Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:10:47 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CO2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 31 18 5 949 408 70 Max 33 19 7 952 421 76 Sum 1153 665 213 34221 14945 2607 bravais-lattice index = 14 lattice parameter (alat) = 6.6445 a.u. unit-cell volume = 342.4191 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.644466 celldm(2)= 1.000000 celldm(3)= 1.167288 celldm(4)= 0.000000 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 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.167288 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.856687 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) C 4.00 12.01070 C( 1.00) 8 Sym. Ops., with inversion, found (note: 8 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [1,1,0] cryst. s( 3) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 3) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,-1,0] cryst. s( 4) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 4) = ( -0.0000000 -1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 inversion cryst. s( 5) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 6) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 6) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s( 7) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s( 8) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_2h (mmm) there are 10 classes and 2 irreducible representations the character table: E -E C2 C2' C2'' i -i s_v s_v' s_v'' -C2 -C2' -C2'' -s_v -s_v' -s_v' G_5+ 2.00 -2.00 0.00 0.00 0.00 2.00 -2.00 0.00 0.00 0.00 G_5- 2.00 -2.00 0.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] C2' -C2' 3 -3 180 deg rotation - cart. axis [1,1,0] C2'' -C2'' 4 -4 180 deg rotation - cart. axis [1,-1,0] i 5 inversion -i -5 inversion E s_v -s_v 6 -6 inv. 180 deg rotation - cart. axis [0,0,1] s_v'-s_v' 7 -7 inv. 180 deg rotation - cart. axis [1,1,0] s_v''-s_v' 8 -8 inv. 180 deg rotation - cart. axis [1,-1,0] Cartesian axes number of k points= 434 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023041 k( 2) = ( 0.0000000 0.0111111 -0.0000000), wk = 0.0023041 k( 3) = ( 0.0000000 0.0222222 -0.0000000), wk = 0.0023041 k( 4) = ( 0.0000000 0.0333333 -0.0000000), wk = 0.0023041 k( 5) = ( 0.0000000 0.0444444 -0.0000000), wk = 0.0023041 k( 6) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0023041 k( 7) = ( 0.0000000 0.0666667 -0.0000000), wk = 0.0023041 k( 8) = ( 0.0000000 0.0777778 -0.0000000), wk = 0.0023041 k( 9) = ( 0.0000000 0.0888889 -0.0000000), wk = 0.0023041 k( 10) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0023041 k( 11) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0023041 k( 12) = ( 0.0000000 0.1222222 -0.0000000), wk = 0.0023041 k( 13) = ( 0.0000000 0.1333333 -0.0000000), wk = 0.0023041 k( 14) = ( 0.0000000 0.1444444 -0.0000000), wk = 0.0023041 k( 15) = ( 0.0000000 0.1555556 -0.0000000), wk = 0.0023041 k( 16) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0023041 k( 17) = ( 0.0000000 0.1777778 -0.0000000), wk = 0.0023041 k( 18) = ( 0.0000000 0.1888889 -0.0000000), wk = 0.0023041 k( 19) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0023041 k( 20) = ( 0.0000000 0.2111111 -0.0000000), wk = 0.0023041 k( 21) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0023041 k( 22) = ( 0.0000000 0.2333333 -0.0000000), wk = 0.0023041 k( 23) = ( 0.0000000 0.2444444 -0.0000000), wk = 0.0023041 k( 24) = ( 0.0000000 0.2555556 -0.0000000), wk = 0.0023041 k( 25) = ( 0.0000000 0.2666667 -0.0000000), wk = 0.0023041 k( 26) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0023041 k( 27) = ( 0.0000000 0.2888889 -0.0000000), wk = 0.0023041 k( 28) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0023041 k( 29) = ( 0.0000000 0.3111111 -0.0000000), wk = 0.0023041 k( 30) = ( 0.0000000 0.3222222 -0.0000000), wk = 0.0023041 k( 31) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0023041 k( 32) = ( 0.0000000 0.3444444 -0.0000000), wk = 0.0023041 k( 33) = ( 0.0000000 0.3555556 -0.0000000), wk = 0.0023041 k( 34) = ( 0.0000000 0.3666667 -0.0000000), wk = 0.0023041 k( 35) = ( 0.0000000 0.3777778 -0.0000000), wk = 0.0023041 k( 36) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0023041 k( 37) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0023041 k( 38) = ( 0.0000000 0.4111111 -0.0000000), wk = 0.0023041 k( 39) = ( 0.0000000 0.4222222 -0.0000000), wk = 0.0023041 k( 40) = ( 0.0000000 0.4333333 -0.0000000), wk = 0.0023041 k( 41) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0023041 k( 42) = ( 0.0000000 0.4555556 -0.0000000), wk = 0.0023041 k( 43) = ( 0.0000000 0.4666667 -0.0000000), wk = 0.0023041 k( 44) = ( 0.0000000 0.4777778 -0.0000000), wk = 0.0023041 k( 45) = ( 0.0000000 0.4888889 -0.0000000), wk = 0.0023041 k( 46) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0023041 k( 47) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0023041 k( 48) = ( 0.0111111 0.5000000 -0.0000000), wk = 0.0023041 k( 49) = ( 0.0222222 0.5000000 -0.0000000), wk = 0.0023041 k( 50) = ( 0.0333333 0.5000000 -0.0000000), wk = 0.0023041 k( 51) = ( 0.0444444 0.5000000 -0.0000000), wk = 0.0023041 k( 52) = ( 0.0555556 0.5000000 -0.0000000), wk = 0.0023041 k( 53) = ( 0.0666667 0.5000000 -0.0000000), wk = 0.0023041 k( 54) = ( 0.0777778 0.5000000 -0.0000000), wk = 0.0023041 k( 55) = ( 0.0888889 0.5000000 -0.0000000), wk = 0.0023041 k( 56) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0023041 k( 57) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0023041 k( 58) = ( 0.1222222 0.5000000 -0.0000000), wk = 0.0023041 k( 59) = ( 0.1333333 0.5000000 -0.0000000), wk = 0.0023041 k( 60) = ( 0.1444444 0.5000000 -0.0000000), wk = 0.0023041 k( 61) = ( 0.1555556 0.5000000 -0.0000000), wk = 0.0023041 k( 62) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0023041 k( 63) = ( 0.1777778 0.5000000 -0.0000000), wk = 0.0023041 k( 64) = ( 0.1888889 0.5000000 -0.0000000), wk = 0.0023041 k( 65) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0023041 k( 66) = ( 0.2111111 0.5000000 -0.0000000), wk = 0.0023041 k( 67) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0023041 k( 68) = ( 0.2333333 0.5000000 -0.0000000), wk = 0.0023041 k( 69) = ( 0.2444444 0.5000000 -0.0000000), wk = 0.0023041 k( 70) = ( 0.2555556 0.5000000 -0.0000000), wk = 0.0023041 k( 71) = ( 0.2666667 0.5000000 -0.0000000), wk = 0.0023041 k( 72) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0023041 k( 73) = ( 0.2888889 0.5000000 -0.0000000), wk = 0.0023041 k( 74) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0023041 k( 75) = ( 0.3111111 0.5000000 -0.0000000), wk = 0.0023041 k( 76) = ( 0.3222222 0.5000000 -0.0000000), wk = 0.0023041 k( 77) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0023041 k( 78) = ( 0.3444444 0.5000000 -0.0000000), wk = 0.0023041 k( 79) = ( 0.3555556 0.5000000 -0.0000000), wk = 0.0023041 k( 80) = ( 0.3666667 0.5000000 -0.0000000), wk = 0.0023041 k( 81) = ( 0.3777778 0.5000000 -0.0000000), wk = 0.0023041 k( 82) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0023041 k( 83) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0023041 k( 84) = ( 0.4111111 0.5000000 -0.0000000), wk = 0.0023041 k( 85) = ( 0.4222222 0.5000000 -0.0000000), wk = 0.0023041 k( 86) = ( 0.4333333 0.5000000 -0.0000000), wk = 0.0023041 k( 87) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0023041 k( 88) = ( 0.4555556 0.5000000 -0.0000000), wk = 0.0023041 k( 89) = ( 0.4666667 0.5000000 -0.0000000), wk = 0.0023041 k( 90) = ( 0.4777778 0.5000000 -0.0000000), wk = 0.0023041 k( 91) = ( 0.4888889 0.5000000 -0.0000000), wk = 0.0023041 k( 92) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023041 k( 93) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023041 k( 94) = ( 0.4921875 0.4921875 -0.0000000), wk = 0.0023041 k( 95) = ( 0.4843750 0.4843750 -0.0000000), wk = 0.0023041 k( 96) = ( 0.4765625 0.4765625 -0.0000000), wk = 0.0023041 k( 97) = ( 0.4687500 0.4687500 -0.0000000), wk = 0.0023041 k( 98) = ( 0.4609375 0.4609375 -0.0000000), wk = 0.0023041 k( 99) = ( 0.4531250 0.4531250 -0.0000000), wk = 0.0023041 k( 100) = ( 0.4453125 0.4453125 -0.0000000), wk = 0.0023041 k( 101) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0023041 k( 102) = ( 0.4296875 0.4296875 -0.0000000), wk = 0.0023041 k( 103) = ( 0.4218750 0.4218750 -0.0000000), wk = 0.0023041 k( 104) = ( 0.4140625 0.4140625 -0.0000000), wk = 0.0023041 k( 105) = ( 0.4062500 0.4062500 -0.0000000), wk = 0.0023041 k( 106) = ( 0.3984375 0.3984375 -0.0000000), wk = 0.0023041 k( 107) = ( 0.3906250 0.3906250 -0.0000000), wk = 0.0023041 k( 108) = ( 0.3828125 0.3828125 -0.0000000), wk = 0.0023041 k( 109) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0023041 k( 110) = ( 0.3671875 0.3671875 -0.0000000), wk = 0.0023041 k( 111) = ( 0.3593750 0.3593750 -0.0000000), wk = 0.0023041 k( 112) = ( 0.3515625 0.3515625 -0.0000000), wk = 0.0023041 k( 113) = ( 0.3437500 0.3437500 -0.0000000), wk = 0.0023041 k( 114) = ( 0.3359375 0.3359375 -0.0000000), wk = 0.0023041 k( 115) = ( 0.3281250 0.3281250 -0.0000000), wk = 0.0023041 k( 116) = ( 0.3203125 0.3203125 -0.0000000), wk = 0.0023041 k( 117) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0023041 k( 118) = ( 0.3046875 0.3046875 -0.0000000), wk = 0.0023041 k( 119) = ( 0.2968750 0.2968750 -0.0000000), wk = 0.0023041 k( 120) = ( 0.2890625 0.2890625 -0.0000000), wk = 0.0023041 k( 121) = ( 0.2812500 0.2812500 -0.0000000), wk = 0.0023041 k( 122) = ( 0.2734375 0.2734375 -0.0000000), wk = 0.0023041 k( 123) = ( 0.2656250 0.2656250 -0.0000000), wk = 0.0023041 k( 124) = ( 0.2578125 0.2578125 -0.0000000), wk = 0.0023041 k( 125) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0023041 k( 126) = ( 0.2421875 0.2421875 -0.0000000), wk = 0.0023041 k( 127) = ( 0.2343750 0.2343750 -0.0000000), wk = 0.0023041 k( 128) = ( 0.2265625 0.2265625 -0.0000000), wk = 0.0023041 k( 129) = ( 0.2187500 0.2187500 -0.0000000), wk = 0.0023041 k( 130) = ( 0.2109375 0.2109375 -0.0000000), wk = 0.0023041 k( 131) = ( 0.2031250 0.2031250 -0.0000000), wk = 0.0023041 k( 132) = ( 0.1953125 0.1953125 -0.0000000), wk = 0.0023041 k( 133) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0023041 k( 134) = ( 0.1796875 0.1796875 -0.0000000), wk = 0.0023041 k( 135) = ( 0.1718750 0.1718750 -0.0000000), wk = 0.0023041 k( 136) = ( 0.1640625 0.1640625 -0.0000000), wk = 0.0023041 k( 137) = ( 0.1562500 0.1562500 -0.0000000), wk = 0.0023041 k( 138) = ( 0.1484375 0.1484375 -0.0000000), wk = 0.0023041 k( 139) = ( 0.1406250 0.1406250 -0.0000000), wk = 0.0023041 k( 140) = ( 0.1328125 0.1328125 -0.0000000), wk = 0.0023041 k( 141) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0023041 k( 142) = ( 0.1171875 0.1171875 -0.0000000), wk = 0.0023041 k( 143) = ( 0.1093750 0.1093750 -0.0000000), wk = 0.0023041 k( 144) = ( 0.1015625 0.1015625 -0.0000000), wk = 0.0023041 k( 145) = ( 0.0937500 0.0937500 -0.0000000), wk = 0.0023041 k( 146) = ( 0.0859375 0.0859375 -0.0000000), wk = 0.0023041 k( 147) = ( 0.0781250 0.0781250 -0.0000000), wk = 0.0023041 k( 148) = ( 0.0703125 0.0703125 -0.0000000), wk = 0.0023041 k( 149) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0023041 k( 150) = ( 0.0546875 0.0546875 -0.0000000), wk = 0.0023041 k( 151) = ( 0.0468750 0.0468750 -0.0000000), wk = 0.0023041 k( 152) = ( 0.0390625 0.0390625 -0.0000000), wk = 0.0023041 k( 153) = ( 0.0312500 0.0312500 -0.0000000), wk = 0.0023041 k( 154) = ( 0.0234375 0.0234375 -0.0000000), wk = 0.0023041 k( 155) = ( 0.0156250 0.0156250 -0.0000000), wk = 0.0023041 k( 156) = ( 0.0078125 0.0078125 -0.0000000), wk = 0.0023041 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023041 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023041 k( 159) = ( 0.0000000 0.0000000 0.0109832), wk = 0.0023041 k( 160) = ( 0.0000000 0.0000000 0.0219663), wk = 0.0023041 k( 161) = ( 0.0000000 0.0000000 0.0329495), wk = 0.0023041 k( 162) = ( 0.0000000 0.0000000 0.0439327), wk = 0.0023041 k( 163) = ( 0.0000000 0.0000000 0.0549158), wk = 0.0023041 k( 164) = ( 0.0000000 0.0000000 0.0658990), wk = 0.0023041 k( 165) = ( 0.0000000 0.0000000 0.0768822), wk = 0.0023041 k( 166) = ( 0.0000000 0.0000000 0.0878653), wk = 0.0023041 k( 167) = ( 0.0000000 0.0000000 0.0988485), wk = 0.0023041 k( 168) = ( 0.0000000 0.0000000 0.1098317), wk = 0.0023041 k( 169) = ( 0.0000000 0.0000000 0.1208148), wk = 0.0023041 k( 170) = ( 0.0000000 0.0000000 0.1317980), wk = 0.0023041 k( 171) = ( 0.0000000 0.0000000 0.1427812), wk = 0.0023041 k( 172) = ( 0.0000000 0.0000000 0.1537643), wk = 0.0023041 k( 173) = ( 0.0000000 0.0000000 0.1647475), wk = 0.0023041 k( 174) = ( 0.0000000 0.0000000 0.1757306), wk = 0.0023041 k( 175) = ( 0.0000000 0.0000000 0.1867138), wk = 0.0023041 k( 176) = ( 0.0000000 0.0000000 0.1976970), wk = 0.0023041 k( 177) = ( 0.0000000 0.0000000 0.2086801), wk = 0.0023041 k( 178) = ( 0.0000000 0.0000000 0.2196633), wk = 0.0023041 k( 179) = ( 0.0000000 0.0000000 0.2306465), wk = 0.0023041 k( 180) = ( 0.0000000 0.0000000 0.2416296), wk = 0.0023041 k( 181) = ( 0.0000000 0.0000000 0.2526128), wk = 0.0023041 k( 182) = ( 0.0000000 0.0000000 0.2635960), wk = 0.0023041 k( 183) = ( 0.0000000 0.0000000 0.2745791), wk = 0.0023041 k( 184) = ( 0.0000000 0.0000000 0.2855623), wk = 0.0023041 k( 185) = ( 0.0000000 0.0000000 0.2965455), wk = 0.0023041 k( 186) = ( 0.0000000 0.0000000 0.3075286), wk = 0.0023041 k( 187) = ( 0.0000000 0.0000000 0.3185118), wk = 0.0023041 k( 188) = ( 0.0000000 0.0000000 0.3294950), wk = 0.0023041 k( 189) = ( 0.0000000 0.0000000 0.3404781), wk = 0.0023041 k( 190) = ( 0.0000000 0.0000000 0.3514613), wk = 0.0023041 k( 191) = ( 0.0000000 0.0000000 0.3624445), wk = 0.0023041 k( 192) = ( 0.0000000 0.0000000 0.3734276), wk = 0.0023041 k( 193) = ( 0.0000000 0.0000000 0.3844108), wk = 0.0023041 k( 194) = ( 0.0000000 0.0000000 0.3953939), wk = 0.0023041 k( 195) = ( 0.0000000 0.0000000 0.4063771), wk = 0.0023041 k( 196) = ( 0.0000000 0.0000000 0.4173603), wk = 0.0023041 k( 197) = ( 0.0000000 0.0000000 0.4283434), wk = 0.0023041 k( 198) = ( 0.0000000 0.0000000 0.4283434), wk = 0.0023041 k( 199) = ( 0.0000000 0.0111111 0.4283434), wk = 0.0023041 k( 200) = ( 0.0000000 0.0222222 0.4283434), wk = 0.0023041 k( 201) = ( 0.0000000 0.0333333 0.4283434), wk = 0.0023041 k( 202) = ( 0.0000000 0.0444444 0.4283434), wk = 0.0023041 k( 203) = ( 0.0000000 0.0555556 0.4283434), wk = 0.0023041 k( 204) = ( 0.0000000 0.0666667 0.4283434), wk = 0.0023041 k( 205) = ( 0.0000000 0.0777778 0.4283434), wk = 0.0023041 k( 206) = ( 0.0000000 0.0888889 0.4283434), wk = 0.0023041 k( 207) = ( 0.0000000 0.1000000 0.4283434), wk = 0.0023041 k( 208) = ( 0.0000000 0.1111111 0.4283434), wk = 0.0023041 k( 209) = ( 0.0000000 0.1222222 0.4283434), wk = 0.0023041 k( 210) = ( 0.0000000 0.1333333 0.4283434), wk = 0.0023041 k( 211) = ( 0.0000000 0.1444444 0.4283434), wk = 0.0023041 k( 212) = ( 0.0000000 0.1555556 0.4283434), wk = 0.0023041 k( 213) = ( 0.0000000 0.1666667 0.4283434), wk = 0.0023041 k( 214) = ( 0.0000000 0.1777778 0.4283434), wk = 0.0023041 k( 215) = ( 0.0000000 0.1888889 0.4283434), wk = 0.0023041 k( 216) = ( 0.0000000 0.2000000 0.4283434), wk = 0.0023041 k( 217) = ( 0.0000000 0.2111111 0.4283434), wk = 0.0023041 k( 218) = ( 0.0000000 0.2222222 0.4283434), wk = 0.0023041 k( 219) = ( 0.0000000 0.2333333 0.4283434), wk = 0.0023041 k( 220) = ( 0.0000000 0.2444444 0.4283434), wk = 0.0023041 k( 221) = ( 0.0000000 0.2555556 0.4283434), wk = 0.0023041 k( 