Program PWSCF v.5.1.1 starts on 5Jun2015 at 7:42:33 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BN.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 29 16 4 939 365 59 Max 30 17 5 945 382 65 Sum 1435 775 229 45283 18047 3021 bravais-lattice index = 14 lattice parameter (alat) = 9.2597 a.u. unit-cell volume = 457.5464 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 325.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.259657 celldm(2)= 0.646939 celldm(3)= 0.908670 celldm(4)= 0.197267 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 0.646939 0.000000 ) a(3) = ( 0.000000 0.179251 0.890814 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.545741 -0.311036 ) b(3) = ( 0.000000 0.000000 1.122568 ) PseudoPot. # 1 for B read from file: /home/autes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential B 3.00 10.81100 B( 1.00) N 5.00 14.00670 N( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) 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 [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2338440 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.4454072 ) 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 [1,0,0] cryst. s( 4) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2338440 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.4454072 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 s_h -s_h i -i G_3+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_4+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_3- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 imaginary part E -E C2 -C2 s_h -s_h i -i G_3+ 0.00 0.00 1.00 -1.00 1.00 -1.00 0.00 0.00 G_4+ 0.00 0.00 -1.00 1.00 -1.00 1.00 0.00 0.00 G_3- 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 the symmetry operations in each class: E 1 C2 2 i 3 s_h 4 -E -1 -C2 -2 -i -3 -s_h -4 Cartesian axes number of k points= 350 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 2) = ( 0.0000000 0.0000000 0.0155912), wk = 0.0028571 k( 3) = ( 0.0000000 0.0000000 0.0311825), wk = 0.0028571 k( 4) = ( 0.0000000 0.0000000 0.0467737), wk = 0.0028571 k( 5) = ( 0.0000000 0.0000000 0.0623649), wk = 0.0028571 k( 6) = ( 0.0000000 0.0000000 0.0779561), wk = 0.0028571 k( 7) = ( 0.0000000 0.0000000 0.0935474), wk = 0.0028571 k( 8) = ( 0.0000000 0.0000000 0.1091386), wk = 0.0028571 k( 9) = ( 0.0000000 0.0000000 0.1247298), wk = 0.0028571 k( 10) = ( 0.0000000 0.0000000 0.1403210), wk = 0.0028571 k( 11) = ( 0.0000000 0.0000000 0.1559123), wk = 0.0028571 k( 12) = ( 0.0000000 0.0000000 0.1715035), wk = 0.0028571 k( 13) = ( 0.0000000 0.0000000 0.1870947), wk = 0.0028571 k( 14) = ( 0.0000000 0.0000000 0.2026859), wk = 0.0028571 k( 15) = ( 0.0000000 0.0000000 0.2182772), wk = 0.0028571 k( 16) = ( 0.0000000 0.0000000 0.2338684), wk = 0.0028571 k( 17) = ( 0.0000000 0.0000000 0.2494596), wk = 0.0028571 k( 18) = ( 0.0000000 0.0000000 0.2650508), wk = 0.0028571 k( 19) = ( 0.0000000 0.0000000 0.2806421), wk = 0.0028571 k( 20) = ( 0.0000000 0.0000000 0.2962333), wk = 0.0028571 k( 21) = ( 0.0000000 0.0000000 0.3118245), wk = 0.0028571 k( 22) = ( 0.0000000 0.0000000 0.3274158), wk = 0.0028571 k( 23) = ( 0.0000000 0.0000000 0.3430070), wk = 0.0028571 k( 24) = ( 0.0000000 0.0000000 0.3585982), wk = 0.0028571 k( 25) = ( 0.0000000 0.0000000 0.3741894), wk = 0.0028571 k( 26) = ( 0.0000000 0.0000000 0.3897807), wk = 0.0028571 k( 27) = ( 0.0000000 0.0000000 0.4053719), wk = 0.0028571 k( 28) = ( 0.0000000 0.0000000 0.4209631), wk = 0.0028571 k( 29) = ( 0.0000000 0.0000000 0.4365543), wk = 0.0028571 k( 30) = ( 0.0000000 0.0000000 0.4521456), wk = 0.0028571 k( 31) = ( 0.0000000 0.0000000 0.4677368), wk = 0.0028571 k( 32) = ( 0.0000000 0.0000000 0.4833280), wk = 0.0028571 k( 33) = ( 0.0000000 0.0000000 0.4989192), wk = 0.0028571 k( 34) = ( 0.0000000 0.0000000 0.5145105), wk = 0.0028571 k( 35) = ( 0.0000000 0.0000000 0.5301017), wk = 0.0028571 k( 36) = ( 0.0000000 0.0000000 0.5456929), wk = 0.0028571 k( 37) = ( 0.0000000 0.0000000 0.5612841), wk = 0.0028571 k( 38) = ( 0.0000000 0.0000000 0.5612841), wk = 0.0028571 k( 39) = ( 0.0000000 0.0153605 0.5612841), wk = 0.0028571 k( 40) = ( 0.0000000 0.0307210 0.5612841), wk = 0.0028571 k( 41) = ( 0.0000000 0.0460815 0.5612841), wk = 0.0028571 k( 42) = ( 0.0000000 0.0614420 0.5612841), wk = 0.0028571 k( 43) = ( 0.0000000 0.0768024 0.5612841), wk = 0.0028571 k( 44) = ( 0.0000000 0.0921629 0.5612841), wk = 0.0028571 k( 45) = ( 0.0000000 0.1075234 0.5612841), wk = 0.0028571 k( 46) = ( 0.0000000 0.1228839 0.5612841), wk = 0.0028571 k( 47) = ( 0.0000000 0.1382444 0.5612841), wk = 0.0028571 k( 48) = ( 0.0000000 0.1536049 0.5612841), wk = 0.0028571 k( 49) = ( 0.0000000 0.1689654 0.5612841), wk = 0.0028571 k( 50) = ( 0.0000000 0.1843258 0.5612841), wk = 0.0028571 k( 51) = ( 0.0000000 0.1996863 0.5612841), wk = 0.0028571 k( 52) = ( 0.0000000 0.2150468 0.5612841), wk = 0.0028571 k( 53) = ( 0.0000000 0.2304073 0.5612841), wk = 0.0028571 k( 54) = ( 0.0000000 0.2457678 0.5612841), wk = 0.0028571 k( 55) = ( 0.0000000 0.2611283 0.5612841), wk = 0.0028571 k( 56) = ( 0.0000000 0.2764888 0.5612841), wk = 0.0028571 k( 57) = ( 0.0000000 0.2918492 0.5612841), wk = 0.0028571 k( 58) = ( 0.0000000 0.3072097 0.5612841), wk = 0.0028571 k( 59) = ( 0.0000000 0.3225702 0.5612841), wk = 0.0028571 k( 60) = ( 0.0000000 0.3379307 0.5612841), wk = 0.0028571 k( 61) = ( 0.0000000 0.3532912 0.5612841), wk = 0.0028571 k( 62) = ( 0.0000000 0.3686517 0.5612841), wk = 0.0028571 k( 63) = ( 0.0000000 0.3840122 0.5612841), wk = 0.0028571 k( 64) = ( 0.0000000 0.3993727 0.5612841), wk = 0.0028571 k( 65) = ( 0.0000000 0.4147331 0.5612841), wk = 0.0028571 k( 66) = ( 0.0000000 0.4300936 0.5612841), wk = 0.0028571 k( 67) = ( 0.0000000 0.4454541 0.5612841), wk = 0.0028571 k( 68) = ( 0.0000000 0.4608146 0.5612841), wk = 0.0028571 k( 69) = ( 0.0000000 0.4761751 0.5612841), wk = 0.0028571 k( 70) = ( 0.0000000 0.4915356 0.5612841), wk = 0.0028571 k( 71) = ( 0.0000000 0.5068961 0.5612841), wk = 0.0028571 k( 72) = ( 0.0000000 0.5222565 0.5612841), wk = 0.0028571 k( 73) = ( 0.0000000 0.5376170 0.5612841), wk = 0.0028571 k( 74) = ( 0.0000000 0.5529775 0.5612841), wk = 0.0028571 k( 75) = ( 0.0000000 0.5683380 0.5612841), wk = 0.0028571 k( 76) = ( 0.0000000 0.5836985 0.5612841), wk = 0.0028571 k( 77) = ( 0.0000000 0.5990590 0.5612841), wk = 0.0028571 k( 78) = ( 0.0000000 0.6144195 0.5612841), wk = 0.0028571 k( 79) = ( 0.0000000 0.6297800 0.5612841), wk = 0.0028571 k( 80) = ( 0.0000000 0.6451404 0.5612841), wk = 0.0028571 k( 81) = ( 0.0000000 0.6605009 0.5612841), wk = 0.0028571 k( 82) = ( 0.0000000 0.6758614 0.5612841), wk = 0.0028571 k( 83) = ( 0.0000000 0.6912219 0.5612841), wk = 0.0028571 k( 84) = ( 0.0000000 0.6912219 0.5612841), wk = 0.0028571 k( 85) = ( 0.0000000 0.6980260 0.5483243), wk = 0.0028571 k( 86) = ( 0.0000000 0.7048300 0.5353645), wk = 0.0028571 k( 87) = ( 0.0000000 0.7116341 0.5224047), wk = 0.0028571 k( 88) = ( 0.0000000 0.7184382 0.5094448), wk = 0.0028571 k( 89) = ( 0.0000000 0.7252422 0.4964850), wk = 0.0028571 k( 90) = ( 0.0000000 0.7320463 0.4835252), wk = 0.0028571 k( 91) = ( 0.0000000 0.7388503 0.4705653), wk = 0.0028571 k( 92) = ( 0.0000000 0.7456544 0.4576055), wk = 0.0028571 k( 93) = ( 0.0000000 0.7524585 0.4446457), wk = 0.0028571 k( 94) = ( 0.0000000 0.7592625 0.4316858), wk = 0.0028571 k( 95) = ( 0.0000000 0.7660666 0.4187260), wk = 0.0028571 k( 96) = ( 0.0000000 0.7728707 0.4057662), wk = 0.0028571 k( 97) = ( 0.0000000 0.7728707 0.4057662), wk = 0.0028571 k( 98) = ( 0.0151515 0.7728707 0.4057662), wk = 0.0028571 k( 99) = ( 0.0303030 0.7728707 0.4057662), wk = 0.0028571 k( 100) = ( 0.0454546 0.7728707 0.4057662), wk = 0.0028571 k( 101) = ( 0.0606061 0.7728707 0.4057662), wk = 0.0028571 k( 102) = ( 0.0757576 0.7728707 0.4057662), wk = 0.0028571 k( 103) = ( 0.0909091 0.7728707 0.4057662), wk = 0.0028571 k( 104) = ( 0.1060606 0.7728707 0.4057662), wk = 0.0028571 k( 105) = ( 0.1212121 0.7728707 0.4057662), wk = 0.0028571 k( 106) = ( 0.1363636 0.7728707 0.4057662), wk = 0.0028571 k( 107) = ( 0.1515151 0.7728707 0.4057662), wk = 0.0028571 k( 108) = ( 0.1666667 0.7728707 0.4057662), wk = 0.0028571 k( 109) = ( 0.1818182 0.7728707 0.4057662), wk = 0.0028571 k( 110) = ( 0.1969697 0.7728707 0.4057662), wk = 0.0028571 k( 111) = ( 0.2121212 0.7728707 0.4057662), wk = 0.0028571 k( 112) = ( 0.2272727 0.7728707 0.4057662), wk = 0.0028571 k( 113) = ( 0.2424242 0.7728707 0.4057662), wk = 0.0028571 k( 114) = ( 0.2575758 0.7728707 0.4057662), wk = 0.0028571 k( 115) = ( 0.2727273 0.7728707 0.4057662), wk = 0.0028571 k( 116) = ( 0.2878788 0.7728707 0.4057662), wk = 0.0028571 k( 117) = ( 0.3030303 0.7728707 0.4057662), wk = 0.0028571 k( 118) = ( 0.3181818 0.7728707 0.4057662), wk = 0.0028571 k( 119) = ( 0.3333333 0.7728707 0.4057662), wk = 0.0028571 k( 120) = ( 0.3484849 0.7728707 0.4057662), wk = 0.0028571 k( 121) = ( 0.3636364 0.7728707 0.4057662), wk = 0.0028571 k( 122) = ( 0.3787879 0.7728707 0.4057662), wk = 0.0028571 k( 123) = ( 0.3939394 0.7728707 0.4057662), wk = 0.0028571 k( 124) = ( 0.4090909 0.7728707 0.4057662), wk = 0.0028571 k( 125) = ( 0.4242424 0.7728707 0.4057662), wk = 0.0028571 k( 126) = ( 0.4393939 0.7728707 0.4057662), wk = 0.0028571 k( 127) = ( 0.4545455 0.7728707 0.4057662), wk = 0.0028571 k( 128) = ( 0.4696970 0.7728707 0.4057662), wk = 0.0028571 k( 129) = ( 0.4848485 0.7728707 0.4057662), wk = 0.0028571 k( 130) = ( 0.5000000 0.7728707 0.4057662), wk = 0.0028571 k( 131) = ( 0.5000000 0.7728707 0.4057662), wk = 0.0028571 k( 132) = ( 0.5000000 0.7796747 0.3928063), wk = 0.0028571 k( 133) = ( 0.5000000 0.7864788 0.3798465), wk = 0.0028571 k( 134) = ( 0.5000000 0.7932829 0.3668867), wk = 0.0028571 k( 135) = ( 0.5000000 0.8000869 0.3539268), wk = 0.0028571 k( 136) = ( 0.5000000 0.8068910 0.3409670), wk = 0.0028571 k( 137) = ( 0.5000000 0.8136951 0.3280072), wk = 0.0028571 k( 138) = ( 0.5000000 0.8204991 0.3150473), wk = 0.0028571 k( 139) = ( 0.5000000 0.8273032 0.3020875), wk = 0.0028571 k( 140) = ( 0.5000000 0.8341072 0.2891277), wk = 0.0028571 k( 141) = ( 0.5000000 0.8409113 0.2761679), wk = 0.0028571 k( 142) = ( 0.5000000 0.8477154 0.2632080), wk = 0.0028571 k( 143) = ( 0.5000000 0.8545194 0.2502482), wk = 0.0028571 k( 144) = ( 0.5000000 0.8545194 0.2502482), wk = 0.0028571 k( 145) = ( 0.5000000 0.8514954 0.2352198), wk = 0.0028571 k( 146) = ( 0.5000000 0.8484714 0.2201914), wk = 0.0028571 k( 147) = ( 0.5000000 0.8454473 0.2051631), wk = 0.0028571 k( 148) = ( 0.5000000 0.8424233 0.1901347), wk = 0.0028571 k( 149) = ( 0.5000000 0.8393993 0.1751063), wk = 0.0028571 k( 150) = ( 0.5000000 0.8363752 0.1600779), wk = 0.0028571 k( 151) = ( 0.5000000 0.8333512 0.1450496), wk = 0.0028571 k( 152) = ( 0.5000000 0.8303272 0.1300212), wk = 0.0028571 k( 153) = ( 0.5000000 0.8273032 0.1149928), wk = 0.0028571 k( 154) = ( 0.5000000 0.8242791 0.0999644), wk = 0.0028571 k( 155) = ( 0.5000000 0.8212551 0.0849361), wk = 0.0028571 k( 156) = ( 0.5000000 0.8182311 0.0699077), wk = 0.0028571 k( 157) = ( 0.5000000 0.8152071 0.0548793), wk = 0.0028571 k( 158) = ( 0.5000000 0.8121830 0.0398509), wk = 0.0028571 k( 159) = ( 0.5000000 0.8091590 0.0248225), wk = 0.0028571 k( 160) = ( 0.5000000 0.8061350 0.0097942), wk = 0.0028571 k( 161) = ( 0.5000000 0.8031109 -0.0052342), wk = 0.0028571 k( 162) = ( 0.5000000 0.8000869 -0.0202626), wk = 0.0028571 k( 163) = ( 0.5000000 0.7970629 -0.0352910), wk = 0.0028571 k( 164) = ( 0.5000000 0.7940389 -0.0503193), wk = 0.0028571 k( 165) = ( 0.5000000 0.7910148 -0.0653477), wk = 0.0028571 k( 166) = ( 0.5000000 0.7879908 -0.0803761), wk = 0.0028571 k( 167) = ( 0.5000000 0.7849668 -0.0954045), wk = 0.0028571 k( 168) = ( 0.5000000 0.7819427 -0.1104328), wk = 0.0028571 k( 169) = ( 0.5000000 0.7789187 -0.1254612), wk = 0.0028571 k( 170) = ( 0.5000000 0.7758947 -0.1404896), wk = 0.0028571 k( 171) = ( 0.5000000 0.7728707 -0.1555180), wk = 0.0028571 k( 172) = ( 0.5000000 0.7728707 -0.1555180), wk = 0.0028571 k( 173) = ( 0.4848485 0.7728707 -0.1555180), wk = 0.0028571 k( 174) = ( 0.4696970 0.7728707 -0.1555180), wk = 0.0028571 k( 175) = ( 0.4545455 0.7728707 -0.1555180), wk = 0.0028571 k( 176) = ( 0.4393939 0.7728707 -0.1555180), wk = 0.0028571 k( 177) = ( 0.4242424 0.7728707 -0.1555180), wk = 0.0028571 k( 178) = ( 0.4090909 0.7728707 -0.1555180), wk = 0.0028571 k( 179) = ( 0.3939394 0.7728707 -0.1555180), wk = 0.0028571 k( 180) = ( 0.3787879 0.7728707 -0.1555180), wk = 0.0028571 k( 181) = ( 0.3636364 0.7728707 -0.1555180), wk = 0.0028571 k( 182) = ( 0.3484849 0.7728707 -0.1555180), wk = 0.0028571 k( 183) = ( 0.3333333 0.7728707 -0.1555180), wk = 0.0028571 k( 184) = ( 0.3181818 0.7728707 -0.1555180), wk = 0.0028571 k( 185) = ( 0.3030303 0.7728707 -0.1555180), wk = 0.0028571 k( 186) = ( 0.2878788 0.7728707 -0.1555180), wk = 0.0028571 k( 187) = ( 0.2727273 0.7728707 -0.1555180), wk = 0.0028571 k( 188) = ( 0.2575758 0.7728707 -0.1555180), wk = 0.0028571 k( 189) = ( 0.2424242 0.7728707 -0.1555180), wk = 0.0028571 k( 190) = ( 0.2272727 0.7728707 -0.1555180), wk = 0.0028571 k( 191) = ( 0.2121212 0.7728707 -0.1555180), wk = 0.0028571 k( 192) = ( 0.1969697 0.7728707 -0.1555180), wk = 0.0028571 k( 193) = ( 0.1818182 0.7728707 -0.1555180), wk = 0.0028571 k( 194) = ( 0.1666667 0.7728707 -0.1555180), wk = 0.0028571 k( 195) = ( 0.1515151 0.7728707 -0.1555180), wk = 0.0028571 k( 196) = ( 0.1363636 0.7728707 -0.1555180), wk = 0.0028571 k( 197) = ( 0.1212121 0.7728707 -0.1555180), wk = 0.0028571 k( 198) = ( 0.1060606 0.7728707 -0.1555180), wk = 0.0028571 k( 199) = ( 0.0909091 0.7728707 -0.1555180), wk = 0.0028571 k( 200) = ( 0.0757576 0.7728707 -0.1555180), wk = 0.0028571 k( 201) = ( 0.0606061 0.7728707 -0.1555180), wk = 0.0028571 k( 202) = ( 0.0454546 0.7728707 -0.1555180), wk = 0.0028571 k( 203) = ( 0.0303030 0.7728707 -0.1555180), wk = 0.0028571 k( 204) = ( 0.0151515 0.7728707 -0.1555180), wk = 0.0028571 k( 205) = ( 0.0000000 0.7728707 -0.1555180), wk = 0.0028571 k( 206) = ( 0.0000000 0.7728707 -0.1555180), wk = 0.0028571 k( 207) = ( 0.0000000 0.7758947 -0.1404896), wk = 0.0028571 k( 208) = ( 0.0000000 0.7789187 -0.1254612), wk = 0.0028571 k( 209) = ( 0.0000000 0.7819427 -0.1104328), wk = 0.0028571 k( 210) = ( 0.0000000 0.7849668 -0.0954045), wk = 0.0028571 k( 211) = ( 0.0000000 0.7879908 -0.0803761), wk = 0.0028571 k( 212) = ( 0.0000000 0.7910148 -0.0653477), wk = 0.0028571 k( 213) = ( 0.0000000 0.7940389 -0.0503193), wk = 0.0028571 k( 214) = ( 0.0000000 0.7970629 -0.0352910), wk = 0.0028571 k( 215) = ( 0.0000000 0.8000869 -0.0202626), wk = 0.0028571 k( 216) = ( 0.0000000 0.8031109 -0.0052342), wk = 0.0028571 k( 217) = ( 0.0000000 0.8061350 0.0097942), wk = 0.0028571 k( 218) = ( 0.0000000 0.8091590 0.0248225), wk = 0.0028571 k( 219) = ( 0.0000000 0.8121830 0.0398509), wk = 0.0028571 k( 220) = ( 0.0000000 0.8152071 0.0548793), wk = 0.0028571 k( 221) = ( 0.0000000 0.8182311 0.0699077), wk = 0.0028571 k( 222) = ( 0.0000000 0.8212551 0.0849361), wk = 0.0028571 k( 223) = ( 0.0000000 0.8242791 0.0999644), wk = 0.0028571 k( 224) = ( 0.0000000 0.8273032 0.1149928), wk = 0.0028571 k( 225) = ( 0.0000000 0.8303272 0.1300212), wk = 0.0028571 k( 226) = ( 0.0000000 0.8333512 0.1450496), wk = 0.0028571 k( 227) = ( 0.0000000 0.8363752 0.1600779), wk = 0.0028571 k( 228) = ( 0.0000000 0.8393993 0.1751063), wk = 0.0028571 k( 229) = ( 0.0000000 0.8424233 0.1901347), wk = 0.0028571 k( 230) = ( 0.0000000 0.8454473 0.2051631), wk = 0.0028571 k( 231) = ( 0.0000000 0.8484714 0.2201914), wk = 0.0028571 k( 232) = ( 0.0000000 0.8514954 0.2352198), wk = 0.0028571 k( 233) = ( 0.0000000 0.8545194 0.2502482), wk = 0.0028571 k( 234) = ( 0.5000000 0.6912219 0.5612841), wk = 0.0028571 k( 235) = ( 0.5000000 0.6758614 0.5612841), wk = 0.0028571 k( 236) = ( 0.5000000 0.6605009 0.5612841), wk = 0.0028571 k( 237) = ( 0.5000000 0.6451404 0.5612841), wk = 0.0028571 k( 238) = ( 0.5000000 0.6297800 0.5612841), wk = 0.0028571 k( 239) = ( 0.5000000 0.6144195 0.5612841), wk = 0.0028571 k( 240) = ( 0.5000000 0.5990590 0.5612841), wk = 0.0028571 k( 241) = ( 0.5000000 0.5836985 0.5612841), wk = 0.0028571 k( 242) = ( 0.5000000 0.5683380 0.5612841), wk = 0.0028571 k( 243) = ( 0.5000000 0.5529775 0.5612841), wk = 0.0028571 k( 244) = ( 0.5000000 0.5376170 0.5612841), wk = 0.0028571 k( 245) = ( 0.5000000 0.5222565 0.5612841), wk = 0.0028571 k( 246) = ( 0.5000000 0.5068961 0.5612841), wk = 0.0028571 k( 247) = ( 0.5000000 0.4915356 0.5612841), wk = 0.0028571 k( 248) = ( 0.5000000 0.4761751 0.5612841), wk = 0.0028571 k( 249) = ( 0.5000000 0.4608146 0.5612841), wk = 0.0028571 k( 250) = ( 0.5000000 0.4454541 0.5612841), wk = 0.0028571 k( 251) = ( 0.5000000 0.4300936 0.5612841), wk = 0.0028571 k( 252) = ( 0.5000000 0.4147331 0.5612841), wk = 0.0028571 k( 253) = ( 0.5000000 0.3993727 0.5612841), wk = 0.0028571 k( 254) = ( 0.5000000 0.3840122 0.5612841), wk = 0.0028571 k( 255) = ( 0.5000000 0.3686517 0.5612841), wk = 0.0028571 k( 256) = ( 0.5000000 0.3532912 0.5612841), wk = 0.0028571 k( 257) = ( 0.5000000 0.3379307 0.5612841), wk = 0.0028571 k( 258) = ( 0.5000000 0.3225702 0.5612841), wk = 0.0028571 k( 259) = ( 0.5000000 0.3072097 0.5612841), wk = 0.0028571 k( 260) = ( 0.5000000 0.2918492 0.5612841), wk = 0.0028571 k( 261) = ( 0.5000000 0.2764888 0.5612841), wk = 0.0028571 k( 262) = ( 0.5000000 0.2611283 0.5612841), wk = 0.0028571 k( 263) = ( 0.5000000 0.2457678 0.5612841), wk = 0.0028571 k( 264) = ( 0.5000000 0.2304073 0.5612841), wk = 0.0028571 k( 265) = ( 0.5000000 0.2150468 0.5612841), wk = 0.0028571 k( 266) = ( 0.5000000 0.1996863 0.5612841), wk = 0.0028571 k( 267) = ( 0.5000000 0.1843258 0.5612841), wk = 0.0028571 k( 268) = ( 0.5000000 0.1689654 0.5612841), wk = 0.0028571 k( 269) = ( 0.5000000 0.1536049 0.5612841), wk = 0.0028571 k( 270) = ( 0.5000000 0.1382444 0.5612841), wk = 0.0028571 k( 271) = ( 0.5000000 0.1228839 0.5612841), wk = 0.0028571 k( 272) = ( 0.5000000 0.1075234 0.5612841), wk = 0.0028571 k( 273) = ( 0.5000000 0.0921629 0.5612841), wk = 0.0028571 k( 274) = ( 0.5000000 0.0768024 0.5612841), wk = 0.0028571 k( 275) = ( 0.5000000 0.0614420 0.5612841), wk = 0.0028571 k( 276) = ( 0.5000000 0.0460815 0.5612841), wk = 0.0028571 k( 277) = ( 0.5000000 0.0307210 0.5612841), wk = 0.0028571 k( 278) = ( 0.5000000 0.0153605 0.5612841), wk = 0.0028571 k( 279) = ( 0.5000000 -0.0000000 0.5612841), wk = 0.0028571 k( 280) = ( 0.5000000 -0.0000000 0.5612841), wk = 0.0028571 k( 281) = ( 0.5000000 -0.0000000 0.5456929), wk = 0.0028571 k( 282) = ( 0.5000000 -0.0000000 0.5301017), wk = 0.0028571 k( 283) = ( 0.5000000 -0.0000000 0.5145105), wk = 0.0028571 k( 284) = ( 0.5000000 -0.0000000 0.4989192), wk = 0.0028571 k( 285) = ( 0.5000000 -0.0000000 0.4833280), wk = 0.0028571 k( 286) = ( 0.5000000 -0.0000000 0.4677368), wk = 0.0028571 k( 287) = ( 0.5000000 -0.0000000 0.4521456), wk = 0.0028571 k( 288) = ( 0.5000000 -0.0000000 0.4365543), wk = 0.0028571 k( 289) = ( 0.5000000 -0.0000000 0.4209631), wk = 0.0028571 k( 290) = ( 0.5000000 -0.0000000 0.4053719), wk = 0.0028571 k( 291) = ( 0.5000000 -0.0000000 0.3897807), wk = 0.0028571 k( 292) = ( 0.5000000 -0.0000000 0.3741894), wk = 0.0028571 k( 293) = ( 0.5000000 -0.0000000 0.3585982), wk = 0.0028571 k( 294) = ( 0.5000000 -0.0000000 0.3430070), wk = 0.0028571 k( 295) = ( 0.5000000 -0.0000000 0.3274158), wk = 0.0028571 k( 296) = ( 0.5000000 -0.0000000 0.3118245), wk = 0.0028571 k( 297) = ( 0.5000000 -0.0000000 0.2962333), wk = 0.0028571 k( 298) = ( 0.5000000 -0.0000000 0.2806421), wk = 0.0028571 k( 299) = ( 0.5000000 -0.0000000 0.2650508), wk = 0.0028571 k( 300) = ( 0.5000000 -0.0000000 0.2494596), wk = 0.0028571 k( 301) = ( 0.5000000 -0.0000000 0.2338684), wk = 0.0028571 k( 302) = ( 0.5000000 -0.0000000 0.2182772), wk = 0.0028571 k( 303) = ( 0.5000000 -0.0000000 0.2026859), wk = 0.0028571 k( 304) = ( 0.5000000 -0.0000000 0.1870947), wk = 0.0028571 k( 305) = ( 0.5000000 -0.0000000 0.1715035), wk = 0.0028571 k( 306) = ( 0.5000000 -0.0000000 0.1559123), wk = 0.0028571 k( 307) = ( 0.5000000 -0.0000000 0.1403210), wk = 0.0028571 k( 308) = ( 0.5000000 -0.0000000 0.1247298), wk = 0.0028571 k( 309) = ( 0.5000000 -0.0000000 0.1091386), wk = 0.0028571 k( 310) = ( 0.5000000 -0.0000000 0.0935474), wk = 0.0028571 k( 311) = ( 0.5000000 -0.0000000 0.0779561), wk = 0.0028571 k( 312) = ( 0.5000000 -0.0000000 0.0623649), wk = 0.0028571 k( 313) = ( 0.5000000 -0.0000000 0.0467737), wk = 0.0028571 k( 314) = ( 0.5000000 -0.0000000 0.0311825), wk = 0.0028571 k( 315) = ( 0.5000000 -0.0000000 0.0155912), wk = 0.0028571 k( 316) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0028571 k( 317) = ( 0.0000000 0.0000000 0.5612841), wk = 0.0028571 k( 318) = ( 0.0151515 -0.0000000 0.5612841), wk = 0.0028571 k( 319) = ( 0.0303030 -0.0000000 0.5612841), wk = 0.0028571 k( 320) = ( 0.0454546 -0.0000000 0.5612841), wk = 0.0028571 k( 321) = ( 0.0606061 -0.0000000 0.5612841), wk = 0.0028571 k( 322) = ( 0.0757576 -0.0000000 0.5612841), wk = 0.0028571 k( 323) = ( 0.0909091 -0.0000000 0.5612841), wk = 0.0028571 k( 324) = ( 0.1060606 -0.0000000 0.5612841), wk = 0.0028571 k( 325) = ( 0.1212121 -0.0000000 0.5612841), wk = 0.0028571 k( 326) = ( 0.1363636 -0.0000000 0.5612841), wk = 0.0028571 k( 327) = ( 0.1515151 -0.0000000 0.5612841), wk = 0.0028571 k( 328) = ( 0.1666667 -0.0000000 0.5612841), wk = 0.0028571 k( 329) = ( 0.1818182 -0.0000000 0.5612841), wk = 0.0028571 k( 330) = ( 0.1969697 -0.0000000 0.5612841), wk = 0.0028571 k( 331) = ( 0.2121212 -0.0000000 0.5612841), wk = 0.0028571 k( 332) = ( 0.2272727 -0.0000000 0.5612841), wk = 0.0028571 k( 333) = ( 0.2424242 -0.0000000 0.5612841), wk = 0.0028571 k( 334) = ( 0.2575758 -0.0000000 0.5612841), wk = 0.0028571 k( 335) = ( 0.2727273 -0.0000000 0.5612841), wk = 0.0028571 k( 336) = ( 0.2878788 -0.0000000 0.5612841), wk = 0.0028571 k( 337) = ( 0.3030303 -0.0000000 0.5612841), wk = 0.0028571 k( 338) = ( 0.3181818 -0.0000000 0.5612841), wk = 0.0028571 k( 339) = ( 0.3333333 -0.0000000 0.5612841), wk = 0.0028571 k( 340) = ( 0.3484849 -0.0000000 0.5612841), wk = 0.0028571 k( 341) = ( 0.3636364 -0.0000000 0.5612841), wk = 0.0028571 k( 342) = ( 0.3787879 -0.0000000 0.5612841), wk = 0.0028571 k( 343) = ( 0.3939394 -0.0000000 0.5612841), wk = 0.0028571 k( 344) = ( 0.4090909 -0.0000000 0.5612841), wk = 0.0028571 k( 345) = ( 0.4242424 -0.0000000 0.5612841), wk = 0.0028571 k( 346) = ( 0.4393939 -0.0000000 0.5612841), wk = 0.0028571 k( 347) = ( 0.4545455 -0.0000000 0.5612841), wk = 0.0028571 k( 348) = ( 0.4696970 -0.0000000 0.5612841), wk = 0.0028571 k( 349) = ( 0.4848485 -0.0000000 0.5612841), wk = 0.0028571 k( 350) = ( 0.5000000 -0.0000000 0.5612841), wk = 0.0028571 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 2) = ( 0.0000000 0.0000000 0.0138889), wk = 0.0028571 k( 3) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0028571 k( 4) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0028571 k( 5) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0028571 k( 6) = ( 0.0000000 0.0000000 0.0694444), wk = 0.0028571 k( 7) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0028571 k( 8) = ( 0.0000000 0.0000000 0.0972222), wk = 0.0028571 k( 9) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0028571 k( 10) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0028571 k( 11) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0028571 k( 12) = ( 0.0000000 0.0000000 0.1527778), wk = 0.0028571 k( 13) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0028571 k( 14) = ( 0.0000000 0.0000000 0.1805556), wk = 0.0028571 k( 15) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0028571 k( 16) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0028571 k( 17) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0028571 k( 18) = ( 0.0000000 0.0000000 0.2361111), wk = 0.0028571 k( 19) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0028571 k( 20) = ( 0.0000000 0.0000000 0.2638889), wk = 0.0028571 k( 21) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0028571 k( 22) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0028571 k( 23) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0028571 k( 24) = ( 0.0000000 0.0000000 0.3194444), wk = 0.0028571 k( 25) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0028571 k( 26) = ( 0.0000000 0.0000000 0.3472222), wk = 