2837 3.4022 3.4022 3.8767 3.8767 4.0767 4.0767 5.0463 5.0463 13.2853 13.2853 k = 0.0000 0.0000 0.3667 ( 4644 PWs) bands (ev): -43.0519 -43.0519 -15.4111 -15.4111 -15.1322 -15.1322 -15.0367 -15.0367 -12.3028 -12.3028 -11.5902 -11.5902 -11.4207 -11.4207 -8.5729 -8.5729 0.5270 0.5270 1.1958 1.1958 1.4340 1.4340 2.6600 2.6600 2.7099 2.7099 2.7993 2.7993 3.1723 3.1723 3.2868 3.2868 3.4644 3.4644 3.8703 3.8703 4.1140 4.1140 5.0668 5.0668 13.2305 13.2305 k = 0.0000 0.0000 0.3531 ( 4640 PWs) bands (ev): -43.0519 -43.0519 -15.4024 -15.4024 -15.1314 -15.1314 -15.0368 -15.0368 -12.3224 -12.3224 -11.5910 -11.5910 -11.4220 -11.4220 -8.5636 -8.5636 0.4990 0.4990 1.1548 1.1548 1.3900 1.3900 2.7027 2.7027 2.7553 2.7553 2.8138 2.8138 3.1696 3.1696 3.2961 3.2961 3.5299 3.5299 3.8642 3.8642 4.1527 4.1527 5.0883 5.0883 13.1733 13.1733 k = 0.0000 0.0000 0.3396 ( 4636 PWs) bands (ev): -43.0520 -43.0520 -15.3933 -15.3933 -15.1305 -15.1305 -15.0369 -15.0369 -12.3425 -12.3425 -11.5918 -11.5918 -11.4237 -11.4237 -8.5539 -8.5539 0.4706 0.4706 1.1143 1.1143 1.3473 1.3473 2.7438 2.7438 2.7992 2.7992 2.8300 2.8300 3.1633 3.1633 3.3112 3.3112 3.5965 3.5965 3.8588 3.8588 4.1927 4.1927 5.1108 5.1108 13.1139 13.1139 k = 0.0000 0.0000 0.3260 ( 4634 PWs) bands (ev): -43.0520 -43.0520 -15.3838 -15.3838 -15.1295 -15.1295 -15.0370 -15.0370 -12.3632 -12.3632 -11.5926 -11.5926 -11.4259 -11.4259 -8.5437 -8.5437 0.4422 0.4422 1.0745 1.0745 1.3058 1.3058 2.7837 2.7837 2.8350 2.8350 2.8528 2.8528 3.1565 3.1565 3.3304 3.3304 3.6626 3.6626 3.8548 3.8548 4.2340 4.2340 5.1342 5.1342 13.0529 13.0529 k = 0.0000 0.0000 0.3124 ( 4638 PWs) bands (ev): -43.0520 -43.0520 -15.3741 -15.3741 -15.1283 -15.1283 -15.0372 -15.0372 -12.3843 -12.3843 -11.5935 -11.5935 -11.4285 -11.4285 -8.5331 -8.5331 0.4138 0.4138 1.0357 1.0357 1.2657 1.2657 2.8225 2.8225 2.8563 2.8563 2.8866 2.8866 3.1520 3.1520 3.3523 3.3523 3.7253 3.7253 3.8547 3.8547 4.2766 4.2766 5.1583 5.1583 12.9907 12.9907 k = 0.0000 0.0000 0.2988 ( 4644 PWs) bands (ev): -43.0520 -43.0520 -15.3641 -15.3641 -15.1269 -15.1269 -15.0373 -15.0373 -12.4057 -12.4057 -11.5943 -11.5943 -11.4316 -11.4316 -8.5222 -8.5222 0.3857 0.3857 0.9978 0.9978 1.2271 1.2271 2.8593 2.8593 2.8752 2.8752 2.9177 2.9177 3.1524 3.1524 3.3759 3.3759 3.7764 3.7764 3.8661 3.8661 4.3206 4.3206 5.1830 5.1830 12.9277 12.9277 k = 0.0000 0.0000 0.2852 ( 4644 PWs) bands (ev): -43.0521 -43.0521 -15.3540 -15.3540 -15.1254 -15.1254 -15.0375 -15.0375 -12.4272 -12.4272 -11.5952 -11.5952 -11.4351 -11.4351 -8.5111 -8.5111 0.3580 0.3580 0.9612 0.9612 1.1899 1.1899 2.8872 2.8872 2.9015 2.9015 2.9407 2.9407 3.1605 3.1605 3.4007 3.4007 3.8013 3.8013 3.9032 3.9032 4.3660 4.3660 5.2082 5.2082 12.8643 12.8643 k = 0.0000 0.0000 0.2716 ( 4652 PWs) bands (ev): -43.0521 -43.0521 -15.3439 -15.3439 -15.1237 -15.1237 -15.0376 -15.0376 -12.4487 -12.4487 -11.5961 -11.5961 -11.4390 -11.4390 -8.4998 -8.4998 0.3309 0.3309 0.9258 0.9258 1.1543 1.1543 2.9061 2.9061 2.9346 2.9346 2.9549 2.9549 3.1774 3.1774 3.4263 3.4263 3.8070 3.8070 3.9584 3.9584 4.4130 4.4130 5.2338 5.2338 12.8007 12.8007 k = 0.0000 0.0000 0.2581 ( 4648 PWs) bands (ev): -43.0521 -43.0521 -15.3338 -15.3338 -15.1218 -15.1218 -15.0378 -15.0378 -12.4701 -12.4701 -11.5970 -11.5970 -11.4432 -11.4432 -8.4884 -8.4884 0.3045 0.3045 0.8917 0.8917 1.1203 1.1203 2.9238 2.9238 2.9535 2.9535 2.9745 2.9745 3.2019 3.2019 3.4524 3.4524 3.8071 3.8071 4.0180 4.0180 4.4615 4.4615 5.2596 5.2596 12.7362 12.7362 k = 0.0000 0.0000 0.2445 ( 4644 PWs) bands (ev): -43.0522 -43.0522 -15.3238 -15.3238 -15.1196 -15.1196 -15.0379 -15.0379 -12.4913 -12.4913 -11.5979 -11.5979 -11.4478 -11.4478 -8.4770 -8.4770 0.2789 0.2789 0.8591 0.8591 1.0880 1.0880 2.9412 2.9412 2.9530 2.9530 3.0061 3.0061 3.2314 3.2314 3.4786 3.4786 3.8058 3.8058 4.0772 4.0772 4.5115 4.5115 5.2855 5.2855 12.6531 12.6533 k = 0.0000 0.0000 0.2309 ( 4646 PWs) bands (ev): -43.0522 -43.0522 -15.3141 -15.3141 -15.1172 -15.1172 -15.0380 -15.0380 -12.5121 -12.5121 -11.5988 -11.5988 -11.4526 -11.4526 -8.4657 -8.4657 0.2542 0.2542 0.8279 0.8279 1.0573 1.0573 2.9468 2.9468 2.9589 2.9589 3.0373 3.0373 3.2636 3.2636 3.5047 3.5047 3.8044 3.8044 4.1344 4.1344 4.5630 4.5630 5.3114 5.3114 12.5551 12.5551 k = 0.0000 0.0000 0.2173 ( 4648 PWs) bands (ev): -43.0522 -43.0522 -15.3047 -15.3047 -15.1146 -15.1146 -15.0381 -15.0381 -12.5325 -12.5325 -11.5997 -11.5997 -11.4575 -11.4575 -8.4545 -8.4545 0.2305 0.2305 0.7983 0.7983 1.0283 1.0283 2.9387 2.9387 2.9759 2.9759 3.0670 3.0670 3.2965 3.2965 3.5305 3.5305 3.8035 3.8035 4.1889 4.1889 4.6158 4.6158 5.3372 5.3372 12.4571 12.4571 k = 0.0000 0.0000 0.2037 ( 4652 PWs) bands (ev): -43.0523 -43.0523 -15.2957 -15.2957 -15.1117 -15.1117 -15.0383 -15.0383 -12.5523 -12.5523 -11.6005 -11.6005 -11.4627 -11.4627 -8.4435 -8.4435 0.2079 0.2079 0.7703 0.7703 1.0011 1.0011 2.9293 2.9293 2.9927 2.9927 3.0948 3.0948 3.3292 3.3292 3.5557 3.5557 3.8031 3.8031 4.2401 4.2401 4.6694 4.6694 5.3626 5.3626 12.3603 12.3603 k = 0.0000 0.0000 0.1902 ( 4656 PWs) bands (ev): -43.0523 -43.0523 -15.2872 -15.2872 -15.1085 -15.1085 -15.0384 -15.0384 -12.5715 -12.5715 -11.6013 -11.6013 -11.4678 -11.4678 -8.4328 -8.4328 0.1864 0.1864 0.7438 0.7438 0.9755 0.9755 2.9194 2.9194 3.0091 3.0091 3.1206 3.1206 3.3610 3.3610 3.5802 3.5802 3.8035 3.8035 4.2880 4.2880 4.7235 4.7235 5.3877 5.3877 12.2654 12.2654 k = 0.0000 0.0000 0.1766 ( 4648 PWs) bands (ev): -43.0523 -43.0523 -15.2792 -15.2792 -15.1051 -15.1051 -15.0384 -15.0384 -12.5899 -12.5899 -11.6021 -11.6021 -11.4730 -11.4730 -8.4225 -8.4225 0.1663 0.1663 0.7191 0.7191 0.9518 0.9518 2.9095 2.9095 3.0249 3.0249 3.1443 3.1443 3.3913 3.3913 3.6038 3.6038 3.8046 3.8046 4.3325 4.3325 4.7775 4.7775 5.4121 5.4121 12.1731 12.1731 k = 0.0000 0.0000 0.1630 ( 4652 PWs) bands (ev): -43.0523 -43.0523 -15.2718 -15.2718 -15.1015 -15.1015 -15.0385 -15.0385 -12.6074 -12.6074 -11.6029 -11.6029 -11.4781 -11.4781 -8.4127 -8.4127 0.1473 0.1473 0.6961 0.6961 0.9297 0.9297 2.8998 2.8998 3.0401 3.0401 3.1658 3.1658 3.4200 3.4200 3.6263 3.6263 3.8065 3.8065 4.3736 4.3736 4.8307 4.8307 5.4359 5.4359 12.0839 12.0839 k = 0.0000 0.0000 0.1494 ( 4660 PWs) bands (ev): -43.0524 -43.0524 -15.2651 -15.2651 -15.0978 -15.0978 -15.0386 -15.0386 -12.6239 -12.6239 -11.6036 -11.6036 -11.4831 -11.4831 -8.4033 -8.4033 0.1298 0.1298 0.6747 0.6747 0.9095 0.9095 2.8905 2.8905 3.0546 3.0546 3.1851 3.1851 3.4468 3.4468 3.6475 3.6475 3.8091 3.8091 4.4112 4.4112 4.8826 4.8826 5.4588 5.4588 11.9985 11.9985 k = 0.0000 0.0000 0.1358 ( 4670 PWs) bands (ev): -43.0524 -43.0524 -15.2591 -15.2591 -15.0940 -15.0940 -15.0387 -15.0387 -12.6394 -12.6394 -11.6043 -11.6043 -11.4879 -11.4879 -8.3945 -8.3945 0.1136 0.1136 0.6552 0.6552 0.8910 0.8910 2.8818 2.8818 3.0682 3.0682 3.2022 3.2022 3.4716 3.4716 3.6673 3.6673 3.8122 3.8122 4.4455 4.4455 4.9324 4.9324 5.4807 5.4807 11.9176 11.9176 k = 0.0000 0.0000 0.1222 ( 4678 PWs) bands (ev): -43.0524 -43.0524 -15.2537 -15.2537 -15.0902 -15.0902 -15.0388 -15.0388 -12.6537 -12.6537 -11.6049 -11.6049 -11.4924 -11.4924 -8.3864 -8.3864 0.0988 0.0988 0.6374 0.6374 0.8742 0.8742 2.8737 2.8737 3.0808 3.0808 3.2173 3.2173 3.4942 3.4942 3.6854 3.6854 3.8158 3.8158 4.4766 4.4766 4.9795 4.9795 5.5014 5.5014 11.8418 11.8418 k = 0.0000 0.0000 0.1087 ( 4664 PWs) bands (ev): -43.0524 -43.0524 -15.2489 -15.2489 -15.0864 -15.0864 -15.0388 -15.0388 -12.6668 -12.6668 -11.6054 -11.6054 -11.4967 -11.4967 -8.3789 -8.3789 0.0855 0.0855 0.6215 0.6215 0.8593 0.8593 2.8663 2.8663 3.0925 3.0925 3.2304 3.2304 3.5146 3.5146 3.7019 3.7019 3.8197 3.8197 4.5044 4.5044 5.0233 5.0233 5.5208 5.5208 11.7718 11.7718 k = 0.0000 0.0000 0.0951 ( 4668 PWs) bands (ev): -43.0525 -43.0525 -15.2448 -15.2448 -15.0828 -15.0828 -15.0388 -15.0388 -12.6785 -12.6785 -11.6060 -11.6060 -11.5005 -11.5005 -8.3722 -8.3722 0.0737 0.0737 0.6074 0.6074 0.8461 0.8461 2.8598 2.8598 3.1030 3.1030 3.2416 3.2416 3.5328 3.5328 3.7166 3.7166 3.8238 3.8238 4.5290 4.5290 5.0633 5.0633 5.5386 5.5386 11.7082 11.7082 k = 0.0000 0.0000 0.0815 ( 4668 PWs) bands (ev): -43.0525 -43.0525 -15.2414 -15.2414 -15.0795 -15.0795 -15.0388 -15.0388 -12.6888 -12.6888 -11.6064 -11.6064 -11.5040 -11.5040 -8.3663 -8.3663 0.0635 0.0635 0.5952 0.5952 0.8347 0.8347 2.8540 2.8540 3.1123 3.1123 3.2510 3.2510 3.5486 3.5486 3.7294 3.7294 3.8278 3.8278 4.5503 4.5503 5.0988 5.0988 5.5546 5.5546 11.6516 11.6516 k = 0.0000 0.0000 0.0679 ( 4672 PWs) bands (ev): -43.0525 -43.0525 -15.2385 -15.2385 -15.0765 -15.0765 -15.0388 -15.0388 -12.6977 -12.6977 -11.6068 -11.6068 -11.5070 -11.5070 -8.3612 -8.3612 0.0547 0.0547 0.5848 0.5848 0.8250 0.8250 2.8490 2.8490 3.1203 3.1203 3.2587 3.2587 3.5620 3.5620 3.7402 3.7402 3.8317 3.8317 4.5684 4.5684 5.1295 5.1295 5.5688 5.5688 11.6027 11.6027 k = 0.0000 0.0000 0.0543 ( 4670 PWs) bands (ev): -43.0525 -43.0525 -15.2362 -15.2362 -15.0739 -15.0739 -15.0387 -15.0387 -12.7050 -12.7050 -11.6071 -11.6071 -11.5095 -11.5095 -8.3570 -8.3570 0.0476 0.0476 0.5762 0.5762 0.8171 0.8171 2.8450 2.8450 3.1269 3.1269 3.2649 3.2649 3.5731 3.5731 3.7491 3.7491 3.8351 3.8351 4.5833 4.5833 5.1551 5.1551 5.5807 5.5807 11.5619 11.5619 k = 0.0000 0.0000 0.0407 ( 4670 PWs) bands (ev): -43.0525 -43.0525 -15.2344 -15.2344 -15.0719 -15.0719 -15.0387 -15.0387 -12.7107 -12.7107 -11.6074 -11.6074 -11.5114 -11.5114 -8.3537 -8.3537 0.0420 0.0420 0.5696 0.5696 0.8110 0.8110 2.8418 2.8418 3.1321 3.1321 3.2695 3.2695 3.5817 3.5817 3.7560 3.7560 3.8380 3.8380 4.5949 4.5949 5.1752 5.1752 5.5903 5.5903 11.5296 11.5296 k = 0.0000 0.0000 0.0272 ( 4671 PWs) bands (ev): -43.0525 -43.0525 -15.2332 -15.2332 -15.0703 -15.0703 -15.0387 -15.0387 -12.7149 -12.7149 -11.6075 -11.6075 -11.5129 -11.5129 -8.3514 -8.3514 0.0380 0.0380 0.5648 0.5648 0.8066 0.8066 2.8395 2.8395 3.1358 3.1358 3.2728 3.2728 3.5878 3.5878 3.7609 3.7609 3.8402 3.8402 4.6032 4.6032 5.1898 5.1898 5.5973 5.5973 11.5063 11.5063 k = 0.0000 0.0000 0.0136 ( 4667 PWs) bands (ev): -43.0525 -43.0525 -15.2325 -15.2325 -15.0694 -15.0694 -15.0386 -15.0386 -12.7174 -12.7174 -11.6076 -11.6076 -11.5137 -11.5137 -8.3499 -8.3499 0.0356 0.0356 0.5620 0.5620 0.8039 0.8039 2.8381 2.8381 3.1381 3.1381 3.2748 3.2748 3.5915 3.5915 3.7639 3.7639 3.8415 3.8415 4.6081 4.6081 5.1985 5.1985 5.6015 5.6015 11.4922 11.4922 k = 0.0000 0.0000 0.0000 ( 4667 PWs) bands (ev): -43.0525 -43.0525 -15.2322 -15.2322 -15.0691 -15.0691 -15.0386 -15.0386 -12.7182 -12.7182 -11.6077 -11.6077 -11.5140 -11.5140 -8.3495 -8.3495 0.0348 0.0348 0.5611 0.5611 0.8031 0.8031 2.8377 2.8377 3.1388 3.1388 3.2754 3.2754 3.5928 3.5928 3.7649 3.7649 3.8420 3.8420 4.6098 4.6098 5.2014 5.2014 5.6030 5.6030 11.4875 11.4875 k = 0.0000 0.0000 0.0000 ( 4667 PWs) bands (ev): -43.0525 -43.0525 -15.2322 -15.2322 -15.0691 -15.0691 -15.0386 -15.0386 -12.7182 -12.7182 -11.6077 -11.6077 -11.5140 -11.5140 -8.3495 -8.3495 0.0348 0.0348 0.5611 0.5611 0.8031 0.8031 2.8377 2.8377 3.1388 3.1388 3.2754 3.2754 3.5928 3.5928 3.7649 3.7649 3.8420 3.8420 4.6098 4.6098 5.2014 5.2014 5.6030 5.6030 11.4875 11.4875 k =-0.0100 0.0090 0.0000 ( 4671 PWs) bands (ev): -43.0525 -43.0525 -15.2323 -15.2323 -15.0692 -15.0692 -15.0388 -15.0388 -12.7174 -12.7174 -11.6076 -11.6076 -11.5141 -11.5141 -8.3500 -8.3500 0.0353 0.0353 0.5621 0.5621 0.8040 0.8040 2.8361 2.8361 3.1385 3.1385 3.2755 3.2755 3.5926 3.5926 3.7646 3.7646 3.8418 3.8418 4.6075 4.6075 5.1993 5.1993 5.6022 5.6022 11.4905 11.4905 k =-0.0200 0.0181 0.0000 ( 4667 PWs) bands (ev): -43.0525 -43.0525 -15.2326 -15.2326 -15.0694 -15.0694 -15.0395 -15.0395 -12.7151 -12.7151 -11.6073 -11.6073 -11.5141 -11.5141 -8.3515 -8.3515 0.0368 0.0368 0.5652 0.5652 0.8069 0.8069 2.8313 2.8313 3.1376 3.1376 3.2756 3.2756 3.5922 3.5922 3.7638 3.7638 3.8412 3.8412 4.6006 4.6006 5.1929 5.1929 5.5999 5.5999 11.4995 11.4995 k =-0.0300 0.0271-0.0000 ( 4659 PWs) bands (ev): -43.0525 -43.0525 -15.2331 -15.2331 -15.0698 -15.0698 -15.0405 -15.0405 -12.7113 -12.7113 -11.6069 -11.6069 -11.5143 -11.5143 -8.3540 -8.3540 0.0393 0.0393 0.5703 0.5703 0.8117 0.8117 2.8235 2.8235 3.1360 3.1360 3.2759 3.2759 3.5914 3.5914 3.7625 3.7625 3.8402 3.8402 4.5890 4.5890 5.1823 5.1823 5.5960 5.5960 11.5144 11.5144 k =-0.0400 0.0361 0.0000 ( 4659 PWs) bands (ev): -43.0525 -43.0525 -15.2337 -15.2337 -15.0703 -15.0703 -15.0419 -15.0419 -12.7060 -12.7060 -11.6063 -11.6063 -11.5145 -11.5145 -8.3575 -8.3575 0.0427 0.0427 0.5774 0.5774 0.8184 0.8184 2.8125 2.8125 3.1337 3.1337 3.2762 3.2762 3.5904 3.5904 3.7606 3.7606 3.8389 3.8389 4.5728 4.5728 5.1677 5.1677 5.5907 5.5907 11.5350 11.5350 k =-0.0500 0.0451 0.0000 ( 4663 PWs) bands (ev): -43.0525 -43.0525 -15.2346 -15.2346 -15.0710 -15.0710 -15.0438 -15.0438 -12.6992 -12.6992 -11.6056 -11.6056 -11.5148 -11.5148 -8.3619 -8.3619 0.0471 0.0471 0.5865 0.5865 0.8270 0.8270 2.7985 2.7985 3.1308 3.1308 3.2766 3.2766 3.5892 3.5892 3.7582 3.7582 3.8372 3.8372 4.5519 4.5519 5.1494 5.1494 5.5840 5.5840 11.5611 11.5611 k =-0.0600 0.0542-0.0000 ( 4659 PWs) bands (ev): -43.0525 -43.0525 -15.2357 -15.2357 -15.0718 -15.0718 -15.0461 -15.0461 -12.6909 -12.6909 -11.6047 -11.6047 -11.5151 -11.5151 -8.3673 -8.3673 0.0523 0.0523 0.5975 0.5975 0.8375 0.8375 2.7816 2.7816 3.1274 3.1274 3.2771 3.2771 3.5878 3.5878 3.7553 3.7553 3.8352 3.8352 4.5264 4.5264 5.1277 5.1277 5.5760 5.5760 11.5925 11.5925 k =-0.0700 0.0632 0.0000 ( 4655 PWs) bands (ev): -43.0525 -43.0525 -15.2369 -15.2369 -15.0728 -15.0728 -15.0487 -15.0487 -12.6812 -12.6812 -11.6037 -11.6037 -11.5155 -11.5155 -8.3736 -8.3736 0.0583 0.0583 0.6103 0.6103 0.8499 0.8499 2.7620 2.7620 3.1233 3.1233 3.2778 3.2778 3.5862 3.5862 3.7519 3.7519 3.8329 3.8329 4.4964 4.4964 5.1029 5.1029 5.5667 5.5667 11.6289 11.6289 k =-0.0800 0.0722 0.0000 ( 4655 PWs) bands (ev): -43.0525 -43.0525 -15.2384 -15.2384 -15.0738 -15.0738 -15.0517 -15.0517 -12.6700 -12.6700 -11.6025 -11.6025 -11.5160 -11.5160 -8.3808 -8.3808 0.0651 0.0651 0.6249 0.6249 0.8642 0.8642 2.7397 2.7397 3.1186 3.1186 3.2786 3.2786 3.5845 3.5845 3.7479 3.7479 3.8303 3.8303 4.4618 4.4618 5.0753 5.0753 5.5563 5.5563 11.6700 11.6700 k =-0.0900 0.0812-0.0000 ( 4659 PWs) bands (ev): -43.0525 -43.0525 -15.2400 -15.2400 -15.0750 -15.0750 -15.0550 -15.0550 -12.6576 -12.6576 -11.6011 -11.6011 -11.5166 -11.5166 -8.3889 -8.3889 0.0726 0.0726 0.6412 0.6412 0.8802 0.8802 2.7150 2.7150 3.1134 3.1134 3.2795 3.2795 3.5827 3.5827 3.7434 3.7434 3.8276 3.8276 4.4230 4.4230 5.0452 5.0452 5.5449 5.5449 11.7154 11.7154 k =-0.1000 0.0903 0.0000 ( 4655 PWs) bands (ev): -43.0525 -43.0525 -15.2419 -15.2419 -15.0763 -15.0763 -15.0586 -15.0586 -12.6438 -12.6438 -11.5996 -11.5996 -11.5173 -11.5173 -8.3978 -8.3978 0.0807 0.0807 0.6589 0.6589 0.8981 0.8981 2.6879 2.6879 3.1077 3.1077 3.2805 3.2805 3.5809 3.5809 3.7384 3.7384 3.8246 3.8246 4.3801 4.3801 5.0130 5.0130 5.5325 5.5325 11.7649 11.7649 k =-0.1100 0.0993 0.0000 ( 4653 PWs) bands (ev): -43.0524 -43.0524 -15.2439 -15.2439 -15.0776 -15.0776 -15.0625 -15.0625 -12.6287 -12.6287 -11.5980 -11.5980 -11.5180 -11.5180 -8.4075 -8.4075 0.0894 0.0894 0.6782 0.6782 0.9177 0.9177 2.6588 2.6588 3.1015 3.1015 3.2818 3.2818 3.5792 3.5792 3.7329 3.7329 3.8214 3.8214 4.3335 4.3335 4.9787 4.9787 5.5194 5.5194 11.8181 11.8181 k =-0.1200 0.1083-0.0000 ( 4645 PWs) bands (ev): -43.0524 -43.0524 -15.2461 -15.2461 -15.0790 -15.0790 -15.0666 -15.0666 -12.6124 -12.6124 -11.5963 -11.5963 -11.5188 -11.5188 -8.4179 -8.4179 0.0985 0.0985 0.6987 0.6987 0.9390 0.9390 2.6279 2.6279 3.0948 3.0948 3.2832 3.2832 3.5775 3.5775 3.7266 3.7266 3.8182 3.8182 4.2835 4.2835 4.9428 4.9428 5.5055 5.5055 11.8747 11.8747 k =-0.1300 0.1173 0.0000 ( 4633 PWs) bands (ev): -43.0524 -43.0524 -15.2485 -15.2485 -15.0805 -15.0805 -15.0709 -15.0709 -12.5949 -12.5949 -11.5944 -11.5944 -11.5198 -11.5198 -8.4290 -8.4290 0.1080 0.1080 0.7204 0.7204 0.9619 0.9619 2.5954 2.5954 3.0876 3.0876 3.2847 3.2847 3.5759 3.5759 3.7196 3.7196 3.8148 3.8148 4.2309 4.2309 4.9053 4.9053 5.4910 5.4910 11.9344 11.9344 k =-0.1400 0.1264 0.0000 ( 4625 PWs) bands (ev): -43.0524 -43.0524 -15.2511 -15.2511 -15.0821 -15.0821 -15.0754 -15.0754 -12.5763 -12.5763 -11.5925 -11.5925 -11.5208 -11.5208 -8.4408 -8.4408 0.1178 0.1178 0.7431 0.7431 0.9863 0.9863 2.5615 2.5615 3.0800 3.0800 3.2866 3.2866 3.5744 3.5744 3.7114 3.7114 3.8114 3.8114 4.1764 4.1764 4.8663 4.8663 5.4759 5.4759 11.9968 11.9968 k =-0.1500 0.1354-0.0000 ( 4629 PWs) bands (ev): -43.0524 -43.0524 -15.2539 -15.2539 -15.0841 -15.0841 -15.0798 -15.0798 -12.5567 -12.5567 -11.5904 -11.5904 -11.5220 -11.5220 -8.4531 -8.4531 0.1279 0.1279 0.7667 0.7667 1.0122 1.0122 2.5266 2.5266 3.0721 3.0721 3.2885 3.2885 3.5730 3.5730 3.7018 3.7018 3.8077 3.8077 4.1208 4.1208 4.8259 4.8259 5.4604 5.4604 12.0618 12.0618 k =-0.1600 0.1444 0.0000 ( 4626 PWs) bands (ev): -43.0523 -43.0523 -15.2568 -15.2568 -15.0872 -15.0872 -15.0833 -15.0833 -12.5361 -12.5361 -11.5883 -11.5883 -11.5233 -11.5233 -8.4661 -8.4661 0.1381 0.1381 0.7910 0.7910 1.0394 1.0394 2.4909 2.4909 3.0638 3.0638 3.2908 3.2908 3.5717 3.5717 3.6900 3.6900 3.8040 3.8040 4.0655 4.0655 4.7842 4.7842 5.4446 5.4446 12.1290 12.1290 k =-0.1700 0.1535 0.0000 ( 4630 PWs) bands (ev): -43.0523 -43.0523 -15.2600 -15.2600 -15.0917 -15.0917 -15.0855 -15.0855 -12.5145 -12.5145 -11.5860 -11.5860 -11.5247 -11.5247 -8.4795 -8.4795 0.1484 0.1484 0.8158 0.8158 1.0678 1.0678 2.4547 2.4547 3.0551 3.0551 3.2933 3.2933 3.5704 3.5704 3.6748 3.6748 3.7999 3.7999 4.0125 4.0125 4.7413 4.7413 5.4285 5.4285 12.1983 12.1983 k =-0.1800 0.1625-0.0000 ( 4626 PWs) bands (ev): -43.0523 -43.0523 -15.2633 -15.2633 -15.0968 -15.0968 -15.0872 -15.0872 -12.4921 -12.4921 -11.5837 -11.5837 -11.5263 -11.5263 -8.4933 -8.4933 0.1587 0.1587 0.8409 0.8409 1.0974 1.0974 2.4183 2.4183 3.0462 3.0462 3.2962 3.2962 3.5691 3.5691 3.6546 3.6546 3.7954 3.7954 3.9642 3.9642 4.6972 4.6972 5.4122 5.4122 12.2692 12.2692 k =-0.1900 0.1715 0.0000 ( 4620 PWs) bands (ev): -43.0523 -43.0523 -15.2667 -15.2667 -15.1021 -15.1021 -15.0887 -15.0887 -12.4689 -12.4689 -11.5814 -11.5814 -11.5279 -11.5279 -8.5076 -8.5076 0.1689 0.1689 0.8661 0.8661 1.1279 1.1279 2.3821 2.3821 3.0371 3.0371 3.2993 3.2993 3.5676 3.5676 3.6271 3.6271 3.7904 3.7904 3.9235 3.9235 4.6520 4.6520 5.3958 5.3958 12.3417 12.3417 k =-0.2000 0.1805 0.0000 ( 4622 PWs) bands (ev): -43.0523 -43.0523 -15.2702 -15.2702 -15.1075 -15.1075 -15.0902 -15.0902 -12.4450 -12.4450 -11.5790 -11.5790 -11.5298 -11.5298 -8.5222 -8.5222 0.1791 0.1791 0.8911 0.8911 1.1595 1.1595 2.3463 2.3463 3.0277 3.0277 3.3028 3.3028 3.5656 3.5656 3.5909 3.5909 3.7849 3.7849 3.8926 3.8926 4.6058 4.6058 5.3793 5.3793 12.4156 12.4156 k =-0.2100 0.1896-0.0000 ( 4630 PWs) bands (ev): -43.0523 -43.0523 -15.2739 -15.2739 -15.1131 -15.1131 -15.0916 -15.0916 -12.4204 -12.4204 -11.5765 -11.5765 -11.5318 -11.5318 -8.5371 -8.5371 0.1890 0.1890 0.9156 0.9156 1.1919 1.1919 2.3112 2.3112 3.0182 3.0182 3.3065 3.3065 3.5436 3.5436 3.5650 3.5650 3.7795 3.7795 3.8719 3.8719 4.5586 4.5586 5.3628 5.3628 12.4905 12.4905 k =-0.2200 0.1986 0.0000 ( 4632 PWs) bands (ev): -43.0522 -43.0522 -15.2777 -15.2777 -15.1187 -15.1187 -15.0930 -15.0930 -12.3953 -12.3953 -11.5741 -11.5741 -11.5340 -11.5340 -8.5522 -8.5522 0.1987 0.1987 0.9393 0.9393 1.2252 1.2252 2.2773 2.2773 3.0086 3.0086 3.3106 3.3106 3.4905 3.4905 3.5621 3.5621 3.7750 3.7750 3.8594 3.8594 4.5106 4.5106 5.3464 5.3464 12.5664 12.5664 k =-0.2300 0.2076 0.0000 ( 4632 PWs) bands (ev): -43.0522 -43.0522 -15.2815 -15.2815 -15.1242 -15.1242 -15.0943 -15.0943 -12.3697 -12.3697 -11.5716 -11.5716 -11.5363 -11.5363 -8.5675 -8.5675 0.2081 0.2081 0.9619 0.9619 1.2595 1.2595 2.2447 2.2447 2.9989 2.9989 3.3148 3.3148 3.4314 3.4314 3.5591 3.5591 3.7719 3.7719 3.8529 3.8529 4.4620 4.4620 5.3300 5.3300 12.6430 12.6430 k =-0.2400 0.2166-0.0000 ( 4634 PWs) bands (ev): -43.0522 -43.0522 -15.2855 -15.2855 -15.1298 -15.1298 -15.0955 -15.0955 -12.3437 -12.3437 -11.5691 -11.5691 -11.5388 -11.5388 -8.5830 -8.5830 0.2172 0.2172 0.9830 0.9830 1.2947 1.2947 2.2137 2.2137 2.9892 2.9892 3.3187 3.3187 3.3695 3.3695 3.5556 3.5556 3.7704 3.7704 3.8504 3.8504 4.4131 4.4131 5.3138 5.3138 12.7201 12.7201 k =-0.2500 0.2257 0.0000 ( 4634 PWs) bands (ev): -43.0522 -43.0522 -15.2894 -15.2894 -15.1353 -15.1353 -15.0967 -15.0967 -12.3173 -12.3173 -11.5666 -11.5666 -11.5415 -11.5415 -8.5985 -8.5985 0.2258 0.2258 1.0022 1.0022 1.3310 1.3310 2.1847 2.1847 2.9795 2.9795 3.2992 3.2992 3.3292 3.3292 3.5514 3.5514 3.7701 3.7701 3.8507 3.8507 4.3642 4.3642 5.2977 5.2977 12.7976 12.7976 k =-0.2600 0.2347 0.0000 ( 4634 PWs) bands (ev): -43.0522 -43.0522 -15.2934 -15.2934 -15.1408 -15.1408 -15.0978 -15.0978 -12.2906 -12.2906 -11.5641 -11.5641 -11.5444 -11.5444 -8.6140 -8.6140 0.2341 0.2341 1.0193 1.0193 1.3684 1.3684 2.1578 2.1578 2.9698 2.9698 3.2356 3.2356 3.3324 3.3324 3.5466 3.5466 3.7708 3.7708 3.8528 3.8528 4.3160 4.3160 5.2819 5.2819 12.8752 12.8752 k =-0.2700 0.2437 0.0000 ( 4628 PWs) bands (ev): -43.0521 -43.0521 -15.2974 -15.2974 -15.1462 -15.1462 -15.0989 -15.0989 -12.2638 -12.2638 -11.5617 -11.5617 -11.5474 -11.5474 -8.6295 -8.6295 0.2418 0.2418 1.0338 1.0338 1.4071 1.4071 2.1333 2.1333 2.9601 2.9601 3.1697 3.1697 3.3380 3.3380 3.5412 3.5412 3.7720 3.7720 3.8557 3.8557 4.2694 4.2694 5.2662 5.2662 12.9527 12.9527 k =-0.2800 0.2527 0.0000 ( 4628 PWs) bands (ev): -43.0521 -43.0521 -15.3014 -15.3014 -15.1515 -15.1515 -15.0999 -15.0999 -12.2369 -12.2369 -11.5594 -11.5594 -11.5505 -11.5505 -8.6449 -8.6449 0.2491 0.2491 1.0457 1.0457 1.4471 1.4471 2.1111 2.1111 2.9506 2.9506 3.1040 3.1040 3.3442 3.3442 3.5351 3.5351 3.7732 3.7732 3.8584 3.8584 4.2255 4.2255 5.2509 5.2509 13.0299 13.0299 k =-0.2900 0.2618-0.0000 ( 4620 PWs) bands (ev): -43.0521 -43.0521 -15.3053 -15.3053 -15.1567 -15.1567 -15.1008 -15.1008 -12.2099 -12.2099 -11.5578 -11.5578 -11.5533 -11.5533 -8.6602 -8.6602 0.2558 0.2558 1.0547 1.0547 1.4886 1.4886 2.0914 2.0914 2.9413 2.9413 3.0391 3.0391 3.3507 3.3507 3.5285 3.5285 3.7736 3.7736 3.8593 3.8593 4.1863 4.1863 5.2358 5.2358 13.1066 13.1066 k =-0.3000 0.2708-0.0000 ( 4620 PWs) bands (ev): -43.0521 -43.0521 -15.3092 -15.3092 -15.1617 -15.1617 -15.1017 -15.1017 -12.1830 -12.1830 -11.5592 -11.5592 -11.5533 -11.5533 -8.6753 -8.6753 0.2619 0.2619 1.0610 1.0610 1.5316 1.5316 2.0742 2.0742 2.9321 2.9321 2.9754 2.9754 3.3575 3.3575 3.5213 3.5213 3.7722 3.7722 3.8568 3.8568 4.1545 4.1545 5.2211 5.2211 13.1826 13.1826 k =-0.3100 0.2798-0.0000 ( 4624 PWs) bands (ev): -43.0520 -43.0520 -15.3130 -15.3130 -15.1667 -15.1667 -15.1025 -15.1025 -12.1562 -12.1562 -11.5628 -11.5628 -11.5514 -11.5514 -8.6901 -8.6901 0.2676 0.2676 1.0645 1.0645 1.5762 1.5762 2.0593 2.0593 2.9131 2.9131 2.9232 2.9232 3.3644 3.3644 3.5136 3.5136 3.7668 3.7668 3.8503 3.8503 4.1325 4.1325 5.2067 5.2067 13.2575 13.2575 k =-0.3200 0.2889 0.0000 ( 4624 PWs) bands (ev): -43.0520 -43.0520 -15.3168 -15.3168 -15.1715 -15.1715 -15.1032 -15.1032 -12.1297 -12.1297 -11.5669 -11.5669 -11.5492 -11.5492 -8.7046 -8.7046 0.2726 0.2726 1.0654 1.0654 1.6222 1.6222 2.0467 2.0467 2.8528 2.8528 2.9144 2.9144 3.3715 3.3715 3.5051 3.5051 3.7539 3.7539 3.8417 3.8417 4.1218 4.1218 5.1928 5.1928 13.3311 13.3311 k =-0.3300 0.2979 0.0000 ( 4624 PWs) bands (ev): -43.0520 -43.0520 -15.3204 -15.3204 -15.1761 -15.1761 -15.1040 -15.1040 -12.1034 -12.1034 -11.5714 -11.5714 -11.5471 -11.5471 -8.7187 -8.7187 0.2772 0.2772 1.0641 1.0641 1.6697 1.6697 2.0361 2.0361 2.7946 2.7946 2.9059 2.9059 3.3787 3.3787 3.4956 3.4956 3.7301 3.7301 3.8353 3.8353 4.1217 4.1217 5.1792 5.1792 13.4031 13.4031 k =-0.3400 0.3069 0.0000 ( 4632 PWs) bands (ev): -43.0520 -43.0520 -15.3240 -15.3240 -15.1805 -15.1805 -15.1046 -15.1046 -12.0775 -12.0775 -11.5762 -11.5762 -11.5450 -11.5450 -8.7324 -8.7324 0.2811 0.2811 1.0608 1.0608 1.7187 1.7187 2.0274 2.0274 2.7386 2.7386 2.8978 2.8978 3.3857 3.3857 3.4847 3.4847 3.6963 3.6963 3.8326 3.8326 4.1299 4.1299 5.1661 5.1661 13.4731 13.4731 k =-0.3500 0.3159-0.0000 ( 4628 PWs) bands (ev): -43.0520 -43.0520 -15.3274 -15.3274 -15.1847 -15.1847 -15.1052 -15.1052 -12.0521 -12.0521 -11.5812 -11.5812 -11.5430 -11.5430 -8.7456 -8.7456 0.2846 0.2846 1.0558 1.0558 1.7691 1.7691 2.0204 2.0204 2.6851 2.6851 2.8900 2.8900 3.3926 3.3926 3.4715 3.4715 3.6566 3.6566 3.8329 3.8329 4.1440 4.1440 5.1536 5.1536 13.5407 13.5407 k =-0.3600 0.3250-0.0000 ( 4620 PWs) bands (ev): -43.0520 -43.0520 -15.3306 -15.3306 -15.1887 -15.1887 -15.1057 -15.1057 -12.0271 -12.0271 -11.5866 -11.5866 -11.5411 -11.5411 -8.7583 -8.7583 0.2875 0.2875 1.0496 1.0496 1.8207 1.8207 2.0148 2.0148 2.6342 2.6342 2.8826 2.8826 3.3987 3.3987 3.4545 3.4545 3.6157 3.6157 3.8350 3.8350 4.1619 4.1619 5.1416 5.1416 13.6056 13.6056 k =-0.3700 0.3340-0.0000 ( 4616 PWs) bands (ev): -43.0519 -43.0519 -15.3336 -15.3336 -15.1924 -15.1924 -15.1062 -15.1062 -12.0028 -12.0028 -11.5923 -11.5923 -11.5393 -11.5393 -8.7705 -8.7705 0.2900 0.2900 1.0425 1.0425 1.8733 1.8733 2.0107 2.0107 2.5863 2.5863 2.8755 2.8755 3.4019 3.4019 3.4332 3.4332 3.5784 3.5784 3.8382 3.8382 4.1823 4.1823 5.1301 5.1301 13.6672 13.6672 k =-0.3800 0.3430 0.0000 ( 4610 PWs) bands (ev): -43.0519 -43.0519 -15.3365 -15.3365 -15.1959 -15.1959 -15.1067 -15.1067 -11.9791 -11.9791 -11.5983 -11.5983 -11.5376 -11.5376 -8.7820 -8.7820 0.2920 0.2920 1.0348 1.0348 1.9262 1.9262 2.0084 2.0084 2.5413 2.5413 2.8689 2.8689 3.3854 3.3854 3.4216 3.4216 3.5485 3.5485 3.8419 3.8419 4.2039 4.2039 5.1194 5.1194 13.7249 13.7249 k =-0.3900 0.3520 0.0000 ( 4610 PWs) bands (ev): -43.0519 -43.0519 -15.3392 -15.3392 -15.1992 -15.1992 -15.1071 -15.1071 -11.9562 -11.9562 -11.6046 -11.6046 -11.5360 -11.5360 -8.7928 -8.7928 0.2937 0.2937 1.0267 1.0267 1.9748 1.9748 2.0124 2.0124 2.4994 2.4994 2.8628 2.8628 3.3441 3.3441 3.4245 3.4245 3.5269 3.5269 3.8460 3.8460 4.2261 4.2261 5.1093 5.1093 13.7782 13.7782 k =-0.4000 0.3611 0.0000 ( 4608 PWs) bands (ev): -43.0519 -43.0519 -15.3417 -15.3417 -15.2023 -15.2023 -15.1074 -15.1074 -11.9342 -11.9342 -11.6112 -11.6112 -11.5345 -11.5345 -8.8028 -8.8028 0.2950 0.2950 1.0187 1.0187 1.9931 1.9931 2.0482 2.0482 2.4608 2.4608 2.8571 2.8571 3.2928 3.2928 3.4297 3.4297 3.5117 3.5117 3.8502 3.8502 4.2481 4.2481 5.1000 5.1000 13.8262 13.8262 k =-0.4100 0.3701-0.0000 ( 4608 PWs) bands (ev): -43.0519 -43.0519 -15.3440 -15.3440 -15.2051 -15.2051 -15.1077 -15.1077 -11.9130 -11.9130 -11.6181 -11.6181 -11.5331 -11.5331 -8.8121 -8.8121 0.2959 0.2959 1.0108 1.0108 1.9942 1.9942 2.1028 2.1028 2.4257 2.4257 2.8518 2.8518 3.2362 3.2362 3.4350 3.4350 3.5006 3.5006 3.8544 3.8544 4.2693 4.2693 5.0914 5.0914 13.8684 13.8684 k =-0.4200 0.3791-0.0000 ( 4606 PWs) bands (ev): -43.0519 -43.0519 -15.3461 -15.3461 -15.2076 -15.2076 -15.1081 -15.1081 -11.8929 -11.8929 -11.6253 -11.6253 -11.5319 -11.5319 -8.8205 -8.8205 0.2966 0.2966 1.0033 1.0033 1.9935 1.9935 2.1603 2.1603 2.3942 2.3942 2.8471 2.8471 3.1765 3.1765 3.4400 3.4400 3.4922 3.4922 3.8585 3.8585 4.2895 4.2895 5.0836 5.0836 13.9039 13.9039 k =-0.4300 0.3881-0.0000 ( 4594 PWs) bands (ev): -43.0518 -43.0518 -15.3479 -15.3479 -15.2097 -15.2097 -15.1083 -15.1083 -11.8740 -11.8740 -11.6327 -11.6327 -11.5308 -11.5308 -8.8280 -8.8280 0.2971 0.2971 0.9964 0.9964 1.9926 1.9926 2.2187 2.2187 2.3667 2.3667 2.8430 2.8430 3.1149 3.1149 3.4446 3.4446 3.4856 3.4856 3.8625 3.8625 4.3081 4.3081 5.0767 5.0767 13.9324 13.9324 k =-0.4400 0.3972 0.0000 ( 4588 PWs) bands (ev): -43.0518 -43.0518 -15.3495 -15.3495 -15.2117 -15.2117 -15.1084 -15.1084 -11.8563 -11.8563 -11.6402 -11.6402 -11.5298 -11.5298 -8.8347 -8.8347 0.2974 0.2974 0.9902 0.9902 1.9917 1.9917 2.2762 2.2762 2.3449 2.3449 2.8393 2.8393 3.0520 3.0520 3.4488 3.4488 3.4803 3.4803 3.8661 3.8661 4.3248 4.3248 5.0707 5.0707 13.9536 13.9536 k =-0.4500 0.4062 0.0000 ( 4586 PWs) bands (ev): -43.0518 -43.0518 -15.3509 -15.3509 -15.2133 -15.2133 -15.1086 -15.1086 -11.8402 -11.8402 -11.6476 -11.6476 -11.5290 -11.5290 -8.8404 -8.8404 0.2976 0.2976 0.9848 0.9848 1.9909 1.9909 2.3090 2.3090 2.3520 2.3520 2.8362 2.8362 2.9885 2.9885 3.4524 3.4524 3.4760 3.4760 3.8693 3.8693 4.3394 4.3394 5.0656 5.0656 13.9681 13.9681 k =-0.4600 0.4152 0.0000 ( 4600 PWs) bands (ev): -43.0518 -43.0518 -15.3521 -15.3521 -15.2147 -15.2147 -15.1088 -15.1088 -11.8259 -11.8259 -11.6548 -11.6548 -11.5284 -11.5284 -8.8450 -8.8450 0.2977 0.2977 0.9803 0.9803 1.9902 1.9902 2.2984 2.2984 2.4069 2.4069 2.8336 2.8336 2.9246 2.9246 3.4553 3.4553 3.4726 3.4726 3.8720 3.8720 4.3516 4.3516 5.0614 5.0614 13.9771 13.9771 k =-0.4700 0.4243-0.0000 ( 4602 PWs) bands (ev): -43.0518 -43.0518 -15.3530 -15.3530 -15.2158 -15.2158 -15.1090 -15.1090 -11.8137 -11.8137 -11.6614 -11.6614 -11.5278 -11.5278 -8.8487 -8.8487 0.2977 0.2977 0.9767 0.9767 1.9896 1.9896 2.2863 2.2863 2.4675 2.4675 2.8316 2.8316 2.8609 2.8609 3.4577 3.4577 3.4700 3.4700 3.8742 3.8742 4.3613 4.3613 5.0581 5.0581 13.9821 13.9821 k =-0.4800 0.4333-0.0000 ( 4598 PWs) bands (ev): -43.0518 -43.0518 -15.3536 -15.3536 -15.2165 -15.2165 -15.1090 -15.1090 -11.8043 -11.8043 -11.6668 -11.6668 -11.5275 -11.5275 -8.8514 -8.8514 0.2978 0.2978 0.9741 0.9741 1.9892 1.9892 2.2771 2.2771 2.5285 2.5285 2.7981 2.7981 2.8302 2.8302 3.4595 3.4595 3.4681 3.4681 3.8758 3.8758 4.3684 4.3684 5.0558 5.0558 13.9845 13.9845 k =-0.4900 0.4423-0.0000 ( 4590 PWs) bands (ev): -43.0518 -43.0518 -15.3540 -15.3540 -15.2170 -15.2170 -15.1090 -15.1090 -11.7982 -11.7982 -11.6704 -11.6704 -11.5272 -11.5272 -8.8529 -8.8529 0.2977 0.2977 0.9725 0.9725 1.9890 1.9890 2.2716 2.2716 2.5867 2.5867 2.7389 2.7389 2.8293 2.8293 3.4606 3.4606 3.4669 3.4669 3.8768 3.8768 4.3726 4.3726 5.0544 5.0544 13.9854 13.9854 k =-0.5000 0.4513 0.0000 ( 4598 PWs) bands (ev): -43.0518 -43.0518 -15.3541 -15.3541 -15.2171 -15.2171 -15.1091 -15.1091 -11.7961 -11.7961 -11.6717 -11.6717 -11.5272 -11.5272 -8.8535 -8.8535 0.2977 0.2977 0.9720 0.9720 1.9888 1.9888 2.2698 2.2698 2.6220 2.6220 2.7032 2.7032 2.8290 2.8290 3.4610 3.4610 3.4665 3.4665 3.8772 3.8772 4.3741 4.3741 5.0539 5.0539 13.9857 13.9857 k =-0.5000 0.4513 0.0000 ( 4598 PWs) bands (ev): -43.0518 -43.0518 -15.3541 -15.3541 -15.2171 -15.2171 -15.1091 -15.1091 -11.7961 -11.7961 -11.6717 -11.6717 -11.5272 -11.5272 -8.8535 -8.8535 0.2977 0.2977 0.9720 0.9720 1.9888 1.9888 2.2698 2.2698 2.6220 2.6220 2.7032 2.7032 2.8290 2.8290 3.4610 3.4610 3.4665 3.4665 3.8772 3.8772 4.3741 4.3741 5.0539 5.0539 13.9857 13.9857 k =-0.4923 0.4599-0.0000 ( 4586 PWs) bands (ev): -43.0518 -43.0518 -15.3540 -15.3540 -15.2170 -15.2170 -15.1090 -15.1090 -11.7964 -11.7964 -11.6717 -11.6717 -11.5274 -11.5274 -8.8533 -8.8533 0.2990 0.2990 0.9723 0.9723 1.9901 1.9901 2.2699 2.2699 2.6223 2.6223 2.6917 2.6917 2.8389 2.8389 3.4604 3.4604 3.4684 3.4684 3.8763 3.8763 4.3746 4.3746 5.0516 5.0516 13.9843 13.9843 k =-0.4846 0.4684-0.0000 ( 4586 PWs) bands (ev): -43.0518 -43.0518 -15.3538 -15.3538 -15.2167 -15.2167 -15.1090 -15.1090 -11.7972 -11.7972 -11.6716 -11.6716 -11.5283 -11.5283 -8.8528 -8.8528 0.3027 0.3027 0.9732 0.9732 1.9938 1.9938 2.2705 2.2705 2.6232 2.6232 2.6642 2.6642 2.8618 2.8618 3.4586 3.4586 3.4738 3.4738 3.8736 3.8736 4.3763 4.3763 5.0446 5.0446 13.9800 13.9800 k =-0.4769 0.4770-0.0000 ( 4584 PWs) bands (ev): -43.0518 -43.0518 -15.3534 -15.3534 -15.2163 -15.2163 -15.1089 -15.1089 -11.7987 -11.7987 -11.6714 -11.6714 -11.5296 -11.5296 -8.8520 -8.8520 0.3088 0.3088 0.9747 0.9747 1.9999 1.9999 2.2716 2.2716 2.6246 2.6246 2.6291 2.6291 2.8893 2.8893 3.4558 3.4558 3.4826 3.4826 3.8693 3.8693 4.3791 4.3791 5.0330 5.0330 13.9728 13.9728 k =-0.4691 0.4855-0.0000 ( 4584 PWs) bands (ev): -43.0518 -43.0518 -15.3528 -15.3528 -15.2157 -15.2157 -15.1089 -15.1089 -11.8008 -11.8008 -11.6712 -11.6712 -11.5314 -11.5314 -8.8508 -8.8508 0.3172 0.3172 0.9768 0.9768 2.0084 2.0084 2.2730 2.2730 2.5902 2.5902 2.6266 2.6266 2.9176 2.9176 3.4519 3.4519 3.4948 3.4948 3.8633 3.8633 4.3828 4.3828 5.0169 5.0169 13.9622 13.9622 k =-0.4614 0.4941-0.0000 ( 4588 PWs) bands (ev): -43.0518 -43.0518 -15.3522 -15.3522 -15.2149 -15.2149 -15.1088 -15.1088 -11.8035 -11.8035 -11.6709 -11.6709 -11.5336 -11.5336 -8.8493 -8.8493 0.3280 0.3280 0.9795 0.9795 2.0191 2.0191 2.2749 2.2749 2.5493 2.5493 2.6291 2.6291 2.9451 2.9451 3.4469 3.4469 3.5102 3.5102 3.8559 3.8559 4.3874 4.3874 4.9965 4.9965 13.9482 13.9482 k =-0.4537 0.5026-0.0000 ( 4582 PWs) bands (ev): -43.0518 -43.0518 -15.3513 -15.3513 -15.2139 -15.2139 -15.1087 -15.1087 -11.8070 -11.8070 -11.6706 -11.6706 -11.5361 -11.5361 -8.8474 -8.8474 0.3410 0.3410 0.9828 0.9828 2.0321 2.0321 2.2774 2.2774 2.5069 2.5069 