222) = ( 0.0000000 0.2666667 0.4283434), wk = 0.0023041 k( 223) = ( 0.0000000 0.2777778 0.4283434), wk = 0.0023041 k( 224) = ( 0.0000000 0.2888889 0.4283434), wk = 0.0023041 k( 225) = ( 0.0000000 0.3000000 0.4283434), wk = 0.0023041 k( 226) = ( 0.0000000 0.3111111 0.4283434), wk = 0.0023041 k( 227) = ( 0.0000000 0.3222222 0.4283434), wk = 0.0023041 k( 228) = ( 0.0000000 0.3333333 0.4283434), wk = 0.0023041 k( 229) = ( 0.0000000 0.3444444 0.4283434), wk = 0.0023041 k( 230) = ( 0.0000000 0.3555556 0.4283434), wk = 0.0023041 k( 231) = ( 0.0000000 0.3666667 0.4283434), wk = 0.0023041 k( 232) = ( 0.0000000 0.3777778 0.4283434), wk = 0.0023041 k( 233) = ( 0.0000000 0.3888889 0.4283434), wk = 0.0023041 k( 234) = ( 0.0000000 0.4000000 0.4283434), wk = 0.0023041 k( 235) = ( 0.0000000 0.4111111 0.4283434), wk = 0.0023041 k( 236) = ( 0.0000000 0.4222222 0.4283434), wk = 0.0023041 k( 237) = ( 0.0000000 0.4333333 0.4283434), wk = 0.0023041 k( 238) = ( 0.0000000 0.4444444 0.4283434), wk = 0.0023041 k( 239) = ( 0.0000000 0.4555556 0.4283434), wk = 0.0023041 k( 240) = ( 0.0000000 0.4666667 0.4283434), wk = 0.0023041 k( 241) = ( 0.0000000 0.4777778 0.4283434), wk = 0.0023041 k( 242) = ( 0.0000000 0.4888889 0.4283434), wk = 0.0023041 k( 243) = ( 0.0000000 0.5000000 0.4283434), wk = 0.0023041 k( 244) = ( 0.0000000 0.5000000 0.4283434), wk = 0.0023041 k( 245) = ( 0.0111111 0.5000000 0.4283434), wk = 0.0023041 k( 246) = ( 0.0222222 0.5000000 0.4283434), wk = 0.0023041 k( 247) = ( 0.0333333 0.5000000 0.4283434), wk = 0.0023041 k( 248) = ( 0.0444444 0.5000000 0.4283434), wk = 0.0023041 k( 249) = ( 0.0555556 0.5000000 0.4283434), wk = 0.0023041 k( 250) = ( 0.0666667 0.5000000 0.4283434), wk = 0.0023041 k( 251) = ( 0.0777778 0.5000000 0.4283434), wk = 0.0023041 k( 252) = ( 0.0888889 0.5000000 0.4283434), wk = 0.0023041 k( 253) = ( 0.1000000 0.5000000 0.4283434), wk = 0.0023041 k( 254) = ( 0.1111111 0.5000000 0.4283434), wk = 0.0023041 k( 255) = ( 0.1222222 0.5000000 0.4283434), wk = 0.0023041 k( 256) = ( 0.1333333 0.5000000 0.4283434), wk = 0.0023041 k( 257) = ( 0.1444444 0.5000000 0.4283434), wk = 0.0023041 k( 258) = ( 0.1555556 0.5000000 0.4283434), wk = 0.0023041 k( 259) = ( 0.1666667 0.5000000 0.4283434), wk = 0.0023041 k( 260) = ( 0.1777778 0.5000000 0.4283434), wk = 0.0023041 k( 261) = ( 0.1888889 0.5000000 0.4283434), wk = 0.0023041 k( 262) = ( 0.2000000 0.5000000 0.4283434), wk = 0.0023041 k( 263) = ( 0.2111111 0.5000000 0.4283434), wk = 0.0023041 k( 264) = ( 0.2222222 0.5000000 0.4283434), wk = 0.0023041 k( 265) = ( 0.2333333 0.5000000 0.4283434), wk = 0.0023041 k( 266) = ( 0.2444444 0.5000000 0.4283434), wk = 0.0023041 k( 267) = ( 0.2555556 0.5000000 0.4283434), wk = 0.0023041 k( 268) = ( 0.2666667 0.5000000 0.4283434), wk = 0.0023041 k( 269) = ( 0.2777778 0.5000000 0.4283434), wk = 0.0023041 k( 270) = ( 0.2888889 0.5000000 0.4283434), wk = 0.0023041 k( 271) = ( 0.3000000 0.5000000 0.4283434), wk = 0.0023041 k( 272) = ( 0.3111111 0.5000000 0.4283434), wk = 0.0023041 k( 273) = ( 0.3222222 0.5000000 0.4283434), wk = 0.0023041 k( 274) = ( 0.3333333 0.5000000 0.4283434), wk = 0.0023041 k( 275) = ( 0.3444444 0.5000000 0.4283434), wk = 0.0023041 k( 276) = ( 0.3555556 0.5000000 0.4283434), wk = 0.0023041 k( 277) = ( 0.3666667 0.5000000 0.4283434), wk = 0.0023041 k( 278) = ( 0.3777778 0.5000000 0.4283434), wk = 0.0023041 k( 279) = ( 0.3888889 0.5000000 0.4283434), wk = 0.0023041 k( 280) = ( 0.4000000 0.5000000 0.4283434), wk = 0.0023041 k( 281) = ( 0.4111111 0.5000000 0.4283434), wk = 0.0023041 k( 282) = ( 0.4222222 0.5000000 0.4283434), wk = 0.0023041 k( 283) = ( 0.4333333 0.5000000 0.4283434), wk = 0.0023041 k( 284) = ( 0.4444444 0.5000000 0.4283434), wk = 0.0023041 k( 285) = ( 0.4555556 0.5000000 0.4283434), wk = 0.0023041 k( 286) = ( 0.4666667 0.5000000 0.4283434), wk = 0.0023041 k( 287) = ( 0.4777778 0.5000000 0.4283434), wk = 0.0023041 k( 288) = ( 0.4888889 0.5000000 0.4283434), wk = 0.0023041 k( 289) = ( 0.5000000 0.5000000 0.4283434), wk = 0.0023041 k( 290) = ( 0.5000000 0.5000000 0.4283434), wk = 0.0023041 k( 291) = ( 0.4921875 0.4921875 0.4283434), wk = 0.0023041 k( 292) = ( 0.4843750 0.4843750 0.4283434), wk = 0.0023041 k( 293) = ( 0.4765625 0.4765625 0.4283434), wk = 0.0023041 k( 294) = ( 0.4687500 0.4687500 0.4283434), wk = 0.0023041 k( 295) = ( 0.4609375 0.4609375 0.4283434), wk = 0.0023041 k( 296) = ( 0.4531250 0.4531250 0.4283434), wk = 0.0023041 k( 297) = ( 0.4453125 0.4453125 0.4283434), wk = 0.0023041 k( 298) = ( 0.4375000 0.4375000 0.4283434), wk = 0.0023041 k( 299) = ( 0.4296875 0.4296875 0.4283434), wk = 0.0023041 k( 300) = ( 0.4218750 0.4218750 0.4283434), wk = 0.0023041 k( 301) = ( 0.4140625 0.4140625 0.4283434), wk = 0.0023041 k( 302) = ( 0.4062500 0.4062500 0.4283434), wk = 0.0023041 k( 303) = ( 0.3984375 0.3984375 0.4283434), wk = 0.0023041 k( 304) = ( 0.3906250 0.3906250 0.4283434), wk = 0.0023041 k( 305) = ( 0.3828125 0.3828125 0.4283434), wk = 0.0023041 k( 306) = ( 0.3750000 0.3750000 0.4283434), wk = 0.0023041 k( 307) = ( 0.3671875 0.3671875 0.4283434), wk = 0.0023041 k( 308) = ( 0.3593750 0.3593750 0.4283434), wk = 0.0023041 k( 309) = ( 0.3515625 0.3515625 0.4283434), wk = 0.0023041 k( 310) = ( 0.3437500 0.3437500 0.4283434), wk = 0.0023041 k( 311) = ( 0.3359375 0.3359375 0.4283434), wk = 0.0023041 k( 312) = ( 0.3281250 0.3281250 0.4283434), wk = 0.0023041 k( 313) = ( 0.3203125 0.3203125 0.4283434), wk = 0.0023041 k( 314) = ( 0.3125000 0.3125000 0.4283434), wk = 0.0023041 k( 315) = ( 0.3046875 0.3046875 0.4283434), wk = 0.0023041 k( 316) = ( 0.2968750 0.2968750 0.4283434), wk = 0.0023041 k( 317) = ( 0.2890625 0.2890625 0.4283434), wk = 0.0023041 k( 318) = ( 0.2812500 0.2812500 0.4283434), wk = 0.0023041 k( 319) = ( 0.2734375 0.2734375 0.4283434), wk = 0.0023041 k( 320) = ( 0.2656250 0.2656250 0.4283434), wk = 0.0023041 k( 321) = ( 0.2578125 0.2578125 0.4283434), wk = 0.0023041 k( 322) = ( 0.2500000 0.2500000 0.4283434), wk = 0.0023041 k( 323) = ( 0.2421875 0.2421875 0.4283434), wk = 0.0023041 k( 324) = ( 0.2343750 0.2343750 0.4283434), wk = 0.0023041 k( 325) = ( 0.2265625 0.2265625 0.4283434), wk = 0.0023041 k( 326) = ( 0.2187500 0.2187500 0.4283434), wk = 0.0023041 k( 327) = ( 0.2109375 0.2109375 0.4283434), wk = 0.0023041 k( 328) = ( 0.2031250 0.2031250 0.4283434), wk = 0.0023041 k( 329) = ( 0.1953125 0.1953125 0.4283434), wk = 0.0023041 k( 330) = ( 0.1875000 0.1875000 0.4283434), wk = 0.0023041 k( 331) = ( 0.1796875 0.1796875 0.4283434), wk = 0.0023041 k( 332) = ( 0.1718750 0.1718750 0.4283434), wk = 0.0023041 k( 333) = ( 0.1640625 0.1640625 0.4283434), wk = 0.0023041 k( 334) = ( 0.1562500 0.1562500 0.4283434), wk = 0.0023041 k( 335) = ( 0.1484375 0.1484375 0.4283434), wk = 0.0023041 k( 336) = ( 0.1406250 0.1406250 0.4283434), wk = 0.0023041 k( 337) = ( 0.1328125 0.1328125 0.4283434), wk = 0.0023041 k( 338) = ( 0.1250000 0.1250000 0.4283434), wk = 0.0023041 k( 339) = ( 0.1171875 0.1171875 0.4283434), wk = 0.0023041 k( 340) = ( 0.1093750 0.1093750 0.4283434), wk = 0.0023041 k( 341) = ( 0.1015625 0.1015625 0.4283434), wk = 0.0023041 k( 342) = ( 0.0937500 0.0937500 0.4283434), wk = 0.0023041 k( 343) = ( 0.0859375 0.0859375 0.4283434), wk = 0.0023041 k( 344) = ( 0.0781250 0.0781250 0.4283434), wk = 0.0023041 k( 345) = ( 0.0703125 0.0703125 0.4283434), wk = 0.0023041 k( 346) = ( 0.0625000 0.0625000 0.4283434), wk = 0.0023041 k( 347) = ( 0.0546875 0.0546875 0.4283434), wk = 0.0023041 k( 348) = ( 0.0468750 0.0468750 0.4283434), wk = 0.0023041 k( 349) = ( 0.0390625 0.0390625 0.4283434), wk = 0.0023041 k( 350) = ( 0.0312500 0.0312500 0.4283434), wk = 0.0023041 k( 351) = ( 0.0234375 0.0234375 0.4283434), wk = 0.0023041 k( 352) = ( 0.0156250 0.0156250 0.4283434), wk = 0.0023041 k( 353) = ( 0.0078125 0.0078125 0.4283434), wk = 0.0023041 k( 354) = ( 0.0000000 0.0000000 0.4283434), wk = 0.0023041 k( 355) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0023041 k( 356) = ( 0.0000000 0.5000000 0.0109832), wk = 0.0023041 k( 357) = ( 0.0000000 0.5000000 0.0219663), wk = 0.0023041 k( 358) = ( 0.0000000 0.5000000 0.0329495), wk = 0.0023041 k( 359) = ( 0.0000000 0.5000000 0.0439327), wk = 0.0023041 k( 360) = ( 0.0000000 0.5000000 0.0549158), wk = 0.0023041 k( 361) = ( 0.0000000 0.5000000 0.0658990), wk = 0.0023041 k( 362) = ( 0.0000000 0.5000000 0.0768822), wk = 0.0023041 k( 363) = ( 0.0000000 0.5000000 0.0878653), wk = 0.0023041 k( 364) = ( 0.0000000 0.5000000 0.0988485), wk = 0.0023041 k( 365) = ( 0.0000000 0.5000000 0.1098317), wk = 0.0023041 k( 366) = ( 0.0000000 0.5000000 0.1208148), wk = 0.0023041 k( 367) = ( 0.0000000 0.5000000 0.1317980), wk = 0.0023041 k( 368) = ( 0.0000000 0.5000000 0.1427812), wk = 0.0023041 k( 369) = ( 0.0000000 0.5000000 0.1537643), wk = 0.0023041 k( 370) = ( 0.0000000 0.5000000 0.1647475), wk = 0.0023041 k( 371) = ( 0.0000000 0.5000000 0.1757306), wk = 0.0023041 k( 372) = ( 0.0000000 0.5000000 0.1867138), wk = 0.0023041 k( 373) = ( 0.0000000 0.5000000 0.1976970), wk = 0.0023041 k( 374) = ( 0.0000000 0.5000000 0.2086801), wk = 0.0023041 k( 375) = ( 0.0000000 0.5000000 0.2196633), wk = 0.0023041 k( 376) = ( 0.0000000 0.5000000 0.2306465), wk = 0.0023041 k( 377) = ( 0.0000000 0.5000000 0.2416296), wk = 0.0023041 k( 378) = ( 0.0000000 0.5000000 0.2526128), wk = 0.0023041 k( 379) = ( 0.0000000 0.5000000 0.2635960), wk = 0.0023041 k( 380) = ( 0.0000000 0.5000000 0.2745791), wk = 0.0023041 k( 381) = ( 0.0000000 0.5000000 0.2855623), wk = 0.0023041 k( 382) = ( 0.0000000 0.5000000 0.2965455), wk = 0.0023041 k( 383) = ( 0.0000000 0.5000000 0.3075286), wk = 0.0023041 k( 384) = ( 0.0000000 0.5000000 0.3185118), wk = 0.0023041 k( 385) = ( 0.0000000 0.5000000 0.3294950), wk = 0.0023041 k( 386) = ( 0.0000000 0.5000000 0.3404781), wk = 0.0023041 k( 387) = ( 0.0000000 0.5000000 0.3514613), wk = 0.0023041 k( 388) = ( 0.0000000 0.5000000 0.3624445), wk = 0.0023041 k( 389) = ( 0.0000000 0.5000000 0.3734276), wk = 0.0023041 k( 390) = ( 0.0000000 0.5000000 0.3844108), wk = 0.0023041 k( 391) = ( 0.0000000 0.5000000 0.3953939), wk = 0.0023041 k( 392) = ( 0.0000000 0.5000000 0.4063771), wk = 0.0023041 k( 393) = ( 0.0000000 0.5000000 0.4173603), wk = 0.0023041 k( 394) = ( 0.0000000 0.5000000 0.4283434), wk = 0.0023041 k( 395) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023041 k( 396) = ( 0.5000000 0.5000000 0.0109832), wk = 0.0023041 k( 397) = ( 0.5000000 0.5000000 0.0219663), wk = 0.0023041 k( 398) = ( 0.5000000 0.5000000 0.0329495), wk = 0.0023041 k( 399) = ( 0.5000000 0.5000000 0.0439327), wk = 0.0023041 k( 400) = ( 0.5000000 0.5000000 0.0549158), wk = 0.0023041 k( 401) = ( 0.5000000 0.5000000 0.0658990), wk = 0.0023041 k( 402) = ( 0.5000000 0.5000000 0.0768822), wk = 0.0023041 k( 403) = ( 0.5000000 0.5000000 0.0878653), wk = 0.0023041 k( 404) = ( 0.5000000 0.5000000 0.0988485), wk = 0.0023041 k( 405) = ( 0.5000000 0.5000000 0.1098317), wk = 0.0023041 k( 406) = ( 0.5000000 0.5000000 0.1208148), wk = 0.0023041 k( 407) = ( 0.5000000 0.5000000 0.1317980), wk = 0.0023041 k( 408) = ( 0.5000000 0.5000000 0.1427812), wk = 0.0023041 k( 409) = ( 0.5000000 0.5000000 0.1537643), wk = 0.0023041 k( 410) = ( 0.5000000 0.5000000 0.1647475), wk = 0.0023041 k( 411) = ( 0.5000000 0.5000000 0.1757306), wk = 0.0023041 k( 412) = ( 0.5000000 0.5000000 0.1867138), wk = 0.0023041 k( 413) = ( 0.5000000 0.5000000 0.1976970), wk = 0.0023041 k( 414) = ( 0.5000000 0.5000000 0.2086801), wk = 0.0023041 k( 415) = ( 0.5000000 0.5000000 0.2196633), wk = 0.0023041 k( 416) = ( 0.5000000 0.5000000 0.2306465), wk = 0.0023041 k( 417) = ( 0.5000000 0.5000000 0.2416296), wk = 0.0023041 k( 418) = ( 0.5000000 0.5000000 0.2526128), wk = 0.0023041 k( 419) = ( 0.5000000 0.5000000 0.2635960), wk = 0.0023041 k( 420) = ( 0.5000000 0.5000000 0.2745791), wk = 0.0023041 k( 421) = ( 0.5000000 0.5000000 0.2855623), wk = 0.0023041 k( 422) = ( 0.5000000 0.5000000 0.2965455), wk = 0.0023041 k( 423) = ( 0.5000000 0.5000000 0.3075286), wk = 0.0023041 k( 424) = ( 0.5000000 0.5000000 0.3185118), wk = 0.0023041 k( 425) = ( 0.5000000 0.5000000 0.3294950), wk = 0.0023041 k( 426) = ( 0.5000000 0.5000000 0.3404781), wk = 0.0023041 k( 427) = ( 0.5000000 0.5000000 0.3514613), wk = 0.0023041 k( 428) = ( 0.5000000 0.5000000 0.3624445), wk = 0.0023041 k( 429) = ( 0.5000000 0.5000000 0.3734276), wk = 0.0023041 k( 430) = ( 0.5000000 0.5000000 0.3844108), wk = 0.0023041 k( 431) = ( 0.5000000 0.5000000 0.3953939), wk = 0.0023041 k( 432) = ( 0.5000000 0.5000000 0.4063771), wk = 0.0023041 k( 433) = ( 0.5000000 0.5000000 0.4173603), wk = 0.0023041 k( 434) = ( 0.5000000 0.5000000 0.4283434), wk = 0.0023041 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023041 k( 2) = ( 0.0000000 0.0111111 -0.0000000), wk = 0.0023041 k( 3) = ( 0.0000000 0.0222222 -0.0000000), wk = 0.0023041 k( 4) = ( 0.0000000 0.0333333 0.0000000), wk = 0.0023041 k( 5) = ( 0.0000000 0.0444444 -0.0000000), wk = 0.0023041 k( 6) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0023041 k( 7) = ( 0.0000000 0.0666667 0.0000000), wk = 0.0023041 k( 8) = ( 0.0000000 0.0777778 0.0000000), wk = 0.0023041 k( 9) = ( 0.0000000 0.0888889 -0.0000000), wk = 0.0023041 k( 10) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0023041 k( 11) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0023041 k( 12) = ( 0.0000000 0.1222222 0.0000000), wk = 0.0023041 k( 13) = ( 0.0000000 0.1333333 0.0000000), wk = 0.0023041 k( 14) = ( 0.0000000 0.1444444 0.0000000), wk = 0.0023041 k( 15) = ( 0.0000000 0.1555556 0.0000000), wk = 0.0023041 k( 16) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0023041 k( 17) = ( 0.0000000 0.1777778 -0.0000000), wk = 0.0023041 k( 18) = ( 0.0000000 0.1888889 -0.0000000), wk = 0.0023041 k( 19) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0023041 k( 20) = ( 0.0000000 0.2111111 -0.0000000), wk = 0.0023041 k( 21) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0023041 k( 22) = ( 0.0000000 0.2333333 0.0000000), wk = 0.0023041 k( 23) = ( 0.0000000 0.2444444 0.0000000), wk = 0.0023041 k( 24) = ( 0.0000000 0.2555556 0.0000000), wk = 0.0023041 k( 25) = ( 0.0000000 0.2666667 -0.0000000), wk = 0.0023041 k( 26) = ( 0.0000000 0.2777778 0.0000000), wk = 0.0023041 k( 27) = ( 0.0000000 0.2888889 -0.0000000), wk = 0.0023041 k( 28) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0023041 k( 29) = ( 0.0000000 0.3111111 0.0000000), wk = 0.0023041 k( 30) = ( 0.0000000 0.3222222 0.0000000), wk = 0.0023041 k( 31) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0023041 k( 32) = ( 0.0000000 0.3444444 0.0000000), wk = 0.0023041 k( 33) = ( 0.0000000 0.3555556 -0.0000000), wk = 0.0023041 k( 34) = ( 0.0000000 0.3666667 -0.0000000), wk = 0.0023041 k( 35) = ( 0.0000000 0.3777778 -0.0000000), wk = 0.0023041 k( 36) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0023041 k( 37) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0023041 k( 38) = ( 0.0000000 0.4111111 -0.0000000), wk = 0.0023041 k( 39) = ( 0.0000000 0.4222222 -0.0000000), wk = 0.0023041 k( 40) = ( 0.0000000 0.4333333 -0.0000000), wk = 0.0023041 k( 41) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0023041 k( 42) = ( 0.0000000 0.4555556 0.0000000), wk = 0.0023041 k( 43) = ( 0.0000000 0.4666667 -0.0000000), wk = 0.0023041 k( 44) = ( 0.0000000 0.4777778 0.0000000), wk = 0.0023041 k( 45) = ( 0.0000000 0.4888889 0.0000000), wk = 0.0023041 k( 46) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023041 k( 47) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023041 k( 48) = ( 0.0111111 0.5000000 -0.0000000), wk = 0.0023041 k( 49) = ( 0.0222222 0.5000000 -0.0000000), wk = 0.0023041 k( 50) = ( 0.0333333 0.5000000 0.0000000), wk = 0.0023041 k( 51) = ( 0.0444444 0.5000000 0.0000000), wk = 0.0023041 k( 52) = ( 0.0555556 0.5000000 0.0000000), wk = 0.0023041 k( 53) = ( 0.0666667 0.5000000 -0.0000000), wk = 0.0023041 k( 54) = ( 0.0777778 0.5000000 -0.0000000), wk = 0.0023041 k( 55) = ( 0.0888889 0.5000000 -0.0000000), wk = 0.0023041 k( 56) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0023041 k( 57) = ( 0.1111111 0.5000000 0.0000000), wk = 0.0023041 k( 58) = ( 0.1222222 0.5000000 0.0000000), wk = 0.0023041 k( 59) = ( 0.1333333 0.5000000 0.0000000), wk = 0.0023041 k( 60) = ( 0.1444444 0.5000000 0.0000000), wk = 0.0023041 k( 61) = ( 0.1555556 0.5000000 -0.0000000), wk = 0.0023041 k( 62) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0023041 k( 63) = ( 0.1777778 0.5000000 -0.0000000), wk = 0.0023041 k( 64) = ( 0.1888889 0.5000000 0.0000000), wk = 0.0023041 k( 65) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0023041 k( 66) = ( 0.2111111 0.5000000 -0.0000000), wk = 0.0023041 k( 67) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0023041 k( 68) = ( 0.2333333 0.5000000 -0.0000000), wk = 0.0023041 k( 69) = ( 0.2444444 0.5000000 0.0000000), wk = 0.0023041 k( 70) = ( 0.2555556 0.5000000 0.0000000), wk = 0.0023041 k( 71) = ( 0.2666667 0.5000000 0.0000000), wk = 0.0023041 k( 72) = ( 0.2777778 0.5000000 0.0000000), wk = 0.0023041 k( 73) = ( 0.2888889 0.5000000 -0.0000000), wk = 0.0023041 k( 74) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0023041 k( 75) = ( 0.3111111 0.5000000 -0.0000000), wk = 0.0023041 k( 76) = ( 0.3222222 0.5000000 -0.0000000), wk = 0.0023041 k( 77) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0023041 k( 78) = ( 0.3444444 0.5000000 -0.0000000), wk = 0.0023041 k( 79) = ( 0.3555556 0.5000000 -0.0000000), wk = 0.0023041 k( 80) = ( 0.3666667 0.5000000 -0.0000000), wk = 0.0023041 k( 81) = ( 0.3777778 0.5000000 -0.0000000), wk = 0.0023041 k( 82) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0023041 k( 83) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0023041 k( 84) = ( 0.4111111 0.5000000 -0.0000000), wk = 0.0023041 k( 85) = ( 0.4222222 0.5000000 -0.0000000), wk = 0.0023041 k( 86) = ( 0.4333333 0.5000000 -0.0000000), wk = 0.0023041 k( 87) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0023041 k( 88) = ( 0.4555556 0.5000000 -0.0000000), wk = 0.0023041 k( 89) = ( 0.4666667 0.5000000 0.0000000), wk = 0.0023041 k( 90) = ( 0.4777778 0.5000000 -0.0000000), wk = 0.0023041 k( 91) = ( 0.4888889 0.5000000 -0.0000000), wk = 0.0023041 k( 92) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023041 k( 93) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023041 k( 94) = ( 0.4921875 0.4921875 -0.0000000), wk = 0.0023041 k( 95) = ( 0.4843750 0.4843750 -0.0000000), wk = 0.0023041 k( 96) = ( 0.4765625 0.4765625 -0.0000000), wk = 0.0023041 k( 97) = ( 0.4687500 0.4687500 -0.0000000), wk = 0.0023041 k( 98) = ( 0.4609375 0.4609375 -0.0000000), wk = 0.0023041 k( 99) = ( 0.4531250 0.4531250 -0.0000000), wk = 0.0023041 k( 100) = ( 0.4453125 0.4453125 -0.0000000), wk = 0.0023041 k( 101) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0023041 k( 102) = ( 0.4296875 0.4296875 0.0000000), wk = 0.0023041 k( 103) = ( 0.4218750 0.4218750 -0.0000000), wk = 0.0023041 k( 104) = ( 0.4140625 0.4140625 -0.0000000), wk = 0.0023041 k( 105) = ( 0.4062500 0.4062500 -0.0000000), wk = 0.0023041 k( 106) = ( 0.3984375 0.3984375 0.0000000), wk = 0.0023041 k( 107) = ( 0.3906250 0.3906250 0.0000000), wk = 0.0023041 k( 108) = ( 0.3828125 0.3828125 0.0000000), wk = 0.0023041 k( 109) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0023041 k( 110) = ( 0.3671875 0.3671875 -0.0000000), wk = 0.0023041 k( 111) = ( 0.3593750 0.3593750 -0.0000000), wk = 0.0023041 k( 112) = ( 0.3515625 0.3515625 -0.0000000), wk = 0.0023041 k( 113) = ( 0.3437500 0.3437500 -0.0000000), wk = 0.0023041 k( 114) = ( 0.3359375 0.3359375 0.0000000), wk = 0.0023041 k( 115) = ( 0.3281250 0.3281250 0.0000000), wk = 0.0023041 k( 116) = ( 0.3203125 0.3203125 -0.0000000), wk = 0.0023041 k( 117) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0023041 k( 118) = ( 0.3046875 0.3046875 0.0000000), wk = 0.0023041 k( 119) = ( 0.2968750 0.2968750 0.0000000), wk = 0.0023041 k( 120) = ( 0.2890625 0.2890625 -0.0000000), wk = 0.0023041 k( 121) = ( 0.2812500 0.2812500 -0.0000000), wk = 0.0023041 k( 122) = ( 0.2734375 0.2734375 -0.0000000), wk = 0.0023041 k( 123) = ( 0.2656250 0.2656250 -0.0000000), wk = 0.0023041 k( 124) = ( 0.2578125 0.2578125 0.0000000), wk = 0.0023041 k( 125) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0023041 k( 126) = ( 0.2421875 0.2421875 -0.0000000), wk = 0.0023041 k( 127) = ( 0.2343750 0.2343750 -0.0000000), wk = 0.0023041 k( 128) = ( 0.2265625 0.2265625 -0.0000000), wk = 0.0023041 k( 129) = ( 0.2187500 0.2187500 -0.0000000), wk = 0.0023041 k( 130) = ( 0.2109375 0.2109375 -0.0000000), wk = 0.0023041 k( 131) = ( 0.2031250 0.2031250 -0.0000000), wk = 0.0023041 k( 132) = ( 0.1953125 0.1953125 0.0000000), wk = 0.0023041 k( 133) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0023041 k( 134) = ( 0.1796875 0.1796875 -0.0000000), wk = 0.0023041 k( 135) = ( 0.1718750 0.1718750 -0.0000000), wk = 0.0023041 k( 136) = ( 0.1640625 0.1640625 0.0000000), wk = 0.0023041 k( 137) = ( 0.1562500 0.1562500 -0.0000000), wk = 0.0023041 k( 138) = ( 0.1484375 0.1484375 0.0000000), wk = 0.0023041 k( 139) = ( 0.1406250 0.1406250 -0.0000000), wk = 0.0023041 k( 140) = ( 0.1328125 0.1328125 -0.0000000), wk = 0.0023041 k( 141) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0023041 k( 142) = ( 0.1171875 0.1171875 -0.0000000), wk = 0.0023041 k( 143) = ( 0.1093750 0.1093750 -0.0000000), wk = 0.0023041 k( 144) = ( 0.1015625 0.1015625 -0.0000000), wk = 0.0023041 k( 145) = ( 0.0937500 0.0937500 -0.0000000), wk = 0.0023041 k( 146) = ( 0.0859375 0.0859375 -0.0000000), wk = 0.0023041 k( 147) = ( 0.0781250 0.0781250 -0.0000000), wk = 0.0023041 k( 148) = ( 0.0703125 0.0703125 -0.0000000), wk = 0.0023041 k( 149) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0023041 k( 150) = ( 0.0546875 0.0546875 -0.0000000), wk = 0.0023041 k( 151) = ( 0.0468750 0.0468750 -0.0000000), wk = 0.0023041 k( 152) = ( 0.0390625 0.0390625 -0.0000000), wk = 0.0023041 k( 153) = ( 0.0312500 0.0312500 -0.0000000), wk = 0.0023041 k( 154) = ( 0.0234375 0.0234375 -0.0000000), wk = 0.0023041 k( 155) = ( 0.0156250 0.0156250 -0.0000000), wk = 0.0023041 k( 156) = ( 0.0078125 0.0078125 -0.0000000), wk = 0.0023041 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023041 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023041 k( 159) = ( 0.0000000 0.0000000 0.0128205), wk = 0.0023041 k( 160) = ( 0.0000000 0.0000000 0.0256410), wk = 0.0023041 k( 161) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0023041 k( 162) = ( 0.0000000 0.0000000 0.0512821), wk = 0.0023041 k( 163) = ( 0.0000000 0.0000000 0.0641026), wk = 0.0023041 k( 164) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0023041 k( 165) = ( 0.0000000 0.0000000 0.0897436), wk = 0.0023041 k( 166) = ( 0.0000000 0.0000000 0.1025641), wk = 0.0023041 k( 167) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0023041 k( 168) = ( 0.0000000 0.0000000 0.1282051), wk = 0.0023041 k( 169) = ( 0.0000000 0.0000000 0.1410256), wk = 0.0023041 k( 170) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0023041 k( 171) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0023041 k( 172) = ( 0.0000000 0.0000000 0.1794872), wk = 0.0023041 k( 173) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0023041 k( 174) = ( 0.0000000 0.0000000 0.2051282), wk = 0.0023041 k( 175) = ( 0.0000000 0.0000000 0.2179487), wk = 0.0023041 k( 176) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0023041 k( 177) = ( 0.0000000 0.0000000 0.2435897), wk = 0.0023041 k( 178) = ( 0.0000000 0.0000000 0.2564103), wk = 0.0023041 k( 179) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0023041 k( 180) = ( 0.0000000 0.0000000 0.2820513), wk = 0.0023041 k( 181) = ( 0.0000000 0.0000000 0.2948718), wk = 0.0023041 k( 182) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0023041 k( 183) = ( 0.0000000 0.0000000 0.3205128), wk = 0.0023041 k( 184) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0023041 k( 185) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0023041 k( 186) = ( 0.0000000 0.0000000 0.3589744), wk = 0.0023041 k( 187) = ( 0.0000000 0.0000000 0.3717949), wk = 0.0023041 k( 188) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0023041 k( 189) = ( 0.0000000 0.0000000 0.3974359), wk = 0.0023041 k( 190) = ( 0.0000000 0.0000000 0.4102564), wk = 0.0023041 k( 191) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0023041 k( 192) = ( 0.0000000 0.0000000 0.4358974), wk = 0.0023041 k( 193) = ( 0.0000000 0.0000000 0.4487179), wk = 0.0023041 k( 194) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0023041 k( 195) = ( 0.0000000 0.0000000 0.4743590), wk = 0.0023041 k( 196) = ( 0.0000000 0.0000000 0.4871795), wk = 0.0023041 k( 197) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023041 k( 198) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023041 k( 199) = ( 0.0000000 0.0111111 0.5000000), wk = 0.0023041 k( 200) = ( 0.0000000 0.0222222 0.5000000), wk = 0.0023041 k( 201) = ( 0.0000000 0.0333333 0.5000000), wk = 0.0023041 k( 202) = ( 0.0000000 0.0444444 0.5000000), wk = 0.0023041 k( 203) = ( 0.0000000 0.0555556 0.5000000), wk = 0.0023041 k( 204) = ( 0.0000000 0.0666667 0.5000000), wk = 0.0023041 k( 205) = ( 0.0000000 0.0777778 0.5000000), wk = 0.0023041 k( 206) = ( 0.0000000 0.0888889 0.5000000), wk = 0.0023041 k( 207) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0023041 k( 208) = ( 0.0000000 0.1111111 0.5000000), wk = 0.0023041 k( 209) = ( 0.0000000 0.1222222 0.5000000), wk = 0.0023041 k( 210) = ( 0.0000000 0.1333333 0.5000000), wk = 0.0023041 k( 211) = ( 0.0000000 0.1444444 0.5000000), wk = 0.0023041 k( 212) = ( 0.0000000 0.1555556 0.5000000), wk = 0.0023041 k( 213) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0023041 k( 214) = ( 0.0000000 0.1777778 0.5000000), wk = 0.0023041 k( 215) = ( 0.0000000 0.1888889 0.5000000), wk = 0.0023041 k( 216) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0023041 k( 217) = ( 0.0000000 0.2111111 0.5000000), wk = 0.0023041 k( 218) = ( 0.0000000 0.2222222 0.5000000), wk = 0.0023041 k( 219) = ( 0.0000000 0.2333333 0.5000000), wk = 0.0023041 k( 220) = ( 0.0000000 0.2444444 0.5000000), wk = 0.0023041 k( 221) = ( 0.0000000 0.2555556 0.5000000), wk = 0.0023041 k( 222) = ( 0.0000000 0.2666667 0.5000000), wk = 0.0023041 k( 223) = ( 0.0000000 0.2777778 0.5000000), wk = 0.0023041 k( 224) = ( 0.0000000 0.2888889 0.5000000), wk = 0.0023041 k( 225) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0023041 k( 226) = ( 0.0000000 0.3111111 0.5000000), wk = 0.0023041 k( 227) = ( 0.0000000 0.3222222 0.5000000), wk = 0.0023041 k( 228) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0023041 k( 229) = ( 0.0000000 0.3444444 0.5000000), wk = 0.0023041 k( 230) = ( 0.0000000 0.3555556 0.5000000), wk = 0.0023041 k( 231) = ( 0.0000000 0.3666667 0.5000000), wk = 0.0023041 k( 232) = ( 0.0000000 0.3777778 0.5000000), wk = 0.0023041 k( 233) = ( 0.0000000 0.3888889 0.5000000), wk = 0.0023041 k( 234) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0023041 k( 235) = ( 0.0000000 0.4111111 0.5000000), wk = 0.0023041 k( 236) = ( 0.0000000 0.4222222 0.5000000), wk = 0.0023041 k( 237) = ( 0.0000000 0.4333333 0.5000000), wk = 0.0023041 k( 238) = ( 0.0000000 0.4444444 0.5000000), wk = 0.0023041 k( 239) = ( 0.0000000 0.4555556 0.5000000), wk = 0.0023041 k( 240) = ( 0.0000000 0.4666667 0.5000000), wk = 0.0023041 k( 241) = ( 0.0000000 0.4777778 0.5000000), wk = 0.0023041 k( 242) = ( 0.0000000 0.4888889 0.5000000), wk = 0.0023041 k( 243) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023041 k( 244) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023041 k( 245) = ( 0.0111111 0.5000000 0.5000000), wk = 0.0023041 k( 246) = ( 0.0222222 0.5000000 0.5000000), wk = 0.0023041 k( 247) = ( 0.0333333 0.5000000 0.5000000), wk = 0.0023041 k( 248) = ( 0.0444444 0.5000000 0.5000000), wk = 0.0023041 k( 249) = ( 0.0555556 0.5000000 0.5000000), wk = 0.0023041 k( 250) = ( 0.0666667 0.5000000 0.5000000), wk = 0.0023041 k( 251) = ( 0.0777778 0.5000000 0.5000000), wk = 0.0023041 k( 252) = ( 0.0888889 0.5000000 0.5000000), wk = 0.0023041 k( 253) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0023041 k( 254) = ( 0.1111111 0.5000000 0.5000000), wk = 0.0023041 k( 255) = ( 0.1222222 0.5000000 0.5000000), wk = 0.0023041 k( 256) = ( 0.1333333 0.5000000 0.5000000), wk = 0.0023041 k( 257) = ( 0.1444444 0.5000000 0.5000000), wk = 0.0023041 k( 258) = ( 0.1555556 0.5000000 0.5000000), wk = 0.0023041 k( 259) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0023041 k( 260) = ( 0.1777778 0.5000000 0.5000000), wk = 0.0023041 k( 261) = ( 0.1888889 0.5000000 0.5000000), wk = 0.0023041 k( 262) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0023041 k( 263) = ( 0.2111111 0.5000000 0.5000000), wk = 0.0023041 k( 264) = ( 0.2222222 0.5000000 0.5000000), wk = 0.0023041 k( 265) = ( 0.2333333 0.5000000 0.5000000), wk = 0.0023041 k( 266) = ( 0.2444444 0.5000000 0.5000000), wk = 0.0023041 k( 267) = ( 0.2555556 0.5000000 0.5000000), wk = 0.0023041 k( 268) = ( 0.2666667 0.5000000 0.5000000), wk = 0.0023041 k( 269) = ( 0.2777778 0.5000000 0.5000000), wk = 0.0023041 k( 270) = ( 0.2888889 0.5000000 0.5000000), wk = 0.0023041 k( 271) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0023041 k( 272) = ( 0.3111111 0.5000000 0.5000000), wk = 0.0023041 k( 273) = ( 0.3222222 0.5000000 0.5000000), wk = 0.0023041 k( 274) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0023041 k( 275) = ( 0.3444444 0.5000000 0.5000000), wk = 0.0023041 k( 276) = ( 0.3555556 0.5000000 0.5000000), wk = 0.0023041 k( 277) = ( 0.3666667 0.5000000 0.5000000), wk = 0.0023041 k( 278) = ( 0.3777778 0.5000000 0.5000000), wk = 0.0023041 k( 279) = ( 0.3888889 0.5000000 0.5000000), wk = 0.0023041 k( 280) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0023041 k( 281) = ( 0.4111111 0.5000000 0.5000000), wk = 0.0023041 k( 282) = ( 0.4222222 0.5000000 0.5000000), wk = 0.0023041 k( 283) = ( 0.4333333 0.5000000 0.5000000), wk = 0.0023041 k( 284) = ( 0.4444444 0.5000000 0.5000000), wk = 0.0023041 k( 285) = ( 0.4555556 0.5000000 0.5000000), wk = 0.0023041 k( 286) = ( 0.4666667 0.5000000 0.5000000), wk = 0.0023041 k( 287) = ( 0.4777778 0.5000000 0.5000000), wk = 0.0023041 k( 288) = ( 0.4888889 0.5000000 0.5000000), wk = 0.0023041 k( 289) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023041 k( 290) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023041 k( 291) = ( 0.4921875 0.4921875 0.5000000), wk = 0.0023041 k( 292) = ( 0.4843750 0.4843750 0.5000000), wk = 0.0023041 k( 293) = ( 0.4765625 0.4765625 0.5000000), wk = 0.0023041 k( 294) = ( 0.4687500 0.4687500 0.5000000), wk = 0.0023041 k( 295) = ( 0.4609375 0.4609375 0.5000000), wk = 0.0023041 k( 296) = ( 0.4531250 0.4531250 0.5000000), wk = 0.0023041 k( 297) = ( 0.4453125 0.4453125 0.5000000), wk = 0.0023041 k( 298) = ( 0.4375000 0.4375000 0.5000000), wk = 0.0023041 k( 299) = ( 0.4296875 0.4296875 0.5000000), wk = 0.0023041 k( 300) = ( 0.4218750 0.4218750 