0.0028571 k( 27) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0028571 k( 28) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0028571 k( 29) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0028571 k( 30) = ( 0.0000000 0.0000000 0.4027778), wk = 0.0028571 k( 31) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0028571 k( 32) = ( 0.0000000 0.0000000 0.4305556), wk = 0.0028571 k( 33) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0028571 k( 34) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0028571 k( 35) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0028571 k( 36) = ( 0.0000000 0.0000000 0.4861111), wk = 0.0028571 k( 37) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028571 k( 38) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028571 k( 39) = ( 0.0000000 0.0099373 0.5027534), wk = 0.0028571 k( 40) = ( 0.0000000 0.0198746 0.5055068), wk = 0.0028571 k( 41) = ( 0.0000000 0.0298119 0.5082601), wk = 0.0028571 k( 42) = ( 0.0000000 0.0397492 0.5110135), wk = 0.0028571 k( 43) = ( 0.0000000 0.0496865 0.5137669), wk = 0.0028571 k( 44) = ( 0.0000000 0.0596238 0.5165203), wk = 0.0028571 k( 45) = ( 0.0000000 0.0695611 0.5192737), wk = 0.0028571 k( 46) = ( 0.0000000 0.0794984 0.5220270), wk = 0.0028571 k( 47) = ( 0.0000000 0.0894357 0.5247804), wk = 0.0028571 k( 48) = ( 0.0000000 0.0993729 0.5275338), wk = 0.0028571 k( 49) = ( 0.0000000 0.1093102 0.5302872), wk = 0.0028571 k( 50) = ( 0.0000000 0.1192475 0.5330405), wk = 0.0028571 k( 51) = ( 0.0000000 0.1291848 0.5357939), wk = 0.0028571 k( 52) = ( 0.0000000 0.1391221 0.5385473), wk = 0.0028571 k( 53) = ( 0.0000000 0.1490594 0.5413007), wk = 0.0028571 k( 54) = ( 0.0000000 0.1589967 0.5440541), wk = 0.0028571 k( 55) = ( 0.0000000 0.1689340 0.5468074), wk = 0.0028571 k( 56) = ( 0.0000000 0.1788713 0.5495608), wk = 0.0028571 k( 57) = ( 0.0000000 0.1888086 0.5523142), wk = 0.0028571 k( 58) = ( 0.0000000 0.1987459 0.5550676), wk = 0.0028571 k( 59) = ( 0.0000000 0.2086832 0.5578210), wk = 0.0028571 k( 60) = ( 0.0000000 0.2186205 0.5605743), wk = 0.0028571 k( 61) = ( 0.0000000 0.2285578 0.5633277), wk = 0.0028571 k( 62) = ( 0.0000000 0.2384951 0.5660811), wk = 0.0028571 k( 63) = ( 0.0000000 0.2484324 0.5688345), wk = 0.0028571 k( 64) = ( 0.0000000 0.2583697 0.5715879), wk = 0.0028571 k( 65) = ( 0.0000000 0.2683069 0.5743412), wk = 0.0028571 k( 66) = ( 0.0000000 0.2782442 0.5770946), wk = 0.0028571 k( 67) = ( 0.0000000 0.2881815 0.5798480), wk = 0.0028571 k( 68) = ( 0.0000000 0.2981188 0.5826014), wk = 0.0028571 k( 69) = ( 0.0000000 0.3080561 0.5853548), wk = 0.0028571 k( 70) = ( 0.0000000 0.3179934 0.5881081), wk = 0.0028571 k( 71) = ( 0.0000000 0.3279307 0.5908615), wk = 0.0028571 k( 72) = ( 0.0000000 0.3378680 0.5936149), wk = 0.0028571 k( 73) = ( 0.0000000 0.3478053 0.5963683), wk = 0.0028571 k( 74) = ( 0.0000000 0.3577426 0.5991216), wk = 0.0028571 k( 75) = ( 0.0000000 0.3676799 0.6018750), wk = 0.0028571 k( 76) = ( 0.0000000 0.3776172 0.6046284), wk = 0.0028571 k( 77) = ( 0.0000000 0.3875545 0.6073818), wk = 0.0028571 k( 78) = ( 0.0000000 0.3974918 0.6101352), wk = 0.0028571 k( 79) = ( 0.0000000 0.4074291 0.6128885), wk = 0.0028571 k( 80) = ( 0.0000000 0.4173664 0.6156419), wk = 0.0028571 k( 81) = ( 0.0000000 0.4273037 0.6183953), wk = 0.0028571 k( 82) = ( 0.0000000 0.4372410 0.6211487), wk = 0.0028571 k( 83) = ( 0.0000000 0.4471782 0.6239020), wk = 0.0028571 k( 84) = ( 0.0000000 0.4471782 0.6239020), wk = 0.0028571 k( 85) = ( 0.0000000 0.4515801 0.6135769), wk = 0.0028571 k( 86) = ( 0.0000000 0.4559819 0.6032517), wk = 0.0028571 k( 87) = ( 0.0000000 0.4603837 0.5929265), wk = 0.0028571 k( 88) = ( 0.0000000 0.4647855 0.5826014), wk = 0.0028571 k( 89) = ( 0.0000000 0.4691873 0.5722762), wk = 0.0028571 k( 90) = ( 0.0000000 0.4735891 0.5619510), wk = 0.0028571 k( 91) = ( 0.0000000 0.4779909 0.5516258), wk = 0.0028571 k( 92) = ( 0.0000000 0.4823927 0.5413007), wk = 0.0028571 k( 93) = ( 0.0000000 0.4867946 0.5309755), wk = 0.0028571 k( 94) = ( 0.0000000 0.4911964 0.5206503), wk = 0.0028571 k( 95) = ( 0.0000000 0.4955982 0.5103252), wk = 0.0028571 k( 96) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028571 k( 97) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028571 k( 98) = ( 0.0151515 0.5000000 0.5000000), wk = 0.0028571 k( 99) = ( 0.0303030 0.5000000 0.5000000), wk = 0.0028571 k( 100) = ( 0.0454546 0.5000000 0.5000000), wk = 0.0028571 k( 101) = ( 0.0606061 0.5000000 0.5000000), wk = 0.0028571 k( 102) = ( 0.0757576 0.5000000 0.5000000), wk = 0.0028571 k( 103) = ( 0.0909091 0.5000000 0.5000000), wk = 0.0028571 k( 104) = ( 0.1060606 0.5000000 0.5000000), wk = 0.0028571 k( 105) = ( 0.1212121 0.5000000 0.5000000), wk = 0.0028571 k( 106) = ( 0.1363636 0.5000000 0.5000000), wk = 0.0028571 k( 107) = ( 0.1515151 0.5000000 0.5000000), wk = 0.0028571 k( 108) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0028571 k( 109) = ( 0.1818182 0.5000000 0.5000000), wk = 0.0028571 k( 110) = ( 0.1969697 0.5000000 0.5000000), wk = 0.0028571 k( 111) = ( 0.2121212 0.5000000 0.5000000), wk = 0.0028571 k( 112) = ( 0.2272727 0.5000000 0.5000000), wk = 0.0028571 k( 113) = ( 0.2424242 0.5000000 0.5000000), wk = 0.0028571 k( 114) = ( 0.2575758 0.5000000 0.5000000), wk = 0.0028571 k( 115) = ( 0.2727273 0.5000000 0.5000000), wk = 0.0028571 k( 116) = ( 0.2878788 0.5000000 0.5000000), wk = 0.0028571 k( 117) = ( 0.3030303 0.5000000 0.5000000), wk = 0.0028571 k( 118) = ( 0.3181818 0.5000000 0.5000000), wk = 0.0028571 k( 119) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0028571 k( 120) = ( 0.3484849 0.5000000 0.5000000), wk = 0.0028571 k( 121) = ( 0.3636364 0.5000000 0.5000000), wk = 0.0028571 k( 122) = ( 0.3787879 0.5000000 0.5000000), wk = 0.0028571 k( 123) = ( 0.3939394 0.5000000 0.5000000), wk = 0.0028571 k( 124) = ( 0.4090909 0.5000000 0.5000000), wk = 0.0028571 k( 125) = ( 0.4242424 0.5000000 0.5000000), wk = 0.0028571 k( 126) = ( 0.4393939 0.5000000 0.5000000), wk = 0.0028571 k( 127) = ( 0.4545455 0.5000000 0.5000000), wk = 0.0028571 k( 128) = ( 0.4696970 0.5000000 0.5000000), wk = 0.0028571 k( 129) = ( 0.4848485 0.5000000 0.5000000), wk = 0.0028571 k( 130) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028571 k( 131) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028571 k( 132) = ( 0.5000000 0.5044018 0.4896748), wk = 0.0028571 k( 133) = ( 0.5000000 0.5088036 0.4793497), wk = 0.0028571 k( 134) = ( 0.5000000 0.5132054 0.4690245), wk = 0.0028571 k( 135) = ( 0.5000000 0.5176072 0.4586993), wk = 0.0028571 k( 136) = ( 0.5000000 0.5220091 0.4483742), wk = 0.0028571 k( 137) = ( 0.5000000 0.5264109 0.4380490), wk = 0.0028571 k( 138) = ( 0.5000000 0.5308127 0.4277238), wk = 0.0028571 k( 139) = ( 0.5000000 0.5352145 0.4173986), wk = 0.0028571 k( 140) = ( 0.5000000 0.5396163 0.4070735), wk = 0.0028571 k( 141) = ( 0.5000000 0.5440181 0.3967483), wk = 0.0028571 k( 142) = ( 0.5000000 0.5484199 0.3864231), wk = 0.0028571 k( 143) = ( 0.5000000 0.5528218 0.3760980), wk = 0.0028571 k( 144) = ( 0.5000000 0.5528218 0.3760980), wk = 0.0028571 k( 145) = ( 0.5000000 0.5508654 0.3621684), wk = 0.0028571 k( 146) = ( 0.5000000 0.5489090 0.3482388), wk = 0.0028571 k( 147) = ( 0.5000000 0.5469527 0.3343093), wk = 0.0028571 k( 148) = ( 0.5000000 0.5449963 0.3203797), wk = 0.0028571 k( 149) = ( 0.5000000 0.5430399 0.3064502), wk = 0.0028571 k( 150) = ( 0.5000000 0.5410836 0.2925206), wk = 0.0028571 k( 151) = ( 0.5000000 0.5391272 0.2785911), wk = 0.0028571 k( 152) = ( 0.5000000 0.5371709 0.2646615), wk = 0.0028571 k( 153) = ( 0.5000000 0.5352145 0.2507320), wk = 0.0028571 k( 154) = ( 0.5000000 0.5332581 0.2368024), wk = 0.0028571 k( 155) = ( 0.5000000 0.5313018 0.2228729), wk = 0.0028571 k( 156) = ( 0.5000000 0.5293454 0.2089433), wk = 0.0028571 k( 157) = ( 0.5000000 0.5273891 0.1950138), wk = 0.0028571 k( 158) = ( 0.5000000 0.5254327 0.1810842), wk = 0.0028571 k( 159) = ( 0.5000000 0.5234763 0.1671546), wk = 0.0028571 k( 160) = ( 0.5000000 0.5215200 0.1532251), wk = 0.0028571 k( 161) = ( 0.5000000 0.5195636 0.1392955), wk = 0.0028571 k( 162) = ( 0.5000000 0.5176072 0.1253660), wk = 0.0028571 k( 163) = ( 0.5000000 0.5156509 0.1114364), wk = 0.0028571 k( 164) = ( 0.5000000 0.5136945 0.0975069), wk = 0.0028571 k( 165) = ( 0.5000000 0.5117382 0.0835773), wk = 0.0028571 k( 166) = ( 0.5000000 0.5097818 0.0696478), wk = 0.0028571 k( 167) = ( 0.5000000 0.5078254 0.0557182), wk = 0.0028571 k( 168) = ( 0.5000000 0.5058691 0.0417887), wk = 0.0028571 k( 169) = ( 0.5000000 0.5039127 0.0278591), wk = 0.0028571 k( 170) = ( 0.5000000 0.5019564 0.0139296), wk = 0.0028571 k( 171) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028571 k( 172) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028571 k( 173) = ( 0.4848485 0.5000000 0.0000000), wk = 0.0028571 k( 174) = ( 0.4696970 0.5000000 0.0000000), wk = 0.0028571 k( 175) = ( 0.4545455 0.5000000 0.0000000), wk = 0.0028571 k( 176) = ( 0.4393939 0.5000000 0.0000000), wk = 0.0028571 k( 177) = ( 0.4242424 0.5000000 0.0000000), wk = 0.0028571 k( 178) = ( 0.4090909 0.5000000 0.0000000), wk = 0.0028571 k( 179) = ( 0.3939394 0.5000000 0.0000000), wk = 0.0028571 k( 180) = ( 0.3787879 0.5000000 0.0000000), wk = 0.0028571 k( 181) = ( 0.3636364 0.5000000 0.0000000), wk = 0.0028571 k( 182) = ( 0.3484849 0.5000000 0.0000000), wk = 0.0028571 k( 183) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0028571 k( 184) = ( 0.3181818 0.5000000 0.0000000), wk = 0.0028571 k( 185) = ( 0.3030303 0.5000000 0.0000000), wk = 0.0028571 k( 186) = ( 0.2878788 0.5000000 0.0000000), wk = 0.0028571 k( 187) = ( 0.2727273 0.5000000 0.0000000), wk = 0.0028571 k( 188) = ( 0.2575758 0.5000000 0.0000000), wk = 0.0028571 k( 189) = ( 0.2424242 0.5000000 0.0000000), wk = 0.0028571 k( 190) = ( 0.2272727 0.5000000 0.0000000), wk = 0.0028571 k( 191) = ( 0.2121212 0.5000000 0.0000000), wk = 0.0028571 k( 192) = ( 0.1969697 0.5000000 0.0000000), wk = 0.0028571 k( 193) = ( 0.1818182 0.5000000 0.0000000), wk = 0.0028571 k( 194) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0028571 k( 195) = ( 0.1515151 0.5000000 0.0000000), wk = 0.0028571 k( 196) = ( 0.1363636 0.5000000 0.0000000), wk = 0.0028571 k( 197) = ( 0.1212121 0.5000000 0.0000000), wk = 0.0028571 k( 198) = ( 0.1060606 0.5000000 0.0000000), wk = 0.0028571 k( 199) = ( 0.0909091 0.5000000 0.0000000), wk = 0.0028571 k( 200) = ( 0.0757576 0.5000000 0.0000000), wk = 0.0028571 k( 201) = ( 0.0606061 0.5000000 0.0000000), wk = 0.0028571 k( 202) = ( 0.0454546 0.5000000 0.0000000), wk = 0.0028571 k( 203) = ( 0.0303030 0.5000000 0.0000000), wk = 0.0028571 k( 204) = ( 0.0151515 0.5000000 0.0000000), wk = 0.0028571 k( 205) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028571 k( 206) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028571 k( 207) = ( 0.0000000 0.5019564 0.0139296), wk = 0.0028571 k( 208) = ( 0.0000000 0.5039127 0.0278591), wk = 0.0028571 k( 209) = ( 0.0000000 0.5058691 0.0417887), wk = 0.0028571 k( 210) = ( 0.0000000 0.5078254 0.0557182), wk = 0.0028571 k( 211) = ( 0.0000000 0.5097818 0.0696478), wk = 0.0028571 k( 212) = ( 0.0000000 0.5117382 0.0835773), wk = 0.0028571 k( 213) = ( 0.0000000 0.5136945 0.0975069), wk = 0.0028571 k( 214) = ( 0.0000000 0.5156509 0.1114364), wk = 0.0028571 k( 215) = ( 0.0000000 0.5176072 0.1253660), wk = 0.0028571 k( 216) = ( 0.0000000 0.5195636 0.1392955), wk = 0.0028571 k( 217) = ( 0.0000000 0.5215200 0.1532251), wk = 0.0028571 k( 218) = ( 0.0000000 0.5234763 0.1671546), wk = 0.0028571 k( 219) = ( 0.0000000 0.5254327 0.1810842), wk = 0.0028571 k( 220) = ( 0.0000000 0.5273891 0.1950138), wk = 0.0028571 k( 221) = ( 0.0000000 0.5293454 0.2089433), wk = 0.0028571 k( 222) = ( 0.0000000 0.5313018 0.2228729), wk = 0.0028571 k( 223) = ( 0.0000000 0.5332581 0.2368024), wk = 0.0028571 k( 224) = ( 0.0000000 0.5352145 0.2507320), wk = 0.0028571 k( 225) = ( 0.0000000 0.5371709 0.2646615), wk = 0.0028571 k( 226) = ( 0.0000000 0.5391272 0.2785911), wk = 0.0028571 k( 227) = ( 0.0000000 0.5410836 0.2925206), wk = 0.0028571 k( 228) = ( 0.0000000 0.5430399 0.3064502), wk = 0.0028571 k( 229) = ( 0.0000000 0.5449963 0.3203797), wk = 0.0028571 k( 230) = ( 0.0000000 0.5469527 0.3343093), wk = 0.0028571 k( 231) = ( 0.0000000 0.5489090 0.3482388), wk = 0.0028571 k( 232) = ( 0.0000000 0.5508654 0.3621684), wk = 0.0028571 k( 233) = ( 0.0000000 0.5528218 0.3760980), wk = 0.0028571 k( 234) = ( 0.5000000 0.4471783 0.6239020), wk = 0.0028571 k( 235) = ( 0.5000000 0.4372410 0.6211487), wk = 0.0028571 k( 236) = ( 0.5000000 0.4273037 0.6183953), wk = 0.0028571 k( 237) = ( 0.5000000 0.4173664 0.6156419), wk = 0.0028571 k( 238) = ( 0.5000000 0.4074291 0.6128885), wk = 0.0028571 k( 239) = ( 0.5000000 0.3974918 0.6101352), wk = 0.0028571 k( 240) = ( 0.5000000 0.3875545 0.6073818), wk = 0.0028571 k( 241) = ( 0.5000000 0.3776172 0.6046284), wk = 0.0028571 k( 242) = ( 0.5000000 0.3676799 0.6018750), wk = 0.0028571 k( 243) = ( 0.5000000 0.3577426 0.5991216), wk = 0.0028571 k( 244) = ( 0.5000000 0.3478053 0.5963683), wk = 0.0028571 k( 245) = ( 0.5000000 0.3378680 0.5936149), wk = 0.0028571 k( 246) = ( 0.5000000 0.3279307 0.5908615), wk = 0.0028571 k( 247) = ( 0.5000000 0.3179934 0.5881081), wk = 0.0028571 k( 248) = ( 0.5000000 0.3080561 0.5853548), wk = 0.0028571 k( 249) = ( 0.5000000 0.2981188 0.5826014), wk = 0.0028571 k( 250) = ( 0.5000000 0.2881815 0.5798480), wk = 0.0028571 k( 251) = ( 0.5000000 0.2782442 0.5770946), wk = 0.0028571 k( 252) = ( 0.5000000 0.2683069 0.5743412), wk = 0.0028571 k( 253) = ( 0.5000000 0.2583697 0.5715879), wk = 0.0028571 k( 254) = ( 0.5000000 0.2484324 0.5688345), wk = 0.0028571 k( 255) = ( 0.5000000 0.2384951 0.5660811), wk = 0.0028571 k( 256) = ( 0.5000000 0.2285578 0.5633277), wk = 0.0028571 k( 257) = ( 0.5000000 0.2186205 0.5605743), wk = 0.0028571 k( 258) = ( 0.5000000 0.2086832 0.5578210), wk = 0.0028571 k( 259) = ( 0.5000000 0.1987459 0.5550676), wk = 0.0028571 k( 260) = ( 0.5000000 0.1888086 0.5523142), wk = 0.0028571 k( 261) = ( 0.5000000 0.1788713 0.5495608), wk = 0.0028571 k( 262) = ( 0.5000000 0.1689340 0.5468074), wk = 0.0028571 k( 263) = ( 0.5000000 0.1589967 0.5440541), wk = 0.0028571 k( 264) = ( 0.5000000 0.1490594 0.5413007), wk = 0.0028571 k( 265) = ( 0.5000000 0.1391221 0.5385473), wk = 0.0028571 k( 266) = ( 0.5000000 0.1291848 0.5357939), wk = 0.0028571 k( 267) = ( 0.5000000 0.1192475 0.5330405), wk = 0.0028571 k( 268) = ( 0.5000000 0.1093102 0.5302872), wk = 0.0028571 k( 269) = ( 0.5000000 0.0993729 0.5275338), wk = 0.0028571 k( 270) = ( 0.5000000 0.0894357 0.5247804), wk = 0.0028571 k( 271) = ( 0.5000000 0.0794984 0.5220270), wk = 0.0028571 k( 272) = ( 0.5000000 0.0695611 0.5192737), wk = 0.0028571 k( 273) = ( 0.5000000 0.0596238 0.5165203), wk = 0.0028571 k( 274) = ( 0.5000000 0.0496865 0.5137669), wk = 0.0028571 k( 275) = ( 0.5000000 0.0397492 0.5110135), wk = 0.0028571 k( 276) = ( 0.5000000 0.0298119 0.5082601), wk = 0.0028571 k( 277) = ( 0.5000000 0.0198746 0.5055068), wk = 0.0028571 k( 278) = ( 0.5000000 0.0099373 0.5027534), wk = 0.0028571 k( 279) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028571 k( 280) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028571 k( 281) = ( 0.5000000 0.0000000 0.4861111), wk = 0.0028571 k( 282) = ( 0.5000000 0.0000000 0.4722222), wk = 0.0028571 k( 283) = ( 0.5000000 0.0000000 0.4583333), wk = 0.0028571 k( 284) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0028571 k( 285) = ( 0.5000000 0.0000000 0.4305556), wk = 0.0028571 k( 286) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0028571 k( 287) = ( 0.5000000 0.0000000 0.4027778), wk = 0.0028571 k( 288) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0028571 k( 289) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0028571 k( 290) = ( 0.5000000 0.0000000 0.3611111), wk = 0.0028571 k( 291) = ( 0.5000000 0.0000000 0.3472222), wk = 0.0028571 k( 292) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0028571 k( 293) = ( 0.5000000 0.0000000 0.3194444), wk = 0.0028571 k( 294) = ( 0.5000000 0.0000000 0.3055556), wk = 0.0028571 k( 295) = ( 0.5000000 0.0000000 0.2916667), wk = 0.0028571 k( 296) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0028571 k( 297) = ( 0.5000000 0.0000000 0.2638889), wk = 0.0028571 k( 298) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0028571 k( 299) = ( 0.5000000 0.0000000 0.2361111), wk = 0.0028571 k( 300) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0028571 k( 301) = ( 0.5000000 0.0000000 0.2083333), wk = 0.0028571 k( 302) = ( 0.5000000 0.0000000 0.1944444), wk = 0.0028571 k( 303) = ( 0.5000000 0.0000000 0.1805556), wk = 0.0028571 k( 304) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0028571 k( 305) = ( 0.5000000 0.0000000 0.1527778), wk = 0.0028571 k( 306) = ( 0.5000000 0.0000000 0.1388889), wk = 0.0028571 k( 307) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0028571 k( 308) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0028571 k( 309) = ( 0.5000000 0.0000000 0.0972222), wk = 0.0028571 k( 310) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0028571 k( 311) = ( 0.5000000 0.0000000 0.0694444), wk = 0.0028571 k( 312) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0028571 k( 313) = ( 0.5000000 0.0000000 0.0416667), wk = 0.0028571 k( 314) = ( 0.5000000 0.0000000 0.0277778), wk = 0.0028571 k( 315) = ( 0.5000000 0.0000000 0.0138889), wk = 0.0028571 k( 316) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028571 k( 317) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028571 k( 318) = ( 0.0151515 0.0000000 0.5000000), wk = 0.0028571 k( 319) = ( 0.0303030 0.0000000 0.5000000), wk = 0.0028571 k( 320) = ( 0.0454546 -0.0000000 0.5000000), wk = 0.0028571 k( 321) = ( 0.0606061 0.0000000 0.5000000), wk = 0.0028571 k( 322) = ( 0.0757576 0.0000000 0.5000000), wk = 0.0028571 k( 323) = ( 0.0909091 0.0000000 0.5000000), wk = 0.0028571 k( 324) = ( 0.1060606 0.0000000 0.5000000), wk = 0.0028571 k( 325) = ( 0.1212121 0.0000000 0.5000000), wk = 0.0028571 k( 326) = ( 0.1363636 0.0000000 0.5000000), wk = 0.0028571 k( 327) = ( 0.1515151 0.0000000 0.5000000), wk = 0.0028571 k( 328) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0028571 k( 329) = ( 0.1818182 0.0000000 0.5000000), wk = 0.0028571 k( 330) = ( 0.1969697 0.0000000 0.5000000), wk = 0.0028571 k( 331) = ( 0.2121212 0.0000000 0.5000000), wk = 0.0028571 k( 332) = ( 0.2272727 0.0000000 0.5000000), wk = 0.0028571 k( 333) = ( 0.2424242 0.0000000 0.5000000), wk = 0.0028571 k( 334) = ( 0.2575758 0.0000000 0.5000000), wk = 0.0028571 k( 335) = ( 0.2727273 0.0000000 0.5000000), wk = 0.0028571 k( 336) = ( 0.2878788 0.0000000 0.5000000), wk = 0.0028571 k( 337) = ( 0.3030303 0.0000000 0.5000000), wk = 0.0028571 k( 338) = ( 0.3181818 -0.0000000 0.5000000), wk = 0.0028571 k( 339) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0028571 k( 340) = ( 0.3484849 0.0000000 0.5000000), wk = 0.0028571 k( 341) = ( 0.3636364 0.0000000 0.5000000), wk = 0.0028571 k( 342) = ( 0.3787879 0.0000000 0.5000000), wk = 0.0028571 k( 343) = ( 0.3939394 -0.0000000 0.5000000), wk = 0.0028571 k( 344) = ( 0.4090909 0.0000000 0.5000000), wk = 0.0028571 k( 345) = ( 0.4242424 0.0000000 0.5000000), wk = 0.0028571 k( 346) = ( 0.4393939 0.0000000 0.5000000), wk = 0.0028571 k( 347) = ( 0.4545455 0.0000000 0.5000000), wk = 0.0028571 k( 348) = ( 0.4696970 0.0000000 0.5000000), wk = 0.0028571 k( 349) = ( 0.4848485 0.0000000 0.5000000), wk = 0.0028571 k( 350) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028571 Dense grid: 45283 G-vectors FFT dimensions: ( 54, 36, 50) Smooth grid: 18047 G-vectors FFT dimensions: ( 40, 25, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 102, 40) NL pseudopotentials 0.09 Mb ( 51, 112) Each V/rho on FFT grid 0.06 Mb ( 3888) Each G-vector array 0.01 Mb ( 943) G-vector shells 0.01 Mb ( 920) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.25 Mb ( 102, 160) Each subspace H/S matrix 0.39 Mb ( 160, 160) Each matrix 0.14 Mb ( 112, 2, 40) Check: negative/imaginary core charge= -0.000006 0.000000 The potential is recalculated from file : ./BN.save/charge-density.dat negative rho (up, down): 1.136E-04 0.000E+00 Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 38.8 secs Computing kpt #: 2 total cpu time spent up to now is 39.3 secs Computing kpt #: 3 total cpu time spent up to now is 39.9 secs Computing kpt #: 4 total cpu time spent up to now is 40.5 secs Computing kpt #: 5 total cpu time spent up to now is 41.0 secs Computing kpt #: 6 total cpu time spent up to now is 41.6 secs Computing kpt #: 7 total cpu time spent up to now is 42.1 secs Computing kpt #: 8 total cpu time spent up to now is 42.7 secs Computing kpt #: 9 total cpu time spent up to now is 43.2 secs Computing kpt #: 10 total cpu time spent up to now is 43.8 secs Computing kpt #: 11 total cpu time spent up to now is 44.3 secs Computing kpt #: 12 total cpu time spent up to now is 44.9 secs Computing kpt #: 13 total cpu time spent up to now is 45.5 secs Computing kpt #: 14 total cpu time spent up to now is 46.1 secs Computing kpt #: 15 total cpu time spent up to now is 46.7 secs Computing kpt #: 16 total cpu time spent up to now is 47.4 secs Computing kpt #: 17 total cpu time spent up to now is 48.1 secs Computing kpt #: 18 total cpu time spent up to now is 48.7 secs Computing kpt #: 19 total cpu time spent up to now is 49.4 secs Computing kpt #: 20 total cpu time spent up to now is 50.0 secs Computing kpt #: 21 total cpu time spent up to now is 50.6 secs Computing kpt #: 22 total cpu time spent up to now is 51.1 secs Computing kpt #: 23 total cpu time spent up to now is 51.8 secs Computing kpt #: 24 total cpu time spent up to now is 52.4 secs Computing kpt #: 25 total cpu time spent up to now is 53.0 secs Computing kpt #: 26 total cpu time spent up to now is 53.6 secs Computing kpt #: 27 total cpu time spent up to now is 54.2 secs Computing kpt #: 28 total cpu time spent up to now is 54.9 secs Computing kpt #: 29 total cpu time spent up to now is 55.5 secs Computing kpt #: 30 total cpu time spent up to now is 56.2 secs Computing kpt #: 31 total cpu time spent up to now is 56.8 secs Computing kpt #: 32 total cpu time spent up to now is 57.5 secs Computing kpt #: 33 total cpu time spent up to now is 58.3 secs Computing kpt #: 34 total cpu time spent up to now is 59.0 secs Computing kpt #: 35 total cpu time spent up to now is 59.7 secs Computing kpt #: 36 total cpu time spent up to now is 60.5 secs Computing kpt #: 37 total cpu time spent up to now is 61.1 secs Computing kpt #: 38 total cpu time spent up to now is 61.8 secs Computing kpt #: 39 total cpu time spent up to now is 62.5 secs Computing kpt #: 40 total cpu time spent up to now is 63.2 secs Computing kpt #: 41 total cpu time spent up to now is 64.0 secs Computing kpt #: 42 total cpu time spent up to now is 64.9 secs Computing kpt #: 43 total cpu time spent up to now is 65.7 secs Computing kpt #: 44 total cpu time spent up to now is 66.5 secs Computing kpt #: 45 total cpu time spent up to now is 67.2 secs Computing kpt #: 46 total cpu time spent up to now is 68.2 secs Computing kpt #: 47 total cpu time spent up to now is 69.0 secs Computing kpt #: 48 total cpu time spent up to now is 69.9 secs Computing kpt #: 49 total cpu time spent up to now is 71.0 secs Computing kpt #: 50 total cpu time spent up to now is 72.1 secs Computing kpt #: 51 total cpu time spent up to now is 73.1 secs Computing kpt #: 52 total cpu time spent up to now is 74.0 secs Computing kpt #: 53 total cpu time spent up to now is 74.8 secs Computing kpt #: 54 total cpu time spent up to now is 75.7 secs Computing kpt #: 55 total cpu time spent up to now is 76.5 secs Computing kpt #: 56 total cpu time spent up to now is 77.3 secs Computing kpt #: 57 total cpu time spent up to now is 78.2 secs Computing kpt #: 58 total cpu time spent up to now is 79.0 secs Computing kpt #: 59 total cpu time spent up to now is 80.1 secs Computing kpt #: 60 total cpu time spent up to now is 81.1 secs Computing kpt #: 61 total cpu time spent up to now is 82.1 secs Computing kpt #: 62 total cpu time spent up to now is 83.0 secs Computing kpt #: 63 total cpu time spent up to now is 83.9 secs Computing kpt #: 64 total cpu time spent up to now is 84.8 secs Computing kpt #: 65 total cpu