2.6322 2.6322 2.9713 2.9713 3.4409 3.4409 3.5288 3.5288 3.8471 3.8471 4.3928 4.3928 4.9721 4.9721 13.9305 13.9305 k =-0.4537 0.5026-0.0000 ( 4582 PWs) bands (ev): -43.0518 -43.0518 -15.3513 -15.3513 -15.2139 -15.2139 -15.1087 -15.1087 -11.8070 -11.8070 -11.6706 -11.6706 -11.5361 -11.5361 -8.8474 -8.8474 0.3410 0.3410 0.9828 0.9828 2.0321 2.0321 2.2774 2.2774 2.5069 2.5069 2.6322 2.6322 2.9713 2.9713 3.4409 3.4409 3.5288 3.5288 3.8471 3.8471 4.3928 4.3928 4.9721 4.9721 13.9305 13.9305 k =-0.4537 0.5026 0.0136 ( 4588 PWs) bands (ev): -43.0518 -43.0518 -15.3514 -15.3514 -15.2139 -15.2139 -15.1092 -15.1092 -11.8061 -11.8061 -11.6705 -11.6705 -11.5360 -11.5360 -8.8470 -8.8470 0.3385 0.3385 0.9787 0.9787 2.0260 2.0260 2.2507 2.2507 2.5311 2.5311 2.6373 2.6373 2.9796 2.9796 3.4410 3.4410 3.5300 3.5300 3.8471 3.8471 4.3933 4.3933 4.9727 4.9727 13.9330 13.9330 k =-0.4537 0.5026 0.0272 ( 4590 PWs) bands (ev): -43.0518 -43.0518 -15.3515 -15.3515 -15.2139 -15.2139 -15.1106 -15.1106 -11.8035 -11.8035 -11.6703 -11.6703 -11.5357 -11.5357 -8.8458 -8.8458 0.3309 0.3309 0.9663 0.9663 2.0044 2.0044 2.1959 2.1959 2.5811 2.5811 2.6531 2.6531 3.0044 3.0044 3.4412 3.4412 3.5337 3.5337 3.8473 3.8473 4.3949 4.3949 4.9746 4.9746 13.9404 13.9404 k =-0.4537 0.5026 0.0407 ( 4590 PWs) bands (ev): -43.0518 -43.0518 -15.3517 -15.3517 -15.2138 -15.2138 -15.1130 -15.1130 -11.7991 -11.7991 -11.6699 -11.6699 -11.5352 -11.5352 -8.8438 -8.8438 0.3183 0.3183 0.9462 0.9462 1.9597 1.9597 2.1445 2.1445 2.6326 2.6326 2.6801 2.6801 3.0449 3.0449 3.4417 3.4417 3.5400 3.5400 3.8475 3.8475 4.3976 4.3976 4.9776 4.9776 13.9523 13.9523 k =-0.4537 0.5026 0.0543 ( 4591 PWs) bands (ev): -43.0518 -43.0518 -15.3521 -15.3521 -15.2138 -15.2138 -15.1163 -15.1163 -11.7931 -11.7931 -11.6693 -11.6693 -11.5345 -11.5345 -8.8410 -8.8410 0.3011 0.3011 0.9192 0.9192 1.8891 1.8891 2.1086 2.1086 2.6780 2.6780 2.7176 2.7176 3.0985 3.0985 3.4423 3.4423 3.5492 3.5492 3.8478 3.8478 4.4015 4.4015 4.9820 4.9820 13.9679 13.9679 k =-0.4537 0.5026 0.0679 ( 4594 PWs) bands (ev): -43.0518 -43.0518 -15.3526 -15.3526 -15.2137 -15.2137 -15.1204 -15.1204 -11.7854 -11.7854 -11.6686 -11.6686 -11.5336 -11.5336 -8.8375 -8.8375 0.2795 0.2795 0.8860 0.8860 1.8010 1.8010 2.0837 2.0837 2.7205 2.7205 2.7608 2.7608 3.1613 3.1613 3.4431 3.4431 3.5618 3.5618 3.8482 3.8482 4.4067 4.4067 4.9876 4.9876 13.9860 13.9860 k =-0.4537 0.5026 0.0815 ( 4596 PWs) bands (ev): -43.0518 -43.0518 -15.3532 -15.3532 -15.2135 -15.2135 -15.1254 -15.1254 -11.7762 -11.7762 -11.6677 -11.6677 -11.5326 -11.5326 -8.8332 -8.8332 0.2538 0.2538 0.8476 0.8476 1.7039 1.7039 2.0633 2.0633 2.7644 2.7644 2.8057 2.8057 3.2287 3.2287 3.4441 3.4441 3.5788 3.5788 3.8488 3.8488 4.4133 4.4133 4.9945 4.9945 14.0049 14.0049 k =-0.4537 0.5026 0.0951 ( 4594 PWs) bands (ev): -43.0518 -43.0518 -15.3539 -15.3539 -15.2134 -15.2134 -15.1311 -15.1311 -11.7655 -11.7655 -11.6667 -11.6667 -11.5313 -11.5313 -8.8282 -8.8282 0.2244 0.2244 0.8049 0.8049 1.6024 1.6024 2.0441 2.0441 2.8101 2.8101 2.8522 2.8522 3.2958 3.2958 3.4454 3.4454 3.6014 3.6014 3.8494 3.8494 4.4215 4.4215 5.0028 5.0028 14.0225 14.0225 k =-0.4537 0.5026 0.1087 ( 4591 PWs) bands (ev): -43.0518 -43.0518 -15.3547 -15.3547 -15.2132 -15.2132 -15.1374 -15.1374 -11.7534 -11.7534 -11.6655 -11.6655 -11.5297 -11.5297 -8.8225 -8.8225 0.1917 0.1917 0.7588 0.7588 1.4990 1.4990 2.0247 2.0247 2.8570 2.8570 2.9014 2.9014 3.3578 3.3578 3.4471 3.4471 3.6317 3.6317 3.8501 3.8501 4.4314 4.4314 5.0125 5.0125 14.0363 14.0363 k =-0.4537 0.5026 0.1222 ( 4593 PWs) bands (ev): -43.0517 -43.0517 -15.3558 -15.3558 -15.2130 -15.2130 -15.1444 -15.1444 -11.7400 -11.7400 -11.6642 -11.6642 -11.5280 -11.5280 -8.8161 -8.8161 0.1561 0.1561 0.7101 0.7101 1.3949 1.3949 2.0045 2.0045 2.9039 2.9039 2.9539 2.9539 3.4102 3.4102 3.4501 3.4501 3.6711 3.6711 3.8509 3.8509 4.4435 4.4435 5.0236 5.0236 14.0447 14.0447 k =-0.4537 0.5026 0.1358 ( 4595 PWs) bands (ev): -43.0517 -43.0517 -15.3570 -15.3570 -15.2129 -15.2129 -15.1518 -15.1518 -11.7255 -11.7255 -11.6628 -11.6628 -11.5261 -11.5261 -8.8091 -8.8091 0.1180 0.1180 0.6594 0.6594 1.2910 1.2910 1.9833 1.9833 2.9505 2.9505 3.0097 3.0097 3.4413 3.4413 3.4644 3.4644 3.7199 3.7199 3.8520 3.8520 4.4578 4.4578 5.0362 5.0362 14.0465 14.0465 k =-0.4537 0.5026 0.1494 ( 4603 PWs) bands (ev): -43.0517 -43.0517 -15.3584 -15.3584 -15.2127 -15.2127 -15.1597 -15.1597 -11.7100 -11.7100 -11.6612 -11.6612 -11.5239 -11.5239 -8.8014 -8.8014 0.0778 0.0778 0.6073 0.6073 1.1879 1.1879 1.9612 1.9612 2.9967 2.9967 3.0679 3.0679 3.4474 3.4474 3.4947 3.4947 3.7756 3.7756 3.8533 3.8533 4.4749 4.4749 5.0502 5.0502 14.0420 14.0420 k =-0.4537 0.5026 0.1630 ( 4613 PWs) bands (ev): -43.0517 -43.0517 -15.3601 -15.3601 -15.2126 -15.2126 -15.1679 -15.1679 -11.6937 -11.6937 -11.6594 -11.6594 -11.5215 -11.5215 -8.7932 -8.7932 0.0358 0.0358 0.5544 0.5544 1.0862 1.0862 1.9380 1.9380 3.0427 3.0427 3.1276 3.1276 3.4500 3.4500 3.5220 3.5220 3.8324 3.8324 3.8573 3.8573 4.4950 4.4950 5.0659 5.0659 14.0319 14.0319 k =-0.4537 0.5026 0.1766 ( 4617 PWs) bands (ev): -43.0517 -43.0517 -15.3621 -15.3621 -15.2125 -15.2125 -15.1761 -15.1761 -11.6769 -11.6769 -11.6573 -11.6573 -11.5188 -11.5188 -8.7845 -8.7845 -0.0075 -0.0075 0.5011 0.5011 0.9862 0.9862 1.9141 1.9141 3.0885 3.0885 3.1880 3.1880 3.4520 3.4520 3.5455 3.5455 3.8523 3.8523 3.8989 3.8989 4.5184 4.5184 5.0830 5.0830 14.0171 14.0171 k =-0.4537 0.5026 0.1902 ( 4623 PWs) bands (ev): -43.0516 -43.0516 -15.3644 -15.3644 -15.2125 -15.2125 -15.1844 -15.1844 -11.6616 -11.6616 -11.6531 -11.6531 -11.5157 -11.5157 -8.7754 -8.7754 -0.0520 -0.0520 0.4478 0.4478 0.8883 0.8883 1.8894 1.8894 3.1339 3.1339 3.2482 3.2482 3.4540 3.4540 3.5664 3.5664 3.8546 3.8546 3.9566 3.9566 4.5456 4.5456 5.1017 5.1017 13.9987 13.9987 k =-0.4537 0.5026 0.2037 ( 4625 PWs) bands (ev): -43.0516 -43.0516 -15.3669 -15.3669 -15.2127 -15.2127 -15.1924 -15.1924 -11.6557 -11.6557 -11.6391 -11.6391 -11.5122 -11.5122 -8.7658 -8.7658 -0.0973 -0.0973 0.3948 0.3948 0.7929 0.7929 1.8642 1.8642 3.1787 3.1787 3.3076 3.3076 3.4561 3.4561 3.5858 3.5858 3.8561 3.8561 4.0120 4.0120 4.5765 4.5765 5.1219 5.1219 13.9775 13.9775 k =-0.4537 0.5026 0.2173 ( 4628 PWs) bands (ev): -43.0516 -43.0516 -15.3699 -15.3699 -15.2135 -15.2135 -15.1997 -15.1997 -11.6533 -11.6533 -11.6216 -11.6216 -11.5082 -11.5082 -8.7559 -8.7559 -0.1432 -0.1432 0.3423 0.3423 0.7002 0.7002 1.8385 1.8385 3.2228 3.2228 3.3656 3.3656 3.4581 3.4581 3.6039 3.6039 3.8575 3.8575 4.0640 4.0640 4.6111 4.6111 5.1436 5.1436 13.9540 13.9540 k =-0.4537 0.5026 0.2309 ( 4629 PWs) bands (ev): -43.0516 -43.0516 -15.3732 -15.3732 -15.2160 -15.2160 -15.2049 -15.2049 -11.6511 -11.6511 -11.6042 -11.6042 -11.5033 -11.5033 -8.7456 -8.7456 -0.1893 -0.1893 0.2906 0.2906 0.6106 0.6106 1.8126 1.8126 3.2657 3.2657 3.4216 3.4216 3.4602 3.4602 3.6213 3.6213 3.8590 3.8590 4.1122 4.1122 4.6492 4.6492 5.1667 5.1667 13.9290 13.9290 k =-0.4537 0.5026 0.2445 ( 4627 PWs) bands (ev): -43.0515 -43.0515 -15.3770 -15.3770 -15.2211 -15.2211 -15.2073 -15.2073 -11.6490 -11.6490 -11.5874 -11.5874 -11.4974 -11.4974 -8.7352 -8.7352 -0.2356 -0.2356 0.2399 0.2399 0.5244 0.5244 1.7865 1.7865 3.3074 3.3074 3.4624 3.4624 3.4752 3.4752 3.6379 3.6379 3.8605 3.8605 4.1569 4.1569 4.6903 4.6903 5.1910 5.1910 13.9028 13.9028 k =-0.4537 0.5026 0.2581 ( 4624 PWs) bands (ev): -43.0515 -43.0515 -15.3811 -15.3811 -15.2274 -15.2274 -15.2080 -15.2080 -11.6469 -11.6469 -11.5719 -11.5719 -11.4900 -11.4900 -8.7245 -8.7245 -0.2818 -0.2818 0.1903 0.1903 0.4418 0.4418 1.7605 1.7605 3.3475 3.3475 3.4648 3.4648 3.5257 3.5257 3.6540 3.6540 3.8622 3.8622 4.1986 4.1986 4.7337 4.7337 5.2164 5.2164 13.8759 13.8759 k =-0.4537 0.5026 0.2716 ( 4625 PWs) bands (ev): -43.0515 -43.0515 -15.3857 -15.3857 -15.2338 -15.2338 -15.2081 -15.2081 -11.6449 -11.6449 -11.5583 -11.5583 -11.4807 -11.4807 -8.7138 -8.7138 -0.3277 -0.3277 0.1418 0.1418 0.3631 0.3631 1.7347 1.7347 3.3856 3.3856 3.4674 3.4674 3.5729 3.5729 3.6696 3.6696 3.8639 3.8639 4.2380 4.2380 4.7787 4.7787 5.2426 5.2426 13.8485 13.8486 k =-0.4537 0.5026 0.2852 ( 4625 PWs) bands (ev): -43.0514 -43.0514 -15.3907 -15.3907 -15.2398 -15.2398 -15.2081 -15.2081 -11.6428 -11.6428 -11.5470 -11.5470 -11.4692 -11.4692 -8.7030 -8.7030 -0.3731 -0.3731 0.0947 0.0947 0.2887 0.2887 1.7092 1.7092 3.4212 3.4212 3.4707 3.4707 3.6164 3.6164 3.6846 3.6846 3.8658 3.8658 4.2756 4.2756 4.8246 4.8246 5.2695 5.2695 13.8210 13.8210 k =-0.4537 0.5026 0.2988 ( 4626 PWs) bands (ev): -43.0514 -43.0514 -15.3961 -15.3961 -15.2454 -15.2454 -15.2079 -15.2079 -11.6408 -11.6408 -11.5379 -11.5379 -11.4558 -11.4558 -8.6923 -8.6923 -0.4178 -0.4178 0.0487 0.0487 0.2188 0.2188 1.6842 1.6842 3.4514 3.4514 3.4776 3.4776 3.6559 3.6559 3.6990 3.6990 3.8679 3.8679 4.3121 4.3121 4.8709 4.8709 5.2966 5.2966 13.7937 13.7937 k =-0.4537 0.5026 0.3124 ( 4626 PWs) bands (ev): -43.0514 -43.0514 -15.4017 -15.4017 -15.2504 -15.2504 -15.2077 -15.2077 -11.6388 -11.6388 -11.5308 -11.5308 -11.4410 -11.4410 -8.6816 -8.6816 -0.4618 -0.4618 0.0040 0.0040 0.1538 0.1538 1.6598 1.6598 3.4660 3.4660 3.4981 3.4981 3.6910 3.6910 3.7129 3.7129 3.8703 3.8703 4.3479 4.3479 4.9170 4.9170 5.3238 5.3238 13.7666 13.7666 k =-0.4537 0.5026 0.3260 ( 4632 PWs) bands (ev): -43.0514 -43.0514 -15.4077 -15.4077 -15.2549 -15.2549 -15.2074 -15.2074 -11.6368 -11.6368 -11.5251 -11.5251 -11.4252 -11.4252 -8.6712 -8.6712 -0.5047 -0.5047 -0.0395 -0.0395 0.0938 0.0938 1.6361 1.6361 3.4707 3.4707 3.5264 3.5264 3.7201 3.7201 3.7279 3.7279 3.8730 3.8730 4.3830 4.3830 4.9625 4.9625 5.3507 5.3507 13.7400 13.7400 k =-0.4537 0.5026 0.3396 ( 4634 PWs) bands (ev): -43.0513 -43.0513 -15.4137 -15.4137 -15.2589 -15.2589 -15.2072 -15.2072 -11.6349 -11.6349 -11.5204 -11.5204 -11.4091 -11.4091 -8.6609 -8.6609 -0.5463 -0.5463 -0.0818 -0.0818 0.0390 0.0390 1.6133 1.6133 3.4735 3.4735 3.5545 3.5545 3.7360 3.7360 3.7510 3.7510 3.8762 3.8762 4.4176 4.4176 5.0070 5.0070 5.3771 5.3771 13.7140 13.7141 k =-0.4537 0.5026 0.3531 ( 4632 PWs) bands (ev): -43.0513 -43.0513 -15.4198 -15.4198 -15.2624 -15.2624 -15.2069 -15.2069 -11.6331 -11.6331 -11.5166 -11.5166 -11.3930 -11.3930 -8.6510 -8.6510 -0.5866 -0.5866 -0.1228 -0.1228 -0.0103 -0.0103 1.5915 1.5915 3.4758 3.4758 3.5812 3.5812 3.7476 3.7476 3.7735 3.7735 3.8799 3.8799 4.4515 4.4515 5.0502 5.0502 5.4025 5.4025 13.6884 13.6884 k =-0.4537 0.5026 0.3667 ( 4632 PWs) bands (ev): -43.0513 -43.0513 -15.4258 -15.4258 -15.2654 -15.2654 -15.2067 -15.2067 -11.6314 -11.6314 -11.5133 -11.5133 -11.3774 -11.3774 -8.6415 -8.6415 -0.6251 -0.6251 -0.1623 -0.1623 -0.0545 -0.0545 1.5708 1.5708 3.4777 3.4777 3.6060 3.6060 3.7579 3.7579 3.7923 3.7923 3.8843 3.8843 4.4847 4.4847 5.0918 5.0918 5.4267 5.4267 13.6616 13.6616 k =-0.4537 0.5026 0.3803 ( 4631 PWs) bands (ev): -43.0512 -43.0512 -15.4317 -15.4317 -15.2680 -15.2680 -15.2064 -15.2064 -11.6297 -11.6297 -11.5104 -11.5104 -11.3623 -11.3623 -8.6325 -8.6325 -0.6618 -0.6618 -0.2001 -0.2001 -0.0937 -0.0937 1.5513 1.5513 3.4795 3.4795 3.6290 3.6290 3.7671 3.7671 3.8075 3.8075 3.8894 3.8894 4.5167 4.5167 5.1315 5.1315 5.4495 5.4495 13.6216 13.6217 k =-0.4537 0.5026 0.3939 ( 4634 PWs) bands (ev): -43.0512 -43.0512 -15.4374 -15.4374 -15.2703 -15.2703 -15.2062 -15.2062 -11.6282 -11.6282 -11.5080 -11.5080 -11.3481 -11.3481 -8.6240 -8.6240 -0.6963 -0.6963 -0.2356 -0.2356 -0.1283 -0.1283 1.5332 1.5332 3.4812 3.4812 3.6501 3.6501 3.7751 3.7751 3.8192 3.8192 3.8951 3.8951 4.5473 4.5473 5.1691 5.1691 5.4706 5.4706 13.5638 13.5638 k =-0.4537 0.5026 0.4075 ( 4630 PWs) bands (ev): -43.0512 -43.0512 -15.4428 -15.4428 -15.2722 -15.2722 -15.2060 -15.2060 -11.6267 -11.6267 -11.5058 -11.5058 -11.3349 -11.3349 -8.6161 -8.6161 -0.7284 -0.7284 -0.2684 -0.2684 -0.1588 -0.1588 1.5165 1.5165 3.4827 3.4827 3.6696 3.6696 3.7820 3.7820 3.8282 3.8282 3.9012 3.9012 4.5762 4.5762 5.2043 5.2043 5.4899 5.4899 13.5064 13.5064 k =-0.4537 0.5026 0.4211 ( 4626 PWs) bands (ev): -43.0512 -43.0512 -15.4478 -15.4478 -15.2738 -15.2738 -15.2058 -15.2058 -11.6254 -11.6254 -11.5039 -11.5039 -11.3227 -11.3227 -8.6088 -8.6088 -0.7579 -0.7579 -0.2983 -0.2983 -0.1855 -0.1855 1.5013 1.5013 3.4841 3.4841 3.6873 3.6873 3.7877 3.7877 3.8348 3.8348 3.9073 3.9073 4.6030 4.6030 5.2370 5.2370 5.5071 5.5071 13.4538 13.4538 k =-0.4537 0.5026 0.4346 ( 4622 PWs) bands (ev): -43.0512 -43.0512 -15.4523 -15.4523 -15.2751 -15.2751 -15.2056 -15.2056 -11.6242 -11.6242 -11.5022 -11.5022 -11.3117 -11.3117 -8.6022 -8.6022 -0.7845 -0.7845 -0.3249 -0.3249 -0.2086 -0.2086 1.4877 1.4877 3.4853 3.4853 3.7033 3.7033 3.7923 3.7923 3.8397 3.8397 3.9131 3.9131 4.6274 4.6274 5.2667 5.2667 5.5223 5.5223 13.4067 13.4067 k =-0.4537 0.5026 0.4482 ( 4616 PWs) bands (ev): -43.0511 -43.0511 -15.4563 -15.4563 -15.2762 -15.2762 -15.2054 -15.2054 -11.6232 -11.6232 -11.5008 -11.5008 -11.3021 -11.3021 -8.5965 -8.5965 -0.8080 -0.8080 -0.3481 -0.3481 -0.2284 -0.2284 1.4758 1.4758 3.4864 3.4864 3.7177 3.7177 3.7957 3.7957 3.8433 3.8433 3.9185 3.9185 4.6491 4.6491 5.2932 5.2932 5.5354 5.5354 13.3654 13.3654 k =-0.4537 0.5026 0.4618 ( 4614 PWs) bands (ev): -43.0511 -43.0511 -15.4599 -15.4599 -15.2771 -15.2771 -15.2053 -15.2053 -11.6223 -11.6223 -11.4996 -11.4996 -11.2938 -11.2938 -8.5915 -8.5915 -0.8282 -0.8282 -0.3678 -0.3678 -0.2450 -0.2450 1.4655 1.4655 3.4874 3.4874 3.7304 3.7304 3.7979 3.7979 3.8460 3.8460 3.9231 3.9231 4.6679 4.6679 5.3163 5.3163 5.5463 5.5463 13.3302 13.3302 k =-0.4537 0.5026 0.4754 ( 4620 PWs) bands (ev): -43.0511 -43.0511 -15.4628 -15.4628 -15.2778 -15.2778 -15.2052 -15.2052 -11.6216 -11.6216 -11.4986 -11.4986 -11.2869 -11.2869 -8.5873 -8.5873 -0.8450 -0.8450 -0.3840 -0.3840 -0.2584 -0.2584 1.4571 1.4571 3.4881 3.4881 3.7414 3.7414 3.7991 3.7991 3.8479 3.8479 3.9268 3.9268 4.6836 4.6836 5.3357 5.3357 5.5550 5.5550 13.3012 13.3012 k =-0.4537 0.5026 0.4890 ( 4622 PWs) bands (ev): -43.0511 -43.0511 -15.4651 -15.4651 -15.2784 -15.2784 -15.2051 -15.2051 -11.6210 -11.6210 -11.4978 -11.4978 -11.2815 -11.2815 -8.5841 -8.5841 -0.8583 -0.8583 -0.3966 -0.3966 -0.2689 -0.2689 1.4505 1.4505 3.4887 3.4887 3.7506 3.7506 3.7993 3.7993 3.8493 3.8493 3.9298 3.9298 4.6960 4.6960 5.3512 5.3512 5.5617 5.5617 13.2785 13.2785 k =-0.4537 0.5026 0.5025 ( 4630 PWs) bands (ev): -43.0511 -43.0511 -15.4669 -15.4669 -15.2788 -15.2788 -15.2050 -15.2050 -11.6206 -11.6206 -11.4973 -11.4973 -11.2776 -11.2776 -8.5817 -8.5817 -0.8678 -0.8678 -0.4056 -0.4056 -0.2763 -0.2763 1.4457 1.4457 3.4891 3.4891 3.7577 3.7577 3.7989 3.7989 3.8502 3.8502 3.9319 3.9319 4.7049 4.7049 5.3624 5.3624 5.5664 5.5664 13.2623 13.2623 k =-0.4537 0.5026 0.5161 ( 4624 PWs) bands (ev): -43.0511 -43.0511 -15.4678 -15.4678 -15.2790 -15.2790 -15.2050 -15.2050 -11.6203 -11.6203 -11.4970 -11.4970 -11.2753 -11.2753 -8.5803 -8.5803 -0.8735 -0.8735 -0.4110 -0.4110 -0.2807 -0.2807 1.4429 1.4429 3.4894 3.4894 3.7623 3.7623 3.7984 3.7984 3.8507 3.8507 3.9332 3.9332 4.7103 4.7103 5.3692 5.3692 5.5691 5.5691 13.2525 13.2525 k =-0.4537 0.5026 0.5297 ( 4624 PWs) bands (ev): -43.0511 -43.0511 -15.4682 -15.4682 -15.2791 -15.2791 -15.2050 -15.2050 -11.6203 -11.6203 -11.4969 -11.4969 -11.2745 -11.2745 -8.5799 -8.5799 -0.8755 -0.8755 -0.4128 -0.4128 -0.2822 -0.2822 1.4419 1.4419 3.4895 3.4895 3.7640 3.7640 3.7981 3.7981 3.8509 3.8509 3.9337 3.9337 4.7121 4.7121 5.3715 5.3715 5.5701 5.5701 13.2492 13.2492 k =-0.4537 0.5026 0.5297 ( 4624 PWs) bands (ev): -43.0511 -43.0511 -15.4682 -15.4682 -15.2791 -15.2791 -15.2050 -15.2050 -11.6203 -11.6203 -11.4969 -11.4969 -11.2745 -11.2745 -8.5799 -8.5799 -0.8755 -0.8755 -0.4128 -0.4128 -0.2822 -0.2822 1.4419 1.4419 3.4895 3.4895 3.7640 3.7640 3.7981 3.7981 3.8509 3.8509 3.9337 3.9337 4.7121 4.7121 5.3715 5.3715 5.5701 5.5701 13.2492 13.2492 k =-0.4614 0.4941 0.5297 ( 4628 PWs) bands (ev): -43.0511 -43.0511 -15.4683 -15.4683 -15.2799 -15.2799 -15.2059 -15.2059 -11.6204 -11.6204 -11.4924 -11.4924 -11.2747 -11.2747 -8.5756 -8.5756 -0.8876 -0.8876 -0.4276 -0.4276 -0.2966 -0.2966 1.4337 1.4337 3.4903 3.4903 3.7655 3.7655 3.8040 3.8040 3.8647 3.8647 3.9363 3.9363 4.7236 4.7236 5.3823 5.3823 5.5949 5.5949 13.2313 13.2313 k =-0.4691 0.4855 0.5297 ( 4640 PWs) bands (ev): -43.0511 -43.0511 -15.4685 -15.4685 -15.2806 -15.2806 -15.2068 -15.2068 -11.6206 -11.6206 -11.4887 -11.4887 -11.2749 -11.2749 -8.5720 -8.5720 -0.8977 -0.8977 -0.4400 -0.4400 -0.3081 -0.3081 1.4269 1.4269 3.4910 3.4910 3.7667 3.7667 3.8087 3.8087 3.8759 3.8759 3.9385 3.9385 4.7329 4.7329 5.3911 5.3911 5.6156 5.6156 13.2165 13.2165 k =-0.4769 0.4770 0.5297 ( 4644 PWs) bands (ev): -43.0511 -43.0511 -15.4685 -15.4685 -15.2812 -15.2812 -15.2074 -15.2074 -11.6207 -11.6207 -11.4858 -11.4858 -11.2750 -11.2750 -8.5692 -8.5692 -0.9056 -0.9056 -0.4499 -0.4499 -0.3167 -0.3167 1.4216 1.4216 3.4915 3.4915 3.7677 3.7677 3.8123 3.8123 3.8848 3.8848 3.9403 3.9403 4.7401 4.7401 5.3979 5.3979 5.6320 5.6320 13.2049 13.2049 k =-0.4846 0.4684 0.5297 ( 4644 PWs) bands (ev): -43.0511 -43.0511 -15.4686 -15.4686 -15.2815 -15.2815 -15.2078 -15.2078 -11.6208 -11.6208 -11.4838 -11.4838 -11.2751 -11.2751 -8.5672 -8.5672 -0.9113 -0.9113 -0.4570 -0.4570 -0.3228 -0.3228 1.4179 1.4179 3.4919 3.4919 3.7683 3.7683 3.8149 3.8149 3.8912 3.8912 3.9415 3.9415 4.7452 4.7452 5.4029 5.4029 5.6439 5.6439 13.1966 13.1966 k =-0.4923 0.4599 0.5297 ( 4640 PWs) bands (ev): -43.0511 -43.0511 -15.4687 -15.4687 -15.2817 -15.2817 -15.2081 -15.2081 -11.6208 -11.6208 -11.4825 -11.4825 -11.2752 -11.2752 -8.5660 -8.5660 -0.9147 -0.9147 -0.4614 -0.4614 -0.3264 -0.3264 1.4156 1.4156 3.4921 3.4921 3.7687 3.7687 3.8164 3.8164 3.8950 3.8950 3.9423 3.9423 4.7483 4.7483 5.4058 5.4058 5.6511 5.6511 13.1916 13.1916 k =-0.5000 0.4513 0.5297 ( 4640 PWs) bands (ev): -43.0511 -43.0511 -15.4687 -15.4687 -15.2818 -15.2818 -15.2082 -15.2082 -11.6208 -11.6208 -11.4821 -11.4821 -11.2752 -11.2752 -8.5656 -8.5656 -0.9159 -0.9159 -0.4628 -0.4628 -0.3275 -0.3275 1.4149 1.4149 3.4921 3.4921 3.7689 3.7689 3.8169 3.8169 3.8963 3.8963 3.9426 3.9426 4.7494 4.7494 5.4068 5.4068 5.6535 5.6535 13.1900 13.1900 k =-0.5000 0.4513 0.5297 ( 4640 PWs) bands (ev): -43.0511 -43.0511 -15.4687 -15.4687 -15.2818 -15.2818 -15.2082 -15.2082 -11.6208 -11.6208 -11.4821 -11.4821 -11.2752 -11.2752 -8.5656 -8.5656 -0.9159 -0.9159 -0.4628 -0.4628 -0.3275 -0.3275 1.4149 1.4149 3.4921 3.4921 3.7689 3.7689 3.8169 3.8169 3.8963 3.8963 3.9426 3.9426 4.7494 4.7494 5.4068 5.4068 5.6535 5.6535 13.1900 13.1900 k =-0.5000 0.4513 0.5161 ( 4636 PWs) bands (ev): -43.0511 -43.0511 -15.4683 -15.4683 -15.2817 -15.2817 -15.2082 -15.2082 -11.6209 -11.6209 -11.4822 -11.4822 -11.2760 -11.2760 -8.5661 -8.5661 -0.9138 -0.9138 -0.4610 -0.4610 -0.3261 -0.3261 1.4158 1.4158 3.4921 3.4921 3.7685 3.7685 3.8160 3.8160 3.8962 3.8962 3.9421 3.9421 4.7475 4.7475 5.4048 5.4048 5.6520 5.6520 13.1934 13.1934 k =-0.5000 0.4513 0.5025 ( 4636 PWs) bands (ev): -43.0511 -43.0511 -15.4673 -15.4673 -15.2815 -15.2815 -15.2082 -15.2082 -11.6212 -11.6212 -11.4824 -11.4824 -11.2785 -11.2785 -8.5676 -8.5676 -0.9078 -0.9078 -0.4555 -0.4555 -0.3219 -0.3219 1.4187 1.4187 3.4919 3.4919 3.7672 3.7672 3.8132 3.8132 3.8960 3.8960 3.9404 3.9404 4.7420 4.7420 5.3990 5.3990 5.6477 5.6477 13.2035 13.2035 k =-0.5000 0.4513 0.4890 ( 4640 PWs) bands (ev): -43.0511 -43.0511 -15.4657 -15.4657 -15.2811 -15.2811 -15.2083 -15.2083 -11.6216 -11.6216 -11.4828 -11.4828 -11.2825 -11.2825 -8.5701 -8.5701 -0.8977 -0.8977 -0.4463 -0.4463 -0.3149 -0.3149 1.4234 1.4234 3.4917 3.4917 3.7650 3.7650 3.8084 3.8084 3.8958 3.8958 3.9376 3.9376 4.7328 4.7328 5.3892 5.3892 5.6407 5.6407 13.2203 13.2203 k =-0.5000 0.4513 0.4754 ( 4634 PWs) bands (ev): -43.0511 -43.0511 -15.4633 -15.4633 -15.2805 -15.2805 -15.2083 -15.2083 -11.6222 -11.6222 -11.4833 -11.4833 -11.2880 -11.2880 -8.5736 -8.5736 -0.8838 -0.8838 -0.4334 -0.4334 -0.3051 -0.3051 1.4301 1.4301 3.4913 3.4913 3.7620 3.7620 3.8017 3.8017 3.8954 3.8954 3.9336 3.9336 4.7201 4.7201 5.3756 5.3756 5.6309 5.6309 13.2438 13.2438 k =-0.5000 0.4513 0.4618 ( 4638 PWs) bands (ev): -43.0511 -43.0511 -15.4604 -15.4604 -15.2798 -15.2798 -15.2085 -15.2085 -11.6229 -11.6229 -11.4840 -11.4840 -11.2951 -11.2951 -8.5781 -8.5781 -0.8661 -0.8661 -0.4168 -0.4168 -0.2925 -0.2925 1.4386 1.4386 3.4908 3.4908 3.7580 3.7580 3.7931 3.7931 3.8948 3.8948 3.9283 3.9283 4.7040 4.7040 5.3583 5.3583 5.6184 5.6184 13.2738 13.2738 k =-0.5000 0.4513 0.4482 ( 4632 PWs) bands (ev): -43.0511 -43.0511 -15.4569 -15.4569 -15.2789 -15.2789 -15.2086 -15.2086 -11.6238 -11.6238 -11.4847 -11.4847 -11.3037 -11.3037 -8.5835 -8.5835 -0.8448 -0.8448 -0.3964 -0.3964 -0.2771 -0.2771 1.4488 1.4488 3.4903 3.4903 3.7533 3.7533 3.7826 3.7826 3.8940 3.8940 3.9219 3.9219 4.6846 4.6846 5.3372 5.3372 5.6035 5.6035 13.3102 13.3102 k =-0.5000 0.4513 0.4346 ( 4628 PWs) bands (ev): -43.0512 -43.0512 -15.4529 -15.4529 -15.2777 -15.2777 -15.2087 -15.2087 -11.6249 -11.6249 -11.4857 -11.4857 -11.3138 -11.3138 -8.5897 -8.5897 -0.8201 -0.8201 -0.3721 -0.3721 -0.2588 -0.2588 1.4608 1.4608 3.4896 3.4896 3.7476 3.7476 3.7702 3.7702 3.8927 3.8927 3.9143 3.9143 4.6621 4.6621 5.3127 5.3127 5.5864 5.5864 13.3529 13.3529 k =-0.5000 0.4513 0.4211 ( 4628 PWs) bands (ev): -43.0512 -43.0512 -15.4484 -15.4484 -15.2763 -15.2763 -15.2089 -15.2089 -11.6260 -11.6260 -11.4867 -11.4867 -11.3252 -11.3252 -8.5968 -8.5968 -0.7922 -0.7922 -0.3441 -0.3441 -0.2376 -0.2376 1.4745 1.4745 3.4889 3.4889 3.7407 3.7407 3.7561 3.7561 3.8900 3.8900 3.9063 3.9063 4.6368 4.6368 5.2846 5.2846 5.5671 5.5671 13.4015 13.4015 k =-0.5000 0.4513 0.4075 ( 4628 PWs) bands (ev): -43.0512 -43.0512 -15.4434 -15.4434 -15.2747 -15.2747 -15.2091 -15.2091 -11.6274 -11.6274 -11.4879 -11.4879 -11.3380 -11.3380 -8.6046 -8.6046 -0.7614 -0.7614 -0.3122 -0.3122 -0.2134 -0.2134 1.4898 1.4898 3.4880 3.4880 3.7314 3.7314 3.7415 3.7415 3.8835 3.8835 3.9001 3.9001 4.6089 4.6089 5.2532 5.2532 5.5459 5.5459 13.4557 13.4557 k =-0.5000 0.4513 0.3939 ( 4640 PWs) bands (ev): -43.0512 -43.0512 -15.4381 -15.4381 -15.2727 -15.2727 -15.2093 -15.2093 -11.6288 -11.6288 -11.4892 -11.4892 -11.3520 -11.3520 -8.6132 -8.6132 -0.7279 -0.7279 -0.2767 -0.2767 -0.1860 -0.1860 1.5065 1.5065 3.4871 3.4871 3.7163 3.7163 3.7299 3.7299 3.8716 3.8716 3.8969 3.8969 4.5787 4.5787 5.2187 5.2187 5.5231 5.5231 13.5134 13.5134 k =-0.5000 0.4513 0.3803 ( 4640 PWs) bands (ev): -43.0512 -43.0512 -15.4325 -15.4325 -15.2704 -15.2704 -15.2096 -15.2096 -11.6304 -11.6304 -11.4906 -11.4906 -11.3671 -11.3671 -8.6223 -8.6223 -0.6921 -0.6921 -0.2377 -0.2377 -0.1552 -0.1552 1.5248 1.5248 3.4860 3.4860 3.6963 3.6963 3.7204 3.7204 3.8557 3.8557 3.8953 3.8953 4.5466 4.5466 5.1811 5.1811 5.4990 5.4990 13.5593 13.5593 k =-0.5000 0.4513 0.3667 ( 4636 PWs) bands (ev): -43.0513 -43.0513 -15.4267 -15.4267 -15.2677 -15.2677 -15.2098 -15.2098 -11.6320 -11.6320 -11.4921 -11.4921 -11.3833 -11.3833 -8.6321 -8.6321 -0.6541 -0.6541 -0.1958 -0.1958 -0.1203 -0.1203 1.5444 1.5444 3.4850 3.4850 3.6735 3.6735 3.7109 3.7109 3.8366 3.8366 3.8941 3.8941 4.5128 4.5128 5.1406 5.1406 5.4737 5.4737 13.5866 13.5866 k =-0.5000 0.4513 0.3531 ( 4634 PWs) bands (ev): -43.0513 -43.0513 -15.4207 -15.4207 -15.2646 -15.2646 -15.2100 -15.2100 -11.6338 -11.6338 -11.4937 -11.4937 -11.4005 -11.4005 -8.6423 -8.6423 -0.6144 -0.6144 -0.1518 -0.1518 -0.0805 -0.0805 1.5651 1.5651 3.4838 3.4838 3.6484 3.6484 3.7010 3.7010 3.8142 3.8142 3.8931 3.8931 4.4778 4.4778 5.0974 5.0974 5.4478 5.4478 13.6120 13.6120 k =-0.5000 0.4513 0.3396 ( 4640 PWs) bands (ev): -43.0513 -43.0513 -15.4148 -15.4148 -15.2611 -15.2611 -15.2103 -15.2103 -11.6356 -11.6356 -11.4954 -11.4954 -11.4185 -11.4185 -8.6530 -8.6530 -0.5732 -0.5732 -0.1070 -0.1070 -0.0346 -0.0346 1.5871 1.5871 3.4825 3.4825 3.6211 3.6211 3.6904 3.6904 3.7882 3.7882 3.8921 3.8921 4.4418 4.4418 5.0518 5.0518 5.4213 5.4213 13.6381 13.6381 k =-0.5000 0.4513 0.3260 ( 4636 PWs) bands (ev): -43.0513 -43.0513 -15.4088 -15.4088 -15.2570 -15.2570 -15.2105 -15.2105 -11.6375 -11.6375 -11.4971 -11.4971 -11.4373 -11.4373 -8.6640 -8.6640 -0.5307 -0.5307 -0.0621 -0.0621 0.0181 0.0181 1.6100 1.6100 3.4812 3.4812 3.5918 3.5918 3.6794 3.6794 3.7586 3.7586 3.8912 3.8912 4.4050 4.4050 5.0039 5.0039 5.3947 5.3947 13.6651 13.6651 k =-0.5000 0.4513 0.3124 ( 4638 PWs) bands (ev): -43.0514 -43.0514 -15.4031 -15.4031 -15.2524 -15.2524 -15.2108 -15.2108 -11.6395 -11.6395 -11.4990 -11.4990 -11.4567 -11.4567 -8.6753 -8.6753 -0.4873 -0.4873 -0.0172 -0.0172 0.0776 0.0776 1.6338 1.6338 3.4796 3.4796 3.5605 3.5605 3.6678 3.6678 3.7250 3.7250 3.8903 3.8903 4.3676 4.3676 4.9543 4.9543 5.3682 5.3682 13.6928 13.6928 k =-0.5000 0.4513 0.2988 ( 4638 PWs) bands (ev): -43.0514 -43.0514 -15.3976 -15.3976 -15.2472 -15.2472 -15.2109 -15.2109 -11.6415 -11.6415 -11.5012 -11.5012 -11.4763 -11.4763 -8.6867 -8.6867 -0.4429 -0.4429 0.0279 0.0279 0.1434 0.1434 1.6584 1.6584 3.4775 3.4775 3.5278 3.5278 3.6557 3.6557 3.6875 3.6875 3.8895 3.8895 4.3295 4.3295 4.9032 4.9032 5.3420 5.3420 13.7213 13.7213 k =-0.5000 0.4513 0.2852 ( 4636 PWs) bands (ev): -43.0514 -43.0514 -15.3923 -15.3923 -15.2416 -15.2416 -15.2111 -15.2111 -11.6436 -11.6436 -11.5050 -11.5050 -11.4947 -11.4947 -8.6983 -8.6983 -0.3980 -0.3980 0.0739 0.0739 0.2147 0.2147 1.6836 1.6836 3.4726 3.4726 3.4960 3.4960 3.6424 3.6424 3.6467 3.6467 3.8886 3.8886 4.2904 4.2904 4.8514 4.8514 5.3164 5.3164 13.7502 13.7502 k =-0.5000 0.4513 0.2716 ( 4632 PWs) bands (ev): -43.0515 -43.0515 -15.3875 -15.3875 -15.2355 -15.2355 -15.2110 -15.2110 -11.6456 -11.6456 -11.5197 -11.5197 -11.5025 -11.5025 -8.7099 -8.7099 -0.3526 -0.3526 0.1210 0.1210 0.2909 0.2909 1.7094 1.7094 3.4494 3.4494 3.4808 3.4808 3.6000 3.6000 3.6305 3.6305 3.8877 3.8877 4.2498 4.2498 4.7995 4.7995 5.2916 5.2916 13.7795 13.7795 k =-0.5000 0.4513 0.2581 ( 4634 PWs) bands (ev): -43.0515 -43.0515 -15.3830 -15.3830 -15.2291 -15.2291 -15.2107 -15.2107 -11.6477 -11.6477 -11.5398 -11.5398 -11.5051 -11.5051 -8.7215 -8.7215 -0.3070 -0.3070 0.1693 0.1693 0.3717 0.3717 1.7354 1.7354 3.4129 3.4129 3.4774 3.4774 3.5506 3.5506 3.6171 3.6171 3.8868 3.8868 4.2071 4.2071 4.7484 4.7484 5.2678 5.2678 13.8088 13.8088 k =-0.5000 0.4513 0.2445 ( 4638 PWs) bands (ev): -43.0515 -43.0515 -15.3790 -15.3790 -15.2231 -15.2231 -15.2097 -15.2097 -11.6498 -11.6498 -11.5605 -11.5605 -11.5071 -11.5071 -8.7329 -8.7329 -0.2613 -0.2613 0.2189 0.2189 0.4566 0.4566 1.7616 1.7616 3.3735 3.3735 3.4755 3.4755 3.4978 3.4978 3.6034 3.6034 3.8860 3.8860 4.1614 4.1614 4.6990 4.6990 5.2450 5.2450 13.8379 13.8379 k =-0.5000 0.4513 0.2309 ( 4634 PWs) bands (ev): -43.0516 -43.0516 -15.3753 -15.3753 -15.2186 -15.2186 -15.2066 -15.2066 -11.6519 -11.6519 -11.5811 -11.5811 -11.5090 -11.5090 -8.7442 -8.7442 -0.2156 -0.2156 0.2697 0.2697 0.5453 0.5453 1.7879 1.7879 3.3328 3.3328 3.4419 3.4419 3.4741 3.4741 3.5894 3.5894 3.8851 3.8851 4.1118 4.1118 4.6523 4.6523 5.2235 5.2235 13.8666 13.8666 k =-0.5000 0.4513 0.2173 ( 4624 PWs) bands (ev): -43.0516 -43.0516 -15.3720 -15.3720 -15.2165 -15.2165 -15.2007 -15.2007 -11.6539 -11.6539 -11.6015 -11.6015 -11.5108 -11.5108 -8.7552 -8.7552 -0.1702 -0.1702 0.3215 0.3215 0.6375 0.6375 1.8141 1.8141 3.2909 3.2909 3.3836 3.3836 3.4727 3.4727 3.5751 3.5751 3.8843 3.8843 4.0574 4.0574 4.6092 4.6092 5.2032 5.2032 13.8946 13.8946 k =-0.5000 0.4513 0.2037 ( 4628 PWs) bands (ev): -43.0516 -43.0516 -15.3692 -15.3692 -15.2159 -15.2159 -15.1932 -15.1932 -11.6560 -11.6560 -11.6214 -11.6214 -11.5126 -11.5126 -8.7658 -8.7658 -0.1252 -0.1252 0.3742 0.3742 0.7329 0.7329 1.8400 1.8400 3.2483 3.2483 3.3233 3.3233 3.4714 3.4714 3.5602 3.5602 3.8834 3.8834 3.9978 3.9978 4.5704 4.5704 5.1843 5.1843 13.9215 13.9215 k =-0.5000 0.4513 0.1902 ( 4620 PWs) bands (ev): -43.0516 -43.0516 -15.3667 -15.3667 -15.2157 -15.2157 -15.1851 -15.1851 -11.6584 -11.6584 -11.6406 -11.6406 -11.5143 -11.5143 -8.7761 -8.7761 -0.0809 -0.0809 0.4276 0.4276 0.8312 0.8312 1.8656 1.8656 3.2051 3.2051 3.2620 3.2620 3.4701 3.4701 3.5448 3.5448 3.8823 3.8823 3.9331 3.9331 4.5362 4.5362 5.1667 5.1667 13.9469 13.9469 k =-0.5000 0.4513 0.1766 ( 4612 PWs) bands (ev): -43.0516 -43.0516 -15.3645 -15.3645 -15.2157 -15.2157 -15.1767 -15.1767 -11.6639 -11.6639 -11.6558 -11.6558 -11.5159 -11.5159 -8.7860 -8.7860 -0.0376 -0.0376 0.4814 0.4814 0.9320 0.9320 1.8905 1.8905 3.1608 3.1608 3.2009 3.2009 3.4690 3.4690 3.5284 3.5284 3.8613 3.8613 3.8835 3.8835 4.5066 4.5066 5.1504 5.1504 13.9704 13.9704 k =-0.5000 0.4513 0.1630 ( 4614 PWs) bands (ev): -43.0517 -43.0517 -15.3626 -15.3626 -15.2158 -15.2158 -15.1684 -15.1684 -11.6795 -11.6795 -11.6601 -11.6601 -11.5175 -11.5175 -8.7953 -8.7953 0.0046 0.0046 0.5352 0.5352 1.0350 1.0350 1.9149 1.9149 3.1134 3.1134 3.1430 3.1430 3.4678 3.4678 3.5102 3.5102 3.7888 3.7888 3.8817 3.8817 4.4812 4.4812 5.1356 5.1356 13.9915 13.9915 k =-0.5000 0.4513 0.1494 ( 4606 PWs) bands (ev): -43.0517 -43.0517 -15.3610 -15.3610 -15.2159 -15.2159 -15.1602 -15.1602 -11.6964 -11.6964 -11.6621 -11.6621 -11.5189 -11.5189 -8.8041 -8.8041 0.0452 0.0452 0.5888 0.5888 1.1398 1.1398 1.9384 1.9384 3.0592 3.0592 3.0934 3.0934 3.4668 3.4668 3.4883 3.4883 3.7143 3.7143 3.8810 3.8810 4.4598 4.4598 5.1220 5.1220 14.0097 14.0097 k =-0.5000 0.4513 0.1358 ( 4606 PWs) bands (ev): -43.0517 -43.0517 -15.3596 -15.3596 -15.2161 -15.2161 -15.1523 -15.1523 -11.7125 -11.7125 -11.6638 -11.6638 -11.5203 -11.5203 -8.8123 -8.8123 0.0841 0.0841 0.6416 0.6416 1.2460 1.2460 1.9611 1.9611 3.0002 3.0002 3.0507 3.0507 3.4583 3.4583 3.4658 3.4658 3.6436 3.6436 3.8803 3.8803 4.4417 4.4417 5.1098 5.1098 14.0241 14.0241 k =-0.5000 0.4513 0.1222 ( 4606 PWs) bands (ev): -43.0517 -43.0517 -15.3584 -15.3584 -15.2163 -15.2163 -15.1449 -15.1449 -11.7275 -11.7275 -11.6652 -11.6652 -11.5215 -11.5215 -8.8199 -8.8199 0.1208 0.1208 0.6931 0.6931 1.3530 1.3530 1.9830 1.9830 2.9408 2.9408 3.0120 3.0120 3.4125 3.4125 3.4649 3.4649 3.5854 3.5854 3.8797 3.8797 4.4267 4.4267 5.0989 5.0989 14.0340 14.0340 k =-0.5000 0.4513 0.1087 ( 4608 PWs) bands (ev): -43.0518 -43.0518 -15.3574 -15.3574 -15.2165 -15.2165 -15.1379 -15.1379 -11.7413 -11.7413 -11.6666 -11.6666 -11.5227 -11.5227 -8.8267 -8.8267 0.1550 0.1550 0.7427 0.7427 1.4600 1.4600 2.0042 2.0042 2.8832 2.8832 2.9762 2.9762 3.3458 3.3458 3.4641 3.4641 3.5455 3.5455 3.8792 3.8792 4.4141 4.4141 5.0892 5.0892 14.0388 14.0388 k =-0.5000 0.4513 0.0951 ( 4602 PWs) bands (ev): -43.0518 -43.0518 -15.3566 -15.3566 -15.2166 -15.2166 -15.1315 -15.1315 -11.7537 -11.7537 -11.6677 -11.6677 -11.5237 -11.5237 -8.8329 -8.8329 0.1864 0.1864 0.7897 0.7897 1.5661 1.5661 2.0250 2.0250 2.8286 2.8286 2.9435 2.9435 3.2630 3.2630 3.4634 3.4634 3.5203 3.5203 3.8787 3.8787 4.4037 4.4037 5.0808 5.0808 14.0383 14.0383 k =-0.5000 0.4513 0.0815 ( 4596 PWs) bands (ev): -43.0518 -43.0518 -15.3559 -15.3559 -15.2167 -15.2167 -15.1257 -15.1257 -11.7647 -11.7647 -11.6688 -11.6688 -11.5246 -11.5246 -8.8382 -8.8382 0.2146 0.2146 0.8333 0.8333 1.6695 1.6695 2.0465 2.0465 2.7781 2.7781 2.9140 2.9140 3.1712 3.1712 3.4627 3.4627 3.5033 3.5033 3.8783 3.8783 4.3953 4.3953 5.0736 5.0736 14.0328 14.0328 k =-0.5000 0.4513 0.0679 ( 4592 PWs) bands (ev): -43.0518 -43.0518 -15.3553 -15.3553 -15.2168 -15.2168 -15.1208 -15.1208 -11.7741 -11.7741 -11.6696 -11.6696 -11.5254 -11.5254 -8.8428 -8.8428 0.2391 0.2391 0.8726 0.8726 1.7670 1.7670 2.0705 2.0705 2.7328 2.7328 2.8882 2.8882 3.0755 3.0755 3.4622 3.4622 3.4910 3.4910 3.8780 3.8780 4.3885 4.3885 5.0675 5.0675 14.0236 14.0236 k =-0.5000 0.4513 0.0543 ( 4588 PWs) bands (ev): -43.0518 -43.0518 -15.3548 -15.3548 -15.2169 -15.2169 -15.1166 -15.1166 -11.7819 -11.7819 -11.6704 -11.6704 -11.5260 -11.5260 -8.8466 -8.8466 0.2598 0.2598 0.9066 0.9066 1.8532 1.8532 2.1010 2.1010 2.6939 2.6939 2.8661 2.8661 2.9792 2.9792 3.4617 3.4617 3.4818 3.4818 3.8777 3.8777 4.3831 4.3831 5.0626 5.0626 14.0128 14.0128 k =-0.5000 0.4513 0.0407 ( 4590 PWs) bands (ev): -43.0518 -43.0518 -15.3545 -15.3545 -15.2170 -15.2170 -15.1134 -15.1134 -11.7881 -11.7881 -11.6709 -11.6709 -11.5265 -11.5265 -8.8496 -8.8496 0.2762 0.2762 0.9344 0.9344 1.9197 1.9197 2.1434 2.1434 2.6624 2.6624 2.8463 2.8463 2.8876 2.8876 3.4614 3.4614 3.4750 3.4750 3.8775 3.8775 4.3791 4.3791 5.0588 5.0588 14.0021 14.0021 k =-0.5000 0.4513 0.0272 ( 4578 PWs) bands (ev): -43.0518 -43.0518 -15.3542 -15.3542 -15.2170 -15.2170 -15.1109 -15.1109 -11.7925 -11.7925 -11.6714 -11.6714 -11.5269 -11.5269 -8.8518 -8.8518 0.2881 0.2881 0.9550 0.9550 1.9616 1.9616 2.1974 2.1974 2.6394 2.6394 2.7943 2.7943 2.8413 2.8413 3.4612 3.4612 3.4703 3.4703 3.8773 3.8773 