0.5000000), wk = 0.0023041 k( 301) = ( 0.4140625 0.4140625 0.5000000), wk = 0.0023041 k( 302) = ( 0.4062500 0.4062500 0.5000000), wk = 0.0023041 k( 303) = ( 0.3984375 0.3984375 0.5000000), wk = 0.0023041 k( 304) = ( 0.3906250 0.3906250 0.5000000), wk = 0.0023041 k( 305) = ( 0.3828125 0.3828125 0.5000000), wk = 0.0023041 k( 306) = ( 0.3750000 0.3750000 0.5000000), wk = 0.0023041 k( 307) = ( 0.3671875 0.3671875 0.5000000), wk = 0.0023041 k( 308) = ( 0.3593750 0.3593750 0.5000000), wk = 0.0023041 k( 309) = ( 0.3515625 0.3515625 0.5000000), wk = 0.0023041 k( 310) = ( 0.3437500 0.3437500 0.5000000), wk = 0.0023041 k( 311) = ( 0.3359375 0.3359375 0.5000000), wk = 0.0023041 k( 312) = ( 0.3281250 0.3281250 0.5000000), wk = 0.0023041 k( 313) = ( 0.3203125 0.3203125 0.5000000), wk = 0.0023041 k( 314) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0023041 k( 315) = ( 0.3046875 0.3046875 0.5000000), wk = 0.0023041 k( 316) = ( 0.2968750 0.2968750 0.5000000), wk = 0.0023041 k( 317) = ( 0.2890625 0.2890625 0.5000000), wk = 0.0023041 k( 318) = ( 0.2812500 0.2812500 0.5000000), wk = 0.0023041 k( 319) = ( 0.2734375 0.2734375 0.5000000), wk = 0.0023041 k( 320) = ( 0.2656250 0.2656250 0.5000000), wk = 0.0023041 k( 321) = ( 0.2578125 0.2578125 0.5000000), wk = 0.0023041 k( 322) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0023041 k( 323) = ( 0.2421875 0.2421875 0.5000000), wk = 0.0023041 k( 324) = ( 0.2343750 0.2343750 0.5000000), wk = 0.0023041 k( 325) = ( 0.2265625 0.2265625 0.5000000), wk = 0.0023041 k( 326) = ( 0.2187500 0.2187500 0.5000000), wk = 0.0023041 k( 327) = ( 0.2109375 0.2109375 0.5000000), wk = 0.0023041 k( 328) = ( 0.2031250 0.2031250 0.5000000), wk = 0.0023041 k( 329) = ( 0.1953125 0.1953125 0.5000000), wk = 0.0023041 k( 330) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0023041 k( 331) = ( 0.1796875 0.1796875 0.5000000), wk = 0.0023041 k( 332) = ( 0.1718750 0.1718750 0.5000000), wk = 0.0023041 k( 333) = ( 0.1640625 0.1640625 0.5000000), wk = 0.0023041 k( 334) = ( 0.1562500 0.1562500 0.5000000), wk = 0.0023041 k( 335) = ( 0.1484375 0.1484375 0.5000000), wk = 0.0023041 k( 336) = ( 0.1406250 0.1406250 0.5000000), wk = 0.0023041 k( 337) = ( 0.1328125 0.1328125 0.5000000), wk = 0.0023041 k( 338) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0023041 k( 339) = ( 0.1171875 0.1171875 0.5000000), wk = 0.0023041 k( 340) = ( 0.1093750 0.1093750 0.5000000), wk = 0.0023041 k( 341) = ( 0.1015625 0.1015625 0.5000000), wk = 0.0023041 k( 342) = ( 0.0937500 0.0937500 0.5000000), wk = 0.0023041 k( 343) = ( 0.0859375 0.0859375 0.5000000), wk = 0.0023041 k( 344) = ( 0.0781250 0.0781250 0.5000000), wk = 0.0023041 k( 345) = ( 0.0703125 0.0703125 0.5000000), wk = 0.0023041 k( 346) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0023041 k( 347) = ( 0.0546875 0.0546875 0.5000000), wk = 0.0023041 k( 348) = ( 0.0468750 0.0468750 0.5000000), wk = 0.0023041 k( 349) = ( 0.0390625 0.0390625 0.5000000), wk = 0.0023041 k( 350) = ( 0.0312500 0.0312500 0.5000000), wk = 0.0023041 k( 351) = ( 0.0234375 0.0234375 0.5000000), wk = 0.0023041 k( 352) = ( 0.0156250 0.0156250 0.5000000), wk = 0.0023041 k( 353) = ( 0.0078125 0.0078125 0.5000000), wk = 0.0023041 k( 354) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023041 k( 355) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023041 k( 356) = ( 0.0000000 0.5000000 0.0128205), wk = 0.0023041 k( 357) = ( 0.0000000 0.5000000 0.0256410), wk = 0.0023041 k( 358) = ( 0.0000000 0.5000000 0.0384615), wk = 0.0023041 k( 359) = ( 0.0000000 0.5000000 0.0512821), wk = 0.0023041 k( 360) = ( 0.0000000 0.5000000 0.0641026), wk = 0.0023041 k( 361) = ( 0.0000000 0.5000000 0.0769231), wk = 0.0023041 k( 362) = ( 0.0000000 0.5000000 0.0897436), wk = 0.0023041 k( 363) = ( 0.0000000 0.5000000 0.1025641), wk = 0.0023041 k( 364) = ( 0.0000000 0.5000000 0.1153846), wk = 0.0023041 k( 365) = ( 0.0000000 0.5000000 0.1282051), wk = 0.0023041 k( 366) = ( 0.0000000 0.5000000 0.1410256), wk = 0.0023041 k( 367) = ( 0.0000000 0.5000000 0.1538461), wk = 0.0023041 k( 368) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0023041 k( 369) = ( 0.0000000 0.5000000 0.1794872), wk = 0.0023041 k( 370) = ( 0.0000000 0.5000000 0.1923077), wk = 0.0023041 k( 371) = ( 0.0000000 0.5000000 0.2051282), wk = 0.0023041 k( 372) = ( 0.0000000 0.5000000 0.2179487), wk = 0.0023041 k( 373) = ( 0.0000000 0.5000000 0.2307692), wk = 0.0023041 k( 374) = ( 0.0000000 0.5000000 0.2435897), wk = 0.0023041 k( 375) = ( 0.0000000 0.5000000 0.2564103), wk = 0.0023041 k( 376) = ( 0.0000000 0.5000000 0.2692308), wk = 0.0023041 k( 377) = ( 0.0000000 0.5000000 0.2820513), wk = 0.0023041 k( 378) = ( 0.0000000 0.5000000 0.2948718), wk = 0.0023041 k( 379) = ( 0.0000000 0.5000000 0.3076923), wk = 0.0023041 k( 380) = ( 0.0000000 0.5000000 0.3205128), wk = 0.0023041 k( 381) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0023041 k( 382) = ( 0.0000000 0.5000000 0.3461538), wk = 0.0023041 k( 383) = ( 0.0000000 0.5000000 0.3589744), wk = 0.0023041 k( 384) = ( 0.0000000 0.5000000 0.3717949), wk = 0.0023041 k( 385) = ( 0.0000000 0.5000000 0.3846154), wk = 0.0023041 k( 386) = ( 0.0000000 0.5000000 0.3974359), wk = 0.0023041 k( 387) = ( 0.0000000 0.5000000 0.4102564), wk = 0.0023041 k( 388) = ( 0.0000000 0.5000000 0.4230769), wk = 0.0023041 k( 389) = ( 0.0000000 0.5000000 0.4358974), wk = 0.0023041 k( 390) = ( 0.0000000 0.5000000 0.4487179), wk = 0.0023041 k( 391) = ( 0.0000000 0.5000000 0.4615385), wk = 0.0023041 k( 392) = ( 0.0000000 0.5000000 0.4743590), wk = 0.0023041 k( 393) = ( 0.0000000 0.5000000 0.4871795), wk = 0.0023041 k( 394) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023041 k( 395) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023041 k( 396) = ( 0.5000000 0.5000000 0.0128205), wk = 0.0023041 k( 397) = ( 0.5000000 0.5000000 0.0256410), wk = 0.0023041 k( 398) = ( 0.5000000 0.5000000 0.0384615), wk = 0.0023041 k( 399) = ( 0.5000000 0.5000000 0.0512821), wk = 0.0023041 k( 400) = ( 0.5000000 0.5000000 0.0641026), wk = 0.0023041 k( 401) = ( 0.5000000 0.5000000 0.0769231), wk = 0.0023041 k( 402) = ( 0.5000000 0.5000000 0.0897436), wk = 0.0023041 k( 403) = ( 0.5000000 0.5000000 0.1025641), wk = 0.0023041 k( 404) = ( 0.5000000 0.5000000 0.1153846), wk = 0.0023041 k( 405) = ( 0.5000000 0.5000000 0.1282051), wk = 0.0023041 k( 406) = ( 0.5000000 0.5000000 0.1410256), wk = 0.0023041 k( 407) = ( 0.5000000 0.5000000 0.1538462), wk = 0.0023041 k( 408) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0023041 k( 409) = ( 0.5000000 0.5000000 0.1794872), wk = 0.0023041 k( 410) = ( 0.5000000 0.5000000 0.1923077), wk = 0.0023041 k( 411) = ( 0.5000000 0.5000000 0.2051282), wk = 0.0023041 k( 412) = ( 0.5000000 0.5000000 0.2179487), wk = 0.0023041 k( 413) = ( 0.5000000 0.5000000 0.2307692), wk = 0.0023041 k( 414) = ( 0.5000000 0.5000000 0.2435897), wk = 0.0023041 k( 415) = ( 0.5000000 0.5000000 0.2564103), wk = 0.0023041 k( 416) = ( 0.5000000 0.5000000 0.2692308), wk = 0.0023041 k( 417) = ( 0.5000000 0.5000000 0.2820513), wk = 0.0023041 k( 418) = ( 0.5000000 0.5000000 0.2948718), wk = 0.0023041 k( 419) = ( 0.5000000 0.5000000 0.3076923), wk = 0.0023041 k( 420) = ( 0.5000000 0.5000000 0.3205128), wk = 0.0023041 k( 421) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0023041 k( 422) = ( 0.5000000 0.5000000 0.3461538), wk = 0.0023041 k( 423) = ( 0.5000000 0.5000000 0.3589744), wk = 0.0023041 k( 424) = ( 0.5000000 0.5000000 0.3717949), wk = 0.0023041 k( 425) = ( 0.5000000 0.5000000 0.3846154), wk = 0.0023041 k( 426) = ( 0.5000000 0.5000000 0.3974359), wk = 0.0023041 k( 427) = ( 0.5000000 0.5000000 0.4102564), wk = 0.0023041 k( 428) = ( 0.5000000 0.5000000 0.4230769), wk = 0.0023041 k( 429) = ( 0.5000000 0.5000000 0.4358974), wk = 0.0023041 k( 430) = ( 0.5000000 0.5000000 0.4487179), wk = 0.0023041 k( 431) = ( 0.5000000 0.5000000 0.4615385), wk = 0.0023041 k( 432) = ( 0.5000000 0.5000000 0.4743590), wk = 0.0023041 k( 433) = ( 0.5000000 0.5000000 0.4871795), wk = 0.0023041 k( 434) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023041 Dense grid: 34221 G-vectors FFT dimensions: ( 40, 40, 45) Smooth grid: 14945 G-vectors FFT dimensions: ( 30, 30, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 118, 40) NL pseudopotentials 0.08 Mb ( 59, 84) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 950) G-vector shells 0.00 Mb ( 421) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.29 Mb ( 118, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.10 Mb ( 84, 2, 40) Check: negative/imaginary core charge= -0.000010 0.000000 The potential is recalculated from file : ./CO2.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.5 secs Computing kpt #: 2 total cpu time spent up to now is 1.7 secs Computing kpt #: 3 total cpu time spent up to now is 1.9 secs Computing kpt #: 4 total cpu time spent up to now is 2.1 secs Computing kpt #: 5 total cpu time spent up to now is 2.4 secs Computing kpt #: 6 total cpu time spent up to now is 2.6 secs Computing kpt #: 7 total cpu time spent up to now is 2.8 secs Computing kpt #: 8 total cpu time spent up to now is 3.0 secs Computing kpt #: 9 total cpu time spent up to now is 3.2 secs Computing kpt #: 10 total cpu time spent up to now is 3.4 secs Computing kpt #: 11 total cpu time spent up to now is 3.6 secs Computing kpt #: 12 total cpu time spent up to now is 3.8 secs Computing kpt #: 13 total cpu time spent up to now is 4.0 secs Computing kpt #: 14 total cpu time spent up to now is 4.2 secs Computing kpt #: 15 total cpu time spent up to now is 4.4 secs Computing kpt #: 16 total cpu time spent up to now is 4.7 secs Computing kpt #: 17 total cpu time spent up to now is 4.9 secs Computing kpt #: 18 total cpu time spent up to now is 5.1 secs Computing kpt #: 19 total cpu time spent up to now is 5.3 secs Computing kpt #: 20 total cpu time spent up to now is 5.5 secs Computing kpt #: 21 total cpu time spent up to now is 5.7 secs Computing kpt #: 22 total cpu time spent up to now is 6.0 secs Computing kpt #: 23 total cpu time spent up to now is 6.2 secs Computing kpt #: 24 total cpu time spent up to now is 6.4 secs Computing kpt #: 25 total cpu time spent up to now is 6.6 secs Computing kpt #: 26 total cpu time spent up to now is 6.8 secs Computing kpt #: 27 total cpu time spent up to now is 7.1 secs Computing kpt #: 28 total cpu time spent up to now is 7.3 secs Computing kpt #: 29 total cpu time spent up to now is 7.5 secs Computing kpt #: 30 total cpu time spent up to now is 7.7 secs Computing kpt #: 31 total cpu time spent up to now is 7.8 secs Computing kpt #: 32 total cpu time spent up to now is 8.0 secs Computing kpt #: 33 total cpu time spent up to now is 8.2 secs Computing kpt #: 34 total cpu time spent up to now is 8.4 secs Computing kpt #: 35 total cpu time spent up to now is 8.6 secs Computing kpt #: 36 total cpu time spent up to now is 8.8 secs Computing kpt #: 37 total cpu time spent up to now is 9.0 secs Computing kpt #: 38 total cpu time spent up to now is 9.1 secs Computing kpt #: 39 total cpu time spent up to now is 9.3 secs Computing kpt #: 40 total cpu time spent up to now is 9.5 secs Computing kpt #: 41 total cpu time spent up to now is 9.7 secs Computing kpt #: 42 total cpu time spent up to now is 9.8 secs Computing kpt #: 43 total cpu time spent up to now is 10.0 secs Computing kpt #: 44 total cpu time spent up to now is 10.2 secs Computing kpt #: 45 total cpu time spent up to now is 10.4 secs Computing kpt #: 46 total cpu time spent up to now is 10.5 secs Computing kpt #: 47 total cpu time spent up to now is 10.7 secs Computing kpt #: 48 total cpu time spent up to now is 10.9 secs Computing kpt #: 49 total cpu time spent up to now is 11.1 secs Computing kpt #: 50 total cpu time spent up to now is 11.2 secs Computing kpt #: 51 total cpu time spent up to now is 11.4 secs Computing kpt #: 52 total cpu time spent up to now is 11.6 secs Computing kpt #: 53 total cpu time spent up to now is 11.8 secs Computing kpt #: 54 total cpu time spent up to now is 11.9 secs Computing kpt #: 55 total cpu time spent up to now is 12.1 secs Computing kpt #: 56 total cpu time spent up to now is 12.3 secs Computing kpt #: 57 total cpu time spent up to now is 12.5 secs Computing kpt #: 58 total cpu time spent up to now is 12.7 secs Computing kpt #: 59 total cpu time spent up to now is 12.8 secs Computing kpt #: 60 total cpu time spent up to now is 13.0 secs Computing kpt #: 61 total cpu time spent up to now is 13.2 secs Computing kpt #: 62 total cpu time spent up to now is 13.4 secs Computing kpt #: 63 total cpu time spent up to now is 13.6 secs Computing kpt #: 64 total cpu time spent up to now is 13.8 secs Computing kpt #: 65 total cpu time spent up to now is 14.0 secs Computing kpt #: 66 total cpu time spent up to now is 14.2 secs Computing kpt #: 67 total cpu time spent up to now is 14.3 secs Computing kpt #: 68 total cpu time spent up to now is 14.5 secs Computing kpt #: 69 total cpu time spent up to now is 14.7 secs Computing kpt #: 70 total cpu time spent up to now is 14.9 secs Computing kpt #: 71 total cpu time spent up to now is 15.1 secs Computing kpt #: 72 total cpu time spent up to now is 15.3 secs Computing kpt #: 73 total cpu time spent up to now is 15.4 secs Computing kpt #: 74 total cpu time spent up to now is 15.6 secs Computing kpt #: 75 total cpu time spent up to now is 15.8 secs Computing kpt #: 76 total cpu time spent up to now is 16.0 secs Computing kpt #: 77 total cpu time spent up to now is 16.2 secs Computing kpt #: 78 total cpu time spent up to now is 16.4 secs Computing kpt #: 79 total cpu time spent up to now is 16.5 secs Computing kpt #: 80 total cpu time spent up to now is 16.7 secs Computing kpt #: 81 total cpu time spent up to now is 16.9 secs Computing kpt #: 82 total cpu time spent up to now is 17.1 secs Computing kpt #: 83 total cpu time spent up to now is 17.3 secs Computing kpt #: 84 total cpu time spent up to now is 17.5 secs Computing kpt #: 85 total cpu time spent up to now is 17.7 secs Computing kpt #: 86 total cpu time spent up to now is 17.8 secs Computing kpt #: 87 total cpu time spent up to now is 18.0 secs Computing kpt #: 88 total cpu time spent up to now is 18.2 secs Computing kpt #: 89 total cpu time spent up to now is 18.4 secs Computing kpt #: 90 total cpu time spent up to now is 18.5 secs Computing kpt #: 91 total cpu time spent up to now is 18.7 secs Computing kpt #: 92 total cpu time spent up to now is 18.9 secs Computing kpt #: 93 total cpu time spent up to now is 19.0 secs Computing kpt #: 94 total cpu time spent up to now is 19.2 secs Computing kpt #: 95 total cpu time spent up to now is 19.3 secs Computing kpt #: 96 total cpu time spent up to now is 19.5 secs Computing kpt #: 97 total cpu time spent up to now is 19.7 secs Computing kpt #: 98 total cpu time spent up to now is 19.9 secs Computing kpt #: 99 total cpu time spent up to now is 20.1 secs Computing kpt #: 100 total cpu time spent up to now is 20.3 secs Computing kpt #: 101 total cpu time spent up to now is 20.5 secs Computing kpt #: 102 total cpu time spent up to now is 20.6 secs Computing kpt #: 103 total cpu time spent up to now is 20.8 secs Computing kpt #: 104 total cpu time spent up to now is 21.0 secs Computing kpt #: 105 total cpu time spent up to now is 21.2 secs Computing kpt #: 106 total cpu time spent up to now is 21.4 secs Computing kpt #: 107 total cpu time spent up to now is 21.6 