time spent up to now is 85.8 secs Computing kpt #: 66 total cpu time spent up to now is 86.8 secs Computing kpt #: 67 total cpu time spent up to now is 88.0 secs Computing kpt #: 68 total cpu time spent up to now is 88.9 secs Computing kpt #: 69 total cpu time spent up to now is 89.8 secs Computing kpt #: 70 total cpu time spent up to now is 90.8 secs Computing kpt #: 71 total cpu time spent up to now is 91.7 secs Computing kpt #: 72 total cpu time spent up to now is 92.7 secs Computing kpt #: 73 total cpu time spent up to now is 93.7 secs Computing kpt #: 74 total cpu time spent up to now is 94.7 secs Computing kpt #: 75 total cpu time spent up to now is 95.7 secs Computing kpt #: 76 total cpu time spent up to now is 96.8 secs Computing kpt #: 77 total cpu time spent up to now is 97.7 secs Computing kpt #: 78 total cpu time spent up to now is 98.9 secs Computing kpt #: 79 total cpu time spent up to now is 99.8 secs Computing kpt #: 80 total cpu time spent up to now is 100.7 secs Computing kpt #: 81 total cpu time spent up to now is 101.7 secs Computing kpt #: 82 total cpu time spent up to now is 102.7 secs Computing kpt #: 83 total cpu time spent up to now is 103.7 secs Computing kpt #: 84 total cpu time spent up to now is 104.8 secs Computing kpt #: 85 total cpu time spent up to now is 105.8 secs Computing kpt #: 86 total cpu time spent up to now is 106.9 secs Computing kpt #: 87 total cpu time spent up to now is 107.8 secs Computing kpt #: 88 total cpu time spent up to now is 108.9 secs Computing kpt #: 89 total cpu time spent up to now is 109.9 secs Computing kpt #: 90 total cpu time spent up to now is 110.8 secs Computing kpt #: 91 total cpu time spent up to now is 111.7 secs Computing kpt #: 92 total cpu time spent up to now is 112.7 secs Computing kpt #: 93 total cpu time spent up to now is 113.6 secs Computing kpt #: 94 total cpu time spent up to now is 114.5 secs Computing kpt #: 95 total cpu time spent up to now is 115.3 secs Computing kpt #: 96 total cpu time spent up to now is 116.1 secs Computing kpt #: 97 total cpu time spent up to now is 117.0 secs Computing kpt #: 98 total cpu time spent up to now is 117.8 secs Computing kpt #: 99 total cpu time spent up to now is 118.8 secs Computing kpt #: 100 total cpu time spent up to now is 119.6 secs Computing kpt #: 101 total cpu time spent up to now is 120.5 secs Computing kpt #: 102 total cpu time spent up to now is 122.8 secs Computing kpt #: 103 total cpu time spent up to now is 123.8 secs Computing kpt #: 104 total cpu time spent up to now is 124.8 secs Computing kpt #: 105 total cpu time spent up to now is 125.8 secs Computing kpt #: 106 total cpu time spent up to now is 126.7 secs Computing kpt #: 107 total cpu time spent up to now is 127.7 secs Computing kpt #: 108 total cpu time spent up to now is 128.8 secs Computing kpt #: 109 total cpu time spent up to now is 130.0 secs Computing kpt #: 110 total cpu time spent up to now is 131.6 secs Computing kpt #: 111 total cpu time spent up to now is 133.0 secs Computing kpt #: 112 total cpu time spent up to now is 134.5 secs Computing kpt #: 113 total cpu time spent up to now is 135.7 secs Computing kpt #: 114 total cpu time spent up to now is 136.8 secs Computing kpt #: 115 total cpu time spent up to now is 137.9 secs Computing kpt #: 116 total cpu time spent up to now is 138.8 secs Computing kpt #: 117 total cpu time spent up to now is 139.8 secs Computing kpt #: 118 total cpu time spent up to now is 140.8 secs Computing kpt #: 119 total cpu time spent up to now is 141.8 secs Computing kpt #: 120 total cpu time spent up to now is 143.0 secs Computing kpt #: 121 total cpu time spent up to now is 144.0 secs Computing kpt #: 122 total cpu time spent up to now is 145.1 secs Computing kpt #: 123 total cpu time spent up to now is 146.2 secs Computing kpt #: 124 total cpu time spent up to now is 147.3 secs Computing kpt #: 125 total cpu time spent up to now is 148.3 secs Computing kpt #: 126 total cpu time spent up to now is 149.7 secs Computing kpt #: 127 total cpu time spent up to now is 150.7 secs Computing kpt #: 128 total cpu time spent up to now is 151.6 secs Computing kpt #: 129 total cpu time spent up to now is 152.5 secs Computing kpt #: 130 total cpu time spent up to now is 153.3 secs Computing kpt #: 131 total cpu time spent up to now is 154.2 secs Computing kpt #: 132 total cpu time spent up to now is 155.3 secs Computing kpt #: 133 total cpu time spent up to now is 156.5 secs Computing kpt #: 134 total cpu time spent up to now is 157.4 secs Computing kpt #: 135 total cpu time spent up to now is 158.3 secs Computing kpt #: 136 total cpu time spent up to now is 159.1 secs Computing kpt #: 137 total cpu time spent up to now is 160.1 secs Computing kpt #: 138 total cpu time spent up to now is 161.0 secs Computing kpt #: 139 total cpu time spent up to now is 161.8 secs Computing kpt #: 140 total cpu time spent up to now is 162.7 secs Computing kpt #: 141 total cpu time spent up to now is 163.5 secs Computing kpt #: 142 total cpu time spent up to now is 164.3 secs Computing kpt #: 143 total cpu time spent up to now is 165.1 secs Computing kpt #: 144 total cpu time spent up to now is 165.9 secs Computing kpt #: 145 total cpu time spent up to now is 167.0 secs Computing kpt #: 146 total cpu time spent up to now is 169.0 secs Computing kpt #: 147 total cpu time spent up to now is 171.0 secs Computing kpt #: 148 total cpu time spent up to now is 171.9 secs Computing kpt #: 149 total cpu time spent up to now is 172.7 secs Computing kpt #: 150 total cpu time spent up to now is 173.5 secs Computing kpt #: 151 total cpu time spent up to now is 174.3 secs Computing kpt #: 152 total cpu time spent up to now is 175.0 secs Computing kpt #: 153 total cpu time spent up to now is 175.8 secs Computing kpt #: 154 total cpu time spent up to now is 176.6 secs Computing kpt #: 155 total cpu time spent up to now is 177.3 secs Computing kpt #: 156 total cpu time spent up to now is 178.1 secs Computing kpt #: 157 total cpu time spent up to now is 178.9 secs Computing kpt #: 158 total cpu time spent up to now is 179.7 secs Computing kpt #: 159 total cpu time spent up to now is 180.4 secs Computing kpt #: 160 total cpu time spent up to now is 181.1 secs Computing kpt #: 161 total cpu time spent up to now is 181.8 secs Computing kpt #: 162 total cpu time spent up to now is 182.6 secs Computing kpt #: 163 total cpu time spent up to now is 183.3 secs Computing kpt #: 164 total cpu time spent up to now is 184.2 secs Computing kpt #: 165 total cpu time spent up to now is 184.9 secs Computing kpt #: 166 total cpu time spent up to now is 185.6 secs Computing kpt #: 167 total cpu time spent up to now is 186.3 secs Computing kpt #: 168 total cpu time spent up to now is 187.0 secs Computing kpt #: 169 total cpu time spent up to now is 187.6 secs Computing kpt #: 170 total cpu time spent up to now is 188.3 secs Computing kpt #: 171 total cpu time spent up to now is 189.0 secs Computing kpt #: 172 total cpu time spent up to now is 189.7 secs Computing kpt #: 173 total cpu time spent up to now is 190.4 secs Computing kpt #: 174 total cpu time spent up to now is 191.7 secs Computing kpt #: 175 total cpu time spent up to now is 193.5 secs Computing kpt #: 176 total cpu time spent up to now is 195.2 secs Computing kpt #: 177 total cpu time spent up to now is 196.0 secs Computing kpt #: 178 total cpu time spent up to now is 196.7 secs Computing kpt #: 179 total cpu time spent up to now is 197.6 secs Computing kpt #: 180 total cpu time spent up to now is 198.4 secs Computing kpt #: 181 total cpu time spent up to now is 199.4 secs Computing kpt #: 182 total cpu time spent up to now is 200.1 secs Computing kpt #: 183 total cpu time spent up to now is 200.9 secs Computing kpt #: 184 total cpu time spent up to now is 201.9 secs Computing kpt #: 185 total cpu time spent up to now is 202.8 secs Computing kpt #: 186 total cpu time spent up to now is 203.7 secs Computing kpt #: 187 total cpu time spent up to now is 204.6 secs Computing kpt #: 188 total cpu time spent up to now is 205.5 secs Computing kpt #: 189 total cpu time spent up to now is 206.3 secs Computing kpt #: 190 total cpu time spent up to now is 207.1 secs Computing kpt #: 191 total cpu time spent up to now is 207.9 secs Computing kpt #: 192 total cpu time spent up to now is 208.8 secs Computing kpt #: 193 total cpu time spent up to now is 209.7 secs Computing kpt #: 194 total cpu time spent up to now is 210.6 secs Computing kpt #: 195 total cpu time spent up to now is 211.8 secs Computing kpt #: 196 total cpu time spent up to now is 214.0 secs Computing kpt #: 197 total cpu time spent up to now is 216.3 secs Computing kpt #: 198 total cpu time spent up to now is 217.3 secs Computing kpt #: 199 total cpu time spent up to now is 218.2 secs Computing kpt #: 200 total cpu time spent up to now is 219.1 secs Computing kpt #: 201 total cpu time spent up to now is 220.1 secs Computing kpt #: 202 total cpu time spent up to now is 221.0 secs Computing kpt #: 203 total cpu time spent up to now is 221.9 secs Computing kpt #: 204 total cpu time spent up to now is 222.7 secs Computing kpt #: 205 total cpu time spent up to now is 223.7 secs Computing kpt #: 206 total cpu time spent up to now is 224.5 secs Computing kpt #: 207 total cpu time spent up to now is 225.3 secs Computing kpt #: 208 total cpu time spent up to now is 226.2 secs Computing kpt #: 209 total cpu time spent up to now is 227.2 secs Computing kpt #: 210 total cpu time spent up to now is 228.1 secs Computing kpt #: 211 total cpu time spent up to now is 229.1 secs Computing kpt #: 212 total cpu time spent up to now is 230.0 secs Computing kpt #: 213 total cpu time spent up to now is 230.9 secs Computing kpt #: 214 total cpu time spent up to now is 231.8 secs Computing kpt #: 215 total cpu time spent up to now is 232.7 secs Computing kpt #: 216 total cpu time spent up to now is 234.4 secs Computing kpt #: 217 total cpu time spent up to now is 236.5 secs Computing kpt #: 218 total cpu time spent up to now is 238.6 secs Computing kpt #: 219 total cpu time spent up to now is 239.5 secs Computing kpt #: 220 total cpu time spent up to now is 240.4 secs Computing kpt #: 221 total cpu time spent up to now is 241.2 secs Computing kpt #: 222 total cpu time spent up to now is 242.0 secs Computing kpt #: 223 total cpu time spent up to now is 242.9 secs Computing kpt #: 224 total cpu time spent up to now is 243.9 secs Computing kpt #: 225 total cpu time spent up to now is 244.9 secs Computing kpt #: 226 total cpu time spent up to now is 246.0 secs Computing kpt #: 227 total cpu time spent up to now is 247.0 secs Computing kpt #: 228 total cpu time spent up to now is 248.0 secs Computing kpt #: 229 total cpu time spent up to now is 249.1 secs Computing kpt #: 230 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 251.2 secs Computing kpt #: 231 total cpu time spent up to now is 252.5 secs Computing kpt #: 232 total cpu time spent up to now is 253.5 secs Computing kpt #: 233 total cpu time spent up to now is 254.5 secs Computing kpt #: 234 total cpu time spent up to now is 255.3 secs Computing kpt #: 235 total cpu time spent up to now is 256.2 secs Computing kpt #: 236 total cpu time spent up to now is 257.0 secs Computing kpt #: 237 total cpu time spent up to now is 257.8 secs Computing kpt #: 238 total cpu time spent up to now is 259.8 secs Computing kpt #: 239 total cpu time spent up to now is 261.9 secs Computing kpt #: 240 total cpu time spent up to now is 263.7 secs Computing kpt #: 241 total cpu time spent up to now is 264.5 secs Computing kpt #: 242 total cpu time spent up to now is 265.3 secs Computing kpt #: 243 total cpu time spent up to now is 266.2 secs Computing kpt #: 244 total cpu time spent up to now is 267.0 secs Computing kpt #: 245 total cpu time spent up to now is 267.9 secs Computing kpt #: 246 total cpu time spent up to now is 268.7 secs Computing kpt #: 247 total cpu time spent up to now is 269.6 secs Computing kpt #: 248 total cpu time spent up to now is 270.5 secs Computing kpt #: 249 total cpu time spent up to now is 271.3 secs Computing kpt #: 250 total cpu time spent up to now is 272.1 secs Computing kpt #: 251 total cpu time spent up to now is 273.0 secs Computing kpt #: 252 total cpu time spent up to now is 273.9 secs Computing kpt #: 253 total cpu time spent up to now is 274.8 secs Computing kpt #: 254 total cpu time spent up to now is 275.7 secs Computing kpt #: 255 total cpu time spent up to now is 276.6 secs Computing kpt #: 256 total cpu time spent up to now is 277.4 secs Computing kpt #: 257 total cpu time spent up to now is 278.2 secs Computing kpt #: 258 total cpu time spent up to now is 279.5 secs Computing kpt #: 259 total cpu time spent up to now is 281.7 secs Computing kpt #: 260 total cpu time spent up to now is 283.6 secs Computing kpt #: 261 total cpu time spent up to now is 284.4 secs Computing kpt #: 262 total cpu time spent up to now is 285.2 secs Computing kpt #: 263 total cpu time spent up to now is 286.1 secs Computing kpt #: 264 total cpu time spent up to now is 286.8 secs Computing kpt #: 265 total cpu time spent up to now is 287.6 secs Computing kpt #: 266 total cpu time spent up to now is 288.3 secs Computing kpt #: 267 total cpu time spent up to now is 289.0 secs Computing kpt #: 268 total cpu time spent up to now is 289.6 secs Computing kpt #: 269 total cpu time spent up to now is 290.3 secs Computing kpt #: 270 total cpu time spent up to now is 291.0 secs Computing kpt #: 271 total cpu time spent up to now is 291.7 secs Computing kpt #: 272 total cpu time spent up to now is 292.4 secs Computing kpt #: 273 total cpu time spent up to now is 293.1 secs Computing kpt #: 274 total cpu time spent up to now is 293.9 secs Computing kpt #: 275 total cpu time spent up to now is 294.6 secs Computing kpt #: 276 total cpu time spent up to now is 295.4 secs Computing kpt #: 277 total cpu time spent up to now is 296.1 secs Computing kpt #: 278 total cpu time spent up to now is 296.7 secs Computing kpt #: 279 total cpu time spent up to now is 297.4 secs Computing kpt #: 280 total cpu time spent up to now is 298.1 secs Computing kpt #: 281 total cpu time spent up to now is 299.7 secs Computing kpt #: 282 total cpu time spent up to now is 301.3 secs Computing kpt #: 283 total cpu time spent up to now is 302.9 secs Computing kpt #: 284 total cpu time spent up to now is 303.6 secs Computing kpt #: 285 total cpu time spent up to now is 304.3 secs Computing kpt #: 286 total cpu time spent up to now is 305.0 secs Computing kpt #: 287 total cpu time spent up to now is 305.7 secs Computing kpt #: 288 total cpu time spent up to now is 306.3 secs Computing kpt #: 289 total cpu time spent up to now is 307.2 secs Computing kpt #: 290 total cpu time spent up to now is 307.9 secs Computing kpt #: 291 total cpu time spent up to now is 308.6 secs Computing kpt #: 292 total cpu time spent up to now is 309.3 secs Computing kpt #: 293 total cpu time spent up to now is 310.0 secs Computing kpt #: 294 total cpu time spent up to now is 311.3 secs Computing kpt #: 295 total cpu time spent up to now is 312.1 secs Computing kpt #: 296 total cpu time spent up to now is 312.8 secs Computing kpt #: 297 total cpu time spent up to now is 313.5 secs Computing kpt #: 298 total cpu time spent up to now is 314.2 secs Computing kpt #: 299 total cpu time spent up to now is 314.9 secs Computing kpt #: 300 total cpu time spent up to now is 316.0 secs Computing kpt #: 301 total cpu time spent up to now is 317.7 secs Computing kpt #: 302 total cpu time spent up to now is 319.5 secs Computing kpt #: 303 total cpu time spent up to now is 320.7 secs Computing kpt #: 304 total cpu time spent up to now is 321.4 secs Computing kpt #: 305 total cpu time spent up to now is 322.1 secs Computing kpt #: 306 total cpu time spent up to now is 322.8 secs Computing kpt #: 307 total cpu time spent up to now is 323.6 secs Computing kpt #: 308 total cpu time spent up to now is 324.5 secs Computing kpt #: 309 total cpu time spent up to now is 325.2 secs Computing kpt #: 310 total cpu time spent up to now is 325.9 secs Computing kpt #: 311 total cpu time spent up to now is 326.5 secs Computing kpt #: 312 total cpu time spent up to now is 327.3 secs Computing kpt #: 313 total cpu time spent up to now is 328.0 secs Computing kpt #: 314 total cpu time spent up to now is 328.8 secs Computing kpt #: 315 total cpu time spent up to now is 329.5 secs Computing kpt #: 316 total cpu time spent up to now is 330.3 secs Computing kpt #: 317 total cpu time spent up to now is 331.0 secs Computing kpt #: 318 total cpu time spent up to now is 331.7 secs Computing kpt #: 319 total cpu time spent up to now is 332.5 secs Computing kpt #: 320 total cpu time spent up to now is 333.2 secs Computing kpt #: 321 total cpu time spent up to now is 333.9 secs Computing kpt #: 322 total cpu time spent up to now is 334.7 secs Computing kpt #: 323 total cpu time spent up to now is 335.5 secs Computing kpt #: 324 total cpu time spent up to now is 336.4 secs Computing kpt #: 325 total cpu time spent up to now is 338.1 secs Computing kpt #: 326 total cpu time spent up to now is 339.9 secs Computing kpt #: 327 total cpu time spent up to now is 341.3 secs Computing kpt #: 328 total cpu time spent up to now is 342.0 secs Computing kpt #: 329 total cpu time spent up to now is 342.7 secs Computing kpt #: 330 total cpu time spent up to now is 343.4 secs Computing kpt #: 331 total cpu time spent up to now is 344.1 secs Computing kpt #: 332 total cpu time spent up to now is 344.9 secs Computing kpt #: 333 total cpu time spent up to now is 345.6 secs Computing kpt #: 334 total cpu time spent up to now is 346.4 secs Computing kpt #: 335 total cpu time spent up to now is 347.1 secs Computing kpt #: 336 total cpu time spent up to now is 347.9 secs Computing kpt #: 337 total cpu time spent up to now is 348.6 secs Computing kpt #: 338 total cpu time spent up to now is 349.3 secs Computing kpt #: 339 total cpu time spent up to now is 350.0 secs Computing kpt #: 340 total cpu time spent up to now is 350.6 secs Computing kpt #: 341 total cpu time spent up to now is 351.3 secs Computing kpt #: 342 total cpu time spent up to now is 352.0 secs Computing kpt #: 343 total cpu time spent up to now is 352.8 secs Computing kpt #: 344 total cpu time spent up to now is 353.4 secs Computing kpt #: 345 total cpu time spent up to now is 354.1 secs Computing kpt #: 346 total cpu time spent up to now is 354.7 secs Computing kpt #: 347 total cpu time spent up to now is 355.4 secs Computing kpt #: 348 total cpu time spent up to now is 356.0 secs Computing kpt #: 349 total cpu time spent up to now is 356.7 secs Computing kpt #: 350 total cpu time spent up to now is 358.0 secs ethr = 3.13E-11, avg # of iterations = 32.8 total cpu time spent up to now is 358.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2249 PWs) bands (ev): -12.6804 -12.6804 -10.9897 -10.9897 -9.1341 -9.1341 -8.8566 -8.8566 -3.0848 -3.0848 -3.0305 -3.0305 -1.2410 -1.2410 -1.0218 -1.0218 -0.8074 -0.8074 2.5153 2.5153 3.5734 3.5734 3.5864 3.5864 3.7956 3.7956 4.1632 4.1632 4.3200 4.3200 5.8436 5.8436 9.3833 9.3833 11.6047 11.6047 11.7339 11.7339 11.9807 11.9807 k = 0.0000 0.0000 0.0156 ( 2247 PWs) bands (ev): -12.6798 -12.6798 -10.9906 -10.9906 -9.1339 -9.1339 -8.8567 -8.8567 -3.0867 -3.0867 -3.0325 -3.0325 -1.2401 -1.2401 -1.0191 -1.0191 -0.8033 -0.8033 2.5152 2.5152 3.5715 3.5715 3.5840 3.5840 3.7896 3.7896 4.1620 4.1620 4.3266 4.3266 5.8433 5.8433 9.3831 9.3831 11.6082 11.6082 11.7353 11.7353 11.9799 11.9799 k = 0.0000 0.0000 0.0312 ( 2247 PWs) bands (ev): -12.6778 -12.6778 -10.9936 -10.9936 -9.1331 -9.1331 -8.8569 -8.8569 -3.0925 -3.0925 -3.0385 -3.0385 -1.2372 -1.2372 -1.0110 -1.0110 -0.7909 -0.7909 2.5147 2.5147 3.5651 3.5651 3.5773 3.5773 3.7724 3.7724 4.1583 4.1583 4.3453 4.3453 5.8429 5.8429 9.3827 9.3827 11.6188 11.6188 11.7391 11.7391 11.9777 11.9777 k = 0.0000 0.0000 0.0468 ( 2247 PWs) bands (ev): -12.6745 -12.6745 -10.9985 -10.9985 -9.1319 -9.1319 -8.8571 -8.8571 -3.1020 -3.1020 -3.0484 -3.0484 -1.2322 -1.2322 -0.9975 -0.9975 -0.7708 -0.7708 2.5139 2.5139 3.5527 3.5527 3.5678 3.5678 3.7461 3.7461 4.1520 4.1520 4.3742 4.3742 5.8421 5.8421 9.3822 9.3822 11.6364 11.6364 11.7447 11.7447 11.9747 11.9747 k = 0.0000 0.0000 0.0624 ( 2254 PWs) bands (ev): -12.6699 -12.6699 -11.0054 -11.0054 -9.1301 -9.1301 -8.8575 -8.8575 -3.1150 -3.1150 -3.0620 -3.0620 -1.2247 -1.2247 -0.9790 -0.9790 -0.7436 -0.7436 2.5128 2.5128 3.5336 3.5336 3.5564 3.5564 3.7132 3.7132 4.1432 4.1432 4.4106 4.4106 5.8409 5.8409 9.3816 9.3816 11.6608 11.6608 11.7512 11.7512 11.9720 11.9720 k = 0.0000 0.0000 0.0780 ( 2256 PWs) bands (ev): -12.6639 -12.6639 -11.0142 -11.0142 -9.1279 -9.1279 -8.8579 -8.8579 -3.1313 -3.1313 -3.0791 -3.0791 -1.2142 -1.2142 -0.9556 -0.9556 -0.7098 -0.7098 2.5114 2.5114 3.5084 3.5084 3.5430 3.5430 3.6759 3.6759 4.1318 4.1318 4.4524 4.4524 5.8394 5.8394 9.3811 9.3811 11.6918 11.6918 11.7567 11.7567 11.9716 11.9716 k = 0.0000 0.0000 0.0935 ( 2250 PWs) bands (ev): -12.6567 -12.6567 -11.0249 -11.0249 -9.1252 -9.1252 -8.8584 -8.8584 -3.1506 -3.1506 -3.0993 -3.0993 -1.2005 -1.2005 -0.9277 -0.9277 -0.6702 -0.6702 2.5096 2.5096 3.4777 3.4777 3.5270 3.5270 3.6359 3.6359 4.1178 4.1178 4.4981 4.4981 5.8377 5.8377 9.3810 9.3810 11.7292 11.7292 11.7589 11.7589 11.9756 11.9756 k = 0.0000 0.0000 0.1091 ( 2245 PWs) bands (ev): -12.6481 -12.6481 -11.0375 -11.0375 -9.1220 -9.1220 -8.8591 -8.8591 -3.1725 -3.1725 -3.1224 -3.1224 -1.1831 -1.1831 -0.8955 -0.8955 -0.6254 -0.6254 2.5075 2.5075 3.4418 3.4418 3.5081 3.5081 3.5946 3.5946 4.1011 4.1011 4.5464 4.5464 5.8356 5.8356 9.3816 9.3816 11.7556 11.7556 11.7727 11.7727 11.9864 11.9864 k = 0.0000 0.0000 0.1247 ( 2247 PWs) bands (ev): -12.6383 -12.6383 -11.0519 -11.0519 -9.1184 -9.1184 -8.8598 -8.8598 -3.1968 -3.1968 -3.1480 -3.1480 -1.1620 -1.1620 -0.8596 -0.8596 -0.5762 -0.5762 2.5050 2.5050 3.4011 3.4011 3.4859 3.4859 3.5532 3.5532 4.0815 4.0815 4.5963 4.5963 5.8332 5.8332 9.3830 9.3830 11.7454 11.7454 11.8220 11.8220 12.0055 12.0055 k = 0.0000 0.0000 0.1403 ( 2248 PWs) bands (ev): -12.6272 -12.6272 -11.0681 -11.0681 -9.1144 -9.1144 -8.8605 -8.8605 -3.2231 -3.2231 -3.1759 -3.1759 -1.1370 -1.1370 -0.8201 -0.8201 -0.5231 -0.5231 2.5020 2.5020 3.3560 3.3560 3.4598 3.4598 3.5130 3.5130 4.0593 4.0593 4.6472 4.6472 5.8305 5.8305 9.3856 9.3856 11.7285 11.7285 11.8768 11.8768 12.0328 12.0328 k = 0.0000 0.0000 0.1559 ( 2252 PWs) bands (ev): -12.6148 -12.6148 -11.0860 -11.0860 -9.1099 -9.1099 -8.8614 -8.8614 -3.2510 -3.2510 -3.2056 -3.2056 -1.1080 -1.1080 -0.7775 -0.7775 -0.4666 -0.4666 2.4986 2.4986 3.3069 3.3069 3.4289 3.4289 3.4754 3.4754 4.0342 4.0342 4.6987 4.6987 5.8275 5.8275 9.3896 9.3896 11.7056 11.7056 11.9368 11.9368 12.0674 12.0674 k = 0.0000 0.0000 0.1715 ( 2255 PWs) bands (ev): -12.6011 -12.6011 -11.1056 -11.1056 -9.1050 -9.1050 -8.8624 -8.8624 -3.2803 -3.2803 -3.2368 -3.2368 -1.0752 -1.0752 -0.7321 -0.7321 -0.4072 -0.4072 2.4945 2.4945 3.2542 3.2542 3.3933 3.3933 3.4409 3.4409 4.0065 4.0065 4.7502 4.7502 5.8242 5.8242 9.3953 9.3953 11.6777 11.6777 12.0016 12.0016 12.1085 12.1085 k = 0.0000 0.0000 0.1871 ( 2258 PWs) bands (ev): -12.5863 -12.5863 -11.1268 -11.1268 -9.0998 -9.0998 -8.8634 -8.8634 -3.3105 -3.3105 -3.2691 -3.2691 -1.0384 -1.0384 -0.6844 -0.6844 -0.3454 -0.3454 2.4897 2.4897 3.1983 3.1983 3.3547 3.3547 3.4081 3.4081 3.9761 3.9761 4.8014 4.8014 5.8205 5.8205 9.4029 9.4029 11.6459 11.6459 12.0709 12.0709 12.1550 12.1550 k = 0.0000 0.0000 0.2027 ( 2260 PWs) bands (ev): -12.5701 -12.5701 -11.1495 -11.1495 -9.0942 -9.0942 -8.8645 -8.8645 -3.3414 -3.3414 -3.3023 -3.3023 -0.9980 -0.9980 -0.6345 -0.6345 -0.2816 -0.2816 2.4839 2.4839 3.1397 3.1397 3.3146 3.3146 3.3758 3.3758 3.9430 3.9430 4.8521 4.8521 5.8166 5.8166 9.4127 9.4127 11.6106 11.6106 12.1443 12.1443 12.2063 12.2063 k = 0.0000 0.0000 0.2183 ( 2261 PWs) bands (ev): -12.5528 -12.5528 -11.1738 -11.1738 -9.0883 -9.0883 -8.8657 -8.8657 -3.3728 -3.3728 -3.3359 -3.3359 -0.9540 -0.9540 -0.5830 -0.5830 -0.2160 -0.2160 2.4768 2.4768 3.0792 3.0792 3.2744 3.2744 3.3432 