4.3763 4.3763 5.0561 5.0561 13.9933 13.9933 k =-0.5000 0.4513 0.0136 ( 4582 PWs) bands (ev): -43.0518 -43.0518 -15.3541 -15.3541 -15.2171 -15.2171 -15.1095 -15.1095 -11.7952 -11.7952 -11.6716 -11.6716 -11.5271 -11.5271 -8.8530 -8.8530 0.2953 0.2953 0.9677 0.9677 1.9826 1.9826 2.2479 2.2479 2.6260 2.6260 2.7299 2.7299 2.8318 2.8318 3.4611 3.4611 3.4675 3.4675 3.8772 3.8772 4.3746 4.3746 5.0544 5.0544 13.9876 13.9876 k =-0.5000 0.4513 0.0000 ( 4598 PWs) bands (ev): -43.0518 -43.0518 -15.3541 -15.3541 -15.2171 -15.2171 -15.1091 -15.1091 -11.7961 -11.7961 -11.6717 -11.6717 -11.5272 -11.5272 -8.8535 -8.8535 0.2977 0.2977 0.9720 0.9720 1.9888 1.9888 2.2698 2.2698 2.6220 2.6220 2.7032 2.7032 2.8290 2.8290 3.4610 3.4610 3.4665 3.4665 3.8772 3.8772 4.3741 4.3741 5.0539 5.0539 13.9857 13.9857 k = 0.0000 0.0000 0.5297 ( 4628 PWs) bands (ev): -43.0517 -43.0517 -15.4657 -15.4657 -15.1360 -15.1360 -15.0358 -15.0358 -12.1714 -12.1714 -11.5854 -11.5854 -11.4229 -11.4229 -8.6305 -8.6305 0.7340 0.7340 1.5571 1.5571 2.0000 2.0000 2.0466 2.0466 2.4100 2.4100 2.7117 2.7117 2.9304 2.9304 3.0942 3.0942 3.4382 3.4382 3.8080 3.8080 3.9292 3.9292 4.9274 4.9274 13.6104 13.6104 k =-0.0100 0.0090 0.5297 ( 4626 PWs) bands (ev): -43.0517 -43.0517 -15.4656 -15.4656 -15.1361 -15.1361 -15.0360 -15.0360 -12.1708 -12.1708 -11.5853 -11.5853 -11.4227 -11.4227 -8.6305 -8.6305 0.7315 0.7315 1.5501 1.5501 1.9928 1.9928 2.0581 2.0581 2.4109 2.4109 2.7143 2.7143 2.9258 2.9258 3.0957 3.0957 3.4394 3.4394 3.8109 3.8109 3.9292 3.9292 4.9280 4.9280 13.6124 13.6124 k =-0.0200 0.0181 0.5297 ( 4626 PWs) bands (ev): -43.0517 -43.0517 -15.4656 -15.4656 -15.1366 -15.1366 -15.0366 -15.0366 -12.1691 -12.1691 -11.5849 -11.5849 -11.4222 -11.4222 -8.6308 -8.6308 0.7240 0.7240 1.5297 1.5297 1.9808 1.9808 2.0818 2.0818 2.4138 2.4138 2.7218 2.7218 2.9127 2.9127 3.1002 3.1002 3.4428 3.4428 3.8195 3.8195 3.9290 3.9290 4.9297 4.9297 13.6184 13.6184 k =-0.0300 0.0271 0.5297 ( 4618 PWs) bands (ev): -43.0517 -43.0517 -15.4656 -15.4656 -15.1374 -15.1374 -15.0375 -15.0375 -12.1664 -12.1664 -11.5844 -11.5844 -11.4213 -11.4213 -8.6312 -8.6312 0.7115 0.7115 1.4977 1.4977 1.9710 1.9710 2.1090 2.1090 2.4186 2.4186 2.7341 2.7341 2.8917 2.8917 3.1077 3.1077 3.4485 3.4485 3.8332 3.8332 3.9289 3.9289 4.9325 4.9325 13.6284 13.6284 k =-0.0400 0.0361 0.5297 ( 4622 PWs) bands (ev): -43.0517 -43.0517 -15.4655 -15.4655 -15.1385 -15.1385 -15.0389 -15.0389 -12.1625 -12.1625 -11.5837 -11.5837 -11.4201 -11.4201 -8.6317 -8.6317 0.6944 0.6944 1.4565 1.4565 1.9638 1.9638 2.1362 2.1362 2.4252 2.4252 2.7509 2.7509 2.8643 2.8643 3.1186 3.1186 3.4564 3.4564 3.8511 3.8511 3.9287 3.9287 4.9365 4.9365 13.6424 13.6424 k =-0.0500 0.0451 0.5297 ( 4622 PWs) bands (ev): -43.0517 -43.0517 -15.4655 -15.4655 -15.1399 -15.1399 -15.0406 -15.0406 -12.1576 -12.1576 -11.5827 -11.5827 -11.4185 -11.4185 -8.6323 -8.6323 0.6729 0.6729 1.4081 1.4081 1.9585 1.9585 2.1613 2.1613 2.4336 2.4336 2.7717 2.7717 2.8321 2.8321 3.1331 3.1331 3.4665 3.4665 3.8723 3.8723 3.9285 3.9285 4.9416 4.9416 13.6604 13.6604 k =-0.0600 0.0542 0.5297 ( 4628 PWs) bands (ev): -43.0517 -43.0517 -15.4654 -15.4654 -15.1417 -15.1417 -15.0427 -15.0427 -12.1516 -12.1516 -11.5816 -11.5816 -11.4166 -11.4166 -8.6331 -8.6331 0.6472 0.6472 1.3545 1.3545 1.9540 1.9540 2.1828 2.1828 2.4439 2.4439 2.7952 2.7952 2.7979 2.7979 3.1513 3.1513 3.4788 3.4788 3.8958 3.8958 3.9287 3.9287 4.9478 4.9478 13.6824 13.6824 k =-0.0700 0.0632 0.5297 ( 4636 PWs) bands (ev): -43.0517 -43.0517 -15.4654 -15.4654 -15.1438 -15.1438 -15.0452 -15.0452 -12.1447 -12.1447 -11.5802 -11.5802 -11.4144 -11.4144 -8.6340 -8.6340 0.6177 0.6177 1.2971 1.2971 1.9487 1.9487 2.1995 2.1995 2.4559 2.4559 2.7604 2.7604 2.8241 2.8241 3.1734 3.1734 3.4932 3.4932 3.9180 3.9180 3.9322 3.9322 4.9551 4.9551 13.7085 13.7085 k =-0.0800 0.0722 0.5297 ( 4636 PWs) bands (ev): -43.0517 -43.0517 -15.4653 -15.4653 -15.1461 -15.1461 -15.0480 -15.0480 -12.1367 -12.1367 -11.5787 -11.5787 -11.4119 -11.4119 -8.6349 -8.6349 0.5847 0.5847 1.2370 1.2370 1.9410 1.9410 2.2108 2.2108 2.4698 2.4698 2.7254 2.7254 2.8545 2.8545 3.1990 3.1990 3.5098 3.5098 3.9243 3.9243 3.9529 3.9529 4.9635 4.9635 13.7387 13.7387 k =-0.0900 0.0812 0.5297 ( 4640 PWs) bands (ev): -43.0517 -43.0517 -15.4652 -15.4652 -15.1487 -15.1487 -15.0511 -15.0511 -12.1277 -12.1277 -11.5770 -11.5770 -11.4090 -11.4090 -8.6359 -8.6359 0.5488 0.5488 1.1750 1.1750 1.9293 1.9293 2.2165 2.2165 2.4854 2.4854 2.6941 2.6941 2.8872 2.8872 3.2278 3.2278 3.5288 3.5288 3.9245 3.9245 3.9804 3.9804 4.9730 4.9730 13.7729 13.7729 k =-0.1000 0.0903 0.5297 ( 4642 PWs) bands (ev): -43.0517 -43.0517 -15.4652 -15.4652 -15.1515 -15.1515 -15.0545 -15.0545 -12.1179 -12.1179 -11.5751 -11.5751 -11.4059 -11.4059 -8.6369 -8.6369 0.5101 0.5101 1.1117 1.1117 1.9115 1.9115 2.2163 2.2163 2.5026 2.5026 2.6687 2.6687 2.9218 2.9218 3.2590 3.2590 3.5504 3.5504 3.9241 3.9241 4.0093 4.0093 4.9836 4.9836 13.8112 13.8112 k =-0.1100 0.0993 0.5297 ( 4638 PWs) bands (ev): -43.0517 -43.0517 -15.4650 -15.4650 -15.1546 -15.1546 -15.0581 -15.0581 -12.1071 -12.1071 -11.5730 -11.5730 -11.4026 -11.4026 -8.6380 -8.6380 0.4690 0.4690 1.0476 1.0476 1.8861 1.8861 2.2108 2.2108 2.5215 2.5215 2.6512 2.6512 2.9578 2.9578 3.2918 3.2918 3.5749 3.5749 3.9234 3.9234 4.0388 4.0388 4.9953 4.9953 13.8536 13.8536 k =-0.1200 0.1083 0.5297 ( 4638 PWs) bands (ev): -43.0517 -43.0517 -15.4649 -15.4649 -15.1580 -15.1580 -15.0621 -15.0621 -12.0955 -12.0955 -11.5708 -11.5708 -11.3990 -11.3990 -8.6389 -8.6389 0.4259 0.4259 0.9832 0.9832 1.8518 1.8518 2.2007 2.2007 2.5419 2.5419 2.6429 2.6429 2.9950 2.9950 3.3249 3.3249 3.6026 3.6026 3.9227 3.9227 4.0687 4.0687 5.0080 5.0080 13.9001 13.9001 k =-0.1300 0.1173 0.5297 ( 4642 PWs) bands (ev): -43.0516 -43.0516 -15.4648 -15.4648 -15.1615 -15.1615 -15.0663 -15.0663 -12.0831 -12.0831 -11.5685 -11.5685 -11.3951 -11.3951 -8.6399 -8.6399 0.3812 0.3812 0.9187 0.9187 1.8081 1.8081 2.1867 2.1867 2.5639 2.5639 2.6441 2.6441 3.0329 3.0329 3.3574 3.3574 3.6340 3.6340 3.9218 3.9218 4.0990 4.0990 5.0217 5.0217 13.9508 13.9508 k =-0.1400 0.1264 0.5297 ( 4650 PWs) bands (ev): -43.0516 -43.0516 -15.4648 -15.4648 -15.1653 -15.1653 -15.0707 -15.0707 -12.0700 -12.0700 -11.5660 -11.5660 -11.3911 -11.3911 -8.6407 -8.6407 0.3350 0.3350 0.8544 0.8544 1.7554 1.7554 2.1696 2.1696 2.5873 2.5873 2.6544 2.6544 3.0713 3.0713 3.3884 3.3884 3.6690 3.6690 3.9208 3.9208 4.1296 4.1296 5.0364 5.0364 14.0056 14.0056 k =-0.1500 0.1354 0.5297 ( 4654 PWs) bands (ev): -43.0516 -43.0516 -15.4647 -15.4647 -15.1692 -15.1692 -15.0753 -15.0753 -12.0563 -12.0563 -11.5633 -11.5633 -11.3869 -11.3869 -8.6414 -8.6414 0.2876 0.2876 0.7906 0.7906 1.6947 1.6947 2.1500 2.1500 2.6121 2.6121 2.6730 2.6730 3.1098 3.1098 3.4174 3.4174 3.7076 3.7076 3.9198 3.9198 4.1607 4.1607 5.0520 5.0520 14.0646 14.0646 k =-0.1600 0.1444 0.5297 ( 4646 PWs) bands (ev): -43.0516 -43.0516 -15.4646 -15.4646 -15.1733 -15.1733 -15.0801 -15.0801 -12.0418 -12.0418 -11.5606 -11.5606 -11.3826 -11.3826 -8.6420 -8.6420 0.2394 0.2394 0.7274 0.7274 1.6273 1.6273 2.1283 2.1283 2.6383 2.6383 2.6990 2.6990 3.1483 3.1483 3.4440 3.4440 3.7493 3.7493 3.9188 3.9188 4.1924 4.1924 5.0686 5.0686 14.1278 14.1278 k =-0.1700 0.1535 0.5297 ( 4638 PWs) bands (ev): -43.0516 -43.0516 -15.4645 -15.4645 -15.1775 -15.1775 -15.0850 -15.0850 -12.0269 -12.0269 -11.5577 -11.5577 -11.3780 -11.3780 -8.6424 -8.6424 0.1904 0.1904 0.6650 0.6650 1.5545 1.5545 2.1048 2.1048 2.6657 2.6657 2.7312 2.7312 3.1865 3.1865 3.4684 3.4684 3.7934 3.7934 3.9178 3.9178 4.2249 4.2249 5.0861 5.0861 14.1951 14.1951 k =-0.1800 0.1625 0.5297 ( 4658 PWs) bands (ev): -43.0516 -43.0516 -15.4645 -15.4645 -15.1819 -15.1819 -15.0902 -15.0902 -12.0114 -12.0114 -11.5548 -11.5548 -11.3734 -11.3734 -8.6426 -8.6426 0.1410 0.1410 0.6036 0.6036 1.4774 1.4774 2.0796 2.0796 2.6941 2.6941 2.7686 2.7686 3.2242 3.2242 3.4907 3.4907 3.8391 3.8391 3.9168 3.9168 4.2583 4.2583 5.1043 5.1043 14.2666 14.2666 k =-0.1900 0.1715 0.5297 ( 4658 PWs) bands (ev): -43.0516 -43.0516 -15.4644 -15.4644 -15.1864 -15.1864 -15.0953 -15.0953 -11.9955 -11.9955 -11.5518 -11.5518 -11.3688 -11.3688 -8.6426 -8.6426 0.0913 0.0913 0.5432 0.5432 1.3971 1.3971 2.0531 2.0531 2.7237 2.7237 2.8105 2.8105 3.2612 3.2612 3.5112 3.5112 3.8852 3.8852 3.9161 3.9161 4.2930 4.2930 5.1233 5.1233 14.3423 14.3423 k =-0.2000 0.1805 0.5297 ( 4662 PWs) bands (ev): -43.0515 -43.0515 -15.4644 -15.4644 -15.1909 -15.1909 -15.1006 -15.1006 -11.9791 -11.9791 -11.5487 -11.5487 -11.3640 -11.3640 -8.6423 -8.6423 0.0415 0.0415 0.4841 0.4841 1.3144 1.3144 2.0255 2.0255 2.7543 2.7543 2.8561 2.8561 3.2975 3.2975 3.5301 3.5301 3.9129 3.9129 3.9339 3.9339 4.3292 4.3292 5.1431 5.1431 14.4220 14.4220 k =-0.2100 0.1896 0.5297 ( 4654 PWs) bands (ev): -43.0515 -43.0515 -15.4643 -15.4643 -15.1955 -15.1955 -15.1059 -15.1059 -11.9625 -11.9625 -11.5455 -11.5455 -11.3592 -11.3592 -8.6417 -8.6417 -0.0083 -0.0083 0.4263 0.4263 1.2301 1.2301 1.9971 1.9971 2.7857 2.7857 2.9048 2.9048 3.3328 3.3328 3.5477 3.5477 3.9125 3.9125 3.9790 3.9790 4.3671 4.3671 5.1634 5.1634 14.5053 14.5053 k =-0.2200 0.1986 0.5297 ( 4650 PWs) bands (ev): -43.0515 -43.0515 -15.4643 -15.4643 -15.2001 -15.2001 -15.1113 -15.1113 -11.9456 -11.9456 -11.5423 -11.5423 -11.3544 -11.3544 -8.6409 -8.6409 -0.0578 -0.0578 0.3700 0.3700 1.1449 1.1449 1.9679 1.9679 2.8179 2.8179 2.9560 2.9560 3.3670 3.3670 3.5641 3.5641 3.9115 3.9115 4.0237 4.0237 4.4068 4.4068 5.1844 5.1844 14.5808 14.5808 k =-0.2300 0.2076 0.5297 ( 4646 PWs) bands (ev): -43.0515 -43.0515 -15.4643 -15.4643 -15.2048 -15.2048 -15.1167 -15.1167 -11.9286 -11.9286 -11.5391 -11.5391 -11.3496 -11.3496 -8.6398 -8.6398 -0.1071 -0.1071 0.3151 0.3151 1.0593 1.0593 1.9383 1.9383 2.8507 2.8507 3.0090 3.0090 3.4002 3.4002 3.5796 3.5796 3.9103 3.9103 4.0668 4.0668 4.4486 4.4486 5.2059 5.2059 14.5191 14.5191 k =-0.2400 0.2166 0.5297 ( 4650 PWs) bands (ev): -43.0515 -43.0515 -15.4643 -15.4643 -15.2095 -15.2095 -15.1221 -15.1221 -11.9114 -11.9114 -11.5359 -11.5359 -11.3448 -11.3448 -8.6384 -8.6384 -0.1559 -0.1559 0.2619 0.2619 0.9737 0.9737 1.9083 1.9083 2.8840 2.8840 3.0636 3.0636 3.4321 3.4321 3.5942 3.5942 3.9091 3.9091 4.1080 4.1080 4.4923 4.4923 5.2278 5.2278 14.4426 14.4426 k =-0.2500 0.2257 0.5297 ( 4652 PWs) bands (ev): -43.0514 -43.0514 -15.4643 -15.4643 -15.2141 -15.2141 -15.1275 -15.1275 -11.8941 -11.8941 -11.5326 -11.5326 -11.3401 -11.3401 -8.6367 -8.6367 -0.2041 -0.2041 0.2102 0.2102 0.8887 0.8887 1.8782 1.8782 2.9178 2.9178 3.1190 3.1190 3.4628 3.4628 3.6081 3.6081 3.9080 3.9080 4.1474 4.1474 4.5378 4.5378 5.2500 5.2500 14.3659 14.3659 k =-0.2600 0.2347 0.5297 ( 4648 PWs) bands (ev): -43.0514 -43.0514 -15.4644 -15.4644 -15.2187 -15.2187 -15.1328 -15.1328 -11.8769 -11.8769 -11.5294 -11.5294 -11.3355 -11.3355 -8.6346 -8.6346 -0.2516 -0.2516 0.1603 0.1603 0.8045 0.8045 1.8482 1.8482 2.9517 2.9517 3.1751 3.1751 3.4922 3.4922 3.6213 3.6213 3.9068 3.9068 4.1849 4.1849 4.5848 4.5848 5.2725 5.2725 14.2896 14.2896 k =-0.2700 0.2437 0.5297 ( 4660 PWs) bands (ev): -43.0514 -43.0514 -15.4645 -15.4645 -15.2233 -15.2233 -15.1381 -15.1381 -11.8598 -11.8598 -11.5262 -11.5262 -11.3309 -11.3309 -8.6323 -8.6323 -0.2983 -0.2983 0.1122 0.1122 0.7215 0.7215 1.8183 1.8183 2.9858 2.9858 3.2312 3.2312 3.5203 3.5203 3.6338 3.6338 3.9057 3.9057 4.2207 4.2207 4.6332 4.6332 5.2952 5.2952 14.2142 14.2142 k =-0.2800 0.2527 0.5297 ( 4656 PWs) bands (ev): -43.0514 -43.0514 -15.4646 -15.4646 -15.2278 -15.2278 -15.1433 -15.1433 -11.8428 -11.8428 -11.5230 -11.5230 -11.3264 -11.3264 -8.6297 -8.6297 -0.3440 -0.3440 0.0658 0.0658 0.6401 0.6401 1.7888 1.7888 3.0200 3.0200 3.2869 3.2869 3.5470 3.5470 3.6457 3.6457 3.9046 3.9046 4.2550 4.2550 4.6824 4.6824 5.3180 5.3180 14.1397 14.1397 k =-0.2900 0.2618 0.5297 ( 4656 PWs) bands (ev): -43.0514 -43.0514 -15.4648 -15.4648 -15.2321 -15.2321 -15.1484 -15.1484 -11.8260 -11.8260 -11.5199 -11.5199 -11.3221 -11.3221 -8.6268 -8.6268 -0.3887 -0.3887 0.0213 0.0213 0.5606 0.5606 1.7597 1.7597 3.0540 3.0540 3.3419 3.3419 3.5725 3.5725 3.6570 3.6570 3.9036 3.9036 4.2882 4.2882 4.7322 4.7322 5.3408 5.3408 14.0666 14.0666 k =-0.3000 0.2708 0.5297 ( 4644 PWs) bands (ev): -43.0513 -43.0513 -15.4649 -15.4649 -15.2363 -15.2363 -15.1533 -15.1533 -11.8095 -11.8095 -11.5168 -11.5168 -11.3179 -11.3179 -8.6237 -8.6237 -0.4323 -0.4323 -0.0213 -0.0213 0.4832 0.4832 1.7312 1.7312 3.0878 3.0878 3.3958 3.3958 3.5967 3.5967 3.6678 3.6678 3.9026 3.9026 4.3203 4.3203 4.7821 4.7821 5.3636 5.3636 13.9950 13.9950 k =-0.3100 0.2798 0.5297 ( 4640 PWs) bands (ev): -43.0513 -43.0513 -15.4651 -15.4651 -15.2404 -15.2404 -15.1581 -15.1581 -11.7933 -11.7933 -11.5138 -11.5138 -11.3139 -11.3139 -8.6203 -8.6203 -0.4746 -0.4746 -0.0621 -0.0621 0.4082 0.4082 1.7035 1.7035 3.1211 3.1211 3.4480 3.4480 3.6195 3.6195 3.6781 3.6781 3.9017 3.9017 4.3517 4.3517 4.8318 4.8318 5.3861 5.3861 13.9252 13.9252 k =-0.3200 0.2889 0.5297 ( 4636 PWs) bands (ev): -43.0513 -43.0513 -15.4653 -15.4653 -15.2444 -15.2444 -15.1628 -15.1628 -11.7776 -11.7776 -11.5109 -11.5109 -11.3100 -11.3100 -8.6168 -8.6168 -0.5155 -0.5155 -0.1009 -0.1009 0.3358 0.3358 1.6765 1.6765 3.1539 3.1539 3.4983 3.4983 3.6411 3.6411 3.6879 3.6879 3.9008 3.9008 4.3825 4.3825 4.8810 4.8810 5.4084 5.4084 13.8573 13.8573 k =-0.3300 0.2979 0.5297 ( 4636 PWs) bands (ev): -43.0513 -43.0513 -15.4655 -15.4655 -15.2483 -15.2483 -15.1674 -15.1674 -11.7623 -11.7623 -11.5080 -11.5080 -11.3063 -11.3063 -8.6131 -8.6131 -0.5550 -0.5550 -0.1379 -0.1379 0.2664 0.2664 1.6504 1.6504 3.1859 3.1859 3.5461 3.5461 3.6616 3.6616 3.6973 3.6973 3.9000 3.9000 4.4128 4.4128 4.9293 4.9293 5.4304 5.4304 13.7917 13.7917 k =-0.3400 0.3069 0.5297 ( 4644 PWs) bands (ev): -43.0513 -43.0513 -15.4657 -15.4657 -15.2520 -15.2520 -15.1717 -15.1717 -11.7475 -11.7475 -11.5053 -11.5053 -11.3028 -11.3028 -8.6092 -8.6092 -0.5930 -0.5930 -0.1729 -0.1729 0.2000 0.2000 1.6253 1.6253 3.2171 3.2171 3.5911 3.5911 3.6809 3.6809 3.7063 3.7063 3.8993 3.8993 4.4428 4.4428 4.9766 4.9766 5.4519 5.4519 13.7284 13.7284 k =-0.3500 0.3159 0.5297 ( 4650 PWs) bands (ev): -43.0512 -43.0512 -15.4660 -15.4660 -15.2555 -15.2555 -15.1759 -15.1759 -11.7333 -11.7333 -11.5027 -11.5027 -11.2995 -11.2995 -8.6053 -8.6053 -0.6293 -0.6293 -0.2061 -0.2061 0.1370 0.1370 1.6013 1.6013 3.2472 3.2472 3.6326 3.6326 3.6995 3.6995 3.7151 3.7151 3.8987 3.8987 4.4723 4.4723 5.0225 5.0225 5.4728 5.4728 13.6678 13.6678 k =-0.3600 0.3250 0.5297 ( 4650 PWs) bands (ev): -43.0512 -43.0512 -15.4662 -15.4662 -15.2588 -15.2588 -15.1799 -15.1799 -11.7198 -11.7198 -11.5002 -11.5002 -11.2964 -11.2964 -8.6013 -8.6013 -0.6639 -0.6639 -0.2372 -0.2372 0.0774 0.0774 1.5785 1.5785 3.2761 3.2761 3.6695 3.6695 3.7172 3.7172 3.7247 3.7247 3.8982 3.8982 4.5014 4.5014 5.0668 5.0668 5.4932 5.4932 13.6100 13.6100 k =-0.3700 0.3340 0.5297 ( 4654 PWs) bands (ev): -43.0512 -43.0512 -15.4665 -15.4665 -15.2619 -15.2619 -15.1836 -15.1836 -11.7069 -11.7069 -11.4978 -11.4978 -11.2935 -11.2935 -8.5974 -8.5974 -0.6966 -0.6966 -0.2665 -0.2665 0.0216 0.0216 1.5569 1.5569 3.3038 3.3038 3.6992 3.6992 3.7304 3.7304 3.7412 3.7412 3.8978 3.8978 4.5300 4.5300 5.1093 5.1093 5.5128 5.5128 13.5553 13.5553 k =-0.3800 0.3430 0.5297 ( 4652 PWs) bands (ev): -43.0512 -43.0512 -15.4668 -15.4668 -15.2648 -15.2648 -15.1871 -15.1871 -11.6948 -11.6948 -11.4956 -11.4956 -11.2908 -11.2908 -8.5934 -8.5934 -0.7274 -0.7274 -0.2939 -0.2939 -0.0304 -0.0304 1.5367 1.5367 3.3300 3.3300 3.7194 3.7194 3.7408 3.7408 3.7652 3.7652 3.8975 3.8975 4.5578 4.5578 5.1498 5.1498 5.5315 5.5315 13.5037 13.5037 k =-0.3900 0.3520 0.5297 ( 4652 PWs) bands (ev): -43.0512 -43.0512 -15.4670 -15.4670 -15.2675 -15.2675 -15.1904 -15.1904 -11.6834 -11.6834 -11.4935 -11.4935 -11.2883 -11.2883 -8.5896 -8.5896 -0.7562 -0.7562 -0.3193 -0.3193 -0.0785 -0.0785 1.5178 1.5178 3.3546 3.3546 3.7316 3.7316 3.7520 3.7520 3.7917 3.7917 3.8973 3.8973 4.5846 4.5846 5.1880 5.1880 5.5493 5.5493 13.4555 13.4556 k =-0.4000 0.3611 0.5297 ( 4644 PWs) bands (ev): -43.0512 -43.0512 -15.4672 -15.4672 -15.2699 -15.2699 -15.1934 -15.1934 -11.6729 -11.6729 -11.4916 -11.4916 -11.2860 -11.2860 -8.5859 -8.5859 -0.7829 -0.7829 -0.3428 -0.3428 -0.1224 -0.1224 1.5004 1.5004 3.3775 3.3775 3.7397 3.7397 3.7631 3.7631 3.8174 3.8174 3.8973 3.8973 4.6103 4.6103 5.2237 5.2237 5.5661 5.5661 13.4110 13.4110 k =-0.4100 0.3701 0.5297 ( 4646 PWs) bands (ev): -43.0512 -43.0512 -15.4675 -15.4675 -15.2722 -15.2722 -15.1961 -15.1961 -11.6633 -11.6633 -11.4898 -11.4898 -11.2840 -11.2840 -8.5824 -8.5824 -0.8074 -0.8074 -0.3644 -0.3644 -0.1620 -0.1620 1.4845 1.4845 3.3986 3.3986 3.7459 3.7459 3.7734 3.7734 3.8410 3.8410 3.8974 3.8974 4.6346 4.6346 5.2568 5.2568 5.5817 5.5817 13.3701 13.3701 k =-0.4200 0.3791 0.5297 ( 4634 PWs) bands (ev): -43.0511 -43.0511 -15.4677 -15.4677 -15.2741 -15.2741 -15.1986 -15.1986 -11.6546 -11.6546 -11.4883 -11.4883 -11.2821 -11.2821 -8.5791 -8.5791 -0.8296 -0.8296 -0.3841 -0.3841 -0.1974 -0.1974 1.4701 1.4701 3.4178 3.4178 3.7510 3.7510 3.7827 3.7827 3.8619 3.8619 3.8979 3.8979 4.6571 4.6571 5.2870 5.2870 5.5960 5.5960 13.3331 13.3331 k =-0.4300 0.3881 0.5297 ( 4626 PWs) bands (ev): -43.0511 -43.0511 -15.4679 -15.4679 -15.2759 -15.2759 -15.2008 -15.2008 -11.6468 -11.6468 -11.4868 -11.4868 -11.2805 -11.2805 -8.5761 -8.5761 -0.8494 -0.8494 -0.4018 -0.4018 -0.2285 -0.2285 1.4573 1.4573 3.4349 3.4349 3.7554 3.7554 3.7908 3.7908 3.8793 3.8793 3.8993 3.8993 4.6776 4.6776 5.3143 5.3143 5.6090 5.6090 13.3001 13.3001 k =-0.4400 0.3972 0.5297 ( 4630 PWs) bands (ev): -43.0511 -43.0511 -15.4681 -15.4681 -15.2775 -15.2775 -15.2027 -15.2027 -11.6400 -11.6400 -11.4856 -11.4856 -11.2791 -11.2791 -8.5734 -8.5734 -0.8668 -0.8668 -0.4174 -0.4174 -0.2552 -0.2552 1.4462 1.4462 3.4499 3.4499 3.7590 3.7590 3.7978 3.7978 3.8906 3.8906 3.9042 3.9042 4.6960 4.6960 5.3382 5.3382 5.6204 5.6204 13.2712 13.2712 k =-0.4500 0.4062 0.5297 ( 4622 PWs) bands (ev): -43.0511 -43.0511 -15.4682 -15.4682 -15.2787 -15.2787 -15.2043 -15.2043 -11.6342 -11.6342 -11.4845 -11.4845 -11.2779 -11.2779 -8.5711 -8.5711 -0.8816 -0.8816 -0.4309 -0.4309 -0.2776 -0.2776 1.4367 1.4367 3.4627 3.4627 3.7621 3.7621 3.8037 3.8037 3.8942 3.8942 3.9142 3.9142 4.7119 4.7119 5.3589 5.3589 5.6303 5.6303 13.2466 13.2466 k =-0.4600 0.4152 0.5297 ( 4622 PWs) bands (ev): -43.0511 -43.0511 -15.4684 -15.4684 -15.2798 -15.2798 -15.2057 -15.2057 -11.6294 -11.6294 -11.4837 -11.4837 -11.2770 -11.2770 -8.5691 -8.5691 -0.8939 -0.8939 -0.4422 -0.4422 -0.2957 -0.2957 1.4289 1.4289 3.4732 3.4732 3.7646 3.7646 3.8085 3.8085 3.8953 3.8953 3.9242 3.9242 4.7252 4.7252 5.3760 5.3760 5.6385 5.6385 13.2263 13.2263 k =-0.4700 0.4243 0.5297 ( 4632 PWs) bands (ev): -43.0511 -43.0511 -15.4685 -15.4685 -15.2807 -15.2807 -15.2068 -15.2068 -11.6256 -11.6256 -11.4830 -11.4830 -11.2762 -11.2762 -8.5676 -8.5676 -0.9034 -0.9034 -0.4511 -0.4511 -0.3097 -0.3097 1.4227 1.4227 3.4814 3.4814 3.7665 3.7665 3.8122 3.8122 3.8958 3.8958 3.9322 3.9322 4.7357 4.7357 5.3894 5.3894 5.6450 5.6450 13.2105 13.2105 k =-0.4800 0.4333 0.5297 ( 4628 PWs) bands (ev): -43.0511 -43.0511 -15.4686 -15.4686 -15.2813 -15.2813 -15.2075 -15.2075 -11.6230 -11.6230 -11.4825 -11.4825 -11.2757 -11.2757 -8.5665 -8.5665 -0.9103 -0.9103 -0.4576 -0.4576 -0.3197 -0.3197 1.4184 1.4184 3.4874 3.4874 3.7678 3.7678 3.8148 3.8148 3.8961 3.8961 3.9380 3.9380 4.7433 4.7433 5.3991 5.3991 5.6497 5.6497 13.1991 13.1991 k =-0.4900 0.4423 0.5297 ( 4636 PWs) bands (ev): -43.0511 -43.0511 -15.4686 -15.4686 -15.2817 -15.2817 -15.2080 -15.2080 -11.6214 -11.6214 -11.4822 -11.4822 -11.2753 -11.2753 -8.5658 -8.5658 -0.9145 -0.9145 -0.4615 -0.4615 -0.3256 -0.3256 1.4157 1.4157 3.4910 3.4910 3.7686 3.7686 3.8164 3.8164 3.8962 3.8962 3.9415 3.9415 4.7478 4.7478 5.4049 5.4049 5.6525 5.6525 13.1923 13.1923 k =-0.5000 0.4513 0.5297 ( 4640 PWs) bands (ev): -43.0511 -43.0511 -15.4687 -15.4687 -15.2818 -15.2818 -15.2082 -15.2082 -11.6208 -11.6208 -11.4821 -11.4821 -11.2752 -11.2752 -8.5656 -8.5656 -0.9159 -0.9159 -0.4628 -0.4628 -0.3275 -0.3275 1.4149 1.4149 3.4921 3.4921 3.7689 3.7689 3.8169 3.8169 3.8963 3.8963 3.9426 3.9426 4.7494 4.7494 5.4068 5.4068 5.6535 5.6535 13.1900 13.1900 Writing output data file NaIO3.save init_run : 0.22s CPU 0.35s WALL ( 1 calls) electrons : 202.21s CPU 205.31s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 202.20s CPU 205.31s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.07s WALL ( 448 calls) cegterg : 188.18s CPU 190.53s WALL ( 1038 calls) Called by sum_band: Called by *egterg: h_psi : 108.23s CPU 109.69s WALL ( 16548 calls) s_psi : 2.98s CPU 3.23s WALL ( 16548 calls) g_psi : 0.28s CPU 0.30s WALL ( 15062 calls) cdiaghg : 68.48s CPU 69.45s WALL ( 15510 calls) cegterg:over : 5.92s CPU 5.94s WALL ( 15062 calls) cegterg:upda : 5.44s CPU 5.45s WALL ( 15062 calls) cegterg:last : 2.86s CPU 2.77s WALL ( 1934 calls) cdiaghg:chol : 3.68s CPU 3.68s WALL ( 15510 calls) cdiaghg:inve : 1.95s CPU 1.95s WALL ( 15510 calls) cdiaghg:para : 3.91s CPU 3.98s WALL ( 31020 calls) Called by h_psi: h_psi:vloc : 99.54s CPU 101.04s WALL ( 16548 calls) h_psi:vnl : 8.43s CPU 8.36s WALL ( 16548 calls) add_vuspsi : 3.72s CPU 3.79s WALL ( 16548 calls) General routines calbec : 4.67s CPU 4.52s WALL ( 16548 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 94.12s CPU 95.73s WALL ( 928556 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.18s CPU 0.37s WALL ( 896 calls) Parallel routines fft_scatter : 31.37s CPU 31.65s WALL ( 928579 calls) PWSCF : 3m40.85s CPU 4m 2.77s WALL This run was terminated on: 11:24:14 30Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=