secs Computing kpt #: 108 total cpu time spent up to now is 21.8 secs Computing kpt #: 109 total cpu time spent up to now is 21.9 secs Computing kpt #: 110 total cpu time spent up to now is 22.1 secs Computing kpt #: 111 total cpu time spent up to now is 22.3 secs Computing kpt #: 112 total cpu time spent up to now is 22.5 secs Computing kpt #: 113 total cpu time spent up to now is 22.7 secs Computing kpt #: 114 total cpu time spent up to now is 22.9 secs Computing kpt #: 115 total cpu time spent up to now is 23.1 secs Computing kpt #: 116 total cpu time spent up to now is 23.3 secs Computing kpt #: 117 total cpu time spent up to now is 23.5 secs Computing kpt #: 118 total cpu time spent up to now is 23.7 secs Computing kpt #: 119 total cpu time spent up to now is 23.9 secs Computing kpt #: 120 total cpu time spent up to now is 24.1 secs Computing kpt #: 121 total cpu time spent up to now is 24.3 secs Computing kpt #: 122 total cpu time spent up to now is 24.4 secs Computing kpt #: 123 total cpu time spent up to now is 24.6 secs Computing kpt #: 124 total cpu time spent up to now is 24.8 secs Computing kpt #: 125 total cpu time spent up to now is 25.0 secs Computing kpt #: 126 total cpu time spent up to now is 25.2 secs Computing kpt #: 127 total cpu time spent up to now is 25.4 secs Computing kpt #: 128 total cpu time spent up to now is 25.6 secs Computing kpt #: 129 total cpu time spent up to now is 25.8 secs Computing kpt #: 130 total cpu time spent up to now is 26.1 secs Computing kpt #: 131 total cpu time spent up to now is 26.3 secs Computing kpt #: 132 total cpu time spent up to now is 26.5 secs Computing kpt #: 133 total cpu time spent up to now is 26.7 secs Computing kpt #: 134 total cpu time spent up to now is 26.9 secs Computing kpt #: 135 total cpu time spent up to now is 27.2 secs Computing kpt #: 136 total cpu time spent up to now is 27.4 secs Computing kpt #: 137 total cpu time spent up to now is 27.6 secs Computing kpt #: 138 total cpu time spent up to now is 27.8 secs Computing kpt #: 139 total cpu time spent up to now is 28.0 secs Computing kpt #: 140 total cpu time spent up to now is 28.3 secs Computing kpt #: 141 total cpu time spent up to now is 28.5 secs Computing kpt #: 142 total cpu time spent up to now is 28.7 secs Computing kpt #: 143 total cpu time spent up to now is 28.9 secs Computing kpt #: 144 total cpu time spent up to now is 29.1 secs Computing kpt #: 145 total cpu time spent up to now is 29.3 secs Computing kpt #: 146 total cpu time spent up to now is 29.5 secs Computing kpt #: 147 total cpu time spent up to now is 29.7 secs Computing kpt #: 148 total cpu time spent up to now is 29.9 secs Computing kpt #: 149 total cpu time spent up to now is 30.2 secs Computing kpt #: 150 total cpu time spent up to now is 30.4 secs Computing kpt #: 151 total cpu time spent up to now is 30.6 secs Computing kpt #: 152 total cpu time spent up to now is 30.8 secs Computing kpt #: 153 total cpu time spent up to now is 31.0 secs Computing kpt #: 154 total cpu time spent up to now is 31.2 secs Computing kpt #: 155 total cpu time spent up to now is 31.4 secs Computing kpt #: 156 total cpu time spent up to now is 31.6 secs Computing kpt #: 157 total cpu time spent up to now is 31.8 secs Computing kpt #: 158 total cpu time spent up to now is 32.0 secs Computing kpt #: 159 total cpu time spent up to now is 32.3 secs Computing kpt #: 160 total cpu time spent up to now is 32.4 secs Computing kpt #: 161 total cpu time spent up to now is 32.7 secs Computing kpt #: 162 total cpu time spent up to now is 32.9 secs Computing kpt #: 163 total cpu time spent up to now is 33.1 secs Computing kpt #: 164 total cpu time spent up to now is 33.3 secs Computing kpt #: 165 total cpu time spent up to now is 33.5 secs Computing kpt #: 166 total cpu time spent up to now is 33.7 secs Computing kpt #: 167 total cpu time spent up to now is 33.9 secs Computing kpt #: 168 total cpu time spent up to now is 34.1 secs Computing kpt #: 169 total cpu time spent up to now is 34.3 secs Computing kpt #: 170 total cpu time spent up to now is 34.5 secs Computing kpt #: 171 total cpu time spent up to now is 34.8 secs Computing kpt #: 172 total cpu time spent up to now is 35.0 secs Computing kpt #: 173 total cpu time spent up to now is 35.2 secs Computing kpt #: 174 total cpu time spent up to now is 35.4 secs Computing kpt #: 175 total cpu time spent up to now is 35.6 secs Computing kpt #: 176 total cpu time spent up to now is 35.8 secs Computing kpt #: 177 total cpu time spent up to now is 36.1 secs Computing kpt #: 178 total cpu time spent up to now is 36.3 secs Computing kpt #: 179 total cpu time spent up to now is 36.5 secs Computing kpt #: 180 total cpu time spent up to now is 36.7 secs Computing kpt #: 181 total cpu time spent up to now is 36.9 secs Computing kpt #: 182 total cpu time spent up to now is 37.2 secs Computing kpt #: 183 total cpu time spent up to now is 37.4 secs Computing kpt #: 184 total cpu time spent up to now is 37.6 secs Computing kpt #: 185 total cpu time spent up to now is 37.8 secs Computing kpt #: 186 total cpu time spent up to now is 38.0 secs Computing kpt #: 187 total cpu time spent up to now is 38.2 secs Computing kpt #: 188 total cpu time spent up to now is 38.4 secs Computing kpt #: 189 total cpu time spent up to now is 38.6 secs Computing kpt #: 190 total cpu time spent up to now is 38.8 secs Computing kpt #: 191 total cpu time spent up to now is 39.0 secs Computing kpt #: 192 total cpu time spent up to now is 39.2 secs Computing kpt #: 193 total cpu time spent up to now is 39.4 secs Computing kpt #: 194 total cpu time spent up to now is 39.6 secs Computing kpt #: 195 total cpu time spent up to now is 39.8 secs Computing kpt #: 196 total cpu time spent up to now is 40.0 secs Computing kpt #: 197 total cpu time spent up to now is 40.2 secs Computing kpt #: 198 total cpu time spent up to now is 40.4 secs Computing kpt #: 199 total cpu time spent up to now is 40.6 secs Computing kpt #: 200 total cpu time spent up to now is 40.7 secs Computing kpt #: 201 total cpu time spent up to now is 40.9 secs Computing kpt #: 202 total cpu time spent up to now is 41.1 secs Computing kpt #: 203 total cpu time spent up to now is 41.3 secs Computing kpt #: 204 total cpu time spent up to now is 41.5 secs Computing kpt #: 205 total cpu time spent up to now is 41.7 secs Computing kpt #: 206 total cpu time spent up to now is 41.9 secs Computing kpt #: 207 total cpu time spent up to now is 42.1 secs Computing kpt #: 208 total cpu time spent up to now is 42.3 secs Computing kpt #: 209 total cpu time spent up to now is 42.5 secs Computing kpt #: 210 total cpu time spent up to now is 42.7 secs Computing kpt #: 211 total cpu time spent up to now is 42.9 secs Computing kpt #: 212 total cpu time spent up to now is 43.1 secs Computing kpt #: 213 total cpu time spent up to now is 43.3 secs Computing kpt #: 214 total cpu time spent up to now is 43.5 secs Computing kpt #: 215 total cpu time spent up to now is 43.8 secs Computing kpt #: 216 total cpu time spent up to now is 44.0 secs Computing kpt #: 217 total cpu time spent up to now is 44.2 secs Computing kpt #: 218 total cpu time spent up to now is 44.4 secs Computing kpt #: 219 total cpu time spent up to now is 44.6 secs Computing kpt #: 220 total cpu time spent up to now is 44.8 secs Computing kpt #: 221 total cpu time spent up to now is 45.0 secs Computing kpt #: 222 total cpu time spent up to now is 45.2 secs Computing kpt #: 223 total cpu time spent up to now is 45.4 secs Computing kpt #: 224 total cpu time spent up to now is 45.6 secs Computing kpt #: 225 total cpu time spent up to now is 45.8 secs Computing kpt #: 226 total cpu time spent up to now is 46.0 secs Computing kpt #: 227 total cpu time spent up to now is 46.2 secs Computing kpt #: 228 total cpu time spent up to now is 46.4 secs Computing kpt #: 229 total cpu time spent up to now is 46.6 secs Computing kpt #: 230 total cpu time spent up to now is 46.8 secs Computing kpt #: 231 total cpu time spent up to now is 47.0 secs Computing kpt #: 232 total cpu time spent up to now is 47.2 secs Computing kpt #: 233 total cpu time spent up to now is 47.3 secs Computing kpt #: 234 total cpu time spent up to now is 47.5 secs Computing kpt #: 235 total cpu time spent up to now is 47.7 secs Computing kpt #: 236 total cpu time spent up to now is 47.9 secs Computing kpt #: 237 total cpu time spent up to now is 48.1 secs Computing kpt #: 238 total cpu time spent up to now is 48.3 secs Computing kpt #: 239 total cpu time spent up to now is 48.5 secs Computing kpt #: 240 total cpu time spent up to now is 48.7 secs Computing kpt #: 241 total cpu time spent up to now is 48.9 secs Computing kpt #: 242 total cpu time spent up to now is 49.0 secs Computing kpt #: 243 total cpu time spent up to now is 49.2 secs Computing kpt #: 244 total cpu time spent up to now is 49.4 secs Computing kpt #: 245 total cpu time spent up to now is 49.6 secs Computing kpt #: 246 total cpu time spent up to now is 49.7 secs Computing kpt #: 247 total cpu time spent up to now is 49.9 secs Computing kpt #: 248 total cpu time spent up to now is 50.1 secs Computing kpt #: 249 total cpu time spent up to now is 50.3 secs Computing kpt #: 250 total cpu time spent up to now is 50.5 secs Computing kpt #: 251 total cpu time spent up to now is 50.7 secs Computing kpt #: 252 total cpu time spent up to now is 50.9 secs Computing kpt #: 253 total cpu time spent up to now is 51.0 secs Computing kpt #: 254 total cpu time spent up to now is 51.2 secs Computing kpt #: 255 total cpu time spent up to now is 51.4 secs Computing kpt #: 256 total cpu time spent up to now is 51.6 secs Computing kpt #: 257 total cpu time spent up to now is 51.8 secs Computing kpt #: 258 total cpu time spent up to now is 52.0 secs Computing kpt #: 259 total cpu time spent up to now is 52.2 secs Computing kpt #: 260 total cpu time spent up to now is 52.4 secs Computing kpt #: 261 total cpu time spent up to now is 52.6 secs Computing kpt #: 262 total cpu time spent up to now is 52.8 secs Computing kpt #: 263 total cpu time spent up to now is 53.0 secs Computing kpt #: 264 total cpu time spent up to now is 53.1 secs Computing kpt #: 265 total cpu time spent up to now is 53.3 secs Computing kpt #: 266 total cpu time spent up to now is 53.5 secs Computing kpt #: 267 total cpu time spent up to now is 53.7 secs Computing kpt #: 268 total cpu time spent up to now is 53.9 secs Computing kpt #: 269 total cpu time spent up to now is 54.1 secs Computing kpt #: 270 total cpu time spent up to now is 54.3 secs Computing kpt #: 271 total cpu time spent up to now is 54.5 secs Computing kpt #: 272 total cpu time spent up to now is 54.7 secs Computing kpt #: 273 total cpu time spent up to now is 54.9 secs Computing kpt #: 274 total cpu time spent up to now is 55.1 secs Computing kpt #: 275 total cpu time spent up to now is 55.2 secs Computing kpt #: 276 total cpu time spent up to now is 55.4 secs Computing kpt #: 277 total cpu time spent up to now is 55.6 secs Computing kpt #: 278 total cpu time spent up to now is 55.8 secs Computing kpt #: 279 total cpu time spent up to now is 56.0 secs Computing kpt #: 280 total cpu time spent up to now is 56.2 secs Computing kpt #: 281 total cpu time spent up to now is 56.3 secs Computing kpt #: 282 total cpu time spent up to now is 56.5 secs Computing kpt #: 283 total cpu time spent up to now is 56.7 secs Computing kpt #: 284 total cpu time spent up to now is 56.9 secs Computing kpt #: 285 total cpu time spent up to now is 57.1 secs Computing kpt #: 286 total cpu time spent up to now is 57.2 secs Computing kpt #: 287 total cpu time spent up to now is 57.4 secs Computing kpt #: 288 total cpu time spent up to now is 57.6 secs Computing kpt #: 289 total cpu time spent up to now is 57.8 secs Computing kpt #: 290 total cpu time spent up to now is 57.9 secs Computing kpt #: 291 total cpu time spent up to now is 58.1 secs Computing kpt #: 292 total cpu time spent up to now is 58.3 secs Computing kpt #: 293 total cpu time spent up to now is 58.5 secs Computing kpt #: 294 total cpu time spent up to now is 58.7 secs Computing kpt #: 295 total cpu time spent up to now is 58.8 secs Computing kpt #: 296 total cpu time spent up to now is 59.0 secs Computing kpt #: 297 total cpu time spent up to now is 59.2 secs Computing kpt #: 298 total cpu time spent up to now is 59.4 secs Computing kpt #: 299 total cpu time spent up to now is 59.6 secs Computing kpt #: 300 total cpu time spent up to now is 59.7 secs Computing kpt #: 301 total cpu time spent up to now is 59.9 secs Computing kpt #: 302 total cpu time spent up to now is 60.1 secs Computing kpt #: 303 total cpu time spent up to now is 60.3 secs Computing kpt #: 304 total cpu time spent up to now is 60.5 secs Computing kpt #: 305 total cpu time spent up to now is 60.6 secs Computing kpt #: 306 total cpu time spent up to now is 60.8 secs Computing kpt #: 307 total cpu time spent up to now is 61.0 secs Computing kpt #: 308 total cpu time spent up to now is 61.2 secs Computing kpt #: 309 total cpu time spent up to now is 61.4 secs Computing kpt #: 310 total cpu time spent up to now is 61.5 secs Computing kpt #: 311 total cpu time spent up to now is 61.7 secs Computing kpt #: 312 total cpu time spent up to now is 61.9 secs Computing kpt #: 313 total cpu time spent up to now is 62.1 secs Computing kpt #: 314 total cpu time spent up to now is 62.3 secs Computing kpt #: 315 total cpu time spent up to now is 62.5 secs Computing kpt #: 316 total cpu time spent up to now is 62.7 secs Computing kpt #: 317 total cpu time spent up to now is 62.9 secs Computing kpt #: 318 total cpu time spent up to now is 63.0 secs Computing kpt #: 319 total cpu time spent up to now is 63.2 secs Computing kpt #: 320 total cpu time spent up to now is 63.4 secs Computing kpt #: 321 total cpu time spent up to now is 63.6 secs Computing kpt #: 322 total cpu time spent up to now is 63.8 secs Computing kpt #: 323 total cpu time spent up to now is 64.0 secs Computing kpt #: 324 total cpu time spent up to now is 64.2 secs Computing kpt #: 325 total cpu time spent up to now is 64.4 secs Computing kpt #: 326 total cpu time spent up to now is 64.6 secs Computing kpt #: 327 total cpu time spent up to now is 64.8 secs Computing kpt #: 328 total cpu time spent up to now is 64.9 secs Computing kpt #: 329 total cpu time spent up to now is 65.1 secs Computing kpt #: 330 total cpu time spent up to now is 65.3 secs Computing kpt #: 331 total cpu time spent up to now is 65.5 secs Computing kpt #: 332 total cpu time spent up to now is 65.7 secs Computing kpt #: 333 total cpu time spent up to now is 65.9 secs Computing kpt #: 334 total cpu time spent up to now is 66.1 secs Computing kpt #: 335 total cpu time spent up to now is 66.3 secs Computing kpt #: 336 total cpu time spent up to now is 66.5 secs Computing kpt #: 337 total cpu time spent up to now is 66.7 secs Computing kpt #: 338 total cpu time spent up to now is 66.9 secs Computing kpt #: 339 total cpu time spent up to now is 67.1 secs Computing kpt #: 340 total cpu time spent up to now is 67.3 secs Computing kpt #: 341 total cpu time spent up to now is 67.5 secs Computing kpt #: 342 total cpu time spent up to now is 67.7 secs Computing kpt #: 343 total cpu time spent up to now is 67.9 secs Computing kpt #: 344 total cpu time spent up to now