3.3432 3.9075 3.9075 4.9021 4.9021 5.8124 5.8124 9.4249 9.4249 11.5724 11.5724 12.2215 12.2215 12.2619 12.2619 k = 0.0000 0.0000 0.2339 ( 2261 PWs) bands (ev): -12.5343 -12.5343 -11.1995 -11.1995 -9.0820 -9.0820 -8.8670 -8.8670 -3.4043 -3.4043 -3.3697 -3.3697 -0.9065 -0.9065 -0.5300 -0.5300 -0.1492 -0.1492 2.4679 2.4679 3.0175 3.0175 3.2345 3.2345 3.3098 3.3098 3.8695 3.8695 4.9511 4.9511 5.8079 5.8079 9.4396 9.4396 11.5317 11.5317 12.3022 12.3022 12.3213 12.3213 k = 0.0000 0.0000 0.2495 ( 2263 PWs) bands (ev): -12.5146 -12.5146 -11.2265 -11.2265 -9.0755 -9.0755 -8.8683 -8.8683 -3.4357 -3.4357 -3.4035 -3.4035 -0.8558 -0.8558 -0.4759 -0.4759 -0.0813 -0.0813 2.4564 2.4564 2.9556 2.9556 3.1954 3.1954 3.2757 3.2757 3.8292 3.8292 4.9990 4.9990 5.8031 5.8031 9.4570 9.4570 11.4888 11.4888 12.3841 12.3841 12.3860 12.3860 k = 0.0000 0.0000 0.2651 ( 2261 PWs) bands (ev): -12.4937 -12.4937 -11.2547 -11.2547 -9.0688 -9.0688 -8.8698 -8.8698 -3.4668 -3.4668 -3.4370 -3.4370 -0.8020 -0.8020 -0.4210 -0.4210 -0.0128 -0.0128 2.4413 2.4413 2.8949 2.8949 3.1573 3.1573 3.2411 3.2411 3.7868 3.7868 5.0456 5.0456 5.7980 5.7980 9.4773 9.4773 11.4439 11.4439 12.4501 12.4501 12.4724 12.4724 k = 0.0000 0.0000 0.2806 ( 2263 PWs) bands (ev): -12.4717 -12.4717 -11.2842 -11.2842 -9.0618 -9.0618 -8.8714 -8.8714 -3.4974 -3.4974 -3.4699 -3.4699 -0.7454 -0.7454 -0.3656 -0.3656 0.0561 0.0561 2.4211 2.4211 2.8373 2.8373 3.1203 3.1203 3.2060 3.2060 3.7424 3.7424 5.0907 5.0907 5.7926 5.7926 9.5004 9.5004 11.3971 11.3971 12.5188 12.5188 12.5611 12.5611 k = 0.0000 0.0000 0.2962 ( 2263 PWs) bands (ev): -12.4487 -12.4487 -11.3147 -11.3147 -9.0546 -9.0546 -8.8731 -8.8731 -3.5273 -3.5273 -3.5022 -3.5022 -0.6863 -0.6863 -0.3100 -0.3100 0.1250 0.1250 2.3939 2.3939 2.7849 2.7849 3.0846 3.0846 3.1708 3.1708 3.6963 3.6963 5.1343 5.1343 5.7869 5.7869 9.5266 9.5266 11.3485 11.3485 12.5899 12.5899 12.6518 12.6518 k = 0.0000 0.0000 0.3118 ( 2261 PWs) bands (ev): -12.4245 -12.4245 -11.3463 -11.3463 -9.0473 -9.0473 -8.8749 -8.8749 -3.5564 -3.5564 -3.5335 -3.5335 -0.6248 -0.6248 -0.2545 -0.2545 0.1938 0.1938 2.3578 2.3578 2.7399 2.7399 3.0502 3.0502 3.1356 3.1356 3.6485 3.6485 5.1763 5.1763 5.7808 5.7808 9.5558 9.5558 11.2985 11.2985 12.6632 12.6632 12.7439 12.7439 k = 0.0000 0.0000 0.3274 ( 2256 PWs) bands (ev): -12.3993 -12.3993 -11.3787 -11.3787 -9.0398 -9.0398 -8.8769 -8.8769 -3.5844 -3.5844 -3.5636 -3.5636 -0.5613 -0.5613 -0.1994 -0.1994 0.2621 0.2621 2.3116 2.3116 2.7038 2.7038 3.0173 3.0173 3.1007 3.1007 3.5994 3.5994 5.2166 5.2166 5.7744 5.7744 9.5881 9.5881 11.2469 11.2469 12.7382 12.7382 12.8371 12.8371 k = 0.0000 0.0000 0.3430 ( 2256 PWs) bands (ev): -12.3731 -12.3731 -11.4121 -11.4121 -9.0323 -9.0323 -8.8791 -8.8791 -3.6112 -3.6112 -3.5925 -3.5925 -0.4961 -0.4961 -0.1451 -0.1451 0.3296 0.3296 2.2556 2.2556 2.6765 2.6765 2.9860 2.9860 3.0665 3.0665 3.5492 3.5492 5.2552 5.2552 5.7677 5.7677 9.6233 9.6233 11.1939 11.1939 12.8146 12.8146 12.9307 12.9307 k = 0.0000 0.0000 0.3586 ( 2256 PWs) bands (ev): -12.3459 -12.3459 -11.4462 -11.4462 -9.0247 -9.0247 -8.8814 -8.8814 -3.6368 -3.6368 -3.6200 -3.6200 -0.4295 -0.4295 -0.0919 -0.0919 0.3961 0.3961 2.1911 2.1911 2.6572 2.6572 2.9563 2.9563 3.0332 3.0332 3.4981 3.4981 5.2920 5.2920 5.7605 5.7605 9.6614 9.6614 11.1397 11.1397 12.8920 12.8920 13.0240 13.0240 k = 0.0000 0.0000 0.3742 ( 2253 PWs) bands (ev): -12.3177 -12.3177 -11.4809 -11.4809 -9.0170 -9.0170 -8.8839 -8.8839 -3.6609 -3.6609 -3.6460 -3.6460 -0.3620 -0.3620 -0.0402 -0.0402 0.4614 0.4614 2.1201 2.1201 2.6441 2.6441 2.9284 2.9284 3.0013 3.0013 3.4464 3.4464 5.3270 5.3270 5.7530 5.7530 9.7024 9.7024 11.0842 11.0842 12.9700 12.9700 13.1165 13.1165 k = 0.0000 0.0000 0.3898 ( 2261 PWs) bands (ev): -12.2886 -12.2886 -11.5163 -11.5163 -9.0094 -9.0094 -8.8866 -8.8866 -3.6835 -3.6835 -3.6703 -3.6703 -0.2940 -0.2940 0.0096 0.0096 0.5252 0.5252 2.0444 2.0444 2.6357 2.6357 2.9024 2.9024 2.9710 2.9710 3.3944 3.3944 5.3601 5.3601 5.7450 5.7450 9.7461 9.7461 11.0276 11.0276 13.0482 13.0482 13.2072 13.2072 k = 0.0000 0.0000 0.4054 ( 2263 PWs) bands (ev): -12.2587 -12.2587 -11.5521 -11.5521 -9.0018 -9.0018 -8.8896 -8.8896 -3.7044 -3.7044 -3.6929 -3.6929 -0.2259 -0.2259 0.0570 0.0570 0.5875 0.5875 1.9655 1.9655 2.6311 2.6311 2.8782 2.8782 2.9429 2.9429 3.3425 3.3425 5.3915 5.3915 5.7366 5.7366 9.7925 9.7925 10.9699 10.9699 13.1260 13.1260 13.2952 13.2952 k = 0.0000 0.0000 0.4210 ( 2266 PWs) bands (ev): -12.2279 -12.2279 -11.5884 -11.5884 -8.9942 -8.9942 -8.8927 -8.8927 -3.7236 -3.7236 -3.7136 -3.7136 -0.1586 -0.1586 0.1016 0.1016 0.6483 0.6483 1.8844 1.8844 2.6294 2.6294 2.8558 2.8558 2.9176 2.9176 3.2910 3.2910 5.4211 5.4211 5.7277 5.7277 9.8412 9.8412 10.9113 10.9113 13.2028 13.2028 13.3793 13.3793 k = 0.0000 0.0000 0.4366 ( 2276 PWs) bands (ev): -12.1963 -12.1963 -11.6250 -11.6250 -8.9868 -8.9868 -8.8962 -8.8962 -3.7409 -3.7409 -3.7324 -3.7324 -0.0926 -0.0926 0.1428 0.1428 0.7075 0.7075 1.8021 1.8021 2.6300 2.6300 2.8347 2.8347 2.8960 2.8960 3.2402 3.2402 5.4489 5.4489 5.7183 5.7183 9.8922 9.8922 10.8518 10.8518 13.2781 13.2781 13.4580 13.4580 k = 0.0000 0.0000 0.4521 ( 2272 PWs) bands (ev): -12.1639 -12.1639 -11.6618 -11.6618 -8.9794 -8.9794 -8.8998 -8.8998 -3.7563 -3.7563 -3.7491 -3.7491 -0.0287 -0.0287 0.1801 0.1801 0.7654 0.7654 1.7195 1.7195 2.6326 2.6326 2.8147 2.8147 2.8788 2.8788 3.1908 3.1908 5.4751 5.4751 5.7083 5.7083 9.9453 9.9453 10.7915 10.7915 13.3512 13.3512 13.5298 13.5298 k = 0.0000 0.0000 0.4677 ( 2265 PWs) bands (ev): -12.1309 -12.1309 -11.6989 -11.6989 -8.9722 -8.9722 -8.9038 -8.9038 -3.7698 -3.7698 -3.7638 -3.7638 0.0320 0.0320 0.2127 0.2127 0.8224 0.8224 1.6373 1.6373 2.6370 2.6370 2.7953 2.7953 2.8670 2.8670 3.1430 3.1430 5.4998 5.4998 5.6978 5.6978 10.0003 10.0003 10.7305 10.7305 13.4211 13.4211 13.5930 13.5930 k = 0.0000 0.0000 0.4833 ( 2269 PWs) bands (ev): -12.0972 -12.0972 -11.7360 -11.7360 -8.9652 -8.9652 -8.9080 -8.9080 -3.7813 -3.7813 -3.7764 -3.7764 0.0885 0.0885 0.2399 0.2399 0.8789 0.8789 1.5558 1.5558 2.6430 2.6430 2.7764 2.7764 2.8609 2.8609 3.0973 3.0973 5.5229 5.5229 5.6865 5.6865 10.0570 10.0570 10.6689 10.6689 13.4870 13.4870 13.6457 13.6457 k = 0.0000 0.0000 0.4989 ( 2265 PWs) bands (ev): -12.0628 -12.0628 -11.7731 -11.7731 -8.9584 -8.9584 -8.9125 -8.9125 -3.7906 -3.7906 -3.7868 -3.7868 0.1396 0.1396 0.2610 0.2610 0.9358 0.9358 1.4760 1.4760 2.6505 2.6505 2.7580 2.7580 2.8609 2.8609 3.0543 3.0543 5.5445 5.5445 5.6745 5.6745 10.1151 10.1151 10.6069 10.6069 13.5477 13.5477 13.6864 13.6864 k = 0.0000 0.0000 0.5145 ( 2267 PWs) bands (ev): -12.0280 -12.0280 -11.8102 -11.8102 -8.9517 -8.9517 -8.9173 -8.9173 -3.7979 -3.7979 -3.7950 -3.7950 0.1841 0.1841 0.2752 0.2752 0.9937 0.9937 1.3982 1.3982 2.6594 2.6594 2.7404 2.7404 2.8668 2.8668 3.0144 3.0144 5.5648 5.5648 5.6618 5.6618 10.1744 10.1744 10.5446 10.5446 13.6019 13.6019 13.7138 13.7138 k = 0.0000 0.0000 0.5301 ( 2265 PWs) bands (ev): -11.9926 -11.9926 -11.8472 -11.8472 -8.9453 -8.9453 -8.9223 -8.9223 -3.8029 -3.8029 -3.8011 -3.8011 0.2211 0.2211 0.2817 0.2817 1.0536 1.0536 1.3230 1.3230 2.6696 2.6696 2.7238 2.7238 2.8785 2.8785 2.9781 2.9781 5.5838 5.5838 5.6482 5.6482 10.2347 10.2347 10.4822 10.4822 13.6485 13.6485 13.7271 13.7271 k = 0.0000 0.0000 0.5457 ( 2265 PWs) bands (ev): -11.9567 -11.9567 -11.8840 -11.8840 -8.9392 -8.9392 -8.9277 -8.9277 -3.8058 -3.8058 -3.8049 -3.8049 0.2497 0.2497 0.2799 0.2799 1.1161 1.1161 1.2507 1.2507 2.6813 2.6813 2.7084 2.7084 2.8958 2.8958 2.9459 2.9459 5.6015 5.6015 5.6336 5.6336 10.2959 10.2959 10.4198 10.4198 13.6857 13.6857 13.7263 13.7263 k = 0.0000 0.0000 0.5613 ( 2268 PWs) bands (ev): -11.9205 -11.9205 -11.9205 -11.9205 -8.9333 -8.9333 -8.9333 -8.9333 -3.8064 -3.8064 -3.8064 -3.8064 0.2693 0.2693 0.2693 0.2693 1.1818 1.1818 1.1818 1.1818 2.6942 2.6942 2.6942 2.6942 2.9184 2.9184 2.9184 2.9184 5.6181 5.6181 5.6181 5.6181 10.3577 10.3577 10.3577 10.3577 13.7121 13.7121 13.7121 13.7121 k = 0.0000 0.0000 0.5613 ( 2268 PWs) bands (ev): -11.9205 -11.9205 -11.9205 -11.9205 -8.9333 -8.9333 -8.9333 -8.9333 -3.8064 -3.8064 -3.8064 -3.8064 0.2693 0.2693 0.2693 0.2693 1.1818 1.1818 1.1818 1.1818 2.6942 2.6942 2.6942 2.6942 2.9184 2.9184 2.9184 2.9184 5.6181 5.6181 5.6181 5.6181 10.3577 10.3577 10.3577 10.3577 13.7121 13.7121 13.7121 13.7121 k = 0.0000 0.0154 0.5613 ( 2271 PWs) bands (ev): -11.9262 -11.9262 -11.9140 -11.9140 -8.9378 -8.9378 -8.9285 -8.9285 -3.8075 -3.8075 -3.8047 -3.8047 0.2644 0.2644 0.2720 0.2720 1.1570 1.1570 1.2052 1.2052 2.6027 2.6027 2.7835 2.7835 2.9059 2.9059 2.9325 2.9325 5.5927 5.5927 5.6382 5.6382 10.3294 10.3294 10.3901 10.3901 13.6714 13.6714 13.7569 13.7569 k = 0.0000 0.0307 0.5613 ( 2273 PWs) bands (ev): -11.9310 -11.9310 -11.9066 -11.9066 -8.9418 -8.9418 -8.9232 -8.9232 -3.8077 -3.8077 -3.8021 -3.8021 0.2573 0.2573 0.2726 0.2726 1.1313 1.1313 1.2268 1.2268 2.5106 2.5106 2.8628 2.8628 2.9025 2.9025 2.9479 2.9479 5.5623 5.5623 5.6532 5.6532 10.3052 10.3052 10.4267 10.4267 13.6350 13.6350 13.8054 13.8054 k = 0.0000 0.0461 0.5613 ( 2268 PWs) bands (ev): -11.9349 -11.9349 -11.8983 -11.8983 -8.9455 -8.9455 -8.9176 -8.9176 -3.8073 -3.8073 -3.7988 -3.7988 0.2480 0.2480 0.2711 0.2711 1.1048 1.1048 1.2459 1.2459 2.4192 2.4192 2.8748 2.8748 2.9614 2.9614 2.9676 2.9676 5.5267 5.5267 5.6632 5.6632 10.2850 10.2850 10.4672 10.4672 13.6032 13.6032 13.8571 13.8571 k = 0.0000 0.0614 0.5613 ( 2268 PWs) bands (ev): -11.9380 -11.9380 -11.8891 -11.8891 -8.9488 -8.9488 -8.9115 -8.9115 -3.8060 -3.8060 -3.7947 -3.7947 0.2365 0.2365 0.2675 0.2675 1.0778 1.0778 1.2614 1.2614 2.3297 2.3297 2.8661 2.8661 2.9809 2.9809 3.0461 3.0461 5.4862 5.4862 5.6684 5.6684 10.2687 10.2687 10.5115 10.5115 13.5765 13.5765 13.9118 13.9118 k = 0.0000 0.0768 0.5613 ( 2272 PWs) bands (ev): -11.9403 -11.9403 -11.8790 -11.8790 -8.9517 -8.9517 -8.9051 -8.9051 -3.8041 -3.8041 -3.7898 -3.7898 0.2228 0.2228 0.2620 0.2620 1.0504 1.0504 1.2719 1.2719 2.2441 2.2441 2.8572 2.8572 2.9987 2.9987 3.1244 3.1244 5.4409 5.4409 5.6691 5.6691 10.2558 10.2558 10.5593 10.5593 13.5550 13.5550 13.9689 13.9689 k = 0.0000 0.0922 0.5613 ( 2274 PWs) bands (ev): -11.9418 -11.9418 -11.8681 -11.8681 -8.9543 -8.9543 -8.8983 -8.8983 -3.8014 -3.8014 -3.7843 -3.7843 0.2070 0.2070 0.2546 0.2546 1.0226 1.0226 1.2756 1.2756 2.1644 2.1644 2.8490 2.8490 3.0173 3.0173 3.1990 3.1990 5.3911 5.3911 5.6657 5.6657 10.2461 10.2461 10.6103 10.6103 13.5389 13.5389 14.0281 14.0281 k = 0.0000 0.1075 0.5613 ( 2274 PWs) bands (ev): -11.9426 -11.9426 -11.8562 -11.8562 -8.9565 -8.9565 -8.8911 -8.8911 -3.7980 -3.7980 -3.7779 -3.7779 0.1891 0.1891 0.2454 0.2454 0.9944 0.9944 1.2701 1.2701 2.0933 2.0933 2.8420 2.8420 3.0364 3.0364 3.2691 3.2691 5.3371 5.3371 5.6585 5.6585 10.2392 10.2392 10.6640 10.6640 13.5284 13.5284 14.0888 14.0888 k = 0.0000 0.1229 0.5613 ( 2272 PWs) bands (ev): -11.9426 -11.9426 -11.8434 -11.8434 -8.9584 -8.9584 -8.8836 -8.8836 -3.7938 -3.7938 -3.7709 -3.7709 0.1692 0.1692 0.2343 0.2343 0.9658 0.9658 1.2529 1.2529 2.0337 2.0337 2.8360 2.8360 3.0563 3.0563 3.3343 3.3343 5.2793 5.2793 5.6481 5.6481 10.2347 10.2347 10.7200 10.7200 13.5237 13.5237 14.1508 14.1508 k = 0.0000 0.1382 0.5613 ( 2268 PWs) bands (ev): -11.9418 -11.9418 -11.8297 -11.8297 -8.9599 -8.9599 -8.8757 -8.8757 -3.7890 -3.7890 -3.7631 -3.7631 0.1475 0.1475 0.2216 0.2216 0.9368 0.9368 1.2218 1.2218 1.9880 1.9880 2.8313 2.8313 3.0766 3.0766 3.3941 3.3941 5.2181 5.2181 5.6348 5.6348 10.2321 10.2321 10.7778 10.7778 13.5249 13.5249 14.2134 14.2134 k = 0.0000 0.1536 0.5613 ( 2264 PWs) bands (ev): -11.9404 -11.9404 -11.8152 -11.8152 -8.9612 -8.9612 -8.8674 -8.8674 -3.7835 -3.7835 -3.7546 -3.7546 0.1239 0.1239 0.2071 0.2071 0.9074 0.9074 1.1761 1.1761 1.9572 1.9572 2.8278 2.8278 3.0974 3.0974 3.4482 3.4482 5.1538 5.1538 5.6191 5.6191 10.2309 10.2309 10.8370 10.8370 13.5319 13.5319 14.2762 14.2762 k = 0.0000 0.1690 0.5613 ( 2267 PWs) bands (ev): -11.9384 -11.9384 -11.7997 -11.7997 -8.9622 -8.9622 -8.8589 -8.8589 -3.7773 -3.7773 -3.7454 -3.7454 0.0986 0.0986 0.1910 0.1910 0.8774 0.8774 1.1166 1.1166 1.9407 1.9407 2.8254 2.8254 3.1187 3.1187 3.4965 3.4965 5.0867 5.0867 5.6016 5.6016 10.2307 10.2307 10.8970 10.8970 13.5447 13.5447 14.3388 14.3388 k = 0.0000 0.1843 0.5613 ( 2265 PWs) bands (ev): -11.9357 -11.9357 -11.7835 -11.7835 -8.9629 -8.9629 -8.8500 -8.8500 -3.7705 -3.7705 -3.7356 -3.7356 0.0718 0.0718 0.1733 0.1733 0.8468 0.8468 1.0457 1.0457 1.9367 1.9367 2.8243 2.8243 3.1404 3.1404 3.5386 3.5386 5.0172 5.0172 5.5827 5.5827 10.2309 10.2309 10.9573 10.9573 13.5633 13.5633 14.3012 14.3012 k = 0.0000 0.1997 0.5613 ( 2264 PWs) bands (ev): -11.9324 -11.9324 -11.7663 -11.7663 -8.9635 -8.9635 -8.8409 -8.8409 -3.7631 -3.7631 -3.7251 -3.7251 0.0436 0.0436 0.1540 0.1540 0.8156 0.8156 0.9660 0.9660 1.9426 1.9426 2.8245 2.8245 3.1624 3.1624 3.5744 3.5744 4.9457 4.9457 5.5629 5.5629 10.2313 10.2313 11.0174 11.0174 13.5872 13.5872 14.2228 14.2228 k = 0.0000 0.2150 0.5613 ( 2262 PWs) bands (ev): -11.9285 -11.9285 -11.7484 -11.7484 -8.9638 -8.9638 -8.8315 -8.8315 -3.7550 -3.7550 -3.7140 -3.7140 0.0141 0.0141 0.1330 0.1330 0.7837 0.7837 0.8802 0.8802 1.9560 1.9560 2.8258 2.8258 3.1848 3.1848 3.6039 3.6039 4.8726 4.8726 5.5424 5.5424 10.2313 10.2313 11.0768 11.0768 13.6162 13.6162 14.1469 14.1469 k = 0.0000 0.2304 0.5613 ( 2262 PWs) bands (ev): -11.9242 -11.9242 -11.7296 -11.7296 -8.9639 -8.9639 -8.8218 -8.8218 -3.7464 -3.7464 -3.7022 -3.7022 -0.0166 -0.0166 0.1102 0.1102 0.7510 0.7510 0.7906 0.7906 1.9752 1.9752 2.8283 2.8283 3.2074 3.2074 3.6270 3.6270 4.7981 4.7981 5.5218 5.5218 10.2307 10.2307 11.1350 11.1350 13.6495 13.6495 14.0740 14.0740 k = 0.0000 0.2458 0.5613 ( 2260 PWs) bands (ev): -11.9194 -11.9194 -11.7100 -11.7100 -8.9639 -8.9639 -8.8120 -8.8120 -3.7371 -3.7371 -3.6898 -3.6898 -0.0483 -0.0483 0.0856 0.0856 0.6990 0.6990 0.7176 0.7176 1.9986 1.9986 2.8320 2.8320 3.2303 3.2303 3.6438 3.6438 4.7227 4.7227 5.5013 5.5013 10.2290 10.2290 11.1916 11.1916 13.6853 13.6853 14.0056 14.0056 k = 0.0000 0.2611 0.5613 ( 2264 PWs) bands (ev): -11.9142 -11.9142 -11.6897 -11.6897 -8.9637 -8.9637 -8.8020 -8.8020 -3.7273 -3.7273 -3.6769 -3.6769 -0.0809 -0.0809 0.0587 0.0587 0.6070 0.6070 0.6834 0.6834 2.0253 2.0253 2.8368 2.8368 3.2533 3.2533 3.6545 3.6545 4.6467 4.6467 5.4811 5.4811 10.2261 10.2261 11.2460 11.2460 13.7196 13.7196 13.9456 13.9456 k = 0.0000 0.2765 0.5613 ( 2268 PWs) bands (ev): -11.9086 -11.9086 -11.6687 -11.6687 -8.9634 -8.9634 -8.7918 -8.7918 -3.7170 -3.7170 -3.6635 -3.6635 -0.1142 -0.1142 0.0293 0.0293 0.5160 0.5160 0.6483 0.6483 2.0545 2.0545 2.8427 2.8427 3.2764 3.2764 3.6594 3.6594 4.5705 4.5705 5.4614 5.4614 10.2218 10.2218 11.2981 11.2981 13.7399 13.7399 13.9062 13.9062 k = 0.0000 0.2918 0.5613 ( 2267 PWs) bands (ev): -11.9027 -11.9027 -11.6469 -11.6469 -8.9631 -8.9631 -8.7816 -8.7816 -3.7062 -3.7062 -3.6495 -3.6495 -0.1482 -0.1482 -0.0032 -0.0032 0.4273 0.4273 0.6124 0.6124 2.0855 2.0855 2.8496 2.8496 3.2996 3.2996 3.6587 3.6587 4.4943 4.4943 5.4422 5.4422 10.2158 10.2158 11.3473 11.3473 13.7244 13.7244 13.9087 13.9087 k = 0.0000 0.3072 0.5613 ( 2269 PWs) bands (ev): -11.8965 -11.8965 -11.6245 -11.6245 -8.9627 -8.9627 -8.7712 -8.7712 -3.6949 -3.6949 -3.6351 -3.6351 -0.1827 -0.1827 -0.0398 -0.0398 0.3424 0.3424 0.5757 0.5757 2.1181 2.1181 2.8574 2.8574 3.3227 3.3227 3.6528 3.6528 4.4185 4.4185 5.4237 5.4237 10.2080 10.2080 11.3934 11.3934 13.6794 13.6794 13.9461 13.9461 k = 0.0000 0.3226 0.5613 ( 2269 PWs) bands (ev): -11.8900 -11.8900 -11.6014 -11.6014 -8.9623 -8.9623 -8.7608 -8.7608 -3.6831 -3.6831 -3.6202 -3.6202 -0.2176 -0.2176 -0.0815 -0.0815 0.2630 0.2630 0.5382 0.5382 2.1519 2.1519 2.8662 2.8662 3.3458 3.3458 3.6421 3.6421 4.3434 4.3434 5.4058 5.4058 10.1985 10.1985 11.4362 11.4362 13.6247 13.6247 13.9984 13.9984 k = 0.0000 0.3379 0.5613 ( 2267 PWs) bands (ev): -11.8834 -11.8834 -11.5778 -11.5778 -8.9619 -8.9619 -8.7504 -8.7504 -3.6708 -3.6708 -3.6049 -3.6049 -0.2528 -0.2528 -0.1293 -0.1293 0.1906 0.1906 0.4999 0.4999 2.1866 2.1866 2.8759 2.8759 3.3686 3.3686 3.6271 3.6271 4.2693 4.2693 5.3885 5.3885 10.1870 10.1870 11.4755 11.4755 13.5678 13.5678 14.0571 14.0571 k = 0.0000 0.3533 0.5613 ( 2265 PWs) bands (ev): -11.8767 -11.8767 -11.5535 -11.5535 -8.9615 -8.9615 -8.7400 -8.7400 -3.6582 -3.6582 -3.5892 -3.5892 -0.2882 -0.2882 -0.1841 -0.1841 0.1262 0.1262 0.4608 0.4608 2.2221 2.2221 2.8862 2.8862 3.3911 3.3911 3.6082 3.6082 4.1965 4.1965 5.3718 5.3718 10.1737 10.1737 11.5112 11.5112 13.5113 13.5113 14.1193 14.1193 k = 0.0000 0.3687 0.5613 ( 2264 PWs) bands (ev): -11.8699 -11.8699 -11.5288 -11.5288 -8.9612 -8.9612 -8.7296 -8.7296 -3.6451 -3.6451 -3.5731 -3.5731 -0.3236 -0.3236 -0.2455 -0.2455 0.0701 0.0701 0.4211 0.4211 2.2581 2.2581 2.8972 2.8972 3.4130 3.4130 3.5860 3.5860 4.1256 4.1256 5.3555 5.3555 10.1586 10.1586 11.5432 11.5432 13.4560 13.4560 14.1831 14.1831 k = 0.0000 0.3840 0.5613 ( 2260 PWs) bands (ev): -11.8631 -11.8631 -11.5035 -11.5035 -8.9610 -8.9610 -8.7193 -8.7193 -3.6316 -3.6316 -3.5567 -3.5567 -0.3591 -0.3591 -0.3123 -0.3123 0.0212 0.0212 0.3807 0.3807 2.2947 2.2947 2.9088 2.9088 3.4342 3.4342 3.5609 3.5609 4.0568 4.0568 5.3397 5.3397 10.1418 10.1418 11.5717 11.5717 13.4024 13.4024 14.2477 14.2477 k = 0.0000 0.3994 0.5613 ( 2260 PWs) bands (ev): -11.8563 -11.8563 -11.4779 -11.4779 -8.9609 -8.9609 -8.7092 -8.7092 -3.6178 -3.6178 -3.5401 -3.5401 -0.3944 -0.3944 -0.3827 -0.3827 -0.0220 -0.0220 0.3398 0.3398 2.3316 2.3316 2.9209 2.9209 3.4540 3.4540 3.5335 3.5335 3.9908 3.9908 5.3240 5.3240 10.1232 10.1232 11.5965 11.5965 13.3506 13.3506 14.3119 14.3119 k = 0.0000 0.4147 0.5613 ( 2259 PWs) bands (ev): -11.8496 -11.8496 -11.4518 -11.4518 -8.9609 -8.9609 -8.6993 -8.6993 -3.6036 -3.6036 -3.5233 -3.5233 -0.4550 -0.4550 -0.4294 -0.4294 -0.0611 -0.0611 0.2983 0.2983 2.3689 2.3689 2.9332 2.9332 3.4720 3.4720 3.5043 3.5043 3.9284 3.9284 5.3086 5.3086 10.1031 10.1031 11.6178 11.6178 13.3009 13.3009 14.3750 14.3750 k = 0.0000 0.4301 0.5613 ( 2259 PWs) bands (ev): -11.8432 -11.8432 -11.4255 -11.4255 -8.9611 -8.9611 -8.6895 -8.6895 -3.5891 -3.5891 -3.5062 -3.5062 -0.5275 -0.5275 -0.4643 -0.4643 -0.0973 -0.0973 0.2563 0.2563 2.4063 2.4063 2.9457 2.9457 3.4736 3.4736 3.4874 3.4874 3.8709 3.8709 5.2935 5.2935 10.0815 10.0815 11.6357 11.6357 13.2533 13.2533 14.4362 14.4362 k = 0.0000 0.4455 0.5613 ( 2259 PWs) bands (ev): -11.8369 -11.8369 -11.3988 -11.3988 -8.9614 -8.9614 -8.6800 -8.6800 -3.5743 -3.5743 -3.4890 -3.4890 -0.5992 -0.5992 -0.4988 -0.4988 -0.1314 -0.1314 0.2139 0.2139 2.4439 2.4439 2.9581 2.9581 3.4425 3.4425 3.4977 3.4977 3.8201 3.8201 5.2785 5.2785 10.0586 10.0586 11.6505 11.6505 13.2078 13.2078 14.4947 14.4947 k = 0.0000 0.4608 0.5613 ( 2261 PWs) bands (ev): -11.8309 -11.8309 -11.3720 -11.3720 -8.9619 -8.9619 -8.6708 -8.6708 -3.5593 -3.5593 -3.4717 -3.4717 -0.6695 -0.6695 -0.5328 -0.5328 -0.1641 -0.1641 0.1712 0.1712 2.4815 2.4815 2.9702 2.9702 3.4110 3.4110 3.5006 3.5006 3.7788 3.7788 5.2636 5.2636 10.0346 10.0346 11.6624 11.6624 13.1644 13.1644 14.5501 14.5501 k = 0.0000 0.4762 0.5613 ( 2261 PWs) bands (ev): -11.8253 -11.8253 -11.3450 -11.3450 -8.9626 -8.9626 -8.6619 -8.6619 -3.5439 -3.5439 -3.4543 -3.4543 -0.7375 -0.7375 -0.5663 -0.5663 -0.1958 -0.1958 0.1283 0.1283 2.5191 2.5191 2.9817 2.9817 3.3800 3.3800 3.4931 3.4931 3.7504 3.7504 5.2488 5.2488 10.0096 10.0096 11.6715 11.6715 13.1233 13.1233 14.6018 14.6018 k = 0.0000 0.4915 0.5613 ( 2255 PWs) bands (ev): -11.8200 -11.8200 -11.3179 -11.3179 -8.9635 -8.9635 -8.6534 -8.6534 -3.5283 -3.5283 -3.4369 -3.4369 -0.8030 -0.8030 -0.5992 -0.5992 -0.2266 -0.2266 0.0852 0.0852 2.5567 2.5567 2.9921 2.9921 3.3501 3.3501 3.4735 3.4735 3.7364 3.7364 5.2341 5.2341 9.9837 9.9837 11.6782 11.6782 13.0844 13.0844 14.6495 14.6495 k = 0.0000 0.5069 0.5613 ( 2255 PWs) bands (ev): -11.8152 -11.8152 -11.2908 -11.2908 -8.9646 -8.9646 -8.6452 -8.6452 -3.5125 -3.5125 -3.4195 -3.4195 -0.8657 -0.8657 -0.6315 -0.6315 -0.2568 -0.2568 0.0419 0.0419 2.5943 2.5943 3.0008 3.0008 3.3221 3.3221 3.4440 3.4440 3.7348 3.7348 5.2196 5.2196 9.9571 9.9571 11.6827 11.6827 13.0477 13.0477 14.6930 14.6930 k = 0.0000 0.5223 0.5613 ( 2257 PWs) bands (ev): -11.8110 -11.8110 -11.2638 -11.2638 -8.9659 -8.9659 -8.6376 -8.6376 -3.4965 -3.4965 -3.4022 -3.4022 -0.9251 -0.9251 -0.6631 -0.6631 -0.2866 -0.2866 -0.0013 -0.0013 2.6316 2.6316 3.0070 3.0070 3.2972 3.2972 3.4084 3.4084 3.7420 3.7420 5.2051 5.2051 9.9300 9.9300 11.6851 11.6851 13.0132 13.0132 14.7322 14.7322 k = 0.0000 0.5376 0.5613 ( 2256 PWs) bands (ev): -11.8073 -11.8073 -11.2369 -11.2369 -8.9674 -8.9674 -8.6303 -8.6303 -3.4803 -3.4803 -3.3850 -3.3850 -0.9811 -0.9811 -0.6938 -0.6938 -0.3159 -0.3159 -0.0446 -0.0446 2.6688 2.6688 3.0098 3.0098 3.2763 3.2763 3.3702 3.3702 3.7544 3.7544 5.1907 5.1907 9.9025 9.9025 11.6859 11.6859 12.9808 12.9808 14.7672 14.7672 k = 0.0000 0.5530 0.5613 ( 2256 PWs) bands (ev): -11.8042 -11.8042 -11.2102 -11.2102 -8.9691 -8.9691 -8.6236 -8.6236 -3.4639 -3.4639 -3.3679 -3.3679 -1.0335 -1.0335 -0.7238 -0.7238 -0.3447 -0.3447 -0.0878 -0.0878 2.7058 2.7058 3.0082 3.0082 3.2606 3.2606 3.3316 3.3316 3.7700 3.7700 5.1765 5.1765 9.8748 9.8748 11.6852 11.6852 12.9507 12.9507 14.7982 14.7982 k = 0.0000 0.5683 0.5613 ( 2258 PWs) bands (ev): -11.8017 -11.8017 -11.1838 -11.1838 -8.9710 -8.9710 -8.6174 -8.6174 -3.4475 -3.4475 -3.3510 -3.3510 -1.0822 -1.0822 -0.7528 -0.7528 -0.3733 -0.3733 -0.1308 -0.1308 2.7424 2.7424 3.0017 3.0017 3.2508 3.2508 3.2941 3.2941 3.7874 3.7874 5.1625 5.1625 9.8471 9.8471 11.6833 11.6833 12.9227 12.9227 14.8255 14.8255 k = 0.0000 0.5837 0.5613 ( 2252 PWs) bands (ev): -11.8000 -11.8000 -11.1578 -11.1578 -8.9731 -8.9731 -8.6118 -8.6118 -3.4308 -3.4308 -3.3344 -3.3344 -1.1270 -1.1270 -0.7808 -0.7808 -0.4015 -0.4015 -0.1736 -0.1736 2.7788 2.7788 2.9903 2.9903 3.2470 3.2470 3.2585 3.2585 3.8059 3.8059 5.1487 5.1487 9.8195 9.8195 11.6804 11.6804 12.8969 12.8969 14.8495 14.8495 k = 0.0000 0.5991 0.5613 ( 2256 PWs) bands (ev): -11.7990 -11.7990 -11.1322 -11.1322 -8.9754 -8.9754 -8.6068 -8.6068 -3.4141 -3.4141 -3.3180 -3.3180 -1.1678 -1.1678 -0.8079 -0.8079 -0.4293 -0.4293 -0.2162 -0.2162 2.8148 2.8148 2.9749 2.9749 3.2253 3.2253 3.2484 3.2484 3.8249 3.8249 5.1352 5.1352 9.7921 9.7921 11.6767 11.6767 12.8731 12.8731 14.8706 14.8706 k = 0.0000 0.6144 0.5613 ( 2254 PWs) bands (ev): -11.7989 -11.7989 -11.1071 -11.1071 -8.9777 -8.9777 -8.6024 -8.6024 -3.3974 -3.3974 -3.3019 -3.3019 -1.2045 -1.2045 -0.8338 -0.8338 -0.4567 -0.4567 -0.2584 -0.2584 2.8503 2.8503 2.9568 2.9568 3.1949 3.1949 3.2540 3.2540 3.8441 3.8441 5.1220 5.1220 9.7652 9.7652 11.6725 11.6725 12.8513 12.8513 14.8892 14.8892 k = 0.0000 0.6298 0.5613 ( 2251 PWs) bands (ev): -11.7995 -11.7995 -11.0827 -11.0827 -8.9802 -8.9802 -8.5986 -8.5986 -3.3806 -3.3806 -3.2862 -3.2862 -1.2371 -1.2371 -0.8585 -0.8585 -0.4837 -0.4837 -0.3003 -0.3003 2.8854 2.8854 2.9370 2.9370 3.1675 3.1675 3.2626 3.2626 3.8634 3.8634 5.1091 5.1091 9.7389 9.7389 11.6679 11.6679 12.8316 12.8316 14.9059 14.9059 k = 0.0000 0.6451 0.5613 ( 2250 PWs) bands (ev): -11.8011 -11.8011 -11.0589 -11.0589 -8.9828 -8.9828 -8.5955 -8.5955 -3.3638 -3.3638 -3.2708 -3.2708 -1.2655 -1.2655 -0.8821 -0.8821 -0.5104 -0.5104 -0.3418 -0.3418 2.9153 2.9153 2.9213 2.9213 3.1434 3.1434 3.2734 3.2734 3.8826 3.8826 5.0966 5.0966 9.7132 9.7132 11.6632 11.6632 12.8136 12.8136 14.9210 14.9210 k = 0.0000 0.6605 0.5613 ( 2242 PWs) bands (ev): -11.8035 -11.8035 -11.0359 -11.0359 -8.9854 -8.9854 -8.5930 -8.5930 -3.3471 -3.3471 -3.2559 -3.2559 -1.2895 -1.2895 -0.9044 -0.9044 -0.5366 -0.5366 -0.3827 -0.3827 2.8960 2.8960 2.9544 2.9544 3.1226 3.1226 3.2857 3.2857 3.9016 3.9016 5.0847 5.0847 9.6884 9.6884 11.6584 11.6584 12.7975 12.7975 14.9350 14.9350 k = 0.0000 0.6759 0.5613 ( 2240 PWs) bands (ev): -11.8068 -11.8068 -11.0138 -11.0138 -8.9880 -8.9880 -8.5913 -8.5913 -3.3305 -3.3305 -3.2414 -3.2414 -1.3093 -1.3093 -0.9254 -0.9254 -0.5622 -0.5622 -0.4232 -0.4232 2.8762 2.8762 2.9880 2.9880 3.1053 3.1053 3.2989 3.2989 3.9203 3.9203 5.0731 5.0731 9.6646 9.6646 11.6538 11.6538 12.7830 12.7830 14.9483 14.9483 k = 0.0000 0.6912 0.5613 ( 2241 PWs) bands (ev): -11.8111 -11.8111 -10.9926 -10.9926 -8.9906 -8.9906 -8.5903 -8.5903 -3.3139 -3.3139 -3.2274 -3.2274 -1.3248 -1.3248 -0.9450 -0.9450 -0.5874 -0.5874 -0.4630 -0.4630 2.8574 2.8574 3.0210 