is 68.1 secs Computing kpt #: 345 total cpu time spent up to now is 68.3 secs Computing kpt #: 346 total cpu time spent up to now is 68.5 secs Computing kpt #: 347 total cpu time spent up to now is 68.7 secs Computing kpt #: 348 total cpu time spent up to now is 68.9 secs Computing kpt #: 349 total cpu time spent up to now is 69.0 secs Computing kpt #: 350 total cpu time spent up to now is 69.2 secs Computing kpt #: 351 total cpu time spent up to now is 69.4 secs Computing kpt #: 352 total cpu time spent up to now is 69.6 secs Computing kpt #: 353 total cpu time spent up to now is 69.8 secs Computing kpt #: 354 total cpu time spent up to now is 70.0 secs Computing kpt #: 355 total cpu time spent up to now is 70.2 secs Computing kpt #: 356 total cpu time spent up to now is 70.4 secs Computing kpt #: 357 total cpu time spent up to now is 70.5 secs Computing kpt #: 358 total cpu time spent up to now is 70.7 secs Computing kpt #: 359 total cpu time spent up to now is 70.9 secs Computing kpt #: 360 total cpu time spent up to now is 71.1 secs Computing kpt #: 361 total cpu time spent up to now is 71.3 secs Computing kpt #: 362 total cpu time spent up to now is 71.4 secs Computing kpt #: 363 total cpu time spent up to now is 71.6 secs Computing kpt #: 364 total cpu time spent up to now is 71.8 secs Computing kpt #: 365 total cpu time spent up to now is 72.0 secs Computing kpt #: 366 total cpu time spent up to now is 72.2 secs Computing kpt #: 367 total cpu time spent up to now is 72.4 secs Computing kpt #: 368 total cpu time spent up to now is 72.5 secs Computing kpt #: 369 total cpu time spent up to now is 72.7 secs Computing kpt #: 370 total cpu time spent up to now is 72.9 secs Computing kpt #: 371 total cpu time spent up to now is 73.1 secs Computing kpt #: 372 total cpu time spent up to now is 73.3 secs Computing kpt #: 373 total cpu time spent up to now is 73.5 secs Computing kpt #: 374 total cpu time spent up to now is 73.6 secs Computing kpt #: 375 total cpu time spent up to now is 73.8 secs Computing kpt #: 376 total cpu time spent up to now is 74.0 secs Computing kpt #: 377 total cpu time spent up to now is 74.2 secs Computing kpt #: 378 total cpu time spent up to now is 74.4 secs Computing kpt #: 379 total cpu time spent up to now is 74.6 secs Computing kpt #: 380 total cpu time spent up to now is 74.7 secs Computing kpt #: 381 total cpu time spent up to now is 74.9 secs Computing kpt #: 382 total cpu time spent up to now is 75.1 secs Computing kpt #: 383 total cpu time spent up to now is 75.3 secs Computing kpt #: 384 total cpu time spent up to now is 75.5 secs Computing kpt #: 385 total cpu time spent up to now is 75.6 secs Computing kpt #: 386 total cpu time spent up to now is 75.8 secs Computing kpt #: 387 total cpu time spent up to now is 76.0 secs Computing kpt #: 388 total cpu time spent up to now is 76.2 secs Computing kpt #: 389 total cpu time spent up to now is 76.3 secs Computing kpt #: 390 total cpu time spent up to now is 76.5 secs Computing kpt #: 391 total cpu time spent up to now is 76.7 secs Computing kpt #: 392 total cpu time spent up to now is 76.9 secs Computing kpt #: 393 total cpu time spent up to now is 77.1 secs Computing kpt #: 394 total cpu time spent up to now is 77.2 secs Computing kpt #: 395 total cpu time spent up to now is 77.4 secs Computing kpt #: 396 total cpu time spent up to now is 77.5 secs Computing kpt #: 397 total cpu time spent up to now is 77.7 secs Computing kpt #: 398 total cpu time spent up to now is 77.9 secs Computing kpt #: 399 total cpu time spent up to now is 78.1 secs Computing kpt #: 400 total cpu time spent up to now is 78.3 secs Computing kpt #: 401 total cpu time spent up to now is 78.4 secs Computing kpt #: 402 total cpu time spent up to now is 78.6 secs Computing kpt #: 403 total cpu time spent up to now is 78.8 secs Computing kpt #: 404 total cpu time spent up to now is 79.0 secs Computing kpt #: 405 total cpu time spent up to now is 79.2 secs Computing kpt #: 406 total cpu time spent up to now is 79.4 secs Computing kpt #: 407 total cpu time spent up to now is 79.6 secs Computing kpt #: 408 total cpu time spent up to now is 79.8 secs Computing kpt #: 409 total cpu time spent up to now is 79.9 secs Computing kpt #: 410 total cpu time spent up to now is 80.1 secs Computing kpt #: 411 total cpu time spent up to now is 80.3 secs Computing kpt #: 412 total cpu time spent up to now is 80.5 secs Computing kpt #: 413 total cpu time spent up to now is 80.7 secs Computing kpt #: 414 total cpu time spent up to now is 80.9 secs Computing kpt #: 415 total cpu time spent up to now is 81.1 secs Computing kpt #: 416 total cpu time spent up to now is 81.3 secs Computing kpt #: 417 total cpu time spent up to now is 81.4 secs Computing kpt #: 418 total cpu time spent up to now is 81.6 secs Computing kpt #: 419 total cpu time spent up to now is 81.8 secs Computing kpt #: 420 total cpu time spent up to now is 82.0 secs Computing kpt #: 421 total cpu time spent up to now is 82.2 secs Computing kpt #: 422 total cpu time spent up to now is 82.4 secs Computing kpt #: 423 total cpu time spent up to now is 82.6 secs Computing kpt #: 424 total cpu time spent up to now is 82.7 secs Computing kpt #: 425 total cpu time spent up to now is 82.9 secs Computing kpt #: 426 total cpu time spent up to now is 83.1 secs Computing kpt #: 427 total cpu time spent up to now is 83.3 secs Computing kpt #: 428 total cpu time spent up to now is 83.5 secs Computing kpt #: 429 total cpu time spent up to now is 83.7 secs Computing kpt #: 430 total cpu time spent up to now is 83.8 secs Computing kpt #: 431 total cpu time spent up to now is 84.0 secs Computing kpt #: 432 total cpu time spent up to now is 84.2 secs Computing kpt #: 433 total cpu time spent up to now is 84.4 secs Computing kpt #: 434 total cpu time spent up to now is 84.6 secs ethr = 3.13E-08, avg # of iterations = 16.0 total cpu time spent up to now is 84.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1873 PWs) bands (ev): -18.7933 -18.7933 -17.4823 -17.4823 -16.6626 -16.6626 -16.6625 -16.6625 -3.4774 -3.4774 -3.3604 -3.3604 -2.0792 -2.0792 -1.1715 -1.1715 -1.1612 -1.1612 0.2731 0.2731 0.4741 0.4741 0.4878 0.4878 0.6808 0.6808 2.1698 2.1698 2.6714 2.6714 2.6716 2.6716 9.9768 9.9768 10.6772 10.6772 10.6791 10.6791 11.4429 11.4429 k = 0.0000 0.0111-0.0000 ( 1873 PWs) bands (ev): -18.7928 -18.7928 -17.4824 -17.4824 -16.6629 -16.6629 -16.6626 -16.6626 -3.4765 -3.4765 -3.3599 -3.3599 -2.0800 -2.0800 -1.1732 -1.1732 -1.1625 -1.1625 0.2709 0.2709 0.4746 0.4746 0.4900 0.4900 0.6787 0.6787 2.1716 2.1716 2.6716 2.6716 2.6720 2.6720 9.9781 9.9781 10.6779 10.6779 10.6799 10.6799 11.4455 11.4455 k = 0.0000 0.0222-0.0000 ( 1877 PWs) bands (ev): -18.7914 -18.7914 -17.4826 -17.4826 -16.6640 -16.6640 -16.6629 -16.6629 -3.4738 -3.4738 -3.3583 -3.3583 -2.0825 -2.0825 -1.1799 -1.1799 -1.1646 -1.1646 0.2648 0.2648 0.4703 0.4703 0.5021 0.5021 0.6724 0.6724 2.1768 2.1768 2.6722 2.6722 2.6735 2.6735 9.9819 9.9819 10.6801 10.6801 10.6823 10.6823 11.4532 11.4532 k = 0.0000 0.0333-0.0000 ( 1887 PWs) bands (ev): -18.7889 -18.7889 -17.4829 -17.4829 -16.6657 -16.6657 -16.6633 -16.6633 -3.4692 -3.4692 -3.3556 -3.3556 -2.0866 -2.0866 -1.1930 -1.1930 -1.1658 -1.1658 0.2561 0.2561 0.4597 0.4597 0.5240 0.5240 0.6619 0.6619 2.1854 2.1854 2.6731 2.6731 2.6760 2.6760 9.9881 9.9881 10.6837 10.6837 10.6864 10.6864 11.4659 11.4659 k = 0.0000 0.0444-0.0000 ( 1887 PWs) bands (ev): -18.7855 -18.7855 -17.4833 -17.4833 -16.6681 -16.6681 -16.6639 -16.6639 -3.4628 -3.4628 -3.3517 -3.3517 -2.0923 -2.0923 -1.2118 -1.2118 -1.1666 -1.1666 0.2462 0.2462 0.4444 0.4444 0.5528 0.5528 0.6473 0.6473 2.1971 2.1971 2.6743 2.6743 2.6794 2.6794 9.9969 9.9969 10.6885 10.6885 10.6925 10.6925 11.4837 11.4837 k = 0.0000 0.0556-0.0000 ( 1887 PWs) bands (ev): -18.7812 -18.7812 -17.4839 -17.4839 -16.6712 -16.6712 -16.6647 -16.6647 -3.4546 -3.4546 -3.3468 -3.3468 -2.0995 -2.0995 -1.2355 -1.2355 -1.1674 -1.1674 0.2357 0.2357 0.4251 0.4251 0.5867 0.5867 0.6290 0.6290 2.2117 2.2117 2.6759 2.6759 2.6837 2.6837 10.0080 10.0080 10.6948 10.6948 10.7005 10.7005 11.5064 11.5064 k = 0.0000 0.0667-0.0000 ( 1887 PWs) bands (ev): -18.7758 -18.7758 -17.4846 -17.4846 -16.6748 -16.6748 -16.6656 -16.6656 -3.4446 -3.4446 -3.3408 -3.3408 -2.1081 -2.1081 -1.2636 -1.2636 -1.1684 -1.1684 0.2252 0.2252 0.4022 0.4022 0.6044 0.6044 0.6274 0.6274 2.2287 2.2287 2.6778 2.6778 2.6888 2.6888 10.0216 10.0216 10.7026 10.7026 10.7103 10.7103 11.5339 11.5339 k = 0.0000 0.0778-0.0000 ( 1875 PWs) bands (ev): -18.7695 -18.7695 -17.4855 -17.4855 -16.6791 -16.6791 -16.6667 -16.6667 -3.4328 -3.4328 -3.3337 -3.3337 -2.1182 -2.1182 -1.2955 -1.2955 -1.1697 -1.1697 0.2150 0.2150 0.3761 0.3761 0.5790 0.5790 0.6685 0.6685 2.2479 2.2479 2.6801 2.6801 2.6946 2.6946 10.0377 10.0377 10.7121 10.7121 10.7220 10.7220 11.5661 11.5661 k = 0.0000 0.0889-0.0000 ( 1875 PWs) bands (ev): -18.7623 -18.7623 -17.4866 -17.4866 -16.6840 -16.6840 -16.6680 -16.6680 -3.4191 -3.4191 -3.3255 -3.3255 -2.1296 -2.1296 -1.3306 -1.3306 -1.1714 -1.1714 0.2050 0.2050 0.3472 0.3472 0.5491 0.5491 0.7134 0.7134 2.2689 2.2689 2.6827 2.6827 2.7011 2.7011 10.0560 10.0560 10.7231 10.7231 10.7354 10.7354 11.6029 11.6029 k = 0.0000 0.1000-0.0000 ( 1875 PWs) bands (ev): -18.7541 -18.7541 -17.4879 -17.4879 -16.6894 -16.6894 -16.6694 -16.6694 -3.4037 -3.4037 -3.3162 -3.3162 -2.1423 -2.1423 -1.3684 -1.3684 -1.1736 -1.1736 0.1953 0.1953 0.3160 0.3160 0.5156 0.5156 0.7608 0.7608 2.2912 2.2912 2.6856 2.6856 2.7082 2.7082 10.0766 10.0766 10.7359 10.7359 10.7508 10.7508 11.6441 11.6441 k = 0.0000 0.1111-0.0000 ( 1875 PWs) bands (ev): -18.7450 -18.7450 -17.4895 -17.4895 -16.6953 -16.6953 -16.6710 -16.6710 -3.3865 -3.3865 -3.3058 -3.3058 -2.1560 -2.1560 -1.4085 -1.4085 -1.1765 -1.1765 0.1858 0.1858 0.2831 0.2831 0.4787 0.4787 0.8103 0.8103 2.3145 2.3145 2.6889 2.6889 2.7157 2.7157 10.0995 10.0995 10.7505 10.7505 10.7679 10.7679 11.6896 11.6896 k = 0.0000 0.1222-0.0000 ( 1875 PWs) bands (ev): -18.7350 -18.7350 -17.4914 -17.4914 -16.7016 -16.7016 -16.6728 -16.6728 -3.3675 -3.3675 -3.2944 -3.2944 -2.1708 -2.1708 -1.4504 -1.4504 -1.1802 -1.1802 0.1765 0.1765 0.2487 0.2487 0.4386 0.4386 0.8614 0.8614 2.3385 2.3385 2.6924 2.6924 2.7236 2.7236 10.1245 10.1245 10.7670 10.7670 10.7870 10.7870 11.7393 11.7393 k = 0.0000 0.1333-0.0000 ( 1871 PWs) bands (ev): -18.7240 -18.7240 -17.4937 -17.4937 -16.7084 -16.7084 -16.6747 -16.6747 -3.3467 -3.3467 -3.2818 -3.2818 -2.1865 -2.1865 -1.4937 -1.4937 -1.1848 -1.1848 0.1672 0.1672 0.2134 0.2134 0.3955 0.3955 0.9137 0.9137 2.3627 2.3627 2.6962 2.6962 2.7318 2.7318 10.1517 10.1517 10.7854 10.7854 10.8078 10.8078 11.7930 11.7930 k = 0.0000 0.1444-0.0000 ( 1863 PWs) bands (ev): -18.7122 -18.7122 -17.4963 -17.4963 -16.7155 -16.7155 -16.6768 -16.6768 -3.3242 -3.3242 -3.2681 -3.2681 -2.2031 -2.2031 -1.5380 -1.5380 -1.1905 -1.1905 0.1575 0.1575 0.1779 0.1779 0.3496 0.3496 0.9671 0.9671 2.3870 2.3870 2.7004 2.7004 2.7403 2.7403 10.1810 10.1810 10.8057 10.8057 10.8305 10.8305 11.8506 11.8506 k = 0.0000 0.1556-0.0000 ( 1861 PWs) bands (ev): -18.6995 -18.6995 -17.4993 -17.4993 -16.7229 -16.7229 -16.6791 -16.6791 -3.2999 -3.2999 -3.2533 -3.2533 -2.2203 -2.2203 -1.5830 -1.5830 -1.1974 -1.1974 0.1390 0.1390 0.1510 0.1510 0.3010 0.3010 1.0211 1.0211 2.4109 2.4109 2.7047 2.7047 2.7489 2.7489 10.2123 10.2123 10.8279 10.8279 10.8549 10.8549 11.9120 11.9120 k = 0.0000 0.1667-0.0000 ( 1861 PWs) bands (ev): -18.6859 -18.6859 -17.5029 -17.5029 -16.7305 -16.7305 -16.6815 -16.6815 -3.2738 -3.2738 -3.2374 -3.2374 -2.2381 -2.2381 -1.6285 -1.6285 -1.2058 -1.2058 0.1043 0.1043 0.1405 0.1405 0.2499 0.2499 1.0756 1.0756 2.4343 2.4343 2.7093 2.7093 2.7575 2.7575 10.2455 10.2455 10.8520 10.8520 10.8811 10.8811 11.9771 11.9771 k = 0.0000 0.1778-0.0000 ( 1861 PWs) bands (ev): -18.6714 -18.6714 -17.5070 -17.5070 -16.7382 -16.7382 -16.6841 -16.6841 -3.2461 -3.2461 -3.2204 -3.2204 -2.2564 -2.2564 -1.6741 -1.6741 -1.2157 -1.2157 0.0690 0.0690 0.1308 0.1308 0.1967 0.1967 1.1304 1.1304 2.4568 2.4568 2.7142 2.7142 2.7661 2.7661 10.2805 10.2805 10.8780 10.8780 10.9089 10.9089 12.0456 12.0456 k = 0.0000 0.1889-0.0000 ( 1851 PWs) bands (ev): -18.6562 -18.6562 -17.5116 -17.5116 -16.7461 -16.7461 -16.6869 -16.6869 -3.2166 -3.2166 -3.2023 -3.2023 -2.2751 -2.2751 -1.7197 -1.7197 -1.2275 -1.2275 0.0346 0.0346 0.1198 0.1198 0.1427 0.1427 1.1852 1.1852 2.4784 2.4784 2.7193 2.7193 2.7746 2.7746 10.3174 10.3174 10.9058 10.9058 10.9385 10.9385 12.1177 12.1177 k = 0.0000 0.2000-0.0000 ( 1845 PWs) bands (ev): -18.6400 -18.6400 -17.5170 -17.5170 -16.7539 -16.7539 -16.6898 -16.6898 -3.1858 -3.1858 -3.1828 -3.1828 -2.2940 -2.2940 -1.7651 -1.7651 -1.2411 -1.2411 0.0014 0.0014 0.0812 0.0812 0.1141 0.1141 1.2399 1.2399 2.4988 2.4988 2.7245 2.7245 2.7830 2.7830 10.3561 10.3561 10.9353 10.9353 10.9696 10.9696 12.1930 12.1930 k = 0.0000 0.2111-0.0000 ( 1853 PWs) bands (ev): -18.6231 -18.6231 -17.5230 -17.5230 -16.7617 -16.7617 -16.6929 -16.6929 -3.1631 -3.1631 -3.1524 -3.1524 -2.3130 -2.3130 -1.8100 -1.8100 -1.2569 -1.2569 -0.0305 -0.0305 0.0226 0.0226 0.1036 0.1036 1.2942 1.2942 2.5177 2.5177 2.7300 2.7300 2.7912 2.7912 10.3963 10.3963 10.9664 10.9664 11.0021 11.0021 12.2714 12.2714 k = 0.0000 0.2222-0.0000 ( 1855 PWs) bands (ev): -18.6055 -18.6055 -17.5298 -17.5298 -16.7694 -16.7694 -16.6962 -16.6962 -3.1417 -3.1417 -3.1179 -3.1179 -2.3320 -2.3320 -1.8543 -1.8543 -1.2748 -1.2748 -0.0611 -0.0611 -0.0377 -0.0377 0.0936 0.0936 1.3482 1.3482 2.5353 2.5353 2.7356 2.7356 2.7992 2.7992 10.4382 10.4382 10.9991 10.9991 11.0359 11.0359 12.3529 12.3529 k = 0.0000 0.2333-0.0000 ( 1859 PWs) bands (ev): -18.5870 -18.5870 -17.5374 -17.5374 -16.7768 -16.7768 -16.6996 -16.6996 -3.1193 -3.1193 -3.0817 -3.0817 -2.3510 -2.3510 -1.8979 -1.8979 -1.2951 -1.2951 -0.1037 -0.1037 -0.0858 -0.0858 0.0836 0.0836 1.4017 1.4017 2.5512 2.5512 2.7414 2.7414 2.8069 2.8069 10.4816 10.4816 11.0332 11.0332 11.0710 11.0710 12.4373 12.4373 k = 0.0000 0.2444-0.0000 ( 1867 PWs) bands (ev): -18.5678 -18.5678 -17.5459 -17.5459 -16.7840 -16.7840 -16.7031 -16.7031 -3.0958 -3.0958 -3.0439 -3.0439 -2.3698 -2.3698 -1.9407 -1.9407 -1.3177 -1.3177 -0.1667 -0.1667 -0.1127 -0.1127 0.0735 0.0735 1.4545 1.4545 2.5654 2.5654 2.7473 2.7473 2.8143 2.8143 10.5265 10.5265 11.0686 11.0686 11.1071 11.1071 12.5246 12.5246 k = 0.0000 0.2556-0.0000 ( 1868 PWs) bands (ev): -18.5479 -18.5479 -17.5553 -17.5553 -16.7909 -16.7909 -16.7068 -16.7068 -3.0712 -3.0712 -3.0045 -3.0045 -2.3883 -2.3883 -1.9825 -1.9825 -1.3428 -1.3428 -0.2321 -0.2321 -0.1362 -0.1362 0.0632 0.0632 1.5067 1.5067 2.5779 2.5779 2.7533 2.7533 2.8214 2.8214 10.5728 10.5728 11.1051 11.1051 11.1441 11.1441 12.6145 12.6145 k = 0.0000 0.2667-0.0000 ( 1864 PWs) bands (ev): -18.5273 -18.5273 -17.5657 -17.5657 -16.7973 -16.7973 -16.7106 -16.7106 -3.0456 -3.0456 -2.9634 -2.9634 -2.4063 -2.4063 -2.0232 -2.0232 -1.3703 -1.3703 -0.2988 -0.2988 -0.1571 -0.1571 0.0529 0.0529 1.5580 1.5580 2.5885 2.5885 2.7594 2.7594 2.8281 2.8281 10.6204 10.6204 11.1425 11.1425 11.1819 11.1819 12.7070 12.7070 k = 0.0000 0.2778-0.0000 ( 1860 PWs) bands (ev): -18.5061 -18.5061 -17.5770 -17.5770 -16.8032 -16.8032 -16.7146 -16.7146 -3.0189 -3.0189 -2.9208 -2.9208 -2.4239 -2.4239 -2.0627 -2.0627 -1.4001 -1.4001 -0.3667 -0.3667 -0.1755 -0.1755 0.0424 0.0424 1.6085 1.6085 2.5972 2.5972 2.7655 2.7655 2.8345 2.8345 10.6694 10.6694 11.1807 11.1807 11.2202 11.2202 12.8019 12.8019 k = 0.0000 0.2889-0.0000 ( 1860 PWs) bands (ev): -18.4842 -18.4842 -17.5894 -17.5894 -16.8087 -16.8087 -16.7187 -16.7187 -2.9911 -2.9911 -2.8767 -2.8767 -2.4409 -2.4409 -2.1010 -2.1010 -1.4322 -1.4322 -0.4354 -0.4354 -0.1915 -0.1915 0.0317 0.0317 1.6580 1.6580 2.6040 2.6040 2.7717 2.7717 2.8404 2.8404 10.7196 10.7196 11.2193 11.2193 11.2588 11.2588 12.8991 12.8991 k = 0.0000 0.3000-0.0000 ( 1868 PWs) bands (ev): -18.4617 -18.4617 -17.6028 -17.6028 -16.8136 -16.8136 -16.7230 -16.7230 -2.9624 -2.9624 -2.8310 -2.8310 -2.4573 -2.4573 -2.1380 -2.1380 -1.4665 -1.4665 -0.5050 -0.5050 -0.2050 -0.2050 0.0209 0.0209 1.7066 1.7066 2.6089 2.6089 2.7779 2.7779 2.8459 2.8459 10.7709 10.7709 11.2583 11.2583 11.2975 11.2975 12.9983 12.9983 k = 0.0000 0.3111-0.0000 ( 1868 PWs) bands (ev): -18.4386 -18.4386 -17.6172 -17.6172 -16.8179 -16.8179 -16.7273 -16.7273 -2.9326 -2.9326 -2.7838 -2.7838 -2.4729 -2.4729 -2.1735 -2.1735 -1.5028 -1.5028 -0.5753 -0.5753 -0.2162 -0.2162 0.0101 0.0101 1.7541 1.7541 2.6118 2.6118 2.7841 2.7841 2.8510 2.8510 10.8234 10.8234 11.2974 11.2974 11.3360 11.3360 12.9604 12.9604 k = 0.0000 0.3222-0.0000 ( 1872 PWs) bands (ev): -18.4150 -18.4150 -17.6327 -17.6327 -16.8216 -16.8216 -16.7318 -16.7318 -2.9019 -2.9019 -2.7352 -2.7352 -2.4876 -2.4876 -2.2076 -2.2076 -1.5410 -1.5410 -0.6462 -0.6462 -0.2252 -0.2252 -0.0009 -0.0009 1.8006 1.8006 2.6128 2.6128 2.7903 2.7903 2.8556 2.8556 10.8770 10.8770 11.3362 11.3362 11.3742 11.3742 12.8974 12.8974 k = 0.0000 0.3333-0.0000 ( 1872 PWs) bands (ev): -18.3909 -18.3909 -17.6492 -17.6492 -16.8247 -16.8247 -16.7363 -16.7363 -2.8702 -2.8702 -2.6851 -2.6851 -2.5014 -2.5014 -2.2401 -2.2401 -1.5808 -1.5808 -0.7176 -0.7176 -0.2320 -0.2320 -0.0120 -0.0120 1.8460 1.8460 2.6118 2.6118 2.7964 2.7964 2.8598 2.8598 10.9315 10.9315 11.3747 11.3747 11.4118 11.4118 12.8336 12.8336 k = 0.0000 0.3444-0.0000 ( 1872 PWs) bands (ev): -18.3663 -18.3663 -17.6668 -17.6668 -16.8272 -16.8272 -16.7409 -16.7409 -2.8376 -2.8376 -2.6336 -2.6336 -2.5143 -2.5143 -2.2710 -2.2710 -1.6221 -1.6221 -0.7893 -0.7893 -0.2369 -0.2369 -0.0231 -0.0231 1.8903 1.8903 2.6089 2.6089 2.8025 2.8025 2.8635 2.8635 10.9871 10.9871 11.4124 11.4124 11.4484 11.4484 12.7691 12.7691 k = 0.0000 0.3556-0.0000 ( 1872 PWs) bands (ev): -18.3412 -18.3412 -17.6853 -17.6853 -16.8290 -16.8290 -16.7457 -16.7457 -2.8041 -2.8041 -2.5808 -2.5808 -2.5260 -2.5260 -2.3001 -2.3001 -1.6647 -1.6647 -0.8614 -0.8614 -0.2401 -0.2401 -0.0343 -0.0343 1.9335 1.9335 2.6042 2.6042 2.8084 2.8084 2.8668 2.8668 11.0436 11.0436 11.4492 11.4492 11.4839 11.4839 12.7042 12.7042 k = 0.0000 0.3667-0.0000 ( 1874 PWs) bands (ev): -18.3157 -18.3157 -17.7048 -17.7048 -16.8303 -16.8303 -16.7505 -16.7505 -2.7700 -2.7700 -2.5373 -2.5373 -2.5260 -2.5260 -2.3275 -2.3275 -1.7083 -1.7083 -0.9335 -0.9335 -0.2415 -0.2415 -0.0455 -0.0455 1.9756 1.9756 2.5975 2.5975 2.8143 2.8143 2.8695 2.8695 11.1010 11.1010 11.4848 11.4848 11.5179 11.5179 12.6388 12.6388 k = 0.0000 0.3778-0.0000 ( 1870 PWs) bands (ev): -18.2899 -18.2899 -17.7251 -17.7251 -16.8309 -16.8309 -16.7553 -16.7553 -2.7352 -2.7352 -2.5464 -2.5464 -2.4710 -2.4710 -2.3528 -2.3528 -1.7528 -1.7528 -1.0058 -1.0058 -0.2414 -0.2414 -0.0568 -0.0568 2.0165 2.0165 2.5890 2.5890 2.8200 2.8200 2.8719 2.8719 11.1592 11.1592 11.5189 11.5189 11.5502 11.5502 12.5730 12.5730 k = 0.0000 0.3889-0.0000 ( 1868 PWs) bands (ev): -18.2637 -18.2637 -17.7464 -17.7464 -16.8310 -16.8310 -16.7602 -16.7602 -2.6999 -2.6999 -2.5546 -2.5546 -2.4146 -2.4146 -2.3756 -2.3756 -1.7981 -1.7981 -1.0781 -1.0781 -0.2400 -0.2400 -0.0680 -0.0680 2.0562 2.0562 2.5788 2.5788 2.8255 2.8255 2.8737 2.8737 11.2183 11.2183 11.5512 11.5512 11.5805 11.5805 12.5069 12.5069 k = 0.0000 0.4000-0.0000 ( 1870 PWs) bands (ev): -18.2373 -18.2373 -17.7685 -17.7685 -16.8305 -16.8305 -16.7650 -16.7650 -2.6647 -2.6647 -2.5616 -2.5616 -2.3975 -2.3975 -2.3553 -2.3553 -1.8438 -1.8438 -1.1504 -1.1504 -0.2373 -0.2373 -0.0793 -0.0793 2.0948 2.0948 2.5667 2.5667 2.8309 2.8309 2.8751 2.8751 11.2781 11.2781 11.5816 11.5816 11.6087 11.6087 12.4406 12.4406 k = 0.0000 0.4111-0.0000 ( 1870 PWs) bands (ev): -18.2106 -18.2106 -17.7913 -17.7913 -16.8295 -16.8295 -16.7699 -16.7699 -2.6301 -2.6301 -2.5673 -2.5673 -2.4146 -2.4146 -2.2964 -2.2964 -1.8900 -1.8900 -1.2224 -1.2224 -0.2335 -0.2335 -0.0905 -0.0905 2.1321 2.1321 2.5530 2.5530 2.8360 2.8360 2.8760 2.8760 11.3386 11.3386 11.6097 11.6097 11.6344 11.6344 12.3742 12.3742 k = 0.0000 0.4222-0.0000 ( 1870 PWs) bands (ev): -18.1837 -18.1837 -17.8148 -17.8148 -16.8280 -16.8280 -16.7748 -16.7748 -2.5977 -2.5977 -2.5715 -2.5715 -2.4273 -2.4273 -2.2360 -2.2360 -1.9364 -1.9364 -1.2942 -1.2942 -0.2287 -0.2287 -0.1016 -0.1016 2.1683 2.1683 2.5376 2.5376 2.8410 2.8410 2.8765 2.8765 11.3998 11.3998 11.6353 11.6353 11.6574 11.6574 12.3077 12.3077 k = 0.0000 0.4333-0.0000 ( 1874 PWs) bands (ev): -18.1567 -18.1567 -17.8390 -17.8390 -16.8260 -16.8260 -16.7797 -16.7797 -2.5750 -2.5750 -2.5697 -2.5697 -2.4327 -2.4327 -2.1745 -2.1745 -1.9828 -1.9828 -1.3657 -1.3657 -0.2230 -0.2230 -0.1126 -0.1126 2.2032 2.2032 2.5205 2.5205 2.8457 2.8457 2.8765 2.8765 11.4616 11.4616 11.6583 11.6583 11.6775 11.6775 12.2412 12.2412 k = 0.0000 0.4444-0.0000 ( 1874 PWs) bands (ev): -18.1295 -18.1295 -17.8637 -17.8637 -16.8237 -16.8237 -16.7845 -16.7845 -2.5762 -2.5762 -2.5519 -2.5519 -2.4261 -2.4261 -2.1120 -2.1120 -2.0291 -2.0291 -1.4368 -1.4368 -0.2165 -0.2165 -0.1235 -0.1235 2.2370 2.2370 2.5019 2.5019 2.8501 2.8501 2.8760 2.8760 11.5240 11.5240 11.6783 11.6783 11.6946 11.6946 12.1748 12.1748 k = 0.0000 0.4556-0.0000 ( 1878 PWs) bands (ev): -18.1023 -18.1023 -17.8890 -17.8890 -16.8209 -16.8209 -16.7892 -16.7892 -2.5763 -2.5763 -2.5453 -2.5453 -2.4055 -2.4055 -2.0760 -2.0760 -2.0476 -2.0476 -1.5074 -1.5074 -0.2093 -0.2093 -0.1343 -0.1343 2.2694 2.2694 2.4817 2.4817 2.8542 2.8542 2.8752 2.8752 11.5869 11.5869 11.6954 11.6954 11.7085 11.7085 12.1084 12.1084 k = 0.0000 0.4667-0.0000 ( 1882 PWs) bands (ev): -18.0751 -18.0751 -17.9147 -17.9147 -16.8178 -16.8178 -16.7938 -16.7938 -2.5751 -2.5751 -2.5468 -2.5468 -2.3744 -2.3744 -2.1213 -2.1213 -1.9833 -1.9833 -1.5775 -1.5775 -0.2015 -0.2015 -0.1448 -0.1448 2.3006 2.3006 2.4601 2.4601 2.8581 2.8581 2.8739 2.8739 11.6500 11.6500 11.7095 11.7095 11.7192 11.7192 12.0422 12.0422 k = 0.0000 0.4778-0.0000 ( 1874 PWs) bands (ev): -18.0479 -18.0479 -17.9408 -17.9408 -16.8144 -16.8144 -16.7983 -16.7983 -2.5725 -2.5725 -2.5519 -2.5519 -2.3374 -2.3374 -2.1666 -2.1666 -1.9178 -1.9178 -1.6470 -1.6470 -0.1930 -0.1930 -0.1551 -0.1551 2.3306 2.3306 2.4370 2.4370 2.8616 2.8616 2.8722 2.8722 11.7089 11.7089 11.7222 11.7222 11.7292 11.7292 11.9764 11.9764 k = 0.0000 0.4889-0.0000 ( 1874 PWs) bands (ev): -18.0208 -18.0208 -17.9672 -17.9672 -16.8107 -16.8107 -16.8026 -16.8026 -2.5687 -2.5687 -2.5579 -2.5579 -2.2971 -2.2971 -2.2112 -2.2112 -1.8513 -1.8513 -1.7158 -1.7158 -0.1842 -0.1842 -0.1651 -0.1651 2.3592 2.3592 2.4124 2.4124 2.8648 2.8648 2.8701 2.8701 11.7251 11.7251 11.7288 11.7288 11.7815 11.7815 11.9108 11.9108 k = 0.0000 0.5000-0.0000 ( 1870 PWs) bands (ev): -17.9939 -17.9939 -17.9939 -17.9939 -16.8068 -16.8068 -16.8068 -16.8068 -2.5637 -2.5637 -2.5637 -2.5637 -2.2548 -2.2548 -2.2548 -2.2548 -1.7840 -1.7840 -1.7839 -1.7839 -0.1748 -0.1748 -0.1748 -0.1748 2.3865 2.3865 2.3865 2.3865 2.8677 2.8677 2.8677 2.8677 11.7290 11.7290 11.7290 11.7290 11.8456 11.8456 11.8458 11.8458 k = 0.0000 0.5000-0.0000 ( 1870 PWs) bands (ev): -17.9939 -17.9939 -17.9939 -17.9939 -16.8068 -16.8068 -16.8068 -16.8068 -2.5637 -2.5637 -2.5637 -2.5637 -2.2548 -2.2548 -2.2548 -2.2548 -1.7840 -1.7840 -1.7839 -1.7839 -0.1748 -0.1748 -0.1748 -0.1748 2.3865 2.3865 2.3865 2.3865 2.8677 2.8677 2.8677 2.8677 11.7290 11.7290 11.7290 11.7290 11.8456 11.8456 11.8458 11.8458 k = 0.0111 0.5000-0.0000 ( 1874 PWs) bands (ev): -17.9936 -17.9936 -17.9936 -17.9936 -16.8070 -16.8070 -16.8070 -16.8070 -2.5664 -2.5664 -2.5663 -2.5663 -2.2529 -2.2529 -2.2529 -2.2529 -1.7835 -1.7835 -1.7834 -1.7834 -0.1768 -0.1768 -0.1767 -0.1767 2.3895 2.3895 2.3896 2.3896 2.8667 2.8667 2.8667 2.8667 11.7296 11.7296 11.7296 11.7296 11.8458 11.8458 11.8460 11.8460 k = 0.0222 0.5000-0.0000 ( 1874 PWs) bands (ev): -17.9927 -17.9927 -17.9927 -17.9927 -16.8078 -16.8078 -16.8078 -16.8078 -2.5741 -2.5741 -2.5741 -2.5741 -2.2475 -2.2475 -2.2475 -2.2475 -1.7819 -1.7819 -1.7818 -1.7818 -0.1825 -0.1825 -0.1825 -0.1825 2.3987 2.3987 2.3987 2.3987 2.8638 2.8638 2.8638 2.8638 11.7315 11.7315 11.7315 11.7315 11.8464 11.8464 11.8466 11.8466 k = 0.0333 0.5000-0.0000 ( 1870 PWs) bands (ev): -17.9912 -17.9912 -17.9912 -17.9912 -16.8090 -16.8090 -16.8090 -16.8090 -2.5864 -2.5864 -2.5863 -2.5863 -2.2392 -2.2392 -2.2391 -2.2391 -1.7794 -1.7794 -1.7793 -1.7793 -0.1919 -0.1919 -0.1919 -0.1919 2.4137 2.4137 2.4138 2.4138 2.8590 2.8590 2.8590 2.8590 11.7346 11.7346 11.7346 11.7346 11.8474 11.8474 11.8477 11.8477 k = 0.0444 0.5000-0.0000 ( 1866 PWs) bands (ev): -17.9891 -17.9891 -17.9890 -17.9890 -16.8107 -16.8107 -16.8107 -16.8107 -2.6022 -2.6022 -2.6022 -2.6022 -2.2288 -2.2288 -2.2287 -2.2287 -1.7758 -1.7758 -1.7757 -1.7757 -0.2047 -0.2047 -0.2047 -0.2047 2.4345 2.4345 2.4345 2.4345 2.8524 2.8524 2.8524 2.8524 11.7390 11.7390 11.7390 11.7390 11.8489 11.8489 11.8491 11.8491 k = 0.0556 0.5000-0.0000 ( 1866 PWs) bands (ev): -17.9864 -17.9864 -17.9863 -17.9863 -16.8130 -16.8130 -16.8129 -16.8129 -2.6210 -2.6210 -2.6210 -2.6210 -2.2172 -2.2172 -2.2171 -2.2171 -1.7712 -1.7712 -1.7711 -1.7711 -0.2206 -0.2206 -0.2206 -0.2206 2.4607 2.4607 2.4607 2.4607 2.8438 2.8438 2.8439 2.8439 11.7446 11.7446 11.7446 11.7446 11.8508 11.8508 11.8510 11.8510 k = 0.0667 0.5000-0.0000 ( 1866 PWs) bands (ev): -17.9831 -17.9831 -17.9830 -17.9830 -16.8156 -16.8156 -16.8156 -16.8156 -2.6419 -2.6419 -2.6419 -2.6419 -2.2051 -2.2051 -2.2051 -2.2051 -1.7656 -1.7656 -1.7655 -1.7655 -0.2392 -0.2392 -0.2392 -0.2392 2.4919 2.4919 2.4919 2.4919 2.8335 2.8335 2.8335 2.8335 11.7514 11.7514 11.7515 11.7515 11.8530 11.8530 11.8533 11.8533 k = 0.0778 0.5000-0.0000 ( 1866 PWs) bands (ev): -17.9792 -17.9792 -17.9792 -17.9792 -16.8188 -16.8188 -16.8188 -16.8188 -2.6644 -2.6644 -2.6644 -2.6644 -2.1933 -2.1933 -2.1933 -2.1933 -1.7590 -1.7590 -1.7589 -1.7589 -0.2600 -0.2600 -0.2599 -0.2599 2.5276 2.5276 2.5277 2.5277 2.8214 2.8214 2.8214 2.8214 11.7595 11.7595 11.7595 11.7595 11.8557 11.8557 11.8559 11.8559 k = 0.0889 0.5000-0.0000 ( 1858 PWs) bands (ev): -17.9747 -17.9747 -17.9747 -17.9747 -16.8224 -16.8224 -16.8224 -16.8224 -2.6879 -2.6879 -2.6879 -2.6879 -2.1822 -2.1822 -2.1822 -2.1821 -1.7515 -1.7515 -1.7514 -1.7514 -0.2825 -0.2825 -0.2824 -0.2824 2.5676 2.5676 2.5676 2.5676 2.8077 2.8077 2.8077 2.8077 11.7687 11.7687 11.7688 11.7688 11.8588 11.8588 11.8590 11.8590 k = 0.1000 0.5000-0.0000 ( 1852 PWs) bands (ev): -17.9697 -17.9697 -17.9697 -17.9697 -16.8265 -16.8265 -16.8265 -16.8265 -2.7122 -2.7122 -2.7122 -2.7122 -2.1723 -2.1723 -2.1723 -2.1723 -1.7431 -1.7431 -1.7430 -1.7430 -0.3062 -0.3062 -0.3062 -0.3062 2.6112 2.6112 2.6113 2.6113 2.7922 2.7922 2.7923 2.7923 11.7792 11.7792 11.7793 11.7793 11.8621 11.8621 11.8624 11.8624 k = 0.1111 0.5000-0.0000 ( 1852 PWs) bands (ev): -17.9641 -17.9641 -17.9641 -17.9641 -16.8311 -16.8311 -16.8311 -16.8311 -2.7368 -2.7368 -2.7368 -2.7368 -2.1640 -2.1640 -2.1639 -2.1639 -1.7337 -1.7337 -1.7336 -1.7336 -0.3308 -0.3308 -0.3307 -0.3307 2.6580 2.6580 2.6580 2.6580 2.7754 2.7754 2.7754 2.7754 11.7909 11.7909 11.7909 11.7909 11.8659 11.8659 11.8661 11.8661 k = 0.1222 0.5000-0.0000 ( 1860 PWs) bands (ev): -17.9580 -17.9580 -17.9580 -17.9580 -16.8361 -16.8361 -16.8361 -16.8361 -2.7616 -2.7616 -2.7616 -2.7616 -2.1575 -2.1575 -2.1575 -2.1575 -1.7234 -1.7234 -1.7233 -1.7233 -0.3556 -0.3556 -0.3556 -0.3556 2.7064 2.7064 2.7065 2.7065 2.7581 2.7581 2.7581 2.7581 11.8037 11.8037 11.8037 11.8037 11.8700 11.8700 11.8702 11.8702 k = 0.1333 0.5000-0.0000 ( 1860 PWs) bands (ev): -17.9514 -17.9514 -17.9513 -17.9513 -16.8416 -16.8416 -16.8416 -16.8416 -2.7864 -2.7864 -2.7863 -2.7863 -2.1533 -2.1533 -2.1533 -2.1533 -1.7123 -1.7123 -1.7122 -1.7122 -0.3802 -0.3802 -0.3802 -0.3802 2.7314 2.7314 2.7314 2.7314 2.7653 2.7653 2.7653 2.7653 11.8176 11.8176 11.8176 11.8176 11.8744 11.8744 11.8747 11.8747 k = 0.1444 0.5000-0.0000 ( 1860 PWs) bands (ev): -17.9442 -17.9442 -17.9442 -17.9442 -16.8475 -16.8475 -16.8475 -16.8475 -2.8108 -2.8108 -2.8108 -2.8108 -2.1514 -2.1514 -2.1514 -2.1514 -1.7004 -1.7004 -1.7003 -1.7003 -0.4043 -0.4043 -0.4043 -0.4043 2.7126 2.7126 2.7126 2.7126 2.8168 2.8168 2.8168 2.8168 11.8325 11.8325 11.8325 11.8325 11.8793 11.8793 11.8795 11.8795 k = 0.1556 0.5000-0.0000 ( 1860 PWs) bands (ev): -17.9365 -17.9365 -17.9365 -17.9365 -16.8539 -16.8539 -16.8538 -16.8538 -2.8349 -2.8349 -2.8349 -2.8349 -2.1522 -2.1522 -2.1522 -2.1522 -1.6877 -1.6877 -1.6876 -1.6876 -0.4274 -0.4274 -0.4274 -0.4274 2.6902 2.6902 2.6902 2.6902 2.8723 2.8723 2.8723 2.8723 11.8483 11.8483 11.8483 11.8483 11.8846 11.8846 11.8848 11.8848 k = 0.1667 0.5000-0.0000 ( 1860 PWs) bands (ev): -17.9284 -17.9284 -17.9284 -17.9284 -16.8606 -16.8606 -16.8606 -16.8606 -2.8585 -2.8585 -2.8584 -2.8584 -2.1556 -2.1556 -2.1556 -2.1556 -1.6743 -1.6743 -1.6742 -1.6742 -0.4492 -0.4492 -0.4492 -0.4492 2.6663 2.6663 2.6663 2.6663 2.9294 2.9294 2.9294 2.9294 11.8646 11.8646 11.8646 11.8646 11.8908 11.8908 11.8910 11.8910 k = 0.1778 0.5000-0.0000 ( 1868 PWs) bands (ev): -17.9198 -17.9198 -17.9198 -17.9198 -16.8678 -16.8678 -16.8678 -16.8678 -2.8813 -2.8813 -2.8813 -2.8813 -2.1618 -2.1618 -2.1618 -2.1618 -1.6601 -1.6601 -1.6600 -1.6600 -0.4695 -0.4695 -0.4695 -0.4695 2.6412 2.6412 2.6412 2.6412 2.9874 2.9874 2.9875 2.9875 11.8801 11.8801 11.8802 11.8802 11.8989 11.8989 11.8990 11.8990 k = 0.1889 0.5000-0.0000 ( 1864 PWs) bands (ev): -17.9108 -17.9108 -17.9108 -17.9108 -16.8753 -16.8753 -16.8753 -16.8753 -2.9034 -2.9034 -2.9034 -2.9034 -2.1708 -2.1708 -2.1708 -2.1708 -1.6454 -1.6454 -1.6453 -1.6453 -0.4880 -0.4880 -0.4880 -0.4880 2.6151 2.6151 2.6151 2.6151 3.0461 3.0461 3.0462 3.0462 11.8921 11.8921 11.8923 11.8923 11.9117 11.9117 11.9117 11.9117 k = 0.2000 0.5000-0.0000 ( 1870 PWs) bands (ev): -17.9014 -17.9014 -17.9013 -17.9013 -16.8833 -16.8833 -16.8833 -16.8833 -2.9247 -2.9247 -2.9247 -2.9247 -2.1827 -2.1827 -2.1827 -2.1827 -1.6300 -1.6300 -1.6299 -1.6299 -0.5046 -0.5046 -0.5046 -0.5046 2.5880 2.5880 2.5880 2.5880 3.1051 3.1051 3.1052 3.1052 11.9003 11.9003 11.9005 11.9005 11.9293 11.9293 11.9294 11.9294 k = 0.2111 0.5000-0.0000 ( 1864 PWs) bands (ev): -17.8916 -17.8916 -17.8915 -17.8915 -16.8915 -16.8915 -16.8915 -16.8915 -2.9450 -2.9450 -2.9449 -2.9449 -2.1973 -2.1973 -2.1973 -2.1973 -1.6141 -1.6141 -1.6140 -1.6140 -0.5192 -0.5192 -0.5192 -0.5192 2.5602 2.5602 2.5602 2.5602 3.1642 3.1642 3.1642 3.1642 11.9071 11.9071 11.9073 11.9073 11.9495 11.9495 11.9495 11.9495 k = 0.2222 0.5000-0.0000 ( 1864 PWs) bands (ev): -17.8814 -17.8814 -17.8814 -17.8814 -16.9002 -16.9002 -16.9001 -16.9001 -2.9642 -2.9642 -2.9642 -2.9642 -2.2146 -2.2146 -2.2146 -2.2146 -1.5977 -1.5977 -1.5976 -1.5976 -0.5318 -0.5318 -0.5318 -0.5318 2.5317 2.5317 2.5317 2.5317 3.2229 3.2229 3.2229 3.2229 11.9134 11.9134 11.9136 11.9136 11.9709 11.9709 11.9710 11.9710 k = 0.2333 0.5000-0.0000 ( 1862 PWs) bands (ev): -17.8709 -17.8709 -17.8708 -17.8708 -16.9091 -16.9091 -16.9090 -16.9090 -2.9823 -2.9823 -2.9823 -2.9823 -2.2344 -2.2344 -2.2344 -2.2344 -1.5809 -1.5809 -1.5808 -1.5808 -0.5424 -0.5424 -0.5424 -0.5424 