3.0210 3.0915 3.0915 3.3127 3.3127 3.9385 3.9385 5.0620 5.0620 9.6420 9.6420 11.6494 11.6494 12.7701 12.7701 14.9611 14.9611 k = 0.0000 0.6912 0.5613 ( 2241 PWs) bands (ev): -11.8111 -11.8111 -10.9926 -10.9926 -8.9906 -8.9906 -8.5903 -8.5903 -3.3139 -3.3139 -3.2274 -3.2274 -1.3248 -1.3248 -0.9450 -0.9450 -0.5874 -0.5874 -0.4630 -0.4630 2.8574 2.8574 3.0210 3.0210 3.0915 3.0915 3.3127 3.3127 3.9385 3.9385 5.0620 5.0620 9.6420 9.6420 11.6494 11.6494 12.7701 12.7701 14.9611 14.9611 k = 0.0000 0.6980 0.5483 ( 2243 PWs) bands (ev): -11.8222 -11.8222 -10.9663 -10.9663 -8.9989 -8.9989 -8.5898 -8.5898 -3.2899 -3.2899 -3.2043 -3.2043 -1.3523 -1.3523 -0.9797 -0.9797 -0.6309 -0.6309 -0.5280 -0.5280 2.8962 2.8962 3.0658 3.0658 3.0902 3.0902 3.3527 3.3527 3.9777 3.9777 5.0350 5.0350 9.6841 9.6841 11.7001 11.7001 12.6912 12.6912 14.9233 14.9233 k = 0.0000 0.7048 0.5354 ( 2245 PWs) bands (ev): -11.8323 -11.8323 -10.9417 -10.9417 -9.0069 -9.0069 -8.5894 -8.5894 -3.2666 -3.2666 -3.1819 -3.1819 -1.3777 -1.3777 -1.0101 -1.0101 -0.6719 -0.6719 -0.5909 -0.5909 2.9327 2.9327 3.0477 3.0477 3.1493 3.1493 3.3909 3.3909 4.0137 4.0137 5.0082 5.0082 9.7265 9.7265 11.7476 11.7476 12.6152 12.6152 14.8881 14.8881 k = 0.0000 0.7116 0.5224 ( 2243 PWs) bands (ev): -11.8415 -11.8415 -10.9190 -10.9190 -9.0146 -9.0146 -8.5891 -8.5891 -3.2442 -3.2442 -3.1603 -3.1603 -1.4010 -1.4010 -1.0358 -1.0358 -0.7101 -0.7101 -0.6512 -0.6512 2.9666 2.9666 3.0297 3.0297 3.2056 3.2056 3.4271 3.4271 4.0466 4.0466 4.9820 4.9820 9.7684 9.7684 11.7917 11.7917 12.5427 12.5427 14.8557 14.8557 k = 0.0000 0.7184 0.5094 ( 2249 PWs) bands (ev): -11.8498 -11.8498 -10.8982 -10.8982 -9.0218 -9.0218 -8.5889 -8.5889 -3.2232 -3.2232 -3.1399 -3.1399 -1.4223 -1.4223 -1.0568 -1.0568 -0.7453 -0.7453 -0.7087 -0.7087 2.9977 2.9977 3.0133 3.0133 3.2570 3.2570 3.4608 3.4608 4.0760 4.0760 4.9567 4.9567 9.8092 9.8092 11.8322 11.8322 12.4744 12.4744 14.8262 14.8262 k = 0.0000 0.7252 0.4965 ( 2247 PWs) bands (ev): -11.8571 -11.8571 -10.8795 -10.8795 -9.0284 -9.0284 -8.5887 -8.5887 -3.2037 -3.2037 -3.1209 -3.1209 -1.4413 -1.4413 -1.0729 -1.0729 -0.7773 -0.7773 -0.7630 -0.7630 2.9988 2.9988 3.0257 3.0257 3.3033 3.3033 3.4919 3.4919 4.1020 4.1020 4.9328 4.9328 9.8481 9.8481 11.8687 11.8687 12.4113 12.4113 14.7998 14.7998 k = 0.0000 0.7320 0.4835 ( 2247 PWs) bands (ev): -11.8635 -11.8635 -10.8630 -10.8630 -9.0343 -9.0343 -8.5885 -8.5885 -3.1860 -3.1860 -3.1037 -3.1037 -1.4581 -1.4581 -1.0840 -1.0840 -0.8149 -0.8149 -0.8046 -0.8046 2.9863 2.9863 3.0505 3.0505 3.3441 3.3441 3.5199 3.5199 4.1246 4.1246 4.9108 4.9108 9.8843 9.8843 11.9009 11.9009 12.3540 12.3540 14.7766 14.7766 k = 0.0000 0.7389 0.4706 ( 2247 PWs) bands (ev): -11.8689 -11.8689 -10.8488 -10.8488 -9.0395 -9.0395 -8.5884 -8.5884 -3.1705 -3.1705 -3.0886 -3.0886 -1.4726 -1.4726 -1.0900 -1.0900 -0.8619 -0.8619 -0.8292 -0.8292 2.9756 2.9756 3.0718 3.0718 3.3791 3.3791 3.5444 3.5444 4.1438 4.1438 4.8910 4.8910 9.9169 9.9169 11.9287 11.9287 12.3035 12.3035 14.7568 14.7568 k = 0.0000 0.7457 0.4576 ( 2245 PWs) bands (ev): -11.8733 -11.8733 -10.8371 -10.8371 -9.0439 -9.0439 -8.5884 -8.5884 -3.1574 -3.1574 -3.0757 -3.0757 -1.4845 -1.4845 -1.0908 -1.0908 -0.9051 -0.9051 -0.8495 -0.8495 2.9669 2.9669 3.0895 3.0895 3.4081 3.4081 3.5652 3.5652 4.1594 4.1594 4.8741 4.8741 9.9452 9.9452 11.9518 11.9518 12.2606 12.2606 14.7405 14.7405 k = 0.0000 0.7525 0.4446 ( 2242 PWs) bands (ev): -11.8768 -11.8768 -10.8278 -10.8278 -9.0474 -9.0474 -8.5883 -8.5883 -3.1470 -3.1470 -3.0655 -3.0655 -1.4940 -1.4940 -1.0867 -1.0867 -0.9439 -0.9439 -0.8654 -0.8654 2.9601 2.9601 3.1035 3.1035 3.4309 3.4309 3.5818 3.5818 4.1716 4.1716 4.8603 4.8603 9.9681 9.9681 11.9700 11.9700 12.2262 12.2262 14.7277 14.7277 k = 0.0000 0.7593 0.4317 ( 2240 PWs) bands (ev): -11.8793 -11.8793 -10.8212 -10.8212 -9.0499 -9.0499 -8.5883 -8.5883 -3.1394 -3.1394 -3.0580 -3.0580 -1.5008 -1.5008 -1.0779 -1.0779 -0.9776 -0.9776 -0.8768 -0.8768 2.9552 2.9552 3.1135 3.1135 3.4473 3.4473 3.5940 3.5940 4.1803 4.1803 4.8502 4.8502 9.9852 9.9852 11.9831 11.9831 12.2011 12.2011 14.7185 14.7185 k = 0.0000 0.7661 0.4187 ( 2238 PWs) bands (ev): -11.8807 -11.8807 -10.8172 -10.8172 -9.0514 -9.0514 -8.5882 -8.5882 -3.1348 -3.1348 -3.0534 -3.0534 -1.5049 -1.5049 -1.0659 -1.0659 -1.0046 -1.0046 -0.8838 -0.8838 2.9523 2.9523 3.1195 3.1195 3.4572 3.4572 3.6014 3.6014 4.1855 4.1855 4.8441 4.8441 9.9956 9.9956 11.9910 11.9910 12.1857 12.1857 14.7129 14.7129 k = 0.0000 0.7729 0.4058 ( 2236 PWs) bands (ev): -11.8812 -11.8812 -10.8159 -10.8159 -9.0519 -9.0519 -8.5882 -8.5882 -3.1332 -3.1332 -3.0519 -3.0519 -1.5063 -1.5063 -1.0580 -1.0580 -1.0176 -1.0176 -0.8861 -0.8861 2.9513 2.9513 3.1216 3.1216 3.4605 3.4605 3.6039 3.6039 4.1872 4.1872 4.8420 4.8420 9.9992 9.9992 11.9936 11.9936 12.1806 12.1806 14.7111 14.7111 k = 0.0000 0.7729 0.4058 ( 2236 PWs) bands (ev): -11.8812 -11.8812 -10.8159 -10.8159 -9.0519 -9.0519 -8.5882 -8.5882 -3.1332 -3.1332 -3.0519 -3.0519 -1.5063 -1.5063 -1.0580 -1.0580 -1.0176 -1.0176 -0.8861 -0.8861 2.9513 2.9513 3.1216 3.1216 3.4605 3.4605 3.6039 3.6039 4.1872 4.1872 4.8420 4.8420 9.9992 9.9992 11.9936 11.9936 12.1806 12.1806 14.7111 14.7111 k = 0.0152 0.7729 0.4058 ( 2236 PWs) bands (ev): -11.8807 -11.8807 -10.8165 -10.8165 -9.0517 -9.0517 -8.5885 -8.5885 -3.1351 -3.1351 -3.0538 -3.0538 -1.5047 -1.5047 -1.0573 -1.0573 -1.0146 -1.0146 -0.8814 -0.8814 2.9020 2.9020 3.1653 3.1653 3.4589 3.4589 3.6058 3.6058 4.1855 4.1855 4.8427 4.8427 9.9949 9.9949 11.9999 11.9999 12.1770 12.1770 14.7134 14.7134 k = 0.0303 0.7729 0.4058 ( 2242 PWs) bands (ev): -11.8792 -11.8792 -10.8186 -10.8186 -9.0508 -9.0508 -8.5894 -8.5894 -3.1409 -3.1409 -3.0595 -3.0595 -1.5000 -1.5000 -1.0550 -1.0550 -1.0058 -1.0058 -0.8678 -0.8678 2.8093 2.8093 3.2391 3.2391 3.4540 3.4540 3.6137 3.6137 4.1802 4.1802 4.8449 4.8449 9.9822 9.9822 12.0186 12.0186 12.1663 12.1663 14.7202 14.7202 k = 0.0455 0.7729 0.4058 ( 2246 PWs) bands (ev): -11.8765 -11.8765 -10.8220 -10.8220 -9.0495 -9.0495 -8.5909 -8.5909 -3.1503 -3.1503 -3.0690 -3.0690 -1.4922 -1.4922 -1.0505 -1.0505 -0.9912 -0.9912 -0.8458 -0.8458 2.7064 2.7064 3.3031 3.3031 3.4459 3.4459 3.6344 3.6344 4.1716 4.1716 4.8486 4.8486 9.9617 9.9617 12.0490 12.0490 12.1487 12.1487 14.7316 14.7316 k = 0.0606 0.7729 0.4058 ( 2248 PWs) bands (ev): -11.8729 -11.8729 -10.8268 -10.8268 -9.0476 -9.0476 -8.5930 -8.5930 -3.1632 -3.1632 -3.0818 -3.0818 -1.4814 -1.4814 -1.0430 -1.0430 -0.9710 -0.9710 -0.8165 -0.8165 2.5998 2.5998 3.3420 3.3420 3.4346 3.4346 3.6765 3.6765 4.1596 4.1596 4.8537 4.8537 9.9344 9.9344 12.0903 12.0903 12.1242 12.1242 14.7476 14.7476 k = 0.0758 0.7729 0.4058 ( 2254 PWs) bands (ev): -11.8682 -11.8682 -10.8330 -10.8330 -9.0451 -9.0451 -8.5956 -8.5956 -3.1793 -3.1793 -3.0979 -3.0979 -1.4678 -1.4678 -1.0319 -1.0319 -0.9456 -0.9456 -0.7807 -0.7807 2.4915 2.4915 3.3522 3.3522 3.4203 3.4203 3.7416 3.7416 4.1444 4.1444 4.8602 4.8602 9.9013 9.9013 12.0930 12.0930 12.1416 12.1416 14.7680 14.7680 k = 0.0909 0.7729 0.4058 ( 2256 PWs) bands (ev): -11.8625 -11.8625 -10.8404 -10.8404 -9.0421 -9.0421 -8.5988 -8.5988 -3.1982 -3.1982 -3.1169 -3.1169 -1.4513 -1.4513 -1.0168 -1.0168 -0.9153 -0.9153 -0.7391 -0.7391 2.3825 2.3825 3.3400 3.3400 3.4028 3.4028 3.8219 3.8219 4.1267 4.1267 4.8681 4.8681 9.8636 9.8636 12.0554 12.0554 12.2015 12.2015 14.7929 14.7929 k = 0.1061 0.7729 0.4058 ( 2258 PWs) bands (ev): -11.8558 -11.8558 -10.8492 -10.8492 -9.0386 -9.0386 -8.6026 -8.6026 -3.2196 -3.2196 -3.1384 -3.1384 -1.4323 -1.4323 -0.9975 -0.9975 -0.8805 -0.8805 -0.6924 -0.6924 2.2733 2.2733 3.3129 3.3129 3.3824 3.3824 3.9080 3.9080 4.1082 4.1082 4.8774 4.8774 9.8227 9.8227 12.0117 12.0117 12.2690 12.2690 14.8222 14.8222 k = 0.1212 0.7729 0.4058 ( 2256 PWs) bands (ev): -11.8480 -11.8480 -10.8592 -10.8592 -9.0346 -9.0346 -8.6068 -8.6068 -3.2430 -3.2430 -3.1622 -3.1622 -1.4108 -1.4108 -0.9738 -0.9738 -0.8415 -0.8415 -0.6410 -0.6410 2.1642 2.1642 3.2751 3.2751 3.3591 3.3591 3.9857 3.9857 4.0985 4.0985 4.8880 4.8880 9.7796 9.7796 11.9622 11.9622 12.3432 12.3432 14.8558 14.8558 k = 0.1364 0.7729 0.4058 ( 2254 PWs) bands (ev): -11.8393 -11.8393 -10.8705 -10.8705 -9.0301 -9.0301 -8.6116 -8.6116 -3.2681 -3.2681 -3.1877 -3.1877 -1.3869 -1.3869 -0.9456 -0.9456 -0.7988 -0.7988 -0.5855 -0.5855 2.0554 2.0554 3.2293 3.2293 3.3332 3.3332 4.0118 4.0118 4.1381 4.1381 4.8999 4.8999 9.7354 9.7354 11.9071 11.9071 12.4229 12.4229 14.8936 14.8936 k = 0.1515 0.7729 0.4058 ( 2252 PWs) bands (ev): -11.8295 -11.8295 -10.8830 -10.8830 -9.0251 -9.0251 -8.6168 -8.6168 -3.2945 -3.2945 -3.2147 -3.2147 -1.3607 -1.3607 -0.9130 -0.9130 -0.7528 -0.7528 -0.5263 -0.5263 1.9472 1.9472 3.1766 3.1766 3.3050 3.3050 3.9912 3.9912 4.2207 4.2207 4.9130 4.9130 9.6912 9.6912 11.8470 11.8470 12.5073 12.5073 14.9353 14.9353 k = 0.1667 0.7729 0.4058 ( 2256 PWs) bands (ev): -11.8188 -11.8188 -10.8967 -10.8967 -9.0197 -9.0197 -8.6225 -8.6225 -3.3219 -3.3219 -3.2428 -3.2428 -1.3323 -1.3323 -0.8761 -0.8761 -0.7038 -0.7038 -0.4638 -0.4638 1.8396 1.8396 3.1181 3.1181 3.2745 3.2745 3.9579 3.9579 4.3112 4.3112 4.9272 4.9272 9.6479 9.6479 11.7821 11.7821 12.5958 12.5958 14.9809 14.9809 k = 0.1818 0.7729 0.4058 ( 2256 PWs) bands (ev): -11.8072 -11.8072 -10.9115 -10.9115 -9.0138 -9.0138 -8.6287 -8.6287 -3.3498 -3.3498 -3.2717 -3.2717 -1.3019 -1.3019 -0.8350 -0.8350 -0.6524 -0.6524 -0.3985 -0.3985 1.7328 1.7328 3.0544 3.0544 3.2421 3.2421 3.9192 3.9192 4.4019 4.4019 4.9426 4.9426 9.6063 9.6063 11.7128 11.7128 12.6876 12.6876 15.0298 15.0298 k = 0.1970 0.7729 0.4058 ( 2258 PWs) bands (ev): -11.7945 -11.7945 -10.9274 -10.9274 -9.0074 -9.0074 -8.6352 -8.6352 -3.3780 -3.3780 -3.3011 -3.3011 -1.2694 -1.2694 -0.7898 -0.7898 -0.5989 -0.5989 -0.3307 -0.3307 1.6270 1.6270 2.9859 2.9859 3.2079 3.2079 3.8766 3.8766 4.4910 4.4910 4.9590 4.9590 9.5671 9.5671 11.6396 11.6396 12.7824 12.7824 15.0818 15.0818 k = 0.2121 0.7729 0.4058 ( 2260 PWs) bands (ev): -11.7810 -11.7810 -10.9443 -10.9443 -9.0006 -9.0006 -8.6421 -8.6421 -3.4062 -3.4062 -3.3308 -3.3308 -1.2349 -1.2349 -0.7409 -0.7409 -0.5436 -0.5436 -0.2607 -0.2607 1.5222 1.5222 2.9132 2.9132 3.1723 3.1723 3.8305 3.8305 4.5775 4.5775 4.9764 4.9764 9.5311 9.5311 11.5627 11.5627 12.8794 12.8794 15.1361 15.1361 k = 0.2273 0.7729 0.4058 ( 2260 PWs) bands (ev): -11.7666 -11.7666 -10.9623 -10.9623 -8.9934 -8.9934 -8.6494 -8.6494 -3.4341 -3.4341 -3.3604 -3.3604 -1.1983 -1.1983 -0.6883 -0.6883 -0.4869 -0.4869 -0.1890 -0.1890 1.4185 1.4185 2.8366 2.8366 3.1357 3.1357 3.7814 3.7814 4.6606 4.6606 4.9947 4.9947 9.4988 9.4988 11.4827 11.4827 12.9785 12.9785 15.1669 15.1669 k = 0.2424 0.7729 0.4058 ( 2256 PWs) bands (ev): -11.7513 -11.7513 -10.9811 -10.9811 -8.9859 -8.9859 -8.6571 -8.6571 -3.4614 -3.4614 -3.3897 -3.3897 -1.1598 -1.1598 -0.6324 -0.6324 -0.4293 -0.4293 -0.1159 -0.1159 1.3160 1.3160 2.7566 2.7566 3.0982 3.0982 3.7297 3.7297 4.7401 4.7401 5.0137 5.0137 9.4709 9.4709 11.3999 11.3999 13.0793 13.0793 15.1679 15.1679 k = 0.2576 0.7729 0.4058 ( 2254 PWs) bands (ev): -11.7351 -11.7351 -11.0009 -11.0009 -8.9779 -8.9779 -8.6650 -8.6650 -3.4879 -3.4879 -3.4185 -3.4185 -1.1193 -1.1193 -0.5735 -0.5735 -0.3711 -0.3711 -0.0417 -0.0417 1.2148 1.2148 2.6735 2.6735 3.0603 3.0603 3.6756 3.6756 4.8153 4.8153 5.0335 5.0335 9.4478 9.4478 11.3146 11.3146 13.1816 13.1816 15.1697 15.1697 k = 0.2727 0.7729 0.4058 ( 2256 PWs) bands (ev): -11.7181 -11.7181 -11.0215 -11.0215 -8.9697 -8.9697 -8.6733 -8.6733 -3.5134 -3.5134 -3.4466 -3.4466 -1.0768 -1.0768 -0.5119 -0.5119 -0.3126 -0.3126 0.0332 0.0332 1.1149 1.1149 2.5873 2.5873 3.0224 3.0224 3.6193 3.6193 4.8861 4.8861 5.0539 5.0539 9.4301 9.4301 11.2272 11.2272 13.2851 13.2851 15.1723 15.1723 k = 0.2879 0.7729 0.4058 ( 2256 PWs) bands (ev): -11.7003 -11.7003 -11.0428 -11.0428 -8.9611 -8.9611 -8.6818 -8.6818 -3.5378 -3.5378 -3.4739 -3.4739 -1.0322 -1.0322 -0.4481 -0.4481 -0.2543 -0.2543 0.1087 0.1087 1.0165 1.0165 2.4988 2.4988 2.9848 2.9848 3.5613 3.5613 4.9519 4.9519 5.0747 5.0747 9.4180 9.4180 11.1381 11.1381 13.3897 13.3897 15.1757 15.1757 k = 0.3030 0.7729 0.4058 ( 2260 PWs) bands (ev): -11.6817 -11.6817 -11.0648 -11.0648 -8.9522 -8.9522 -8.6906 -8.6906 -3.5609 -3.5609 -3.5001 -3.5001 -0.9857 -0.9857 -0.3824 -0.3824 -0.1966 -0.1966 0.1843 0.1843 0.9196 0.9196 2.4080 2.4080 2.9481 2.9481 3.5018 3.5018 5.0126 5.0126 5.0958 5.0958 9.4120 9.4120 11.0476 11.0476 13.4951 13.4951 15.1798 15.1798 k = 0.3182 0.7729 0.4058 ( 2262 PWs) bands (ev): -11.6624 -11.6624 -11.0875 -11.0875 -8.9430 -8.9430 -8.6996 -8.6996 -3.5825 -3.5825 -3.5252 -3.5252 -0.9372 -0.9372 -0.3154 -0.3154 -0.1399 -0.1399 0.2598 0.2598 0.8242 0.8242 2.3154 2.3154 2.9129 2.9129 3.4412 3.4412 5.0680 5.0680 5.1172 5.1172 9.4123 9.4123 10.9561 10.9561 13.6013 13.6013 15.1847 15.1847 k = 0.3333 0.7729 0.4058 ( 2264 PWs) bands (ev): -11.6424 -11.6424 -11.1107 -11.1107 -8.9336 -8.9336 -8.7088 -8.7088 -3.6026 -3.6026 -3.5489 -3.5489 -0.8866 -0.8866 -0.2477 -0.2477 -0.0847 -0.0847 0.3351 0.3351 0.7306 0.7306 2.2213 2.2213 2.8796 2.8796 3.3799 3.3799 5.1178 5.1178 5.1387 5.1387 9.4191 9.4191 10.8639 10.8639 13.7082 13.7082 15.1903 15.1903 k = 0.3485 0.7729 0.4058 ( 2264 PWs) bands (ev): -11.6216 -11.6216 -11.1345 -11.1345 -8.9240 -8.9240 -8.7183 -8.7183 -3.6210 -3.6210 -3.5713 -3.5713 -0.8341 -0.8341 -0.1800 -0.1800 -0.0315 -0.0315 0.4099 0.4099 0.6387 0.6387 2.1258 2.1258 2.8489 2.8489 3.3185 3.3185 5.1600 5.1600 5.1621 5.1621 9.4326 9.4326 10.7714 10.7714 13.8157 13.8157 15.1965 15.1965 k = 0.3636 0.7729 0.4058 ( 2260 PWs) bands (ev): -11.6003 -11.6003 -11.1587 -11.1587 -8.9141 -8.9141 -8.7279 -8.7279 -3.6375 -3.6375 -3.5921 -3.5921 -0.7795 -0.7795 -0.1131 -0.1131 0.0190 0.0190 0.4843 0.4843 0.5488 0.5488 2.0296 2.0296 2.8214 2.8214 3.2573 3.2573 5.1811 5.1811 5.2007 5.2007 9.4527 9.4527 10.6790 10.6790 13.9237 13.9237 15.2034 15.2034 k = 0.3788 0.7729 0.4058 ( 2268 PWs) bands (ev): -11.5783 -11.5783 -11.1833 -11.1833 -8.9041 -8.9041 -8.7377 -8.7377 -3.6523 -3.6523 -3.6113 -3.6113 -0.7229 -0.7229 -0.0479 -0.0479 0.0658 0.0658 0.4610 0.4610 0.5584 0.5584 1.9328 1.9328 2.7977 2.7977 3.1967 3.1967 5.2017 5.2017 5.2337 5.2337 9.4796 9.4796 10.5869 10.5869 14.0321 14.0321 15.2108 15.2108 k = 0.3939 0.7729 0.4058 ( 2268 PWs) bands (ev): -11.5558 -11.5558 -11.2082 -11.2082 -8.8939 -8.8939 -8.7476 -8.7476 -3.6651 -3.6651 -3.6287 -3.6287 -0.6642 -0.6642 0.0144 0.0144 0.1076 0.1076 0.3766 0.3766 0.6322 0.6322 1.8358 1.8358 2.7787 2.7787 3.1376 3.1376 5.2216 5.2216 5.2611 5.2611 9.5129 9.5129 10.4956 10.4956 14.1409 14.1409 15.2185 15.2185 k = 0.4091 0.7729 0.4058 ( 2268 PWs) bands (ev): -11.5327 -11.5327 -11.2334 -11.2334 -8.8836 -8.8836 -8.7577 -8.7577 -3.6759 -3.6759 -3.6444 -3.6444 -0.6036 -0.6036 0.0726 0.0726 0.1405 0.1405 0.2985 0.2985 0.7062 0.7062 1.7390 1.7390 2.7648 2.7648 3.0804 3.0804 5.2405 5.2405 5.2832 5.2832 9.5527 9.5527 10.4053 10.4053 14.2500 14.2500 15.2263 15.2263 k = 0.4242 0.7729 0.4058 ( 2264 PWs) bands (ev): -11.5092 -11.5092 -11.2587 -11.2587 -8.8732 -8.8732 -8.7680 -8.7680 -3.6848 -3.6848 -3.6582 -3.6582 -0.5410 -0.5410 0.1255 0.1255 0.1467 0.1467 0.2439 0.2439 0.7809 0.7809 1.6427 1.6427 2.7568 2.7568 3.0258 3.0258 5.2582 5.2582 5.3002 5.3002 9.5986 9.5986 10.3166 10.3166 14.3592 14.3592 15.2336 15.2336 k = 0.4394 0.7729 0.4058 ( 2260 PWs) bands (ev): -11.4852 -11.4852 -11.2842 -11.2842 -8.8627 -8.8627 -8.7783 -8.7783 -3.6915 -3.6915 -3.6701 -3.6701 -0.4764 -0.4764 0.0969 0.0969 0.1718 0.1718 0.2412 0.2412 0.8570 0.8570 1.5474 1.5474 2.7550 2.7550 2.9744 2.9744 5.2745 5.2745 5.3123 5.3123 9.6504 9.6504 10.2297 10.2297 14.4684 14.4684 15.2369 15.2369 k = 0.4545 0.7729 0.4058 ( 2258 PWs) bands (ev): -11.4609 -11.4609 -11.3097 -11.3097 -8.8522 -8.8522 -8.7887 -8.7887 -3.6962 -3.6962 -3.6800 -3.6800 -0.4099 -0.4099 0.0247 0.0247 0.2102 0.2102 0.2562 0.2562 0.9347 0.9347 1.4533 1.4533 2.7598 2.7598 2.9271 2.9271 5.2890 5.2890 5.3198 5.3198 9.7077 9.7077 10.1451 10.1451 14.5776 14.5776 15.2054 15.2054 k = 0.4697 0.7729 0.4058 ( 2258 PWs) bands (ev): -11.4362 -11.4362 -11.3353 -11.3353 -8.8416 -8.8416 -8.7992 -8.7992 -3.6987 -3.6987 -3.6879 -3.6879 -0.3415 -0.3415 -0.0506 -0.0506 0.2401 0.2401 0.2687 0.2687 1.0148 1.0148 1.3609 1.3609 2.7715 2.7715 2.8843 2.8843 5.3013 5.3013 5.3231 5.3231 9.7701 9.7701 10.0631 10.0631 14.6866 14.6866 15.1136 15.1136 k = 0.4848 0.7729 0.4058 ( 2258 PWs) bands (ev): -11.4113 -11.4113 -11.3607 -11.3607 -8.8310 -8.8310 -8.8098 -8.8098 -3.6992 -3.6992 -3.6937 -3.6937 -0.2712 -0.2712 -0.1255 -0.1255 0.2607 0.2607 0.2745 0.2745 1.0974 1.0974 1.2706 1.2706 2.7900 2.7900 2.8468 2.8468 5.3113 5.3113 5.3225 5.3225 9.8373 9.8373 9.9842 9.9842 14.7952 14.7952 15.0096 15.0096 k = 0.5000 0.7729 0.4058 ( 2256 PWs) bands (ev): -11.3861 -11.3861 -11.3861 -11.3861 -8.8204 -8.8204 -8.8204 -8.8204 -3.6975 -3.6975 -3.6975 -3.6975 -0.1992 -0.1992 -0.1992 -0.1992 0.2721 0.2721 0.2721 0.2721 1.1827 1.1827 1.1827 1.1827 2.8153 2.8153 2.8153 2.8153 5.3185 5.3185 5.3185 5.3185 9.9088 9.9088 9.9088 9.9088 14.9030 14.9030 14.9030 14.9030 k = 0.5000 0.7729 0.4058 ( 2256 PWs) bands (ev): -11.3861 -11.3861 -11.3861 -11.3861 -8.8204 -8.8204 -8.8204 -8.8204 -3.6975 -3.6975 -3.6975 -3.6975 -0.1992 -0.1992 -0.1992 -0.1992 0.2721 0.2721 0.2721 0.2721 1.1827 1.1827 1.1827 1.1827 2.8153 2.8153 2.8153 2.8153 5.3185 5.3185 5.3185 5.3185 9.9088 9.9088 9.9088 9.9088 14.9030 14.9030 14.9030 14.9030 k = 0.5000 0.7797 0.3928 ( 2256 PWs) bands (ev): -11.3860 -11.3860 -11.3860 -11.3860 -8.8211 -8.8211 -8.8211 -8.8211 -3.6961 -3.6961 -3.6961 -3.6961 -0.1983 -0.1983 -0.1983 -0.1983 0.2715 0.2715 0.2716 0.2716 1.1830 1.1830 1.1830 1.1830 2.8143 2.8143 2.8143 2.8143 5.3163 5.3163 5.3164 5.3164 9.9116 9.9116 9.9116 9.9116 14.8954 14.8954 14.8958 14.8958 k = 0.5000 0.7865 0.3798 ( 2258 PWs) bands (ev): -11.3859 -11.3859 -11.3859 -11.3859 -8.8231 -8.8231 -8.8231 -8.8231 -3.6918 -3.6918 -3.6918 -3.6918 -0.1957 -0.1957 -0.1956 -0.1956 0.2699 0.2699 0.2701 0.2701 1.1840 1.1840 1.1840 1.1840 2.8115 2.8115 2.8115 2.8115 5.3100 5.3100 5.3100 5.3100 9.9199 9.9199 9.9200 9.9200 14.8740 14.8740 14.8746 14.8746 k = 0.5000 0.7933 0.3669 ( 2254 PWs) bands (ev): -11.3856 -11.3856 -11.3856 -11.3856 -8.8266 -8.8266 -8.8266 -8.8266 -3.6846 -3.6846 -3.6846 -3.6846 -0.1914 -0.1914 -0.1913 -0.1913 0.2673 0.2673 0.2675 0.2675 1.1855 1.1855 1.1855 1.1855 2.8067 2.8067 2.8067 2.8067 5.2995 5.2995 5.2996 5.2996 9.9338 9.9338 9.9339 9.9339 14.8408 14.8408 14.8417 14.8417 k = 0.5000 0.8001 0.3539 ( 2258 PWs) bands (ev): -11.3852 -11.3852 -11.3852 -11.3852 -8.8313 -8.8313 -8.8313 -8.8313 -3.6747 -3.6747 -3.6747 -3.6747 -0.1854 -0.1854 -0.1852 -0.1852 0.2637 0.2637 0.2640 0.2640 1.1878 1.1878 1.1878 1.1878 2.8001 2.8001 2.8002 2.8002 5.2849 5.2849 5.2850 5.2850 9.9530 9.9530 9.9531 9.9531 14.7985 14.7985 14.7995 14.7995 k = 0.5000 0.8069 0.3410 ( 2258 PWs) bands (ev): -11.3848 -11.3848 -11.3848 -11.3848 -8.8373 -8.8373 -8.8373 -8.8373 -3.6621 -3.6621 -3.6621 -3.6621 -0.1778 -0.1778 -0.1775 -0.1775 0.2591 0.2591 0.2594 0.2594 1.1907 1.1907 1.1907 1.1907 2.7917 2.7917 2.7918 2.7918 5.2664 5.2664 5.2665 5.2665 9.9775 9.9775 9.9776 9.9776 14.7495 14.7495 14.7507 14.7507 k = 0.5000 0.8137 0.3280 ( 2260 PWs) bands (ev): -11.3843 -11.3843 -11.3843 -11.3843 -8.8445 -8.8445 -8.8445 -8.8445 -3.6470 -3.6470 -3.6469 -3.6469 -0.1685 -0.1685 -0.1681 -0.1681 0.2535 0.2535 0.2539 0.2539 1.1943 1.1943 1.1944 1.1944 2.7815 2.7815 2.7815 2.7815 5.2441 5.2441 5.2443 5.2443 10.0070 10.0070 10.0072 10.0072 14.6960 14.6960 14.6972 14.6972 k = 0.5000 0.8205 0.3150 ( 2262 PWs) bands (ev): -11.3837 -11.3837 -11.3837 -11.3837 -8.8529 -8.8529 -8.8529 -8.8529 -3.6293 -3.6293 -3.6293 -3.6293 -0.1576 -0.1576 -0.1571 -0.1571 0.2471 0.2471 0.2476 0.2476 1.1987 1.1987 1.1987 1.1987 2.7694 2.7694 2.7695 2.7695 5.2183 5.2183 5.2185 5.2185 10.0414 10.0414 10.0417 10.0417 14.6395 14.6395 14.6407 14.6407 k = 0.5000 0.8273 0.3021 ( 2262 PWs) bands (ev): -11.3831 -11.3831 -11.3831 -11.3831 -8.8622 -8.8622 -8.8622 -8.8622 -3.6093 -3.6093 -3.6092 -3.6092 -0.1452 -0.1452 -0.1446 -0.1446 0.2398 0.2398 0.2404 0.2404 1.2039 1.2039 1.2039 1.2039 2.7556 2.7556 2.7556 2.7556 5.1892 5.1892 5.1894 5.1894 10.0804 10.0804 10.0807 10.0807 14.5814 14.5814 14.5825 14.5825 k = 0.5000 0.8341 0.2891 ( 2256 PWs) bands (ev): -11.3826 -11.3826 -11.3826 -11.3826 -8.8725 -8.8725 -8.8725 -8.8725 -3.5870 -3.5870 -3.5870 -3.5870 -0.1314 -0.1314 -0.1307 -0.1307 0.2318 0.2318 0.2326 0.2326 1.2099 1.2099 1.2099 1.2099 2.7401 2.7401 2.7402 2.7402 5.1570 5.1570 5.1572 5.1572 10.1238 10.1238 10.1241 10.1241 14.5225 14.5225 14.5236 14.5236 k = 0.5000 0.8409 0.2762 ( 2256 PWs) bands (ev): -11.3820 -11.3820 -11.3820 -11.3820 -8.8836 -8.8836 -8.8836 -8.8836 -3.5628 -3.5628 -3.5627 -3.5627 -0.1163 -0.1163 -0.1155 -0.1155 0.2234 0.2234 0.2243 0.2243 1.2167 1.2167 1.2168 1.2168 2.7230 2.7230 2.7230 2.7230 5.1219 5.1219 5.1221 5.1221 10.1712 10.1712 10.1716 10.1716 14.4638 14.4638 14.4649 14.4649 k = 0.5000 0.8477 0.2632 ( 2256 PWs) bands (ev): -11.3815 -11.3815 -11.3815 -11.3815 -8.8953 -8.8953 -8.8953 -8.8953 -3.5367 -3.5367 -3.5367 -3.5367 -0.1002 -0.1002 -0.0992 -0.0992 0.2146 0.2146 0.2156 0.2156 1.2244 1.2244 1.2245 1.2245 2.7042 2.7042 2.7042 2.7042 5.0843 5.0843 5.0845 5.0845 10.2225 10.2225 10.2229 10.2229 14.4056 14.4056 14.4067 14.4067 k = 0.5000 0.8545 0.2502 ( 2252 PWs) bands (ev): -11.3811 -11.3811 -11.3811 -11.3811 -8.9077 -8.9077 -8.9077 -8.9077 -3.5089 -3.5089 -3.5089 -3.5089 -0.0833 -0.0833 -0.0821 -0.0821 0.2058 0.2058 0.2071 0.2071 1.2329 1.2329 1.2330 1.2330 2.6839 2.6839 2.6839 2.6839 5.0443 5.0443 5.0446 5.0446 10.2773 10.2773 10.2777 10.2777 14.3486 14.3486 14.3497 14.3497 k = 0.5000 0.8545 0.2502 ( 2252 PWs) bands (ev): -11.3811 -11.3811 -11.3811 -11.3811 -8.9077 -8.9077 -8.9077 -8.9077 -3.5089 -3.5089 -3.5089 -3.5089 -0.0833 -0.0833 -0.0821 -0.0821 0.2058 0.2058 0.2071 0.2071 1.2329 1.2329 1.2330 1.2330 2.6839 2.6839 2.6839 2.6839 5.0443 5.0443 5.0446 5.0446 10.2773 10.2773 10.2777 10.2777 14.3486 14.3486 14.3497 14.3497 k = 0.5000 0.8515 0.2352 ( 2244 PWs) bands (ev): -11.3789 -11.3789 -11.3789 -11.3789 -8.9153 -8.9153 -8.9153 -8.9153 -3.4865 -3.4865 -3.4864 -3.4864 -0.0736 -0.0736 -0.0723 -0.0723 0.2028 0.2028 0.2042 0.2042 1.2395 1.2395 1.2396 1.2396 2.6657 2.6657 2.6657 2.6657 4.9817 4.9817 4.9820 4.9820 10.3347 10.3347 10.3351 10.3351 14.2939 14.2939 14.2949 14.2949 k = 0.5000 0.8485 0.2202 ( 2246 PWs) bands (ev): -11.3768 -11.3768 -11.3768 -11.3768 -8.9229 -8.9229 -8.9229 -8.9229 -3.4632 -3.4632 -3.4632 -3.4632 -0.0641 -0.0641 -0.0627 -0.0627 0.2020 0.2020 0.2035 0.2035 1.2465 1.2465 1.2466 1.2466 2.6466 2.6466 2.6466 2.6466 4.9146 4.9146 4.9150 4.9150 10.3954 10.3954 10.3959 10.3959 14.2399 14.2399 14.2410 14.2410 k = 0.5000 0.8454 0.2052 ( 2248 PWs) bands (ev): -11.3750 -11.3750 -11.3750 -11.3750 -8.9306 -8.9306 -8.9306 -8.9306 -3.4393 -3.4393 -3.4392 -3.4392 -0.0557 -0.0557 -0.0541 -0.0541 0.2041 0.2041 0.2058 0.2058 1.2538 1.2538 1.2540 1.2540 2.6267 2.6267 2.6267 2.6267 4.8438 4.8438 4.8441 4.8441 10.4592 10.4592 10.4597 10.4597 14.1869 14.1869 14.1880 14.1880 k = 0.5000 0.8424 0.1901 ( 2250 PWs) bands (ev): -11.3732 -11.3732 -11.3732 -11.3732 -8.9382 -8.9382 -8.9382 -8.9382 -3.4148 -3.4148 -3.4147 -3.4147 -0.0490 -0.0490 -0.0474 -0.0474 0.2101 0.2101 0.2119 0.2119 1.2614 1.2614 1.2616 1.2616 2.6062 2.6062 2.6063 2.6063 4.7695 4.7695 4.7699 4.7699 10.5257 10.5257 10.5262 10.5262 14.1348 14.1348 14.1359 14.1359 k = 0.5000 0.8394 0.1751 ( 2250 PWs) bands (ev): -11.3716 -11.3716 -11.3716 -11.3716 -8.9458 -8.9458 -8.9458 -8.9458 -3.3899 -3.3899 -3.3898 -3.3898 -0.0448 -0.0448 -0.0431 -0.0431 0.2205 0.2205 0.2223 0.2223 1.2693 1.2693 1.2695 1.2695 2.5852 2.5852 2.5853 2.5853 4.6924 4.6924 4.6928 4.6928 10.5945 10.5945 10.5950 10.5950 14.0838 14.0838 14.0850 14.0850 k = 0.5000 0.8364 0.1601 ( 2256 PWs) bands (ev): -11.3702 -11.3702 -11.3702 -11.3702 -8.9533 -8.9533 -8.9533 -8.9533 -3.3646 -3.3646 -3.3645 -3.3645 -0.0434 -0.0434 -0.0417 -0.0417 0.2355 0.2355 0.2374 0.2374 1.2773 1.2773 1.2776 1.2776 2.5639 2.5639 2.5640 2.5640 4.6129 4.6129 4.6133 4.6133 10.6652 10.6652 10.6657 10.6657 14.0338 14.0338 14.0350 14.0350 k = 0.5000 0.8334 0.1450 ( 2256 PWs) bands (ev): -11.3689 -11.3689 -11.3688 -11.3688 -8.9606 -8.9606 -8.9606 -8.9606 -3.3391 -3.3391 -3.3390 -3.3390 -0.0448 -0.0448 -0.0431 -0.0431 0.2554 0.2554 0.2573 0.2573 1.2855 1.2855 1.2859 1.2859 2.5423 2.5423 2.5425 2.5425 4.5316 4.5316 4.5320 4.5320 10.7376 10.7376 10.7381 10.7381 13.9847 13.9847 13.9859 13.9859 k = 0.5000 0.8303 0.1300 ( 2262 PWs) bands (ev): -11.3677 -11.3677 -11.3677 -11.3677 -8.9678 -8.9678 -8.9678 -8.9678 -3.3136 -3.3136 -3.3135 -3.3135 -0.0487 -0.0487 -0.0471 -0.0471 0.2794 0.2794 0.2813 0.2813 1.2938 1.2938 1.2942 1.2942 2.5206 2.5206 2.5208 2.5208 4.4488 4.4488 4.4492 4.4492 10.8113 10.8113 10.8118 10.8118 13.9365 13.9365 13.9377 13.9377 k = 0.5000 0.8273 0.1150 ( 2260 PWs) bands (ev): -11.3666 -11.3666 -11.3666 -11.3666 -8.9748 -8.9748 -8.9748 -8.9748 -3.2881 -3.2881 -3.2880 -3.2880 -0.0548 -0.0548 -0.0531 -0.0531 0.3073 0.3073 0.3092 0.3092 1.3021 1.3021 1.3025 1.3025 2.4990 2.4990 2.4992 2.4992 4.3652 4.3652 4.3656 4.3656 10.8860 10.8860 10.8865 10.8865 13.8890 13.8890 13.8903 13.8903 k = 0.5000 0.8243 0.1000 ( 2262 PWs) bands (ev): -11.3657 -11.3657 -11.3656 -11.3656 -8.9816 -8.9816 -8.9816 -8.9816 -3.2629 -3.2629 -3.2628 -3.2628 -0.0624 -0.0624 -0.0609 -0.0609 0.3384 0.3384 0.3402 0.3402 1.3104 1.3104 1.3109 1.3109 2.4775 2.4775 2.4778 2.4778 4.2810 4.2810 4.2814 4.2814 10.9615 10.9615 10.9620 10.9620 13.8422 13.8422 13.8436 13.8436 k = 0.5000 0.8213 0.0849 ( 2254 PWs) bands (ev): -11.3648 -11.3648 -11.3648 -11.3648 -8.9881 -8.9881 -8.9881 -8.9881 -3.2380 -3.2380 -3.2379 -3.2379 -0.0712 -0.0712 -0.0697 -0.0697 0.3720 0.3720 0.3738 0.3738 1.3186 1.3186 1.3191 1.3191 2.4565 2.4565 2.4569 2.4569 4.1970 4.1970 4.1974 4.1974 11.0373 11.0373 11.0378 11.0378 13.7959 13.7959 13.7973 13.7973 k = 0.5000 0.8182 0.0699 ( 2258 PWs) bands (ev): -11.3641 -11.3641 -11.3641 -11.3641 -8.9944 -8.9944 -8.9944 -8.9944 -3.2136 -3.2136 -3.2135 -3.2135 -0.0809 -0.0809 -0.0795 -0.0795 0.4077 0.4077 0.4095 0.4095 1.3266 1.3266 1.3272 1.3272 2.4359 2.4359 2.4363 2.4363 4.1134 4.1134 4.1138 4.1138 11.1134 11.1134 11.1138 11.1138 13.7500 13.7500 13.7515 13.7515 k = 0.5000 0.8152 0.0549 ( 2256 PWs) bands (ev): -11.3634 -11.3634 -11.3634 -11.3634 -9.0004 -9.0004 -9.0004 -9.0004 -3.1899 -3.1899 -3.1897 -3.1897 -0.0911 -0.0911 -0.0897 -0.0897 0.4450 0.4450 0.4468 0.4468 1.3344 1.3344 1.3350 1.3350 2.4161 2.4161 2.4165 2.4165 4.0309 4.0309 4.0312 4.0312 11.1892 11.1892 11.1897 11.1897 13.7043 13.7043 13.7059 13.7059 k = 0.5000 0.8122 0.0399 ( 2260 PWs) bands (ev): -11.3629 -11.3629 -11.3629 -11.3629 -9.0061 -9.0061 -9.0061 -9.0061 -3.1670 -3.1670 -3.1668 -3.1668 -0.1015 -0.1015 -0.1001 -0.1001 0.4833 0.4833 0.4851 0.4851 1.3420 1.3420 1.3425 1.3425 2.3970 2.3970 2.3975 2.3975 3.9497 3.9497 3.9501 3.9501 11.2645 11.2645 11.2649 11.2649 13.6588 13.6588 13.6605 13.6605 k = 0.5000 0.8092 0.0248 ( 2262 PWs) bands (ev): -11.3624 -11.3624 -11.3624 -11.3624 -9.0114 -9.0114 -9.0114 -9.0114 -3.1450 -3.1450 -3.1448 -3.1448 -0.1119 -0.1119 -0.1106 -0.1106 0.5222 0.5222 0.5240 0.5240 1.3491 1.3491 1.3497 1.3497 2.3789 2.3789 2.3795 2.3795 3.8708 3.8708 3.8711 3.8711 11.3388 11.3388 11.3393 11.3393 13.6135 13.6135 13.6151 13.6151 k = 0.5000 0.8061 0.0098 ( 2254 PWs) bands (ev): -11.3620 -11.3620 -11.3620 -11.3620 -9.0164 -9.0164 -9.0164 -9.0164 -3.1241 -3.1241 -3.1239 -3.1239 -0.1221 -0.1221 -0.1208 -0.1208 0.5611 0.5611 0.5630 0.5630 1.3559 1.3559 1.3565 1.3565 2.3620 2.3620 2.3627 2.3627 3.7944 3.7944 3.7948 3.7948 11.4120 11.4120 11.4124 11.4124 13.5683 13.5683 13.5700 13.5700 k = 0.5000 0.8031-0.0052 ( 2258 PWs) bands (ev): -11.3616 -11.3616 -11.3616 -11.3616 -9.0210 -9.0210 -9.0210 -9.0210 -3.1044 -3.1044 -3.1042 -3.1042 -0.1320 -0.1320 -0.1307 -0.1307 0.5996 0.5996 0.6015 0.6015 1.3622 1.3622 1.3628 1.3628 2.3463 2.3463 2.3471 2.3471 3.7212 3.7212 3.7215 3.7215 11.4832 11.4832 11.4836 11.4836 13.5233 13.5233 13.5251 13.5251 k = 0.5000 0.8001-0.0203 ( 2254 PWs) bands (ev): -11.3613 -11.3613 -11.3613 -11.3613 -9.0252 -9.0252 -9.0252 -9.0252 -3.0861 -3.0861 -3.0859 -3.0859 -0.1414 -0.1414 -0.1401 -0.1401 0.6370 0.6370 0.6390 0.6390 1.3680 1.3680 1.3686 1.3686 2.3320 2.3320 2.3329 2.3329 3.6519 3.6519 3.6522 3.6522 11.5522 11.5522 11.5526 11.5526 13.4789 13.4789 13.4807 13.4807 k = 0.5000 0.7971-0.0353 ( 2254 PWs) bands (ev): -11.3611 -11.3611 -11.3611 -11.3611 -9.0290 -9.0290 -9.0290 -9.0290 -3.0694 -3.0694 -3.0691 -3.0691 -0.1501 -0.1501 -0.1489 -0.1489 0.6729 0.6729 0.6750 0.6750 1.3732 1.3732 1.3738 1.3738 2.3192 2.3192 2.3202 2.3202 3.5870 3.5870 3.5873 3.5873 11.6182 11.6182 11.6185 11.6185 13.4353 13.4353 13.4372 13.4372 k = 0.5000 0.7940-0.0503 ( 2252 PWs) bands (ev): -11.3609 -11.3609 -11.3609 -11.3609 -9.0324 -9.0324 -9.0324 -9.0324 -3.0542 -3.0542 -3.0540 -3.0540 -0.1581 -0.1581 -0.1569 -0.1569 0.7067 0.7067 0.7088 0.7088 1.3778 1.3778 1.3784 1.3784 2.3080 2.3080 2.3091 2.3091 3.5273 3.5273 3.5276 3.5276 11.6805 11.6805 11.6807 11.6807 13.3932 13.3932 13.3952 13.3952 k = 0.5000 0.7910-0.0653 ( 2256 PWs) bands (ev): -11.3607 -11.3607 -11.3607 -11.3607 -9.0353 -9.0353 -9.0353 -9.0353 -3.0409 -3.0409 -3.0406 -3.0406 -0.1653 -0.1653 -0.1641 -0.1641 0.7376 0.7376 0.7398 0.7398 1.3817 1.3817 1.3823 1.3823 2.2983 2.2983 2.2995 2.2995 3.4735 3.4735 3.4737 3.4737 11.7380 11.7380 11.7383 11.7383 13.3532 13.3532 13.3552 13.3552 k = 0.5000 0.7880-0.0804 ( 2258 PWs) bands (ev): -11.3606 -11.3606 -11.3606 -11.3606 -9.0379 -9.0379 -9.0379 -9.0379 -3.0293 -3.0293 -3.0291 -3.0291 -0.1715 -0.1715 -0.1703 -0.1703 0.7652 0.7652 0.7675 0.7675 1.3850 1.3850 1.3855 1.3855 2.2903 2.2903 2.2916 2.2916 3.4263 3.4263 3.4265 3.4265 11.7899 11.7899 11.7901 11.7901 13.3163 13.3163 13.3184 13.3184 k = 0.5000 0.7850-0.0954 ( 2256 PWs) bands (ev): -11.3605 -11.3605 -11.3605 -11.3605 -9.0399 -9.0399 -9.0399 -9.0399 -3.0198 -3.0198 -3.0196 -3.0196 -0.1767 -0.1767 -0.1755 -0.1755 0.7888 0.7888 0.7911 0.7911 1.3876 1.3876 1.3882 1.3882 2.2839 2.2839 2.2852 2.2852 3.3864 3.3864 3.3866 3.3866 11.8349 11.8349 11.8350 11.8350 13.2836 13.2836 13.2858 13.2858 k = 0.5000 0.7819-0.1104 ( 2254 PWs) bands (ev): -11.3605 -11.3605 -11.3604 -11.3604 -9.0416 -9.0416 -9.0416 -9.0416 -3.0123 -3.0123 -3.0120 -3.0120 -0.1808 -0.1808 -0.1796 -0.1796 0.8078 0.8078 0.8102 0.8102 1.3897 1.3897 1.3902 1.3902 2.2790 2.2790 2.2804 2.2804 3.3546 3.3546 3.3548 3.3548 11.8718 11.8718 11.8719 11.8719 13.2564 13.2564 13.2586 13.2586 k = 0.5000 0.7789-0.1255 ( 2260 PWs) bands (ev): -11.3604 -11.3604 -11.3604 -11.3604 -9.0427 -9.0427 -9.0427 -9.0427 -3.0069 -3.0069 -3.0066 -3.0066 -0.1838 -0.1838 -0.1826 -0.1826 0.8218 0.8218 0.8242 0.8242 1.3911 1.3911 1.3915 1.3915 2.2755 2.2755 2.2770 2.2770 3.3314 3.3314 3.3316 3.3316 11.8993 11.8993 11.8993 11.8993 13.2358 13.2358 13.2380 13.2380 k = 0.5000 0.7759-0.1405 ( 2264 PWs) bands (ev): -11.3604 -11.3604 -11.3604 -11.3604 -9.0434 -9.0434 -9.0434 -9.0434 -3.0036 -3.0036 -3.0034 -3.0034 -0.1856 -0.1856 -0.1844 -0.1844 0.8303 0.8303 0.8328 0.8328 1.3919 1.3919 1.3923 1.3923 2.2735 2.2735 2.2750 2.2750 3.3173 3.3173 3.3174 3.3174 11.9163 11.9163 11.9163 11.9163 13.2229 13.2229 13.2252 13.2252 k = 0.5000 0.7729-0.1555 ( 2264 PWs) bands (ev): -11.3604 -11.3604 -11.3604 -11.3604 -9.0437 -9.0437 -9.0437 -9.0437 -3.0025 -3.0025 -3.0023 -3.0023 -0.1862 -0.1862 -0.1850 -0.1850 0.8332 0.8332 0.8357 0.8357 1.3921 1.3921 1.3926 1.3926 2.2728 2.2728 2.2744 2.2744 3.3125 3.3125 3.3126 3.3126 11.9220 11.9220 11.9220 11.9220 13.2185 13.2185 13.2208 13.2208 k = 0.5000 0.7729-0.1555 ( 2264 PWs) bands (ev): -11.3604 -11.3604 -11.3604 -11.3604 -9.0437 -9.0437 -9.0437 -9.0437 -3.0025 -3.0025 -3.0023 -3.0023 -0.1862 -0.1862 -0.1850 -0.1850 0.8332 0.8332 0.8357 0.8357 1.3921 1.3921 1.3926 1.3926 2.2728 2.2728 2.2744 2.2744 3.3125 3.3125 3.3126 3.3126 11.9220 11.9220 11.9220 11.9220 13.2185 13.2185 13.2208 13.2208 k = 0.4848 0.7729-0.1555 ( 2264 PWs) bands (ev): -11.3607 -11.3607 -11.3606 -11.3606 -9.0429 -9.0429 -9.0429 -9.0429 -3.0038 -3.0038 -3.0036 -3.0036 -0.1855 -0.1855 -0.1843 -0.1843 0.8318 0.8318 0.8344 0.8344 1.3910 1.3910 1.3915 1.3915 2.2745 2.2745 2.2760 2.2760 3.3151 3.3151 3.3152 3.3152 11.9101 11.9101 11.9102 11.9102 13.2282 13.2282 13.2305 13.2305 k = 0.4697 0.7729-0.1555 ( 2260 PWs) bands (ev): -11.3615 -11.3615 -11.3615 -11.3615 -9.0408 -9.0408 -9.0408 -9.0408 -3.0078 -3.0078 -3.0075 -3.0075 -0.1835 -0.1835 -0.1823 -0.1823 0.8279 0.8279 0.8304 0.8304 1.3876 1.3876 1.3881 1.3881 2.2795 2.2795 2.2810 2.2810 3.3229 3.3229 3.3230 3.3230 11.8757 11.8757 11.8757 11.8757 13.2563 13.2563 13.2586 13.2586 k = 0.4545 0.7729-0.1555 ( 2258 PWs) bands (ev): -11.3629 -11.3629 -11.3629 -11.3629 -9.0372 -9.0372 -9.0372 -9.0372 -3.0143 -3.0143 -3.0141 -3.0141 -0.1802 -0.1802 -0.1790 -0.1790 0.8215 0.8215 0.8240 0.8240 1.3821 1.3821 1.3826 1.3826 2.2877 2.2877 2.2891 2.2891 3.3357 3.3357 3.3358 3.3358 11.8215 11.8215 11.8216 11.8216 13.2998 13.2998 13.3021 13.3021 k = 0.4394 0.7729-0.1555 ( 2260 PWs) bands (ev): -11.3649 -11.3649 -11.3649 -11.3649 -9.0323 -9.0323 -9.0323 -9.0323 -3.0233 -3.0233 -3.0231 -3.0231 -0.1756 -0.1756 -0.1745 -0.1745 0.8126 0.8126 0.8151 0.8151 1.3746 1.3746 1.3752 1.3752 2.2989 2.2989 2.3002 2.3002 3.3534 3.3534 3.3535 3.3535 11.7513 11.7513 11.7514 11.7514 13.3549 13.3549 13.3572 13.3572 k = 0.4242 0.7729-0.1555 ( 2258 PWs) bands (ev): -11.3674 -11.3674 -11.3674 -11.3674 -9.0260 -9.0260 -9.0260 -9.0260 -3.0348 -3.0348 -3.0345 -3.0345 -0.1700 -0.1700 -0.1689 -0.1689 0.8016 0.8016 0.8040 0.8040 1.3654 1.3654 1.3660 1.3660 2.3128 2.3128 2.3140 2.3140 3.3758 3.3758 3.3758 3.3758 11.6686 11.6686 11.6687 11.6687 13.4182 13.4182 13.4204 13.4204 k = 0.4091 0.7729-0.1555 ( 2256 PWs) bands (ev): -11.3704 -11.3704 -11.3704 -11.3704 -9.0184 -9.0184 -9.0184 -9.0184 -3.0485 -3.0485 -3.0483 -3.0483 -0.1634 -0.1634 -0.1623 -0.1623 0.7886 0.7886 0.7910 0.7910 1.3547 1.3547 1.3554 1.3554 2.3292 2.3292 2.3303 2.3303 3.4026 3.4026 3.4026 3.4026 11.5765 11.5765 11.5767 11.5767 13.4864 13.4864 13.4886 13.4886 k = 0.3939 0.7729-0.1555 ( 2254 PWs) bands (ev): -11.3738 -11.3738 -11.3738 -11.3738 -9.0096 -9.0096 -9.0096 -9.0096 -3.0643 -3.0643 -3.0641 -3.0641 -0.1559 -0.1559 -0.1548 -0.1548 0.7739 0.7739 0.7763 0.7763 1.3430 1.3430 1.3437 1.3437 2.3476 2.3476 2.3486 2.3486 3.4334 3.4334 3.4334 3.4334 11.4775 11.4775 11.4777 11.4777 13.5573 13.5573 13.5594 13.5594 k = 0.3788 0.7729-0.1555 ( 2258 PWs) bands (ev): -11.3777 -11.3777 -11.3777 -11.3777 -8.9997 -8.9997 -8.9997 -8.9997 -3.0822 -3.0822 -3.0819 -3.0819 -0.1477 -0.1477 -0.1466 -0.1466 0.7577 0.7577 0.7601 0.7601 1.3304 1.3304 1.3312 1.3312 2.3678 2.3678 2.3686 2.3686 3.4680 3.4680 3.4681 3.4681 11.3734 11.3734 11.3736 11.3736 13.6288 13.6288 13.6310 13.6310 k = 0.3636 0.7729-0.1555 ( 2256 PWs) bands (ev): -11.3820 -11.3820 -11.3819 -11.3819 -8.9888 -8.9888 -8.9888 -8.9888 -3.1017 -3.1017 -3.1015 -3.1015 -0.1389 -0.1389 -0.1379 -0.1379 0.7404 0.7404 0.7427 0.7427 1.3174 1.3174 1.3182 1.3182 2.3894 2.3894 2.3901 2.3901 3.5060 3.5060 3.5061 3.5061 11.2658 11.2658 11.2660 11.2660 13.6999 13.6999 13.7020 13.7020 k = 0.3485 0.7729-0.1555 ( 2258 PWs) bands (ev): -11.3865 -11.3865 -11.3865 -11.3865 -8.9769 -8.9769 -8.9769 -8.9769 -3.1229 -3.1229 -3.1227 -3.1227 -0.1298 -0.1298 -0.1288 -0.1288 0.7222 0.7222 0.7244 0.7244 1.3042 1.3042 1.3050 1.3050 2.4120 2.4120 2.4126 2.4126 3.5471 3.5471 3.5472 3.5472 11.1558 11.1558 11.1560 11.1560 13.7697 13.7697 13.7718 13.7718 k = 0.3333 0.7729-0.1555 ( 2256 PWs) bands (ev): -11.3914 -11.3914 -11.3914 -11.3914 -8.9641 -8.9641 -8.9641 -8.9641 -3.1454 -3.1454 -3.1452 -3.1452 -0.1206 -0.1206 -0.1196 -0.1196 0.7033 0.7033 0.7054 0.7054 1.2911 1.2911 1.2920 1.2920 2.4354 2.4354 2.4359 2.4359 3.5909 3.5909 3.5911 3.5911 11.0444 11.0444 11.0446 11.0446 13.8378 13.8378 13.8398 13.8398 k = 0.3182 0.7729-0.1555 ( 2260 PWs) bands (ev): -11.3965 -11.3965 -11.3965 -11.3965 -8.9507 -8.9507 -8.9507 -8.9507 -3.1691 -3.1691 -3.1689 -3.1689 -0.1113 -0.1113 -0.1103 -0.1103 0.6839 0.6839 0.6860 0.6860 1.2784 1.2784 1.2793 1.2793 2.4591 2.4591 2.4595 2.4595 3.6370 3.6370 3.6372 3.6372 10.9324 10.9324 10.9326 10.9326 13.9041 13.9041 13.9060 13.9060 k = 0.3030 0.7729-0.1555 ( 2258 PWs) bands (ev): -11.4018 -11.4018 -11.4018 -11.4018 -8.9366 -8.9366 -8.9366 -8.9366 -3.1936 -3.1936 -3.1935 -3.1935 -0.1021 -0.1021 -0.1012 -0.1012 0.6644 0.6644 0.6664 0.6664 1.2663 1.2663 1.2671 1.2671 2.4830 2.4830 2.4833 2.4833 3.6851 3.6851 3.6854 3.6854 10.8205 10.8205 10.8207 10.8207 13.9690 13.9690 13.9708 13.9708 k = 0.2879 0.7729-0.1555 ( 2260 PWs) bands (ev): -11.4072 -11.4072 -11.4072 -11.4072 -8.9220 -8.9220 -8.9220 -8.9220 -3.2189 -3.2189 -3.2187 -3.2187 -0.0933 -0.0933 -0.0923 -0.0923 0.6448 0.6448 0.6467 0.6467 1.2550 1.2550 1.2558 1.2558 2.5068 2.5068 2.5070 2.5070 3.7348 3.7348 3.7351 3.7351 10.7093 10.7093 10.7095 10.7095 14.0327 14.0327 14.0344 14.0344 k = 0.2727 0.7729-0.1555 ( 2256 PWs) bands (ev): -11.4127 -11.4127 -11.4127 -11.4127 -8.9071 -8.9071 -8.9071 -8.9071 -3.2446 -3.2446 -3.2444 -3.2444 -0.0848 -0.0848 -0.0840 -0.0840 0.6255 0.6255 0.6273 0.6273 1.2446 1.2446 1.2455 1.2455 2.5301 2.5301 2.5303 2.5303 3.7857 3.7857 3.7860 3.7860 10.5994 10.5994 10.5996 10.5996 14.0960 14.0960 14.0976 14.0976 k = 0.2576 0.7729-0.1555 ( 2256 PWs) bands (ev): -11.4182 -11.4182 -11.4182 -11.4182 -8.8920 -8.8920 -8.8920 -8.8920 -3.2705 -3.2705 -3.2704 -3.2704 -0.0770 -0.0770 -0.0761 -0.0761 0.6064 0.6064 0.6081 0.6081 1.2354 1.2354 1.2362 1.2362 2.5529 2.5529 2.5530 2.5530 3.8375 3.8375 3.8378 3.8378 10.4913 10.4913 10.4915 10.4915 14.1593 14.1593 14.1608 14.1608 k = 0.2424 0.7729-0.1555 ( 2256 PWs) bands (ev): -11.4237 -11.4237 -11.4237 -11.4237 -8.8767 -8.8767 -8.8767 -8.8767 -3.2964 -3.2964 -3.2963 -3.2963 -0.0697 -0.0697 -0.0689 -0.0689 0.5879 0.5879 0.5895 0.5895 1.2272 1.2272 1.2280 1.2280 2.5749 2.5749 2.5750 2.5750 3.8897 3.8897 3.8900 3.8900 10.3856 10.3856 10.3857 10.3857 14.2233 14.2233 14.2247 14.2247 k = 0.2273 0.7729-0.1555 ( 2252 PWs) bands (ev): -11.4292 -11.4292 -11.4292 -11.4292 -8.8615 -8.8615 -8.8615 -8.8615 -3.3221 -3.3221 -3.3220 -3.3220 -0.0631 -0.0631 -0.0624 -0.0624 0.5699 0.5699 0.5715 0.5715 1.2203 1.2203 1.2211 1.2211 2.5960 2.5960 2.5960 2.5960 3.9419 3.9419 3.9423 3.9423 10.2826 10.2826 10.2828 10.2828 14.2884 14.2884 14.2898 14.2898 k = 0.2121 0.7729-0.1555 ( 2250 PWs) bands (ev): -11.4345 -11.4345 -11.4345 -11.4345 -8.8465 -8.8465 -8.8465 -8.8465 -3.3473 -3.3473 -3.3472 -3.3472 -0.0573 -0.0573 -0.0566 -0.0566 0.5527 0.5527 0.5542 0.5542 1.2146 1.2146 1.2153 1.2153 2.6160 2.6160 2.6160 2.6160 3.9938 3.9938 3.9941 3.9941 10.1830 10.1830 10.1832 10.1832 14.3551 14.3551 14.3564 14.3564 k = 0.1970 0.7729-0.1555 ( 2250 PWs) bands (ev): -11.4397 -11.4397 -11.4396 -11.4396 -8.8319 -8.8319 -8.8318 -8.8318 -3.3718 -3.3718 -3.3717 -3.3717 -0.0522 -0.0522 -0.0516 -0.0516 0.5364 0.5364 0.5377 0.5377 1.2101 1.2101 1.2107 1.2107 2.6348 2.6348 2.6349 2.6349 4.0450 4.0450 4.0453 4.0453 10.0872 10.0872 10.0873 10.0873 14.4235 14.4235 14.4248 14.4248 k = 0.1818 0.7729-0.1555 ( 2248 PWs) bands (ev): -11.4446 -11.4446 -11.4446 -11.4446 -8.8176 -8.8176 -8.8176 -8.8176 -3.3955 -3.3955 -3.3954 -3.3954 -0.0479 -0.0479 -0.0473 -0.0473 0.5209 0.5209 0.5221 0.5221 1.2066 1.2066 1.2072 1.2072 2.6524 2.6524 2.6525 2.6525 4.0949 4.0949 4.0952 4.0952 9.9957 9.9957 9.9958 9.9958 14.4937 14.4937 14.4950 14.4950 k = 0.1667 0.7729-0.1555 ( 2248 PWs) bands (ev): -11.4493 -11.4493 -11.4493 -11.4493 -8.8040 -8.8040 -8.8040 -8.8040 -3.4180 -3.4180 -3.4180 -3.4180 -0.0442 -0.0442 -0.0437 -0.0437 0.5064 0.5064 0.5075 0.5075 1.2042 1.2042 1.2047 1.2047 2.6687 2.6687 2.6688 2.6688 4.1431 4.1431 4.1434 4.1434 9.9089 9.9089 9.9091 9.9091 14.5657 14.5657 14.5669 14.5669 k = 0.1515 0.7729-0.1555 ( 2244 PWs) bands (ev): -11.4537 -11.4537 -11.4537 -11.4537 -8.7910 -8.7910 -8.7910 -8.7910 -3.4393 -3.4393 -3.4393 -3.4393 -0.0412 -0.0412 -0.0407 -0.0407 0.4930 0.4930 0.4940 0.4940 1.2026 1.2026 1.2031 1.2031 2.6836 2.6836 2.6837 2.6837 4.1893 4.1893 4.1896 4.1896 9.8275 9.8275 9.8277 9.8277 14.6390 14.6390 14.6403 14.6403 k = 0.1364 0.7729-0.1555 ( 2240 PWs) bands (ev): -11.4578 -11.4578 -11.4578 -11.4578 -8.7789 -8.7789 -8.7789 -8.7789 -3.4592 -3.4592 -3.4591 -3.4591 -0.0388 -0.0388 -0.0384 -0.0384 0.4807 0.4807 0.4816 0.4816 1.2018 1.2018 1.2022 1.2022 2.6971 2.6971 2.6972 2.6972 4.2329 4.2329 4.2331 4.2331 9.7519 9.7519 9.7520 9.7520 14.7130 14.7130 14.7143 14.7143 k = 0.1212 0.7729-0.1555 ( 2244 PWs) bands (ev): -11.4616 -11.4616 -11.4616 -11.4616 -8.7677 -8.7677 -8.7677 -8.7677 -3.4775 -3.4775 -3.4774 -3.4774 -0.0370 -0.0370 -0.0366 -0.0366 0.4696 0.4696 0.4704 0.4704 1.2015 1.2015 1.2020 1.2020 2.7091 2.7091 2.7092 2.7092 4.2735 4.2735 4.2737 4.2737 9.6826 9.6826 9.6827 9.6827 14.7866 14.7866 14.7878 14.7878 k = 0.1061 0.7729-0.1555 ( 2242 PWs) bands (ev): -11.4650 -11.4650 -11.4650 -11.4650 -8.7576 -8.7576 -8.7576 -8.7576 -3.4939 -3.4939 -3.4939 -3.4939 -0.0355 -0.0355 -0.0352 -0.0352 0.4597 0.4597 0.4604 0.4604 1.2018 1.2018 1.2021 1.2021 2.7197 2.7197 2.7198 2.7198 4.3106 4.3106 4.3108 4.3108 9.6200 9.6200 9.6201 9.6201 14.8582 14.8582 14.8594 14.8594 k = 0.0909 0.7729-0.1555 ( 2244 PWs) bands (ev): -11.4679 -11.4679 -11.4679 -11.4679 -8.7486 -8.7486 -8.7486 -8.7486 -3.5085 -3.5085 -3.5084 -3.5084 -0.0345 -0.0345 -0.0342 -0.0342 0.4511 0.4511 0.4516 0.4516 1.2023 1.2023 1.2026 1.2026 2.7289 2.7289 2.7290 2.7290 4.3438 4.3438 4.3440 4.3440 9.5647 9.5647 9.5648 9.5648 14.9256 14.9256 14.9267 14.9267 k = 0.0758 0.7729-0.1555 ( 2244 PWs) bands (ev): -11.4705 -11.4705 -11.4705 -11.4705 -8.7408 -8.7408 -8.7408 -8.7408 -3.5210 -3.5210 -3.5210 -3.5210 -0.0337 -0.0337 -0.0335 -0.0335 0.4437 0.4437 0.4442 0.4442 1.2031 1.2031 1.2033 1.2033 2.7366 2.7366 2.7367 2.7367 4.3727 4.3727 4.3729 4.3729 9.5170 9.5170 9.5171 9.5171 14.9862 14.9862 14.9873 14.9873 k = 0.0606 0.7729-0.1555 ( 2246 PWs) bands (ev): -11.4726 -11.4726 -11.4726 -11.4726 -8.7344 -8.7344 -8.7344 -8.7344 -3.5314 -3.5314 -3.5314 -3.5314 -0.0332 -0.0332 -0.0330 -0.0330 0.4377 0.4377 0.4380 0.4380 1.2039 1.2039 1.2041 1.2041 2.7429 2.7429 2.7430 2.7430 4.3969 4.3969 4.3971 4.3971 9.4775 9.4775 9.4775 9.4775 15.0375 15.0375 15.0385 15.0385 k = 0.0455 0.7729-0.1555 ( 2242 PWs) bands (ev): -11.4743 -11.4743 -11.4743 -11.4743 -8.7293 -8.7293 -8.7293 -8.7293 -3.5396 -3.5396 -3.5396 -3.5396 -0.0329 -0.0329 -0.0327 -0.0327 0.4330 0.4330 0.4332 0.4332 1.2046 1.2046 1.2048 1.2048 2.7479 2.7479 2.7479 2.7479 4.4162 4.4162 4.4163 4.4163 9.4463 9.4463 9.4464 9.4464 15.0779 15.0779 15.0787 15.0787 k = 0.0303 0.7729-0.1555 ( 2236 PWs) bands (ev): -11.4755 -11.4755 -11.4755 -11.4755 -8.7256 -8.7256 -8.7256 -8.7256 -3.5455 -3.5455 -3.5455 -3.5455 -0.0326 -0.0326 -0.0325 -0.0325 0.4296 0.4296 0.4298 0.4298 1.2052 1.2052 1.2053 1.2053 2.7514 2.7514 2.7514 2.7514 4.4301 4.4301 4.4302 4.4302 9.4238 9.4238 9.4239 9.4239 15.1066 15.1066 15.1071 15.1071 k = 0.0152 0.7729-0.1555 ( 2232 PWs) bands (ev): -11.4762 -11.4762 -11.4762 -11.4762 -8.7234 -8.7234 -8.7234 -8.7234 -3.5490 -3.5490 -3.5490 -3.5490 -0.0325 -0.0325 -0.0325 -0.0325 0.4276 0.4276 0.4277 0.4277 1.2056 1.2056 1.2057 1.2057 2.7535 2.7535 2.7535 2.7535 4.4386 4.4386 4.4386 4.4386 9.4103 9.4103 9.4103 9.4103 15.1237 15.1237 15.1239 15.1239 k = 0.0000 0.7729-0.1555 ( 2234 PWs) bands (ev): -11.4764 -11.4764 -11.4764 -11.4764 -8.7227 -8.7227 -8.7227 -8.7227 -3.5502 -3.5502 -3.5502 -3.5502 -0.0324 -0.0324 -0.0324 -0.0324 0.4270 0.4270 0.4270 0.4270 1.2058 1.2058 1.2058 1.2058 2.7542 2.7542 2.7542 2.7542 4.4414 4.4414 4.4414 4.4414 9.4057 9.4057 9.4057 9.4057 15.1293 15.1293 15.1293 15.1293 k = 0.0000 0.7729-0.1555 ( 2234 PWs) bands (ev): -11.4764 -11.4764 -11.4764 -11.4764 -8.7227 -8.7227 -8.7227 -8.7227 -3.5502 -3.5502 -3.5502 -3.5502 -0.0324 -0.0324 -0.0324 -0.0324 0.4270 0.4270 0.4270 0.4270 1.2058 1.2058 1.2058 1.2058 2.7542 2.7542 2.7542 2.7542 4.4414 4.4414 4.4414 4.4414 9.4057 9.4057 9.4057 9.4057 15.1293 15.1293 15.1293 15.1293 k = 0.0000 0.7759-0.1405 ( 2234 PWs) bands (ev): -11.4920 -11.4920 -11.4606 -11.4606 -8.7316 -8.7316 -8.7139 -8.7139 -3.5519 -3.5519 -3.5476 -3.5476 -0.0532 -0.0532 -0.0222 -0.0222 0.3821 0.3821 0.4725 0.4725 1.1648 1.1648 1.2543 1.2543 2.7359 2.7359 2.7768 2.7768 4.3770 4.3770 4.5051 4.5051 9.3419 9.3419 9.4735 9.4735 15.0634 15.0634 15.1880 15.1880 k = 0.0000 0.7789-0.1255 ( 2240 PWs) bands (ev): -11.5072 -11.5072 -11.4446 -11.4446 -8.7409 -8.7409 -8.7053 -8.7053 -3.5528 -3.5528 -3.5441 -3.5441 -0.0845 -0.0845 -0.0217 -0.0217 0.3401 0.3401 0.5152 0.5152 1.1342 1.1342 1.3085 1.3085 2.7219 2.7219 2.8033 2.8033 4.3122 4.3122 4.5677 4.5677 9.2823 9.2823 9.5450 9.5450 14.9920 14.9920 15.2368 15.2368 k = 0.0000 0.7819-0.1104 ( 2240 PWs) bands (ev): -11.5221 -11.5221 -11.4282 -11.4282 -8.7502 -8.7502 -8.6970 -8.6970 -3.5528 -3.5528 -3.5398 -3.5398 -0.1254 -0.1254 -0.0299 -0.0299 0.3016 0.3016 0.5499 0.5499 1.1178 1.1178 1.3670 1.3670 2.7125 2.7125 2.8337 2.8337 4.2472 4.2472 4.6289 4.6289 9.2274 9.2274 9.6198 9.6198 14.9165 14.9165 15.2732 15.2732 k = 0.0000 0.7850-0.0954 ( 2239 PWs) bands (ev): -11.5368 -11.5368 -11.4115 -11.4115 -8.7598 -8.7598 -8.6890 -8.6890 -3.5518 -3.5518 -3.5346 -3.5346 -0.1743 -0.1743 -0.0458 -0.0458 0.2661 0.2661 0.5717 0.5717 1.1195 1.1195 1.4291 1.4291 2.7074 2.7074 2.8675 2.8675 4.1824 4.1824 4.6885 4.6885 9.1774 9.1774 9.6976 9.6976 14.8376 14.8376 15.2956 15.2956 k = 0.0000 0.7880-0.0804 ( 2241 PWs) bands (ev): -11.5511 -11.5511 -11.3946 -11.3946 -8.7696 -8.7696 -8.6812 -8.6812 -3.5500 -3.5500 -3.5285 -3.5285 -0.2293 -0.2293 -0.0681 -0.0681 0.2326 0.2326 0.5771 0.5771 1.1418 1.1418 1.4939 1.4939 2.7068 2.7068 2.9045 2.9045 4.1180 4.1180 4.7459 4.7459 9.1326 9.1326 9.7781 9.7781 14.7562 14.7562 15.3045 15.3045 k = 0.0000 0.7910-0.0653 ( 2245 PWs) bands (ev): -11.5652 -11.5652 -11.3774 -11.3774 -8.7795 -8.7795 -8.6737 -8.6737 -3.5473 -3.5473 -3.5216 -3.5216 -0.2885 -0.2885 -0.0960 -0.0960 0.2000 0.2000 0.5664 0.5664 1.1833 1.1833 1.5611 1.5611 2.7103 2.7103 2.9443 2.9443 4.0543 4.0543 4.8009 4.8009 9.0934 9.0934 9.8611 9.8611 14.6726 14.6726 15.3026 15.3026 k = 0.0000 0.7940-0.0503 ( 2241 PWs) bands (ev): -11.5791 -11.5791 -11.3600 -11.3600 -8.7896 -8.7896 -8.6664 -8.6664 -3.5437 -3.5437 -3.5139 -3.5139 -0.3503 -0.3503 -0.1285 -0.1285 0.1674 0.1674 0.5427 0.5427 1.2402 1.2402 1.6303 1.6303 2.7180 2.7180 2.9864 2.9864 3.9915 3.9915 4.8532 4.8532 9.0600 9.0600 9.9462 9.9462 14.5873 14.5873 15.2934 15.2934 k = 0.0000 0.7971-0.0353 ( 2243 PWs) bands (ev): -11.5926 -11.5926 -11.3423 -11.3423 -8.7998 -8.7998 -8.6594 -8.6594 -3.5393 -3.5393 -3.5054 -3.5054 -0.4134 -0.4134 -0.1647 -0.1647 0.1343 0.1343 0.5097 0.5097 1.3083 1.3083 1.7010 1.7010 2.7294 2.7294 3.0306 3.0306 3.9298 3.9298 4.9023 4.9023 9.0328 9.0328 10.0332 10.0332 14.5003 14.5003 15.2798 15.2798 k = 0.0000 0.8001-0.0203 ( 2242 PWs) bands (ev): -11.6059 -11.6059 -11.3244 -11.3244 -8.8101 -8.8101 -8.6527 -8.6527 -3.5340 -3.5340 -3.4961 -3.4961 -0.4771 -0.4771 -0.2040 -0.2040 0.1003 0.1003 0.4701 0.4701 1.3841 1.3841 1.7730 1.7730 2.7443 2.7443 3.0764 3.0764 3.8695 3.8695 4.9480 4.9480 9.0119 9.0119 10.1217 10.1217 14.4121 14.4121 15.2639 15.2639 k = 0.0000 0.8031-0.0052 ( 2241 PWs) bands (ev): -11.6190 -11.6190 -11.3062 -11.3062 -8.8206 -8.8206 -8.6464 -8.6464 -3.5278 -3.5278 -3.4859 -3.4859 -0.5406 -0.5406 -0.2456 -0.2456 0.0653 0.0653 0.4261 0.4261 1.4652 1.4652 1.8461 1.8461 2.7625 2.7625 3.1233 3.1233 3.8109 3.8109 4.9899 4.9899 8.9976 8.9976 10.2116 10.2116 14.3228 14.3228 15.2471 15.2471 k = 0.0000 0.8061 0.0098 ( 2241 PWs) bands (ev): -11.6318 -11.6318 -11.2879 -11.2879 -8.8311 -8.8311 -8.6403 -8.6403 -3.5208 -3.5208 -3.4751 -3.4751 -0.6033 -0.6033 -0.2891 -0.2891 0.0292 0.0292 0.3788 0.3788 1.5499 1.5499 1.9198 1.9198 2.7836 2.7836 3.1708 3.1708 3.7544 3.7544 5.0279 5.0279 8.9901 8.9901 10.3024 10.3024 14.2325 14.2325 15.2305 15.2305 k = 0.0000 0.8092 0.0248 ( 2235 PWs) bands (ev): -11.6444 -11.6444 -11.2694 -11.2694 -8.8417 -8.8417 -8.6345 -8.6345 -3.5129 -3.5129 -3.4635 -3.4635 -0.6648 -0.6648 -0.3337 -0.3337 -0.0079 -0.0079 0.3293 0.3293 1.6370 1.6370 1.9939 1.9939 2.8073 2.8073 3.2183 3.2183 3.7004 3.7004 5.0616 5.0616 8.9893 8.9893 10.3939 10.3939 14.1415 14.1415 15.2145 15.2145 k = 0.0000 0.8122 0.0399 ( 2238 PWs) bands (ev): -11.6568 -11.6568 -11.2507 -11.2507 -8.8523 -8.8523 -8.6291 -8.6291 -3.5042 -3.5042 -3.4512 -3.4512 -0.7249 -0.7249 -0.3792 -0.3792 -0.0459 -0.0459 0.2780 0.2780 1.7256 1.7256 2.0683 2.0683 2.8332 2.8332 3.2647 3.2647 3.6498 3.6498 5.0908 5.0908 8.9954 8.9954 10.4859 10.4859 14.0497 14.0497 15.1997 15.1997 k = 0.0000 0.8152 0.0549 ( 2237 PWs) bands (ev): -11.6689 -11.6689 -11.2319 -11.2319 -8.8629 -8.8629 -8.6240 -8.6240 -3.4947 -3.4947 -3.4382 -3.4382 -0.7833 -0.7833 -0.4251 -0.4251 -0.0847 -0.0847 0.2256 0.2256 1.8151 1.8151 2.1427 2.1427 2.8612 2.8612 3.3084 3.3084 3.6042 3.6042 5.1156 5.1156 9.0083 9.0083 10.5780 10.5780 13.9575 13.9575 15.1862 15.1862 k = 0.0000 0.8182 0.0699 ( 2236 PWs) bands (ev): -11.6809 -11.6809 -11.2130 -11.2130 -8.8736 -8.8736 -8.6192 -8.6192 -3.4845 -3.4845 -3.4245 -3.4245 -0.8398 -0.8398 -0.4711 -0.4711 -0.1241 -0.1241 0.1722 0.1722 1.9050 1.9050 2.2170 2.2170 2.8909 2.8909 3.3456 3.3456 3.5670 3.5670 5.1357 5.1357 9.0279 9.0279 10.6700 10.6700 13.8648 13.8648 15.1744 15.1744 k = 0.0000 0.8213 0.0849 ( 2236 PWs) bands (ev): -11.6926 -11.6926 -11.1941 -11.1941 -8.8842 -8.8842 -8.6148 -8.6148 -3.4735 -3.4735 -3.4103 -3.4103 -0.8942 -0.8942 -0.5168 -0.5168 -0.1639 -0.1639 0.1181 0.1181 1.9946 1.9946 2.2909 2.2909 2.9220 2.9220 3.3680 3.3680 3.5465 3.5465 5.1511 5.1511 9.0540 9.0540 10.7615 10.7615 13.7717 13.7717 15.1643 15.1643 k = 0.0000 0.8243 0.1000 ( 2242 PWs) bands (ev): -11.7042 -11.7042 -11.1751 -11.1751 -8.8948 -8.8948 -8.6108 -8.6108 -3.4617 -3.4617 -3.3954 -3.3954 -0.9464 -0.9464 -0.5621 -0.5621 -0.2041 -0.2041 0.0637 0.0637 2.0837 2.0837 2.3641 2.3641 2.9544 2.9544 3.3664 3.3664 3.5519 3.5519 5.1620 5.1620 9.0863 9.0863 10.8523 10.8523 13.6786 13.6786 15.1558 15.1558 k = 0.0000 0.8273 0.1150 ( 2244 PWs) bands (ev): -11.7156 -11.7156 -11.1561 -11.1561 -8.9053 -8.9053 -8.6070 -8.6070 -3.4493 -3.4493 -3.3801 -3.3801 -0.9962 -0.9962 -0.6066 -0.6066 -0.2444 -0.2444 0.0091 0.0091 2.1719 2.1719 2.4366 2.4366 2.9877 2.9877 3.3445 3.3445 3.5792 3.5792 5.1684 5.1684 9.1245 9.1245 10.9420 10.9420 13.5854 13.5854 15.1492 15.1492 k = 0.0000 0.8303 0.1300 ( 2244 PWs) bands (ev): -11.7268 -11.7268 -11.1372 -11.1372 -8.9157 -8.9157 -8.6037 -8.6037 -3.4362 -3.4362 -3.3642 -3.3642 -1.0436 -1.0436 -0.6501 -0.6501 -0.2847 -0.2847 -0.0455 -0.0455 2.2587 2.2587 2.5081 2.5081 3.0220 3.0220 3.3137 3.3137 3.6170 3.6170 5.1705 5.1705 9.1682 9.1682 11.0304 11.0304 13.4922 13.4922 15.1442 15.1442 k = 0.0000 0.8334 0.1450 ( 2250 PWs) bands (ev): -11.7379 -11.7379 -11.1183 -11.1183 -8.9260 -8.9260 -8.6007 -8.6007 -3.4225 -3.4225 -3.3479 -3.3479 -1.0884 -1.0884 -0.6925 -0.6925 -0.3248 -0.3248 -0.0999 -0.0999 2.3438 2.3438 2.5784 2.5784 3.0568 3.0568 3.2804 3.2804 3.6587 3.6587 5.1684 5.1684 9.2167 9.2167 11.1171 11.1171 13.3992 13.3992 15.1409 15.1409 k = 0.0000 0.8364 0.1601 ( 2244 PWs) bands (ev): -11.7488 -11.7488 -11.0996 -11.0996 -8.9360 -8.9360 -8.5981 -8.5981 -3.4082 -3.4082 -3.3312 -3.3312 -1.1307 -1.1307 -0.7336 -0.7336 -0.3644 -0.3644 -0.1539 -0.1539 2.4268 2.4268 2.6473 2.6473 3.0923 3.0923 3.2472 3.2472 3.7016 3.7016 5.1625 5.1625 9.2697 9.2697 11.2018 11.2018 13.3065 13.3065 15.1392 15.1392 k = 0.0000 0.8394 0.1751 ( 2245 PWs) bands (ev): -11.7595 -11.7595 -11.0810 -11.0810 -8.9459 -8.9459 -8.5958 -8.5958 -3.3934 -3.3934 -3.3142 -3.3142 -1.1702 -1.1702 -0.7732 -0.7732 -0.4037 -0.4037 -0.2075 -0.2075 2.5073 2.5073 2.7147 2.7147 3.1283 3.1283 3.2154 3.2154 3.7443 3.7443 5.1529 5.1529 9.3265 9.3265 11.2842 11.2842 13.2144 13.2144 15.1390 15.1390 k = 0.0000 0.8424 0.1901 ( 2248 PWs) bands (ev): -11.7701 -11.7701 -11.0627 -11.0627 -8.9555 -8.9555 -8.5940 -8.5940 -3.3782 -3.3782 -3.2970 -3.2970 -1.2069 -1.2069 -0.8113 -0.8113 -0.4423 -0.4423 -0.2604 -0.2604 2.5850 2.5850 2.7803 2.7803 3.1646 3.1646 3.1855 3.1855 3.7861 3.7861 5.1400 5.1400 9.3864 9.3864 11.3639 11.3639 13.1229 13.1229 15.1402 15.1402 k = 0.0000 0.8454 0.2052 ( 2246 PWs) bands (ev): -11.7806 -11.7806 -11.0446 -11.0446 -8.9648 -8.9648 -8.5925 -8.5925 -3.3625 -3.3625 -3.2796 -3.2796 -1.2408 -1.2408 -0.8476 -0.8476 -0.4801 -0.4801 -0.3126 -0.3126 2.6592 2.6592 2.8440 2.8440 3.1580 3.1580 3.2013 3.2013 3.8267 3.8267 5.1242 5.1242 9.4487 9.4487 11.4407 11.4407 13.0324 13.0324 15.1425 15.1425 k = 0.0000 0.8485 0.2202 ( 2241 PWs) bands (ev): -11.7909 -11.7909 -11.0269 -11.0269 -8.9738 -8.9738 -8.5914 -8.5914 -3.3465 -3.3465 -3.2621 -3.2621 -1.2718 -1.2718 -0.8820 -0.8820 -0.5170 -0.5170 -0.3638 -0.3638 2.7297 2.7297 2.9057 2.9057 3.1329 3.1329 3.2383 3.2383 3.8658 3.8658 5.1056 5.1056 9.5127 9.5127 11.5141 11.5141 12.9432 12.9432 15.0788 15.0788 k = 0.0000 0.8515 0.2352 ( 2238 PWs) bands (ev): -11.8011 -11.8011 -11.0095 -11.0095 -8.9824 -8.9824 -8.5907 -8.5907 -3.3303 -3.3303 -3.2447 -3.2447 -1.2998 -1.2998 -0.9145 -0.9145 -0.5528 -0.5528 -0.4140 -0.4140 2.7959 2.7959 2.9649 2.9649 3.1106 3.1106 3.2755 3.2755 3.9032 3.9032 5.0848 5.0848 9.5774 9.5774 11.5838 11.5838 12.8556 12.8556 15.0178 15.0178 k = 0.0000 0.8545 0.2502 ( 2241 PWs) bands (ev): -11.8111 -11.8111 -10.9926 -10.9926 -8.9906 -8.9906 -8.5903 -8.5903 -3.3139 -3.3139 -3.2274 -3.2274 -1.3248 -1.3248 -0.9450 -0.9450 -0.5874 -0.5874 -0.4630 -0.4630 2.8574 2.8574 3.0210 3.0210 3.0915 3.0915 3.3127 3.3127 3.9385 3.9385 5.0620 5.0620 9.6420 9.6420 11.6494 11.6494 12.7701 12.7701 14.9611 14.9611 k = 0.5000 0.6912 0.5613 ( 2252 PWs) bands (ev): -11.3811 -11.3811 -11.3811 -11.3811 -8.9077 -8.9077 -8.9077 -8.9077 -3.5089 -3.5089 -3.5089 -3.5089 -0.0833 -0.0833 -0.0821 -0.0821 0.2058 0.2058 0.2071 0.2071 1.2329 1.2329 1.2330 1.2330 2.6839 2.6839 2.6839 2.6839 5.0443 5.0443 5.0446 5.0446 10.2773 10.2773 10.2777 10.2777 14.3486 14.3486 14.3497 14.3497 k = 0.5000 0.6759 0.5613 ( 2250 PWs) bands (ev): -11.3842 -11.3842 -11.3842 -11.3842 -8.9178 -8.9178 -8.9178 -8.9178 -3.4932 -3.4932 -3.4932 -3.4932 -0.0673 -0.0673 -0.0659 -0.0659 0.1978 0.1978 0.1992 0.1992 1.2390 1.2390 1.2390 1.2390 2.6746 2.6746 2.6746 2.6746 5.0624 5.0624 5.0627 5.0627 10.2925 10.2925 10.2929 10.2929 14.3343 14.3343 14.3354 14.3354 k = 0.5000 0.6605 0.5613 ( 2250 PWs) bands (ev): -11.3883 -11.3883 -11.3883 -11.3883 -8.9283 -8.9283 -8.9283 -8.9283 -3.4771 -3.4771 -3.4771 -3.4771 -0.0487 -0.0487 -0.0471 -0.0471 0.1908 0.1908 0.1926 0.1926 1.2454 1.2454 1.2454 1.2454 2.6650 2.6650 2.6650 2.6650 5.0809 5.0809 5.0812 5.0812 10.3103 10.3103 10.3107 10.3107 14.3202 14.3202 14.3212 14.3212 k = 0.5000 0.6451 0.5613 ( 2252 PWs) bands (ev): -11.3933 -11.3933 -11.3933 -11.3933 -8.9392 -8.9392 -8.9392 -8.9392 -3.4606 -3.4606 -3.4606 -3.4606 -0.0283 -0.0283 -0.0264 -0.0264 0.1859 0.1859 0.1879 0.1879 1.2523 1.2523 1.2523 1.2523 2.6552 2.6552 2.6552 2.6552 5.0996 5.0996 5.0998 5.0998 10.3306 10.3306 10.3310 10.3310 14.3062 14.3062 14.3071 14.3071 k = 0.5000 0.6298 0.5613 ( 2246 PWs) bands (ev): -11.3992 -11.3992 -11.3992 -11.3992 -8.9504 -8.9504 -8.9504 -8.9504 -3.4438 -3.4438 -3.4438 -3.4438 -0.0075 -0.0075 -0.0053 -0.0053 0.1845 0.1845 0.1868 0.1868 1.2596 1.2596 1.2596 1.2596 2.6452 2.6452 2.6452 2.6452 5.1184 5.1184 5.1187 5.1187 10.3534 10.3534 10.3538 10.3538 14.2923 14.2923 14.2932 14.2932 k = 0.5000 0.6144 0.5613 ( 2250 PWs) bands (ev): -11.4060 -11.4060 -11.4060 -11.4060 -8.9619 -8.9619 -8.9619 -8.9619 -3.4267 -3.4267 -3.4267 -3.4267 0.0115 0.0115 0.0140 0.0140 0.1886 0.1886 0.1913 0.1913 1.2671 1.2671 1.2672 1.2672 2.6350 2.6350 2.6350 2.6350 5.1373 5.1373 5.1375 5.1375 10.3788 10.3788 10.3791 10.3791 14.2784 14.2784 14.2792 14.2792 k = 0.5000 0.5991 0.5613 ( 2252 PWs) bands (ev): -11.4137 -11.4137 -11.4137 -11.4137 -8.9738 -8.9738 -8.9738 -8.9738 -3.4094 -3.4094 -3.4094 -3.4094 0.0263 0.0263 0.0289 0.0289 0.2011 0.2011 0.2038 0.2038 1.2749 1.2749 1.2751 1.2751 2.6247 2.6247 2.6247 2.6247 5.1560 5.1560 5.1562 5.1562 10.4067 10.4067 10.4070 10.4070 14.2645 14.2645 14.2652 14.2652 k = 0.5000 0.5837 0.5613 ( 2256 PWs) bands (ev): -11.4221 -11.4221 -11.4221 -11.4221 -8.9859 -8.9859 -8.9859 -8.9859 -3.3921 -3.3921 -3.3920 -3.3920 0.0351 0.0351 0.0375 0.0375 0.2237 0.2237 0.2264 0.2264 1.2830 1.2830 1.2832 1.2832 2.6142 2.6142 2.6142 2.6142 5.1745 5.1745 5.1746 5.1746 10.4370 10.4370 10.4374 10.4374 14.2504 14.2504 14.2510 14.2510 k = 0.5000 0.5683 0.5613 ( 2256 PWs) bands (ev): -11.4313 -11.4313 -11.4313 -11.4313 -8.9983 -8.9983 -8.9983 -8.9983 -3.3746 -3.3746 -3.3746 -3.3746 0.0378 0.0378 0.0400 0.0400 0.2564 0.2564 0.2588 0.2588 1.2913 1.2913 1.2916 1.2916 2.6037 2.6037 2.6037 2.6037 5.1926 5.1926 5.1928 5.1928 10.4699 10.4699 10.4703 10.4703 14.2362 14.2362 14.2367 14.2367 k = 0.5000 0.5530 0.5613 ( 2256 PWs) bands (ev): -11.4411 -11.4411 -11.4411 -11.4411 -9.0108 -9.0108 -9.0108 -9.0108 -3.3571 -3.3571 -3.3570 -3.3570 0.0361 0.0361 0.0379 0.0379 0.2974 0.2974 0.2994 0.2994 1.2998 1.2998 1.3001 1.3001 2.5931 2.5931 2.5931 2.5931 5.2103 5.2103 5.2105 5.2105 10.5051 10.5051 10.5055 10.5055 14.2217 14.2217 14.2221 14.2221 k = 0.5000 0.5376 0.5613 ( 2252 PWs) bands (ev): -11.4516 -11.4516 -11.4516 -11.4516 -9.0236 -9.0236 -9.0236 -9.0236 -3.3396 -3.3396 -3.3395 -3.3395 0.0314 0.0314 0.0329 0.0329 0.3451 0.3451 0.3469 0.3469 1.3085 1.3085 1.3088 1.3088 2.5824 2.5824 2.5825 2.5825 5.2275 5.2275 5.2276 5.2276 10.5427 10.5427 10.5431 10.5431 14.2068 14.2068 14.2071 14.2071 k = 0.5000 0.5223 0.5613 ( 2250 PWs) bands (ev): -11.4626 -11.4626 -11.4626 -11.4626 -9.0365 -9.0365 -9.0365 -9.0365 -3.3222 -3.3222 -3.3221 -3.3221 0.0249 0.0249 0.0262 0.0262 0.3982 0.3982 0.3998 0.3998 1.3173 1.3173 1.3176 1.3176 2.5718 2.5718 2.5719 2.5719 5.2439 5.2439 5.2440 5.2440 10.5825 10.5825 10.5828 10.5828 14.1915 14.1915 14.1917 14.1917 k = 0.5000 0.5069 0.5613 ( 2246 PWs) bands (ev): -11.4741 -11.4741 -11.4741 -11.4741 -9.0495 -9.0495 -9.0495 -9.0495 -3.3049 -3.3049 -3.3048 -3.3048 0.0174 0.0174 0.0185 0.0185 0.4560 0.4560 0.4573 0.4573 1.3262 1.3262 1.3266 1.3266 2.5613 2.5613 2.5614 2.5614 5.2594 5.2594 5.2595 5.2595 10.6244 10.6244 10.6247 10.6247 14.1756 14.1756 14.1757 14.1757 k = 0.5000 0.4915 0.5613 ( 2246 PWs) bands (ev): -11.4861 -11.4861 -11.4861 -11.4861 -9.0626 -9.0626 -9.0626 -9.0626 -3.2878 -3.2878 -3.2878 -3.2878 0.0094 0.0094 0.0103 0.0103 0.5178 0.5178 0.5190 0.5190 1.3352 1.3352 1.3357 1.3357 2.5508 2.5508 2.5509 2.5509 5.2740 5.2740 5.2741 5.2741 10.6682 10.6682 10.6686 10.6686 14.1591 14.1591 14.1591 14.1591 k = 0.5000 0.4762 0.5613 ( 2250 PWs) bands (ev): -11.4984 -11.4984 -11.4984 -11.4984 -9.0758 -9.0758 -9.0758 -9.0758 -3.2710 -3.2710 -3.2709 -3.2709 0.0010 0.0010 0.0018 0.0018 0.5832 0.5832 0.5843 0.5843 1.3444 1.3444 1.3449 1.3449 2.5403 2.5403 2.5405 2.5405 5.2873 5.2873 5.2874 5.2874 10.7139 10.7139 10.7143 10.7143 14.1416 14.1416 14.1418 14.1418 k = 0.5000 0.4608 0.5613 ( 2248 PWs) bands (ev): -11.5111 -11.5111 -11.5111 -11.5111 -9.0889 -9.0889 -9.0889 -9.0889 -3.2545 -3.2545 -3.2544 -3.2544 -0.0074 -0.0074 -0.0067 -0.0067 0.6519 0.6519 0.6529 0.6529 1.3537 1.3537 1.3543 1.3543 2.5301 2.5301 2.5302 2.5302 5.2994 5.2994 5.2995 5.2995 10.7613 10.7613 10.7616 10.7616 14.1233 14.1233 14.1235 14.1235 k = 0.5000 0.4455 0.5613 ( 2250 PWs) bands (ev): -11.5241 -11.5241 -11.5240 -11.5240 -9.1021 -9.1021 -9.1021 -9.1021 -3.2383 -3.2383 -3.2382 -3.2382 -0.0157 -0.0157 -0.0151 -0.0151 0.7236 0.7236 0.7245 0.7245 1.3633 1.3633 1.3639 1.3639 2.5200 2.5200 2.5202 2.5202 5.3101 5.3101 5.3102 5.3102 10.8101 10.8101 10.8104 10.8104 14.1038 14.1038 14.1042 14.1042 k = 0.5000 0.4301 0.5613 ( 2250 PWs) bands (ev): -11.5372 -11.5372 -11.5372 -11.5372 -9.1152 -9.1152 -9.1152 -9.1152 -3.2224 -3.2224 -3.2223 -3.2223 -0.0238 -0.0238 -0.0233 -0.0233 0.7978 0.7978 0.7987 0.7987 1.3732 1.3732 1.3740 1.3740 2.5101 2.5101 2.5103 2.5103 5.3191 5.3191 5.3192 5.3192 10.8602 10.8602 10.8605 10.8605 14.0831 14.0831 14.0836 14.0836 k = 0.5000 0.4147 0.5613 ( 2250 PWs) bands (ev): -11.5504 -11.5504 -11.5504 -11.5504 -9.1283 -9.1283 -9.1283 -9.1283 -3.2070 -3.2070 -3.2069 -3.2069 -0.0317 -0.0317 -0.0313 -0.0313 0.8743 0.8743 0.8751 0.8751 1.3836 1.3836 1.3845 1.3845 2.5004 2.5004 2.5007 2.5007 5.3264 5.3264 5.3265 5.3265 10.9114 10.9114 10.9117 10.9117 14.0607 14.0607 14.0613 14.0613 k = 0.5000 0.3994 0.5613 ( 2252 PWs) bands (ev): -11.5638 -11.5638 -11.5638 -11.5638 -9.1412 -9.1412 -9.1412 -9.1412 -3.1921 -3.1921 -3.1920 -3.1920 -0.0393 -0.0393 -0.0390 -0.0390 0.9524 0.9524 0.9533 0.9533 1.3948 1.3948 1.3958 1.3958 2.4911 2.4911 2.4914 2.4914 5.3317 5.3317 5.3318 5.3318 10.9634 10.9634 10.9637 10.9637 14.0365 14.0365 14.0372 14.0372 k = 0.5000 0.3840 0.5613 ( 2252 PWs) bands (ev): -11.5771 -11.5771 -11.5771 -11.5771 -9.1540 -9.1540 -9.1540 -9.1540 -3.1776 -3.1776 -3.1775 -3.1775 -0.0466 -0.0466 -0.0463 -0.0463 1.0314 1.0314 1.0324 1.0324 1.4073 1.4073 1.4085 1.4085 2.4820 2.4820 2.4824 2.4824 5.3349 5.3349 5.3350 5.3350 11.0160 11.0160 11.0163 11.0163 14.0099 14.0099 14.0107 14.0107 k = 0.5000 0.3687 0.5613 ( 2248 PWs) bands (ev): -11.5905 -11.5905 -11.5904 -11.5904 -9.1666 -9.1666 -9.1666 -9.1666 -3.1637 -3.1637 -3.1635 -3.1635 -0.0535 -0.0535 -0.0533 -0.0533 1.1100 1.1100 1.1111 1.1111 1.4223 1.4223 1.4237 1.4237 2.4734 2.4734 2.4738 2.4738 5.3360 5.3360 5.3360 5.3360 11.0690 11.0690 11.0693 11.0693 13.9806 13.9806 13.9815 13.9815 k = 0.5000 0.3533 0.5613 ( 2248 PWs) bands (ev): -11.6037 -11.6037 -11.6037 -11.6037 -9.1790 -9.1790 -9.1790 -9.1790 -3.1503 -3.1503 -3.1501 -3.1501 -0.0601 -0.0601 -0.0599 -0.0599 1.1859 1.1859 1.1871 1.1871 1.4417 1.4417 1.4435 1.4435 2.4651 2.4651 2.4657 2.4657 5.3345 5.3345 5.3345 5.3345 11.1220 11.1220 11.1223 11.1223 13.9479 13.9479 13.9490 13.9490 k = 0.5000 0.3379 0.5613 ( 2256 PWs) bands (ev): -11.6167 -11.6167 -11.6167 -11.6167 -9.1911 -9.1911 -9.1911 -9.1911 -3.1374 -3.1374 -3.1373 -3.1373 -0.0663 -0.0663 -0.0662 -0.0662 1.2546 1.2546 1.2561 1.2561 1.4698 1.4698 1.4719 1.4719 2.4574 2.4574 2.4581 2.4581 5.3303 5.3303 5.3304 5.3304 11.1749 11.1749 11.1752 11.1752 13.9115 13.9115 13.9125 13.9125 k = 0.5000 0.3226 0.5613 ( 2252 PWs) bands (ev): -11.6296 -11.6296 -11.6296 -11.6296 -9.2030 -9.2030 -9.2030 -9.2030 -3.1252 -3.1252 -3.1250 -3.1250 -0.0721 -0.0721 -0.0720 -0.0720 1.3101 1.3101 1.3117 1.3117 1.5124 1.5124 1.5148 1.5148 2.4503 2.4503 2.4511 2.4511 5.3234 5.3234 5.3235 5.3235 11.2274 11.2274 11.2277 11.2277 13.8708 13.8708 13.8720 13.8720 k = 0.5000 0.3072 0.5613 ( 2258 PWs) bands (ev): -11.6422 -11.6422 -11.6422 -11.6422 -9.2145 -9.2145 -9.2145 -9.2145 -3.1135 -3.1135 -3.1134 -3.1134 -0.0775 -0.0775 -0.0775 -0.0775 1.3490 1.3490 1.3504 1.3504 1.5728 1.5728 1.5752 1.5752 2.4438 2.4438 2.4448 2.4448 5.3137 5.3137 5.3137 5.3137 11.2792 11.2792 11.2795 11.2795 13.8258 13.8258 13.8270 13.8270 k = 0.5000 0.2918 0.5613 ( 2262 PWs) bands (ev): -11.6545 -11.6545 -11.6545 -11.6545 -9.2257 -9.2257 -9.2257 -9.2257 -3.1025 -3.1025 -3.1023 -3.1023 -0.0826 -0.0826 -0.0826 -0.0826 1.3746 1.3746 1.3756 1.3756 1.6472 1.6472 1.6495 1.6495 2.4383 2.4383 2.4394 2.4394 5.3009 5.3009 5.3010 5.3010 11.3302 11.3302 11.3305 11.3305 13.7765 13.7765 13.7776 13.7776 k = 0.5000 0.2765 0.5613 ( 2266 PWs) bands (ev): -11.6665 -11.6665 -11.6665 -11.6665 -9.2366 -9.2366 -9.2365 -9.2365 -3.0920 -3.0920 -3.0919 -3.0919 -0.0873 -0.0873 -0.0873 -0.0873 1.3921 1.3921 1.3929 1.3929 1.7295 1.7295 1.7318 1.7318 2.4338 2.4338 2.4352 2.4352 5.2850 5.2850 5.2851 5.2851 11.3800 11.3800 11.3804 11.3804 13.7233 13.7233 13.7243 13.7243 k = 0.5000 0.2611 0.5613 ( 2272 PWs) bands (ev): -11.6780 -11.6780 -11.6780 -11.6780 -9.2470 -9.2470 -9.2470 -9.2470 -3.0822 -3.0822 -3.0820 -3.0820 -0.0917 -0.0917 -0.0917 -0.0917 1.4052 1.4052 1.4057 1.4057 1.8154 1.8154 1.8179 1.8179 2.4309 2.4309 2.4325 2.4325 5.2660 5.2660 5.2660 5.2660 11.4287 11.4287 11.4290 11.4290 13.6666 13.6666 13.6677 13.6677 k = 0.5000 0.2458 0.5613 ( 2270 PWs) bands (ev): -11.6892 -11.6892 -11.6891 -11.6891 -9.2570 -9.2570 -9.2570 -9.2570 -3.0730 -3.0730 -3.0728 -3.0728 -0.0958 -0.0958 -0.0957 -0.0957 1.4156 1.4156 1.4160 1.4160 1.9023 1.9023 1.9050 1.9050 2.4300 2.4300 2.4321 2.4321 5.2438 5.2438 5.2439 5.2439 11.4761 11.4761 11.4764 11.4764 13.6073 13.6073 13.6083 13.6083 k = 0.5000 0.2304 0.5613 ( 2268 PWs) bands (ev): -11.6998 -11.6998 -11.6998 -11.6998 -9.2665 -9.2665 -9.2665 -9.2665 -3.0644 -3.0644 -3.0642 -3.0642 -0.0995 -0.0995 -0.0993 -0.0993 1.4244 1.4244 1.4247 1.4247 1.9877 1.9877 1.9908 1.9908 2.4323 2.4323 2.4349 2.4349 5.2185 5.2185 5.2186 5.2186 11.5220 11.5220 11.5223 11.5223 13.5460 13.5460 13.5470 13.5470 k = 0.5000 0.2150 0.5613 ( 2268 PWs) bands (ev): -11.7099 -11.7099 -11.7099 -11.7099 -9.2755 -9.2755 -9.2755 -9.2755 -3.0564 -3.0564 -3.0562 -3.0562 -0.1028 -0.1028 -0.1027 -0.1027 1.4320 1.4320 1.4322 1.4322 2.0689 2.0689 2.0726 2.0726 2.4397 2.4397 2.4429 2.4429 5.1901 5.1901 5.1902 5.1902 11.5665 11.5665 11.5668 11.5668 13.4835 13.4835 13.4844 13.4844 k = 0.5000 0.1997 0.5613 ( 2268 PWs) bands (ev): -11.7195 -11.7195 -11.7195 -11.7195 -9.2841 -9.2841 -9.2841 -9.2841 -3.0491 -3.0491 -3.0489 -3.0489 -0.1059 -0.1059 -0.1057 -0.1057 1.4387 1.4387 1.4388 1.4388 2.1418 2.1418 2.1462 2.1462 2.4554 2.4554 2.4593 2.4593 5.1588 5.1588 5.1588 5.1588 11.6094 11.6094 11.6098 11.6098 13.4203 13.4203 13.4212 13.4212 k = 0.5000 0.1843 0.5613 ( 2264 PWs) bands (ev): -11.7285 -11.7285 -11.7285 -11.7285 -9.2921 -9.2921 -9.2921 -9.2921 -3.0423 -3.0423 -3.0421 -3.0421 -0.1087 -0.1087 -0.1085 -0.1085 1.4447 1.4447 1.4447 1.4447 2.2016 2.2016 2.2065 2.2065 2.4840 2.4840 2.4886 2.4886 5.1248 5.1248 5.1249 5.1249 11.6509 11.6509 11.6513 11.6513 13.3571 13.3571 13.3580 13.3580 k = 0.5000 0.1690 0.5613 ( 2264 PWs) bands (ev): -11.7369 -11.7369 -11.7369 -11.7369 -9.2995 -9.2995 -9.2995 -9.2995 -3.0361 -3.0361 -3.0359 -3.0359 -0.1112 -0.1112 -0.1110 -0.1110 1.4500 1.4500 1.4501 1.4501 2.2442 2.2442 2.2492 2.2492 2.5290 2.5290 2.5337 2.5337 5.0884 5.0884 5.0885 5.0885 11.6910 11.6910 11.6913 11.6913 13.2944 13.2944 13.2953 13.2953 k = 0.5000 0.1536 0.5613 ( 2268 PWs) bands (ev): -11.7447 -11.7447 -11.7447 -11.7447 -9.3064 -9.3064 -9.3064 -9.3064 -3.0305 -3.0305 -3.0303 -3.0303 -0.1134 -0.1134 -0.1132 -0.1132 1.4548 1.4548 1.4549 1.4549 2.2709 2.2709 2.2755 2.2755 2.5887 2.5887 2.5930 2.5930 5.0501 5.0501 5.0502 5.0502 11.7296 11.7296 11.7299 11.7299 13.2329 13.2329 13.2338 13.2338 k = 0.5000 0.1382 0.5613 ( 2266 PWs) bands (ev): -11.7518 -11.7518 -11.7517 -11.7517 -9.3127 -9.3127 -9.3127 -9.3127 -3.0254 -3.0254 -3.0252 -3.0252 -0.1154 -0.1154 -0.1152 -0.1152 1.4590 1.4590 1.4592 1.4592 2.2863 2.2863 2.2904 2.2904 2.6571 2.6571 2.6610 2.6610 5.0105 5.0105 5.0105 5.0105 11.7667 11.7667 11.7671 11.7671 13.1730 13.1730 13.1740 13.1740 k = 0.5000 0.1229 0.5613 ( 2268 PWs) bands (ev): -11.7582 -11.7582 -11.7582 -11.7582 -9.3183 -9.3183 -9.3183 -9.3183 -3.0210 -3.0210 -3.0208 -3.0208 -0.1172 -0.1172 -0.1169 -0.1169 1.4628 1.4628 1.4630 1.4630 2.2950 2.2950 2.2986 2.2986 2.7287 2.7287 2.7321 2.7321 4.9701 4.9701 4.9702 4.9702 11.8022 11.8022 11.8026 11.8026 13.1155 13.1155 13.1165 13.1165 k = 0.5000 0.1075 0.5613 ( 2264 PWs) bands (ev): -11.7639 -11.7639 -11.7639 -11.7639 -9.3234 -9.3234 -9.3234 -9.3234 -3.0170 -3.0170 -3.0168 -3.0168 -0.1187 -0.1187 -0.1184 -0.1184 1.4661 1.4661 1.4663 1.4663 2.2999 2.2999 2.3031 2.3031 2.7995 2.7995 2.8025 2.8025 4.9300 4.9300 4.9301 4.9301 11.8359 11.8359 11.8363 11.8363 13.0611 13.0611 13.0621 13.0621 k = 0.5000 0.0922 0.5613 ( 2264 PWs) bands (ev): -11.7688 -11.7688 -11.7688 -11.7688 -9.3277 -9.3277 -9.3277 -9.3277 -3.0137 -3.0137 -3.0135 -3.0135 -0.1200 -0.1200 -0.1197 -0.1197 1.4690 1.4690 1.4692 1.4692 2.3027 2.3027 2.3056 2.3056 2.8666 2.8666 2.8694 2.8694 4.8911 4.8911 4.8912 4.8912 11.8674 11.8674 11.8678 11.8678 13.0106 13.0106 13.0116 13.0116 k = 0.5000 0.0768 0.5613 ( 2268 PWs) bands (ev): -11.7731 -11.7731 -11.7731 -11.7731 -9.3315 -9.3315 -9.3315 -9.3315 -3.0108 -3.0108 -3.0106 -3.0106 -0.1211 -0.1211 -0.1208 -0.1208 1.4714 1.4714 1.4717 1.4717 2.3041 2.3041 2.3068 2.3068 2.9279 2.9279 2.9305 2.9305 4.8547 4.8547 4.8548 4.8548 11.8963 11.8963 11.8967 11.8967 12.9649 12.9649 12.9659 12.9659 k = 0.5000 0.0614 0.5613 ( 2274 PWs) bands (ev): -11.7766 -11.7766 -11.7766 -11.7766 -9.3346 -9.3346 -9.3346 -9.3346 -3.0086 -3.0086 -3.0083 -3.0083 -0.1220 -0.1220 -0.1217 -0.1217 1.4734 1.4734 1.4736 1.4736 2.3048 2.3048 2.3074 2.3074 2.9814 2.9814 2.9839 2.9839 4.8220 4.8220 4.8221 4.8221 11.9217 11.9217 11.9222 11.9222 12.9251 12.9251 12.9261 12.9261 k = 0.5000 0.0461 0.5613 ( 2274 PWs) bands (ev): -11.7793 -11.7793 -11.7793 -11.7793 -9.3369 -9.3369 -9.3369 -9.3369 -3.0068 -3.0068 -3.0066 -3.0066 -0.1226 -0.1226 -0.1224 -0.1224 1.4749 1.4749 1.4752 1.4752 2.3052 2.3052 2.3076 2.3076 3.0254 3.0254 3.0277 3.0277 4.7946 4.7946 4.7947 4.7947 11.9430 11.9430 11.9434 11.9434 12.8924 12.8924 12.8934 12.8934 k = 0.5000 0.0307 0.5613 ( 2272 PWs) bands (ev): -11.7812 -11.7812 -11.7812 -11.7812 -9.3387 -9.3387 -9.3387 -9.3387 -3.0055 -3.0055 -3.0053 -3.0053 -0.1231 -0.1231 -0.1228 -0.1228 1.4760 1.4760 1.4763 1.4763 2.3053 2.3053 2.3077 2.3077 3.0582 3.0582 3.0604 3.0604 4.7738 4.7738 4.7740 4.7740 11.9591 11.9591 11.9596 11.9596 12.8679 12.8679 12.8689 12.8689 k = 0.5000 0.0154 0.5613 ( 2274 PWs) bands (ev): -11.7824 -11.7824 -11.7824 -11.7824 -9.3397 -9.3397 -9.3397 -9.3397 -3.0047 -3.0047 -3.0045 -3.0045 -0.1234 -0.1234 -0.1231 -0.1231 1.4767 1.4767 1.4770 1.4770 2.3053 2.3053 2.3077 2.3077 3.0784 3.0784 3.0807 3.0807 4.7607 4.7607 4.7609 4.7609 11.9692 11.9692 11.9697 11.9697 12.8527 12.8527 12.8537 12.8537 k = 0.5000-0.0000 0.5613 ( 2276 PWs) bands (ev): -11.7828 -11.7828 -11.7828 -11.7828 -9.3400 -9.3400 -9.3400 -9.3400 -3.0045 -3.0045 -3.0043 -3.0043 -0.1235 -0.1235 -0.1232 -0.1232 1.4769 1.4769 1.4772 1.4772 2.3053 2.3053 2.3077 2.3077 3.0853 3.0853 3.0875 3.0875 4.7563 4.7563 4.7565 4.7565 11.9727 11.9727 11.9731 11.9731 12.8475 12.8475 12.8486 12.8486 k = 0.5000-0.0000 0.5613 ( 2276 PWs) bands (ev): -11.7828 -11.7828 -11.7828 -11.7828 -9.3400 -9.3400 -9.3400 -9.3400 -3.0045 -3.0045 -3.0043 -3.0043 -0.1235 -0.1235 -0.1232 -0.1232 1.4769 1.4769 1.4772 1.4772 2.3053 2.3053 2.3077 2.3077 3.0853 3.0853 3.0875 3.0875 4.7563 4.7563 4.7565 4.7565 11.9727 11.9727 11.9731 11.9731 12.8475 12.8475 12.8486 12.8486 k = 0.5000-0.0000 0.5457 ( 2270 PWs) bands (ev): -11.7833 -11.7833 -11.7833 -11.7833 -9.3391 -9.3391 -9.3391 -9.3391 -3.0058 -3.0058 -3.0056 -3.0056 -0.1223 -0.1223 -0.1220 -0.1220 1.4750 1.4750 1.4753 1.4753 2.3072 2.3072 2.3095 2.3095 3.0857 3.0857 3.0879 3.0879 4.7564 4.7564 4.7566 4.7566 11.9617 11.9617 11.9621 11.9621 12.8558 12.8558 12.8568 12.8568 k = 0.5000-0.0000 0.5301 ( 2272 PWs) bands (ev): -11.7846 -11.7846 -11.7846 -11.7846 -9.3362 -9.3362 -9.3362 -9.3362 -3.0098 -3.0098 -3.0096 -3.0096 -0.1187 -0.1187 -0.1185 -0.1185 1.4692 1.4692 1.4695 1.4695 2.3128 2.3128 2.3151 2.3151 3.0868 3.0868 3.0890 3.0890 4.7565 4.7565 4.7567 4.7567 11.9301 11.9301 11.9305 11.9305 12.8791 12.8791 12.8802 12.8802 k = 0.5000-0.0000 0.5145 ( 2272 PWs) bands (ev): -11.7869 -11.7869 -11.7869 -11.7869 -9.3315 -9.3315 -9.3315 -9.3315 -3.0165 -3.0165 -3.0163 -3.0163 -0.1129 -0.1129 -0.1126 -0.1126 1.4600 1.4600 1.4603 1.4603 2.3218 2.3218 2.3241 2.3241 3.0886 3.0886 3.0909 3.0909 4.7569 4.7569 4.7571 4.7571 11.8814 11.8814 11.8817 11.8817 12.9141 12.9141 12.9150 12.9150 k = 0.5000-0.0000 0.4989 ( 2272 PWs) bands (ev): -11.7900 -11.7900 -11.7900 -11.7900 -9.3249 -9.3249 -9.3249 -9.3249 -3.0258 -3.0258 -3.0256 -3.0256 -0.1048 -0.1048 -0.1045 -0.1045 1.4475 1.4475 1.4478 1.4478 2.3339 2.3339 2.3362 2.3362 3.0912 3.0912 3.0935 3.0935 4.7574 4.7574 4.7575 4.7575 11.8195 11.8195 11.8198 11.8198 12.9564 12.9564 12.9573 12.9573 k = 0.5000-0.0000 0.4833 ( 2270 PWs) bands (ev): -11.7940 -11.7940 -11.7940 -11.7940 -9.3165 -9.3165 -9.3165 -9.3165 -3.0375 -3.0375 -3.0372 -3.0372 -0.0946 -0.0946 -0.0943 -0.0943 1.4322 1.4322 1.4325 1.4325 2.3487 2.3487 2.3510 2.3510 3.0946 3.0946 3.0968 3.0968 4.7579 4.7579 4.7581 4.7581 11.7480 11.7480 11.7482 11.7482 13.0023 13.0023 13.0031 13.0031 k = 0.5000-0.0000 0.4677 ( 2270 PWs) bands (ev): -11.7988 -11.7988 -11.7988 -11.7988 -9.3064 -9.3064 -9.3064 -9.3064 -3.0515 -3.0515 -3.0513 -3.0513 -0.0824 -0.0824 -0.0822 -0.0822 1.4147 1.4147 1.4149 1.4149 2.3658 2.3658 2.3681 2.3681 3.0986 3.0986 3.1008 3.1008 4.7586 4.7586 4.7588 4.7588 11.6698 11.6698 11.6700 11.6700 13.0487 13.0487 13.0494 13.0494 k = 0.5000-0.0000 0.4521 ( 2268 PWs) bands (ev): -11.8043 -11.8043 -11.8043 -11.8043 -9.2947 -9.2947 -9.2947 -9.2947 -3.0678 -3.0678 -3.0676 -3.0676 -0.0685 -0.0685 -0.0682 -0.0682 1.3953 1.3953 1.3955 1.3955 2.3847 2.3847 2.3871 2.3871 3.1032 3.1032 3.1054 3.1054 4.7594 4.7594 4.7595 4.7595 11.5872 11.5872 11.5873 11.5873 13.0932 13.0932 13.0939 13.0939 k = 0.5000-0.0000 0.4366 ( 2266 PWs) bands (ev): -11.8105 -11.8105 -11.8105 -11.8105 -9.2815 -9.2815 -9.2815 -9.2815 -3.0860 -3.0860 -3.0858 -3.0858 -0.0529 -0.0529 -0.0527 -0.0527 1.3746 1.3746 1.3748 1.3748 2.4050 2.4050 2.4074 2.4074 3.1085 3.1085 3.1107 3.1107 4.7602 4.7602 4.7603 4.7603 11.5015 11.5015 11.5017 11.5017 13.1343 13.1343 13.1350 13.1350 k = 0.5000-0.0000 0.4210 ( 2268 PWs) bands (ev): -11.8173 -11.8173 -11.8173 -11.8173 -9.2668 -9.2668 -9.2668 -9.2668 -3.1062 -3.1062 -3.1060 -3.1060 -0.0360 -0.0360 -0.0357 -0.0357 1.3530 1.3530 1.3531 1.3531 2.4264 2.4264 2.4287 2.4287 3.1144 3.1144 3.1166 3.1166 4.7610 4.7610 4.7611 4.7611 11.4142 11.4142 11.4143 11.4143 13.1707 13.1707 13.1713 13.1713 k = 0.5000-0.0000 0.4054 ( 2270 PWs) bands (ev): -11.8247 -11.8247 -11.8247 -11.8247 -9.2508 -9.2508 -9.2508 -9.2508 -3.1281 -3.1281 -3.1279 -3.1279 -0.0179 -0.0179 -0.0177 -0.0177 1.3309 1.3309 1.3310 1.3310 2.4484 2.4484 2.4507 2.4507 3.1209 3.1209 3.1231 3.1231 4.7618 4.7618 4.7619 4.7619 11.3261 11.3261 11.3262 11.3262 13.2018 13.2018 13.2023 13.2023 k = 0.5000-0.0000 0.3898 ( 2274 PWs) bands (ev): -11.8325 -11.8325 -11.8325 -11.8325 -9.2336 -9.2336 -9.2336 -9.2336 -3.1514 -3.1514 -3.1513 -3.1513 0.0010 0.0010 0.0013 0.0013 1.3087 1.3087 1.3088 1.3088 2.4707 2.4707 2.4730 2.4730 3.1279 3.1279 3.1301 3.1301 4.7626 4.7626 4.7627 4.7627 11.2380 11.2380 11.2381 11.2381 13.2273 13.2273 13.2278 13.2278 k = 0.5000-0.0000 0.3742 ( 2278 PWs) bands (ev): -11.8408 -11.8408 -11.8408 -11.8408 -9.2153 -9.2153 -9.2153 -9.2153 -3.1761 -3.1761 -3.1759 -3.1759 0.0207 0.0207 0.0209 0.0209 1.2868 1.2868 1.2869 1.2869 2.4930 2.4930 2.4953 2.4953 3.1354 3.1354 3.1375 3.1375 4.7634 4.7634 4.7635 4.7635 11.1505 11.1505 11.1505 11.1505 13.2472 13.2472 13.2476 13.2476 k = 0.5000-0.0000 0.3586 ( 2278 PWs) bands (ev): -11.8494 -11.8494 -11.8494 -11.8494 -9.1962 -9.1962 -9.1962 -9.1962 -3.2018 -3.2018 -3.2016 -3.2016 0.0406 0.0406 0.0408 0.0408 1.2655 1.2655 1.2656 1.2656 2.5152 2.5152 2.5175 2.5175 3.1433 3.1433 3.1454 3.1454 4.7641 4.7641 4.7642 4.7642 11.0641 11.0641 11.0641 11.0641 13.2618 13.2618 13.2621 13.2621 k = 0.5000-0.0000 0.3430 ( 2280 PWs) bands (ev): -11.8582 -11.8582 -11.8582 -11.8582 -9.1762 -9.1762 -9.1762 -9.1762 -3.2284 -3.2284 -3.2282 -3.2282 0.0608 0.0608 0.0609 0.0609 1.2451 1.2451 1.2452 1.2452 2.5370 2.5370 2.5393 2.5393 3.1516 3.1516 3.1537 3.1537 4.7646 4.7646 4.7647 4.7647 10.9792 10.9792 10.9792 10.9792 13.2715 13.2715 13.2718 13.2718 k = 0.5000-0.0000 0.3274 ( 2274 PWs) bands (ev): -11.8672 -11.8672 -11.8672 -11.8672 -9.1557 -9.1557 -9.1557 -9.1557 -3.2556 -3.2556 -3.2555 -3.2555 0.0807 0.0807 0.0809 0.0809 1.2259 1.2259 1.2259 1.2259 2.5582 2.5582 2.5605 2.5605 3.1603 3.1603 3.1623 3.1623 4.7651 4.7651 4.7652 4.7652 10.8962 10.8962 10.8962 10.8962 13.2769 13.2769 13.2771 13.2771 k = 0.5000-0.0000 0.3118 ( 2270 PWs) bands (ev): -11.8764 -11.8764 -11.8763 -11.8763 -9.1347 -9.1347 -9.1347 -9.1347 -3.2833 -3.2833 -3.2832 -3.2832 0.1003 0.1003 0.1004 0.1004 1.2080 1.2080 1.2080 1.2080 2.5788 2.5788 2.5811 2.5811 3.1692 3.1692 3.1711 3.1711 4.7655 4.7655 4.7655 4.7655 10.8154 10.8154 10.8154 10.8154 13.2786 13.2786 13.2787 13.2787 k = 0.5000-0.0000 0.2962 ( 2266 PWs) bands (ev): -11.8855 -11.8855 -11.8855 -11.8855 -9.1134 -9.1134 -9.1134 -9.1134 -3.3113 -3.3113 -3.3111 -3.3111 0.1192 0.1192 0.1193 0.1193 1.1916 1.1916 1.1917 1.1917 2.5986 2.5986 2.6009 2.6009 3.1783 3.1783 3.1802 3.1802 4.7656 4.7656 4.7657 4.7657 10.7371 10.7371 10.7372 10.7372 13.2772 13.2772 13.2773 13.2773 k = 0.5000-0.0000 0.2806 ( 2260 PWs) bands (ev): -11.8946 -11.8946 -11.8946 -11.8946 -9.0919 -9.0919 -9.0919 -9.0919 -3.3392 -3.3392 -3.3391 -3.3391 0.1372 0.1372 0.1373 0.1373 1.1770 1.1770 1.1771 1.1771 2.6176 2.6176 2.6197 2.6197 3.1875 3.1875 3.1893 3.1893 4.7656 4.7656 4.7656 4.7656 10.6617 10.6617 10.6617 10.6617 13.2733 13.2733 13.2733 13.2733 k = 0.5000-0.0000 0.2651 ( 2262 PWs) bands (ev): -11.9037 -11.9037 -11.9036 -11.9036 -9.0704 -9.0704 -9.0704 -9.0704 -3.3671 -3.3671 -3.3669 -3.3669 0.1541 0.1541 0.1541 0.1541 1.1642 1.1642 1.1644 1.1644 2.6355 2.6355 2.6376 2.6376 3.1968 3.1968 3.1986 3.1986 4.7653 4.7653 4.7653 4.7653 10.5892 10.5892 10.5892 10.5892 13.2674 13.2674 13.2674 13.2674 k = 0.5000-0.0000 0.2495 ( 2258 PWs) bands (ev): -11.9125 -11.9125 -11.9125 -11.9125 -9.0491 -9.0491 -9.0491 -9.0491 -3.3945 -3.3945 -3.3944 -3.3944 0.1697 0.1697 0.1698 0.1698 1.1534 1.1534 1.1536 1.1536 2.6524 2.6524 2.6544 2.6544 3.2061 3.2061 3.2078 3.2078 4.7649 4.7649 4.7649 4.7649 10.5199 10.5199 10.5199 10.5199 13.2599 13.2599 13.2600 13.2600 k = 0.5000-0.0000 0.2339 ( 2258 PWs) bands (ev): -11.9211 -11.9211 -11.9211 -11.9211 -9.0281 -9.0281 -9.0281 -9.0281 -3.4214 -3.4214 -3.4213 -3.4213 0.1840 0.1840 0.1840 0.1840 1.1445 1.1445 1.1446 1.1446 2.6683 2.6683 2.6702 2.6702 3.2153 3.2153 3.2169 3.2169 4.7642 4.7642 4.7642 4.7642 10.4540 10.4540 10.4541 10.4541 13.2513 13.2513 13.2514 13.2514 k = 0.5000-0.0000 0.2183 ( 2258 PWs) bands (ev): -11.9295 -11.9295 -11.9295 -11.9295 -9.0076 -9.0076 -9.0076 -9.0076 -3.4476 -3.4476 -3.4475 -3.4475 0.1968 0.1968 0.1968 0.1968 1.1375 1.1375 1.1377 1.1377 2.6830 2.6830 2.6849 2.6849 3.2244 3.2244 3.2259 3.2259 4.7634 4.7634 4.7634 4.7634 10.3917 10.3917 10.3917 10.3917 13.2420 13.2420 13.2421 13.2421 k = 0.5000-0.0000 0.2027 ( 2258 PWs) bands (ev): -11.9375 -11.9375 -11.9374 -11.9374 -8.9877 -8.9877 -8.9877 -8.9877 -3.4728 -3.4728 -3.4727 -3.4727 0.2081 0.2081 0.2081 0.2081 1.1323 1.1323 1.1325 1.1325 2.6966 2.6966 2.6984 2.6984 3.2333 3.2333 3.2347 3.2347 4.7624 4.7624 4.7624 4.7624 10.3331 10.3331 10.3331 10.3331 13.2323 13.2323 13.2325 13.2325 k = 0.5000-0.0000 0.1871 ( 2260 PWs) bands (ev): -11.9451 -11.9451 -11.9450 -11.9450 -8.9686 -8.9686 -8.9686 -8.9686 -3.4970 -3.4970 -3.4969 -3.4969 0.2179 0.2179 0.2179 0.2179 1.1288 1.1288 1.1290 1.1290 2.7091 2.7091 2.7108 2.7108 3.2418 3.2418 3.2432 3.2432 4.7613 4.7613 4.7613 4.7613 10.2784 10.2784 10.2784 10.2784 13.2225 13.2225 13.2226 13.2226 k = 0.5000-0.0000 0.1715 ( 2256 PWs) bands (ev): -11.9522 -11.9522 -11.9522 -11.9522 -8.9505 -8.9505 -8.9505 -8.9505 -3.5199 -3.5199 -3.5198 -3.5198 0.2262 0.2262 0.2262 0.2262 1.1269 1.1269 1.1271 1.1271 2.7205 2.7205 2.7221 2.7221 3.2501 3.2501 3.2513 3.2513 4.7600 4.7600 4.7600 4.7600 10.2276 10.2276 10.2277 10.2277 13.2127 13.2127 13.2129 13.2129 k = 0.5000-0.0000 0.1559 ( 2252 PWs) bands (ev): -11.9589 -11.9589 -11.9589 -11.9589 -8.9334 -8.9334 -8.9334 -8.9334 -3.5414 -3.5414 -3.5413 -3.5413 0.2331 0.2331 0.2332 0.2332 1.1263 1.1263 1.1265 1.1265 2.7308 2.7308 2.7322 2.7322 3.2579 3.2579 3.2590 3.2590 4.7587 4.7587 4.7587 4.7587 10.1810 10.1810 10.1810 10.1810 13.2033 13.2033 13.2034 13.2034 k = 0.5000-0.0000 0.1403 ( 2254 PWs) bands (ev): -11.9650 -11.9650 -11.9650 -11.9650 -8.9175 -8.9175 -8.9175 -8.9175 -3.5613 -3.5613 -3.5612 -3.5612 0.2388 0.2388 0.2389 0.2389 1.1268 1.1268 1.1270 1.1270 2.7400 2.7400 2.7413 2.7413 3.2652 3.2652 3.2662 3.2662 4.7573 4.7573 4.7573 4.7573 10.1385 10.1385 10.1385 10.1385 13.1943 13.1943 13.1944 13.1944 k = 0.5000-0.0000 0.1247 ( 2252 PWs) bands (ev): -11.9706 -11.9706 -11.9706 -11.9706 -8.9029 -8.9029 -8.9029 -8.9029 -3.5795 -3.5795 -3.5794 -3.5794 0.2434 0.2434 0.2434 0.2434 1.1282 1.1282 1.1284 1.1284 2.7481 2.7481 2.7493 2.7493 3.2720 3.2720 3.2729 3.2729 4.7558 4.7558 4.7559 4.7559 10.1002 10.1002 10.1003 10.1003 13.1859 13.1859 13.1860 13.1860 k = 0.5000-0.0000 0.1091 ( 2252 PWs) bands (ev): -11.9757 -11.9757 -11.9757 -11.9757 -8.8897 -8.8897 -8.8897 -8.8897 -3.5959 -3.5959 -3.5958 -3.5958 0.2470 0.2470 0.2470 0.2470 1.1301 1.1301 1.1303 1.1303 2.7552 2.7552 2.7562 2.7562 3.2781 3.2781 3.2789 3.2789 4.7545 4.7545 4.7545 4.7545 10.0664 10.0664 10.0664 10.0664 13.1782 13.1782 13.1784 13.1784 k = 0.5000-0.0000 0.0935 ( 2256 PWs) bands (ev): -11.9801 -11.9801 -11.9801 -11.9801 -8.8781 -8.8781 -8.8781 -8.8781 -3.6103 -3.6103 -3.6103 -3.6103 0.2497 0.2497 0.2498 0.2498 1.1324 1.1324 1.1326 1.1326 2.7613 2.7613 2.7622 2.7622 3.2836 3.2836 3.2842 3.2842 4.7532 4.7532 4.7532 4.7532 10.0369 10.0369 10.0369 10.0369 13.1714 13.1714 13.1715 13.1715 k = 0.5000-0.0000 0.0780 ( 2254 PWs) bands (ev): -11.9838 -11.9838 -11.9838 -11.9838 -8.8681 -8.8681 -8.8681 -8.8681 -3.6227 -3.6227 -3.6227 -3.6227 0.2518 0.2518 0.2518 0.2518 1.1347 1.1347 1.1349 1.1349 2.7664 2.7664 2.7671 2.7671 3.2883 3.2883 3.2889 3.2889 4.7520 4.7520 4.7520 4.7520 10.0118 10.0118 10.0118 10.0118 13.1655 13.1655 13.1656 13.1656 k = 0.5000-0.0000 0.0624 ( 2256 PWs) bands (ev): -11.9869 -11.9869 -11.9869 -11.9869 -8.8598 -8.8598 -8.8598 -8.8598 -3.6330 -3.6330 -3.6329 -3.6329 0.2533 0.2533 0.2533 0.2533 1.1370 1.1370 1.1371 1.1371 2.7705 2.7705 2.7711 2.7711 3.2922 3.2922 3.2927 3.2927 4.7510 4.7510 4.7510 4.7510 9.9913 9.9913 9.9913 9.9913 13.1605 13.1605 13.1606 13.1606 k = 0.5000-0.0000 0.0468 ( 2258 PWs) bands (ev): -11.9894 -11.9894 -11.9894 -11.9894 -8.8532 -8.8532 -8.8532 -8.8532 -3.6411 -3.6411 -3.6410 -3.6410 0.2543 0.2543 0.2543 0.2543 1.1390 1.1390 1.1391 1.1391 2.7737 2.7737 2.7742 2.7742 3.2953 3.2953 3.2957 3.2957 4.7501 4.7501 4.7502 4.7502 9.9752 9.9752 9.9753 9.9753 13.1567 13.1567 13.1567 13.1567 k = 0.5000-0.0000 0.0312 ( 2264 PWs) bands (ev): -11.9911 -11.9911 -11.9911 -11.9911 -8.8485 -8.8485 -8.8485 -8.8485 -3.6469 -3.6469 -3.6469 -3.6469 0.2550 0.2550 0.2550 0.2550 1.1405 1.1405 1.1405 1.1405 2.7760 2.7760 2.7763 2.7763 3.2976 3.2976 3.2978 3.2978 4.7495 4.7495 4.7495 4.7495 9.9638 9.9638 9.9638 9.9638 13.1538 13.1538 13.1539 13.1539 k = 0.5000-0.0000 0.0156 ( 2264 PWs) bands (ev): -11.9922 -11.9922 -11.9922 -11.9922 -8.8457 -8.8457 -8.8457 -8.8457 -3.6504 -3.6504 -3.6504 -3.6504 0.2554 0.2554 0.2554 0.2554 1.1414 1.1414 1.1415 1.1415 2.7774 2.7774 2.7775 2.7775 3.2990 3.2990 3.2991 3.2991 4.7491 4.7491 4.7491 4.7491 9.9569 9.9569 9.9569 9.9569 13.1522 13.1522 13.1522 13.1522 k = 0.5000-0.0000-0.0000 ( 2264 PWs) bands (ev): -11.9925 -11.9925 -11.9925 -11.9925 -8.8448 -8.8448 -8.8448 -8.8448 -3.6515 -3.6515 -3.6515 -3.6515 0.2555 0.2555 0.2555 0.2555 1.1418 1.1418 1.1418 1.1418 2.7779 2.7779 2.7779 2.7779 3.2995 3.2995 3.2995 3.2995 4.7490 4.7490 4.7490 4.7490 9.9546 9.9546 9.9546 9.9546 13.1516 13.1516 13.1516 13.1516 k = 0.0000 0.0000 0.5613 ( 2268 PWs) bands (ev): -11.9205 -11.9205 -11.9205 -11.9205 -8.9333 -8.9333 -8.9333 -8.9333 -3.8064 -3.8064 -3.8064 -3.8064 0.2693 0.2693 0.2693 0.2693 1.1818 1.1818 1.1818 1.1818 2.6942 2.6942 2.6942 2.6942 2.9184 2.9184 2.9184 2.9184 5.6181 5.6181 5.6181 5.6181 10.3577 10.3577 10.3577 10.3577 13.7121 13.7121 13.7121 13.7121 k = 0.0152-0.0000 0.5613 ( 2266 PWs) bands (ev): -11.9203 -11.9203 -11.9203 -11.9203 -8.9343 -8.9343 -8.9343 -8.9343 -3.8048 -3.8048 -3.8048 -3.8048 0.2688 0.2688 0.2688 0.2688 1.1819 1.1819 1.1819 1.1819 2.6946 2.6946 2.6947 2.6947 2.9175 2.9175 2.9176 2.9176 5.6161 5.6161 5.6162 5.6162 10.3604 10.3604 10.3604 10.3604 13.7114 13.7114 13.7115 13.7115 k = 0.0303-0.0000 0.5613 ( 2268 PWs) bands (ev): -11.9194 -11.9194 -11.9194 -11.9194 -8.9371 -8.9371 -8.9371 -8.9371 -3.7997 -3.7997 -3.7997 -3.7997 0.2672 0.2672 0.2672 0.2672 1.1823 1.1823 1.1823 1.1823 2.6960 2.6960 2.6962 2.6962 2.9151 2.9151 2.9152 2.9152 5.6103 5.6103 5.6103 5.6103 10.3686 10.3686 10.3686 10.3686 13.7095 13.7095 13.7097 13.7097 k = 0.0455-0.0000 0.5613 ( 2268 PWs) bands (ev): -11.9180 -11.9180 -11.9180 -11.9180 -8.9418 -8.9418 -8.9418 -8.9418 -3.7914 -3.7914 -3.7913 -3.7913 0.2647 0.2647 0.2647 0.2647 1.1829 1.1829 1.1830 1.1830 2.6983 2.6983 2.6986 2.6986 2.9111 2.9111 2.9113 2.9113 5.6006 5.6006 5.6007 5.6007 10.3821 10.3821 10.3822 10.3822 13.7062 13.7062 13.7065 13.7065 k = 0.0606-0.0000 0.5613 ( 2276 PWs) bands (ev): -11.9161 -11.9161 -11.9161 -11.9161 -8.9484 -8.9484 -8.9484 -8.9484 -3.7798 -3.7798 -3.7797 -3.7797 0.2610 0.2610 0.2610 0.2610 1.1840 1.1840 1.1840 1.1840 2.7014 2.7014 2.7018 2.7018 2.9056 2.9056 2.9059 2.9059 5.5873 5.5873 5.5874 5.5874 10.4010 10.4010 10.4010 10.4010 13.7016 13.7016 13.7020 13.7020 k = 0.0758-0.0000 0.5613 ( 2272 PWs) bands (ev): -11.9136 -11.9136 -11.9136 -11.9136 -8.9567 -8.9567 -8.9567 -8.9567 -3.7650 -3.7650 -3.7650 -3.7650 0.2562 0.2562 0.2563 0.2563 1.1854 1.1854 1.1855 1.1855 2.7053 2.7053 2.7058 2.7058 2.8988 2.8988 2.8992 2.8992 5.5703 5.5703 5.5705 5.5705 10.4250 10.4250 10.4251 10.4251 13.6959 13.6959 13.6963 13.6963 k = 0.0909-0.0000 0.5613 ( 2268 PWs) bands (ev): -11.9106 -11.9106 -11.9106 -11.9106 -8.9667 -8.9667 -8.9667 -8.9667 -3.7472 -3.7472 -3.7471 -3.7471 0.2504 0.2504 0.2504 0.2504 1.1874 1.1874 1.1875 1.1875 2.7097 2.7097 2.7103 2.7103 2.8908 2.8908 2.8914 2.8914 5.5500 5.5500 5.5502 5.5502 10.4539 10.4539 10.4541 10.4541 13.6888 13.6888 13.6894 13.6894 k = 0.1061-0.0000 0.5613 ( 2266 PWs) bands (ev): -11.9071 -11.9071 -11.9071 -11.9071 -8.9782 -8.9782 -8.9782 -8.9782 -3.7264 -3.7264 -3.7264 -3.7264 0.2433 0.2433 0.2433 0.2433 1.1900 1.1900 1.1900 1.1900 2.7144 2.7144 2.7152 2.7152 2.8818 2.8818 2.8826 2.8826 5.5265 5.5265 5.5267 5.5267 10.4877 10.4877 10.4878 10.4878 13.6805 13.6805 13.6811 13.6811 k = 0.1212-0.0000 0.5613 ( 2264 PWs) bands (ev): -11.9031 -11.9031 -11.9031 -11.9031 -8.9912 -8.9912 -8.9912 -8.9912 -3.7030 -3.7030 -3.7029 -3.7029 0.2350 0.2350 0.2351 0.2351 1.1932 1.1932 1.1933 1.1933 2.7188 2.7188 2.7199 2.7199 2.8724 2.8724 2.8735 2.8735 5.5001 5.5001 5.5003 5.5003 10.5260 10.5260 10.5262 10.5262 13.6709 13.6709 13.6716 13.6716 k = 0.1364-0.0000 0.5613 ( 2260 PWs) bands (ev): -11.8987 -11.8987 -11.8986 -11.8986 -9.0056 -9.0056 -9.0056 -9.0056 -3.6770 -3.6770 -3.6769 -3.6769 0.2255 0.2255 0.2255 0.2255 1.1972 1.1972 1.1973 1.1973 2.7224 2.7224 2.7239 2.7239 2.8632 2.8632 2.8646 2.8646 5.4709 5.4709 5.4712 5.4712 10.5686 10.5686 10.5688 10.5688 13.6599 13.6599 13.6607 13.6607 k = 0.1515-0.0000 0.5613 ( 2262 PWs) bands (ev): -11.8938 -11.8938 -11.8938 -11.8938 -9.0211 -9.0211 -9.0211 -9.0211 -3.6486 -3.6486 -3.6486 -3.6486 0.2147 0.2147 0.2147 0.2147 1.2022 1.2022 1.2022 1.2022 2.7242 2.7242 2.7260 2.7260 2.8551 2.8551 2.8569 2.8569 5.4393 5.4393 5.4395 5.4395 10.6153 10.6153 10.6155 10.6155 13.6475 13.6475 13.6484 13.6484 k = 0.1667-0.0000 0.5613 ( 2262 PWs) bands (ev): -11.8886 -11.8886 -11.8886 -11.8886 -9.0376 -9.0376 -9.0376 -9.0376 -3.6182 -3.6182 -3.6181 -3.6181 0.2027 0.2027 0.2027 0.2027 1.2080 1.2080 1.2081 1.2081 2.7228 2.7228 2.7251 2.7251 2.8496 2.8496 2.8518 2.8518 5.4055 5.4055 5.4058 5.4058 10.6658 10.6658 10.6660 10.6660 13.6336 13.6336 13.6345 13.6345 k = 0.1818-0.0000 0.5613 ( 2268 PWs) bands (ev): -11.8831 -11.8831 -11.8831 -11.8831 -9.0550 -9.0550 -9.0550 -9.0550 -3.5858 -3.5858 -3.5857 -3.5857 0.1893 0.1893 0.1894 0.1894 1.2149 1.2149 1.2150 1.2150 2.7172 2.7172 2.7197 2.7197 2.8479 2.8479 2.8504 2.8504 5.3699 5.3699 5.3703 5.3703 10.7198 10.7198 10.7200 10.7200 13.6179 13.6179 13.6189 13.6189 k = 0.1970-0.0000 0.5613 ( 2268 PWs) bands (ev): -11.8772 -11.8772 -11.8772 -11.8772 -9.0731 -9.0731 -9.0731 -9.0731 -3.5518 -3.5518 -3.5517 -3.5517 0.1748 0.1748 0.1748 0.1748 1.2230 1.2230 1.2231 1.2231 2.7069 2.7069 2.7096 2.7096 2.8505 2.8505 2.8531 2.8531 5.3328 5.3328 5.3332 5.3332 10.7770 10.7770 10.7773 10.7773 13.6003 13.6003 13.6013 13.6013 k = 0.2121-0.0000 0.5613 ( 2266 PWs) bands (ev): -11.8711 -11.8711 -11.8711 -11.8711 -9.0918 -9.0918 -9.0918 -9.0918 -3.5164 -3.5164 -3.5163 -3.5163 0.1591 0.1591 0.1591 0.1591 1.2322 1.2322 1.2323 1.2323 2.6923 2.6923 2.6949 2.6949 2.8571 2.8571 2.8597 2.8597 5.2945 5.2945 5.2948 5.2948 10.8372 10.8372 10.8375 10.8375 13.5805 13.5805 13.5816 13.5816 k = 0.2273-0.0000 0.5613 ( 2264 PWs) bands (ev): -11.8648 -11.8648 -11.8648 -11.8648 -9.1108 -9.1108 -9.1108 -9.1108 -3.4800 -3.4800 -3.4799 -3.4799 0.1423 0.1423 0.1424 0.1424 1.2426 1.2426 1.2427 1.2427 2.6741 2.6741 2.6767 2.6767 2.8668 2.8668 2.8694 2.8694 5.2552 5.2552 5.2555 5.2555 10.9000 10.9000 10.9003 10.9003 13.5582 13.5582 13.5594 13.5594 k = 0.2424-0.0000 0.5613 ( 2264 PWs) bands (ev): -11.8584 -11.8584 -11.8584 -11.8584 -9.1301 -9.1301 -9.1301 -9.1301 -3.4428 -3.4428 -3.4427 -3.4427 0.1246 0.1246 0.1246 0.1246 1.2541 1.2541 1.2542 1.2542 2.6531 2.6531 2.6556 2.6556 2.8789 2.8789 2.8814 2.8814 5.2154 5.2154 5.2157 5.2157 10.9652 10.9652 10.9655 10.9655 13.5331 13.5331 13.5343 13.5343 k = 0.2576-0.0000 0.5613 ( 2266 PWs) bands (ev): -11.8519 -11.8519 -11.8519 -11.8519 -9.1494 -9.1494 -9.1494 -9.1494 -3.4051 -3.4051 -3.4050 -3.4050 0.1060 0.1060 0.1061 0.1061 1.2668 1.2668 1.2669 1.2669 2.6300 2.6300 2.6324 2.6324 2.8927 2.8927 2.8951 2.8951 5.1752 5.1752 5.1756 5.1756 11.0325 11.0325 11.0328 11.0328 13.5049 13.5049 13.5060 13.5060 k = 0.2727-0.0000 0.5613 ( 2266 PWs) bands (ev): -11.8453 -11.8453 -11.8453 -11.8453 -9.1685 -9.1685 -9.1685 -9.1685 -3.3672 -3.3672 -3.3671 -3.3671 0.0867 0.0867 0.0868 0.0868 1.2805 1.2805 1.2806 1.2806 2.6053 2.6053 2.6077 2.6077 2.9076 2.9076 2.9100 2.9100 5.1351 5.1351 5.1355 5.1355 11.1015 11.1015 11.1018 11.1018 13.4731 13.4731 13.4743 13.4743 k = 0.2879-0.0000 0.5613 ( 2264 PWs) bands (ev): -11.8388 -11.8388 -11.8388 -11.8388 -9.1873 -9.1873 -9.1873 -9.1873 -3.3295 -3.3295 -3.3294 -3.3294 0.0670 0.0670 0.0671 0.0671 1.2953 1.2953 1.2954 1.2954 2.5796 2.5796 2.5819 2.5819 2.9234 2.9234 2.9257 2.9257 5.0954 5.0954 5.0957 5.0957 11.1720 11.1720 11.1723 11.1723 13.4378 13.4378 13.4390 13.4390 k = 0.3030-0.0000 0.5613 ( 2262 PWs) bands (ev): -11.8323 -11.8323 -11.8323 -11.8323 -9.2057 -9.2057 -9.2057 -9.2057 -3.2923 -3.2923 -3.2922 -3.2922 0.0470 0.0470 0.0472 0.0472 1.3108 1.3108 1.3110 1.3110 2.5530 2.5530 2.5553 2.5553 2.9397 2.9397 2.9419 2.9419 5.0564 5.0564 5.0567 5.0567 11.2435 11.2435 11.2439 11.2439 13.3987 13.3987 13.3999 13.3999 k = 0.3182-0.0000 0.5613 ( 2262 PWs) bands (ev): -11.8260 -11.8260 -11.8260 -11.8260 -9.2234 -9.2234 -9.2234 -9.2234 -3.2560 -3.2560 -3.2558 -3.2558 0.0270 0.0270 0.0272 0.0272 1.3272 1.3272 1.3273 1.3273 2.5260 2.5260 2.5282 2.5282 2.9562 2.9562 2.9584 2.9584 5.0183 5.0183 5.0187 5.0187 11.3159 11.3159 11.3162 11.3162 13.3559 13.3559 13.3572 13.3572 k = 0.3333-0.0000 0.5613 ( 2264 PWs) bands (ev): -11.8200 -11.8200 -11.8200 -11.8200 -9.2404 -9.2404 -9.2403 -9.2403 -3.2208 -3.2208 -3.2207 -3.2207 0.0072 0.0072 0.0074 0.0074 1.3440 1.3440 1.3441 1.3441 2.4989 2.4989 2.5011 2.5011 2.9727 2.9727 2.9749 2.9749 4.9816 4.9816 4.9819 4.9819 11.3886 11.3886 11.3890 11.3890 13.3098 13.3098 13.3110 13.3110 k = 0.3485-0.0000 0.5613 ( 2266 PWs) bands (ev): -11.8142 -11.8142 -11.8141 -11.8141 -9.2564 -9.2564 -9.2564 -9.2564 -3.1872 -3.1872 -3.1870 -3.1870 -0.0122 -0.0122 -0.0120 -0.0120 1.3611 1.3611 1.3613 1.3613 2.4720 2.4720 2.4742 2.4742 2.9890 2.9890 2.9912 2.9912 4.9466 4.9466 4.9469 4.9469 11.4612 11.4612 11.4616 11.4616 13.2606 13.2606 13.2619 13.2619 k = 0.3636-0.0000 0.5613 ( 2266 PWs) bands (ev): -11.8087 -11.8087 -11.8087 -11.8087 -9.2713 -9.2713 -9.2713 -9.2713 -3.1555 -3.1555 -3.1553 -3.1553 -0.0308 -0.0308 -0.0306 -0.0306 1.3783 1.3783 1.3785 1.3785 2.4457 2.4457 2.4479 2.4479 3.0048 3.0048 3.0070 3.0070 4.9136 4.9136 4.9139 4.9139 11.5333 11.5333 11.5337 11.5337 13.2091 13.2091 13.2103 13.2103 k = 0.3788-0.0000 0.5613 ( 2264 PWs) bands (ev): -11.8036 -11.8036 -11.8036 -11.8036 -9.2850 -9.2850 -9.2850 -9.2850 -3.1260 -3.1260 -3.1258 -3.1258 -0.0483 -0.0483 -0.0481 -0.0481 1.3952 1.3952 1.3954 1.3954 2.4205 2.4205 2.4227 2.4227 3.0198 3.0198 3.0220 3.0220 4.8829 4.8829 4.8832 4.8832 11.6042 11.6042 11.6046 11.6046 13.1559 13.1559 13.1571 13.1571 k = 0.3939-0.0000 0.5613 ( 2268 PWs) bands (ev): -11.7990 -11.7990 -11.7990 -11.7990 -9.2975 -9.2975 -9.2975 -9.2975 -3.0990 -3.0990 -3.0988 -3.0988 -0.0646 -0.0646 -0.0644 -0.0644 1.4115 1.4115 1.4117 1.4117 2.3965 2.3965 2.3988 2.3988 3.0338 3.0338 3.0360 3.0360 4.8549 4.8549 4.8551 4.8551 11.6730 11.6730 11.6735 11.6735 13.1021 13.1021 13.1033 13.1033 k = 0.4091-0.0000 0.5613 ( 2262 PWs) bands (ev): -11.7948 -11.7948 -11.7948 -11.7948 -9.3084 -9.3084 -9.3084 -9.3084 -3.0749 -3.0749 -3.0747 -3.0747 -0.0793 -0.0793 -0.0791 -0.0791 1.4269 1.4269 1.4272 1.4272 2.3745 2.3745 2.3768 2.3768 3.0466 3.0466 3.0488 3.0488 4.8298 4.8298 4.8300 4.8300 11.7390 11.7390 11.7394 11.7394 13.0488 13.0488 13.0499 13.0499 k = 0.4242-0.0000 0.5613 ( 2262 PWs) bands (ev): -11.7912 -11.7912 -11.7912 -11.7912 -9.3179 -9.3179 -9.3179 -9.3179 -3.0540 -3.0540 -3.0538 -3.0538 -0.0923 -0.0923 -0.0920 -0.0920 1.4409 1.4409 1.4412 1.4412 2.3547 2.3547 2.3570 2.3570 3.0579 3.0579 3.0601 3.0601 4.8080 4.8080 4.8083 4.8083 11.8006 11.8006 11.8011 11.8011 12.9974 12.9974 12.9986 12.9986 k = 0.4394-0.0000 0.5613 ( 2260 PWs) bands (ev): -11.7882 -11.7882 -11.7882 -11.7882 -9.3258 -9.3258 -9.3258 -9.3258 -3.0365 -3.0365 -3.0363 -3.0363 -0.1032 -0.1032 -0.1030 -0.1030 1.4532 1.4532 1.4534 1.4534 2.3377 2.3377 2.3400 2.3400 3.0675 3.0675 3.0697 3.0697 4.7898 4.7898 4.7900 4.7900 11.8563 11.8563 11.8568 11.8568 12.9499 12.9499 12.9510 12.9510 k = 0.4545-0.0000 0.5613 ( 2266 PWs) bands (ev): -11.7859 -11.7859 -11.7859 -11.7859 -9.3320 -9.3320 -9.3320 -9.3320 -3.0226 -3.0226 -3.0224 -3.0224 -0.1120 -0.1120 -0.1117 -0.1117 1.4632 1.4632 1.4635 1.4635 2.3239 2.3239 2.3262 2.3262 3.0751 3.0751 3.0774 3.0774 4.7753 4.7753 4.7755 4.7755 11.9039 11.9039 11.9044 11.9044 12.9085 12.9085 12.9096 12.9096 k = 0.4697-0.0000 0.5613 ( 2272 PWs) bands (ev): -11.7842 -11.7842 -11.7842 -11.7842 -9.3364 -9.3364 -9.3364 -9.3364 -3.0126 -3.0126 -3.0124 -3.0124 -0.1183 -0.1183 -0.1180 -0.1180 1.4707 1.4707 1.4710 1.4710 2.3137 2.3137 2.3160 2.3160 3.0807 3.0807 3.0829 3.0829 4.7648 4.7648 4.7650 4.7650 11.9409 11.9409 11.9414 11.9414 12.8758 12.8758 12.8770 12.8770 k = 0.4848-0.0000 0.5613 ( 2276 PWs) bands (ev): -11.7832 -11.7832 -11.7831 -11.7831 -9.3391 -9.3391 -9.3391 -9.3391 -3.0065 -3.0065 -3.0063 -3.0063 -0.1222 -0.1222 -0.1219 -0.1219 1.4753 1.4753 1.4756 1.4756 2.3074 2.3074 2.3098 2.3098 3.0841 3.0841 3.0864 3.0864 4.7584 4.7584 4.7586 4.7586 11.9645 11.9645 11.9650 11.9650 12.8548 12.8548 12.8559 12.8559 k = 0.5000-0.0000 0.5613 ( 2276 PWs) bands (ev): -11.7828 -11.7828 -11.7828 -11.7828 -9.3400 -9.3400 -9.3400 -9.3400 -3.0045 -3.0045 -3.0043 -3.0043 -0.1235 -0.1235 -0.1232 -0.1232 1.4769 1.4769 1.4772 1.4772 2.3053 2.3053 2.3077 2.3077 3.0853 3.0853 3.0875 3.0875 4.7563 4.7563 4.7565 4.7565 11.9727 11.9727 11.9731 11.9731 12.8475 12.8475 12.8486 12.8486 Writing output data file BN.save init_run : 2.79s CPU 11.84s WALL ( 1 calls) electrons : 316.77s CPU 322.92s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.10s WALL ( 1 calls) potinit : 0.60s CPU 1.63s WALL ( 1 calls) Called by electrons: c_bands : 316.66s CPU 322.55s WALL ( 1 calls) v_of_rho : 0.33s CPU 0.90s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.33s CPU 0.64s WALL ( 1 calls) newd : 0.25s CPU 0.38s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.09s WALL ( 350 calls) cegterg : 285.60s CPU 288.74s WALL ( 755 calls) Called by sum_band: Called by *egterg: h_psi : 120.03s CPU 126.10s WALL ( 12601 calls) s_psi : 8.80s CPU 9.86s WALL ( 12601 calls) g_psi : 0.24s CPU 0.31s WALL ( 11496 calls) cdiaghg : 120.05s CPU 118.83s WALL ( 11846 calls) cegterg:over : 23.75s CPU 20.97s WALL ( 11496 calls) cegterg:upda : 2.74s CPU 4.86s WALL ( 11496 calls) cegterg:last : 2.78s CPU 3.41s WALL ( 1805 calls) Called by h_psi: h_psi:vloc : 92.30s CPU 98.19s WALL ( 12601 calls) h_psi:vnl : 27.61s CPU 27.54s WALL ( 12601 calls) add_vuspsi : 5.60s CPU 8.18s WALL ( 12601 calls) General routines calbec : 21.99s CPU 19.25s WALL ( 12601 calls) fft : 0.43s CPU 1.55s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 86.88s CPU 91.65s WALL ( 884180 calls) interpolate : 0.10s CPU 0.16s WALL ( 4 calls) davcio : 0.02s CPU 0.60s WALL ( 700 calls) Parallel routines fft_scatter : 60.01s CPU 63.47s WALL ( 884203 calls) PWSCF : 5m58.79s CPU 7m12.99s WALL This run was terminated on: 7:49:46 5Jun2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=