2.5027 2.5027 2.5027 2.5027 3.2811 3.2811 3.2811 3.2811 11.9195 11.9195 11.9197 11.9197 11.9933 11.9933 11.9934 11.9934 k = 0.2444 0.5000-0.0000 ( 1866 PWs) bands (ev): -17.8601 -17.8601 -17.8601 -17.8601 -16.9183 -16.9183 -16.9182 -16.9182 -2.9992 -2.9992 -2.9992 -2.9992 -2.2565 -2.2565 -2.2565 -2.2565 -1.5638 -1.5638 -1.5637 -1.5637 -0.5510 -0.5510 -0.5510 -0.5510 2.4733 2.4733 2.4733 2.4733 3.3386 3.3386 3.3386 3.3386 11.9256 11.9256 11.9258 11.9258 12.0165 12.0165 12.0165 12.0165 k = 0.2556 0.5000-0.0000 ( 1866 PWs) bands (ev): -17.8490 -17.8490 -17.8490 -17.8490 -16.9277 -16.9277 -16.9277 -16.9277 -3.0149 -3.0149 -3.0149 -3.0149 -2.2807 -2.2807 -2.2807 -2.2807 -1.5464 -1.5464 -1.5463 -1.5463 -0.5578 -0.5578 -0.5578 -0.5578 2.4436 2.4436 2.4436 2.4436 3.3950 3.3950 3.3951 3.3951 11.9316 11.9316 11.9318 11.9318 12.0402 12.0402 12.0403 12.0403 k = 0.2667 0.5000-0.0000 ( 1870 PWs) bands (ev): -17.8378 -17.8378 -17.8377 -17.8377 -16.9374 -16.9374 -16.9374 -16.9374 -3.0293 -3.0293 -3.0293 -3.0293 -2.3068 -2.3068 -2.3068 -2.3068 -1.5289 -1.5289 -1.5288 -1.5288 -0.5629 -0.5629 -0.5629 -0.5629 2.4138 2.4138 2.4138 2.4138 3.4503 3.4503 3.4503 3.4503 11.9375 11.9375 11.9377 11.9377 12.0644 12.0644 12.0645 12.0645 k = 0.2778 0.5000-0.0000 ( 1876 PWs) bands (ev): -17.8263 -17.8263 -17.8263 -17.8263 -16.9473 -16.9473 -16.9473 -16.9473 -3.0423 -3.0423 -3.0423 -3.0423 -2.3346 -2.3346 -2.3346 -2.3346 -1.5112 -1.5112 -1.5111 -1.5111 -0.5665 -0.5665 -0.5664 -0.5664 2.3840 2.3840 2.3840 2.3840 3.5042 3.5042 3.5042 3.5042 11.9434 11.9434 11.9436 11.9436 12.0890 12.0890 12.0890 12.0890 k = 0.2889 0.5000-0.0000 ( 1876 PWs) bands (ev): -17.8147 -17.8147 -17.8147 -17.8147 -16.9573 -16.9573 -16.9573 -16.9573 -3.0540 -3.0540 -3.0539 -3.0539 -2.3637 -2.3637 -2.3637 -2.3637 -1.4935 -1.4935 -1.4934 -1.4934 -0.5686 -0.5686 -0.5686 -0.5686 2.3543 2.3543 2.3543 2.3543 3.5566 3.5566 3.5566 3.5566 11.9491 11.9491 11.9494 11.9494 12.1137 12.1137 12.1138 12.1138 k = 0.3000 0.5000-0.0000 ( 1872 PWs) bands (ev): -17.8030 -17.8030 -17.8030 -17.8030 -16.9675 -16.9675 -16.9674 -16.9674 -3.0642 -3.0642 -3.0641 -3.0641 -2.3940 -2.3940 -2.3940 -2.3940 -1.4758 -1.4758 -1.4757 -1.4757 -0.5695 -0.5695 -0.5695 -0.5695 2.3250 2.3250 2.3250 2.3250 3.6072 3.6072 3.6072 3.6072 11.9548 11.9548 11.9550 11.9550 12.1386 12.1386 12.1386 12.1386 k = 0.3111 0.5000-0.0000 ( 1864 PWs) bands (ev): -17.7913 -17.7913 -17.7913 -17.7913 -16.9777 -16.9777 -16.9777 -16.9777 -3.0729 -3.0729 -3.0728 -3.0728 -2.4251 -2.4251 -2.4251 -2.4251 -1.4583 -1.4583 -1.4582 -1.4582 -0.5693 -0.5693 -0.5693 -0.5693 2.2961 2.2961 2.2961 2.2961 3.6559 3.6559 3.6560 3.6560 11.9603 11.9603 11.9606 11.9606 12.1633 12.1633 12.1634 12.1634 k = 0.3222 0.5000-0.0000 ( 1870 PWs) bands (ev): -17.7796 -17.7796 -17.7796 -17.7796 -16.9879 -16.9879 -16.9879 -16.9879 -3.0801 -3.0801 -3.0801 -3.0801 -2.4569 -2.4569 -2.4569 -2.4569 -1.4411 -1.4411 -1.4410 -1.4410 -0.5683 -0.5683 -0.5682 -0.5682 2.2678 2.2678 2.2678 2.2678 3.7026 3.7026 3.7026 3.7026 11.9657 11.9657 11.9659 11.9659 12.1879 12.1879 12.1880 12.1880 k = 0.3333 0.5000-0.0000 ( 1870 PWs) bands (ev): -17.7680 -17.7680 -17.7680 -17.7680 -16.9982 -16.9982 -16.9981 -16.9981 -3.0858 -3.0858 -3.0858 -3.0858 -2.4890 -2.4890 -2.4890 -2.4890 -1.4242 -1.4242 -1.4241 -1.4241 -0.5665 -0.5665 -0.5665 -0.5665 2.2402 2.2402 2.2402 2.2402 3.7471 3.7471 3.7471 3.7471 11.9709 11.9709 11.9711 11.9711 12.2121 12.2121 12.2121 12.2121 k = 0.3444 0.5000-0.0000 ( 1870 PWs) bands (ev): -17.7565 -17.7565 -17.7565 -17.7565 -17.0083 -17.0083 -17.0083 -17.0083 -3.0900 -3.0900 -3.0900 -3.0900 -2.5214 -2.5214 -2.5213 -2.5213 -1.4078 -1.4078 -1.4077 -1.4077 -0.5641 -0.5641 -0.5641 -0.5641 2.2136 2.2136 2.2136 2.2136 3.7893 3.7893 3.7893 3.7893 11.9758 11.9758 11.9760 11.9760 12.2357 12.2357 12.2358 12.2358 k = 0.3556 0.5000-0.0000 ( 1872 PWs) bands (ev): -17.7453 -17.7453 -17.7452 -17.7452 -17.0183 -17.0183 -17.0183 -17.0183 -3.0927 -3.0927 -3.0927 -3.0927 -2.5536 -2.5536 -2.5536 -2.5536 -1.3919 -1.3919 -1.3918 -1.3918 -0.5614 -0.5614 -0.5614 -0.5614 2.1879 2.1879 2.1880 2.1880 3.8291 3.8291 3.8291 3.8291 11.9805 11.9805 11.9808 11.9808 12.2587 12.2587 12.2588 12.2588 k = 0.3667 0.5000-0.0000 ( 1872 PWs) bands (ev): -17.7343 -17.7343 -17.7343 -17.7343 -17.0280 -17.0280 -17.0280 -17.0280 -3.0939 -3.0939 -3.0938 -3.0938 -2.5855 -2.5855 -2.5855 -2.5855 -1.3767 -1.3767 -1.3766 -1.3766 -0.5583 -0.5583 -0.5583 -0.5583 2.1635 2.1635 2.1635 2.1635 3.8664 3.8664 3.8664 3.8664 11.9850 11.9850 11.9852 11.9852 12.2808 12.2808 12.2809 12.2809 k = 0.3778 0.5000-0.0000 ( 1868 PWs) bands (ev): -17.7237 -17.7237 -17.7237 -17.7237 -17.0375 -17.0375 -17.0375 -17.0375 -3.0936 -3.0936 -3.0935 -3.0935 -2.6170 -2.6170 -2.6170 -2.6170 -1.3622 -1.3622 -1.3621 -1.3621 -0.5550 -0.5550 -0.5550 -0.5550 2.1404 2.1404 2.1404 2.1404 3.9010 3.9010 3.9010 3.9010 11.9892 11.9892 11.9894 11.9894 12.3020 12.3020 12.3020 12.3020 k = 0.3889 0.5000-0.0000 ( 1872 PWs) bands (ev): -17.7136 -17.7136 -17.7136 -17.7136 -17.0466 -17.0466 -17.0466 -17.0466 -3.0918 -3.0918 -3.0918 -3.0918 -2.6477 -2.6477 -2.6477 -2.6477 -1.3486 -1.3486 -1.3485 -1.3485 -0.5517 -0.5517 -0.5517 -0.5517 2.1188 2.1188 2.1188 2.1188 3.9329 3.9329 3.9329 3.9329 11.9931 11.9931 11.9933 11.9933 12.3219 12.3219 12.3219 12.3219 k = 0.4000 0.5000-0.0000 ( 1876 PWs) bands (ev): -17.7040 -17.7040 -17.7040 -17.7040 -17.0552 -17.0552 -17.0552 -17.0552 -3.0887 -3.0887 -3.0886 -3.0886 -2.6775 -2.6775 -2.6775 -2.6775 -1.3359 -1.3359 -1.3358 -1.3358 -0.5485 -0.5485 -0.5485 -0.5485 2.0988 2.0988 2.0988 2.0988 3.9620 3.9620 3.9620 3.9620 11.9967 11.9967 11.9969 11.9969 12.3405 12.3405 12.3405 12.3405 k = 0.4111 0.5000-0.0000 ( 1872 PWs) bands (ev): -17.6951 -17.6951 -17.6950 -17.6950 -17.0632 -17.0632 -17.0632 -17.0632 -3.0843 -3.0843 -3.0842 -3.0842 -2.7061 -2.7061 -2.7061 -2.7061 -1.3243 -1.3243 -1.3242 -1.3242 -0.5453 -0.5453 -0.5453 -0.5453 2.0805 2.0805 2.0805 2.0805 3.9883 3.9883 3.9883 3.9883 11.9999 11.9999 12.0002 12.0002 12.3576 12.3576 12.3576 12.3576 k = 0.4222 0.5000-0.0000 ( 1872 PWs) bands (ev): -17.6869 -17.6869 -17.6868 -17.6868 -17.0707 -17.0707 -17.0706 -17.0706 -3.0787 -3.0787 -3.0787 -3.0787 -2.7333 -2.7333 -2.7332 -2.7332 -1.3138 -1.3138 -1.3137 -1.3137 -0.5424 -0.5424 -0.5424 -0.5424 2.0640 2.0640 2.0640 2.0640 4.0116 4.0116 4.0116 4.0116 12.0028 12.0028 12.0031 12.0031 12.3730 12.3730 12.3731 12.3731 k = 0.4333 0.5000-0.0000 ( 1868 PWs) bands (ev): -17.6795 -17.6795 -17.6795 -17.6795 -17.0773 -17.0773 -17.0773 -17.0773 -3.0722 -3.0722 -3.0722 -3.0722 -2.7587 -2.7587 -2.7587 -2.7587 -1.3045 -1.3045 -1.3044 -1.3044 -0.5397 -0.5397 -0.5397 -0.5397 2.0495 2.0495 2.0495 2.0495 4.0319 4.0319 4.0320 4.0320 12.0054 12.0054 12.0056 12.0056 12.3868 12.3868 12.3868 12.3868 k = 0.4444 0.5000-0.0000 ( 1868 PWs) bands (ev): -17.6731 -17.6731 -17.6730 -17.6730 -17.0832 -17.0832 -17.0831 -17.0831 -3.0651 -3.0651 -3.0650 -3.0650 -2.7820 -2.7820 -2.7820 -2.7820 -1.2965 -1.2965 -1.2964 -1.2964 -0.5374 -0.5374 -0.5374 -0.5374 2.0371 2.0371 2.0371 2.0371 4.0492 4.0492 4.0492 4.0492 12.0076 12.0076 12.0078 12.0078 12.3986 12.3986 12.3986 12.3986 k = 0.4556 0.5000-0.0000 ( 1868 PWs) bands (ev): -17.6677 -17.6677 -17.6676 -17.6676 -17.0881 -17.0881 -17.0881 -17.0881 -3.0577 -3.0577 -3.0576 -3.0576 -2.8027 -2.8027 -2.8027 -2.8027 -1.2898 -1.2898 -1.2897 -1.2897 -0.5354 -0.5354 -0.5354 -0.5354 2.0268 2.0268 2.0268 2.0268 4.0634 4.0634 4.0634 4.0634 12.0094 12.0094 12.0096 12.0096 12.4084 12.4084 12.4085 12.4085 k = 0.4667 0.5000-0.0000 ( 1868 PWs) bands (ev): -17.6634 -17.6634 -17.6633 -17.6633 -17.0920 -17.0920 -17.0920 -17.0920 -3.0506 -3.0506 -3.0506 -3.0506 -2.8202 -2.8202 -2.8202 -2.8202 -1.2846 -1.2846 -1.2845 -1.2845 -0.5338 -0.5338 -0.5338 -0.5338 2.0187 2.0187 2.0187 2.0187 4.0745 4.0745 4.0745 4.0745 12.0108 12.0108 12.0110 12.0110 12.4161 12.4161 12.4162 12.4162 k = 0.4778 0.5000-0.0000 ( 1868 PWs) bands (ev): -17.6603 -17.6603 -17.6602 -17.6602 -17.0948 -17.0948 -17.0948 -17.0948 -3.0446 -3.0446 -3.0446 -3.0446 -2.8337 -2.8337 -2.8337 -2.8337 -1.2809 -1.2809 -1.2808 -1.2808 -0.5326 -0.5326 -0.5326 -0.5326 2.0129 2.0129 2.0129 2.0129 4.0824 4.0824 4.0824 4.0824 12.0118 12.0118 12.0120 12.0120 12.4217 12.4217 12.4218 12.4218 k = 0.4889 0.5000-0.0000 ( 1868 PWs) bands (ev): -17.6584 -17.6584 -17.6583 -17.6583 -17.0966 -17.0966 -17.0965 -17.0965 -3.0405 -3.0405 -3.0405 -3.0405 -2.8423 -2.8423 -2.8423 -2.8423 -1.2786 -1.2786 -1.2785 -1.2785 -0.5319 -0.5319 -0.5319 -0.5319 2.0094 2.0094 2.0094 2.0094 4.0872 4.0872 4.0872 4.0872 12.0124 12.0124 12.0126 12.0126 12.4251 12.4251 12.4252 12.4252 k = 0.5000 0.5000-0.0000 ( 1868 PWs) bands (ev): -17.6577 -17.6577 -17.6577 -17.6577 -17.0971 -17.0971 -17.0971 -17.0971 -3.0391 -3.0391 -3.0390 -3.0390 -2.8453 -2.8453 -2.8453 -2.8453 -1.2778 -1.2778 -1.2777 -1.2777 -0.5317 -0.5317 -0.5317 -0.5317 2.0082 2.0082 2.0082 2.0082 4.0887 4.0887 4.0888 4.0888 12.0126 12.0126 12.0128 12.0128 12.4262 12.4262 12.4263 12.4263 k = 0.5000 0.5000-0.0000 ( 1868 PWs) bands (ev): -17.6577 -17.6577 -17.6577 -17.6577 -17.0971 -17.0971 -17.0971 -17.0971 -3.0391 -3.0391 -3.0390 -3.0390 -2.8453 -2.8453 -2.8453 -2.8453 -1.2778 -1.2778 -1.2777 -1.2777 -0.5317 -0.5317 -0.5317 -0.5317 2.0082 2.0082 2.0082 2.0082 4.0887 4.0887 4.0888 4.0888 12.0126 12.0126 12.0128 12.0128 12.4262 12.4262 12.4263 12.4263 k = 0.4922 0.4922-0.0000 ( 1868 PWs) bands (ev): -17.6591 -17.6591 -17.6576 -17.6576 -17.0969 -17.0969 -17.0962 -17.0962 -3.0429 -3.0429 -3.0381 -3.0381 -2.8446 -2.8446 -2.8402 -2.8402 -1.2801 -1.2801 -1.2770 -1.2770 -0.5323 -0.5323 -0.5315 -0.5315 2.0086 2.0086 2.0101 2.0101 4.0866 4.0866 4.0877 4.0877 12.0116 12.0116 12.0135 12.0135 12.4243 12.4243 12.4260 12.4260 k = 0.4844 0.4844-0.0000 ( 1868 PWs) bands (ev): -17.6633 -17.6633 -17.6571 -17.6571 -17.0962 -17.0962 -17.0936 -17.0936 -3.0533 -3.0533 -3.0351 -3.0351 -2.8425 -2.8425 -2.8259 -2.8259 -1.2870 -1.2870 -1.2745 -1.2745 -0.5341 -0.5341 -0.5312 -0.5312 2.0097 2.0097 2.0159 2.0159 4.0803 4.0803 4.0847 4.0847 12.0080 12.0080 12.0159 12.0159 12.4184 12.4184 12.4252 12.4252 k = 0.4766 0.4766-0.0000 ( 1866 PWs) bands (ev): -17.6701 -17.6701 -17.6564 -17.6564 -17.0949 -17.0949 -17.0892 -17.0892 -3.0680 -3.0680 -3.0301 -3.0301 -2.8390 -2.8390 -2.8048 -2.8048 -1.2984 -1.2984 -1.2705 -1.2705 -0.5370 -0.5370 -0.5305 -0.5305 2.0116 2.0116 2.0255 2.0255 4.0697 4.0697 4.0796 4.0796 12.0020 12.0021 12.0199 12.0199 12.4087 12.4087 12.4238 12.4238 k = 0.4688 0.4687-0.0000 ( 1870 PWs) bands (ev): -17.6795 -17.6795 -17.6554 -17.6554 -17.0932 -17.0932 -17.0833 -17.0833 -3.0851 -3.0851 -3.0232 -3.0232 -2.8341 -2.8341 -2.7790 -2.7790 -1.3143 -1.3143 -1.2648 -1.2648 -0.5410 -0.5410 -0.5296 -0.5296 2.0141 2.0141 2.0388 2.0388 4.0549 4.0549 4.0726 4.0726 11.9937 11.9937 12.0254 12.0254 12.3952 12.3952 12.4218 12.4218 k = 0.4609 0.4609-0.0000 ( 1870 PWs) bands (ev): -17.6912 -17.6912 -17.6541 -17.6541 -17.0910 -17.0910 -17.0761 -17.0761 -3.1030 -3.1030 -3.0143 -3.0143 -2.8278 -2.8278 -2.7498 -2.7498 -1.3343 -1.3343 -1.2575 -1.2575 -0.5461 -0.5461 -0.5283 -0.5283 2.0175 2.0175 2.0555 2.0555 4.0360 4.0360 4.0635 4.0635 11.9831 11.9831 12.0325 12.0325 12.3780 12.3780 12.4192 12.4192 k = 0.4531 0.4531-0.0000 ( 1874 PWs) bands (ev): -17.7051 -17.7051 -17.6526 -17.6526 -17.0882 -17.0882 -17.0676 -17.0676 -3.1209 -3.1209 -3.0035 -3.0035 -2.8202 -2.8202 -2.7183 -2.7183 -1.3584 -1.3584 -1.2486 -1.2486 -0.5522 -0.5522 -0.5269 -0.5269 2.0215 2.0215 2.0754 2.0754 4.0129 4.0129 4.0525 4.0525 11.9701 11.9701 12.0413 12.0413 12.3573 12.3573 12.4158 12.4158 k = 0.4453 0.4453-0.0000 ( 1874 PWs) bands (ev): -17.7209 -17.7209 -17.6508 -17.6508 -17.0851 -17.0851 -17.0582 -17.0582 -3.1383 -3.1383 -2.9908 -2.9908 -2.8111 -2.8111 -2.6850 -2.6850 -1.3863 -1.3863 -1.2382 -1.2382 -0.5590 -0.5590 -0.5251 -0.5251 2.0263 2.0263 2.0984 2.0984 3.9859 3.9859 4.0396 4.0396 11.9548 11.9548 12.0517 12.0517 12.3332 12.3332 12.4115 12.4115 k = 0.4375 0.4375-0.0000 ( 1870 PWs) bands (ev): -17.7384 -17.7384 -17.6487 -17.6487 -17.0814 -17.0814 -17.0479 -17.0479 -3.1548 -3.1548 -2.9763 -2.9763 -2.8007 -2.8007 -2.6505 -2.6505 -1.4178 -1.4178 -1.2261 -1.2261 -0.5666 -0.5666 -0.5230 -0.5230 2.0318 2.0318 2.1241 2.1241 3.9551 3.9551 4.0247 4.0247 11.9373 11.9373 12.0637 12.0637 12.3059 12.3059 12.4064 12.4064 k = 0.4297 0.4297-0.0000 ( 1866 PWs) bands (ev): -17.7575 -17.7575 -17.6463 -17.6463 -17.0773 -17.0773 -17.0370 -17.0370 -3.1703 -3.1703 -2.9599 -2.9599 -2.7890 -2.7890 -2.6149 -2.6149 -1.4526 -1.4526 -1.2124 -1.2124 -0.5748 -0.5748 -0.5206 -0.5206 2.0380 2.0380 2.1523 2.1523 3.9204 3.9204 4.0080 4.0080 11.9176 11.9176 12.0773 12.0773 12.2755 12.2755 12.4003 12.4003 k = 0.4219 0.4219-0.0000 ( 1866 PWs) bands (ev): -17.7779 -17.7779 -17.6438 -17.6438 -17.0727 -17.0727 -17.0256 -17.0256 -3.1847 -3.1847 -2.9418 -2.9418 -2.7759 -2.7759 -2.5787 -2.5787 -1.4904 -1.4904 -1.1971 -1.1971 -0.5834 -0.5834 -0.5178 -0.5178 2.0448 2.0448 2.1826 2.1826 3.8821 3.8821 3.9895 3.9895 11.8956 11.8956 12.0925 12.0925 12.2424 12.2424 12.3931 12.3931 k = 0.4141 0.4141-0.0000 ( 1866 PWs) bands (ev): -17.7996 -17.7996 -17.6409 -17.6409 -17.0677 -17.0677 -17.0139 -17.0139 -3.1977 -3.1977 -2.9221 -2.9221 -2.7615 -2.7615 -2.5420 -2.5420 -1.5309 -1.5309 -1.1803 -1.1803 -0.5922 -0.5922 -0.5148 -0.5148 2.0524 2.0524 2.2147 2.2147 3.8401 3.8401 3.9692 3.9692 11.8716 11.8716 12.1093 12.1093 12.2068 12.2068 12.3846 12.3846 k = 0.4062 0.4062-0.0000 ( 1862 PWs) bands (ev): -17.8222 -17.8222 -17.6379 -17.6379 -17.0622 -17.0622 -17.0019 -17.0019 -3.2095 -3.2095 -2.9006 -2.9006 -2.7458 -2.7458 -2.5051 -2.5051 -1.5738 -1.5738 -1.1620 -1.1620 -0.6010 -0.6010 -0.5113 -0.5113 2.0606 2.0606 2.2483 2.2483 3.7948 3.7948 3.9472 3.9472 11.8455 11.8455 12.1272 12.1272 12.1693 12.1693 12.3748 12.3748 k = 0.3984 0.3984-0.0000 ( 1872 PWs) bands (ev): -17.8458 -17.8458 -17.6347 -17.6347 -17.0563 -17.0563 -16.9898 -16.9898 -3.2199 -3.2199 -2.8777 -2.8777 -2.7288 -2.7288 -2.4682 -2.4682 -1.6190 -1.6190 -1.1421 -1.1421 -0.6096 -0.6096 -0.5075 -0.5075 2.0694 2.0694 2.2831 2.2831 3.7461 3.7461 3.9234 3.9234 11.8173 11.8173 12.1251 12.1251 12.1513 12.1513 12.3636 12.3636 k = 0.3906 0.3906-0.0000 ( 1866 PWs) bands (ev): -17.8701 -17.8701 -17.6312 -17.6312 -17.0500 -17.0500 -16.9777 -16.9777 -3.2289 -3.2289 -2.8533 -2.8533 -2.7105 -2.7105 -2.4316 -2.4316 -1.6661 -1.6661 -1.1207 -1.1207 -0.6178 -0.6178 -0.5033 -0.5033 2.0789 2.0789 2.3189 2.3189 3.6943 3.6943 3.8981 3.8981 11.7872 11.7872 12.0844 12.0844 12.1716 12.1716 12.3508 12.3508 k = 0.3828 0.3828-0.0000 ( 1864 PWs) bands (ev): -17.8950 -17.8950 -17.6275 -17.6275 -17.0433 -17.0433 -16.9656 -16.9656 -3.2365 -3.2365 -2.8275 -2.8275 -2.6910 -2.6910 -2.3954 -2.3954 -1.7149 -1.7149 -1.0978 -1.0978 -0.6252 -0.6252 -0.4987 -0.4987 2.0890 2.0890 2.3553 2.3553 3.6395 3.6395 3.8712 3.8712 11.7552 11.7552 12.0405 12.0405 12.1951 12.1951 12.3363 12.3363 k = 0.3750 0.3750-0.0000 ( 1864 PWs) bands (ev): -17.9206 -17.9206 -17.6237 -17.6237 -17.0362 -17.0362 -16.9536 -16.9536 -3.2429 -3.2429 -2.8005 -2.8005 -2.6702 -2.6702 -2.3598 -2.3598 -1.7650 -1.7650 -1.0735 -1.0735 -0.6316 -0.6316 -0.4937 -0.4937 2.0996 2.0996 2.3920 2.3920 3.5818 3.5818 3.8428 3.8428 11.7213 11.7213 11.9949 11.9949 12.2204 12.2204 12.3201 12.3201 k = 0.3672 0.3672-0.0000 ( 1864 PWs) bands (ev): -17.9466 -17.9466 -17.6197 -17.6197 -17.0288 -17.0288 -16.9418 -16.9418 -3.2479 -3.2479 -2.7724 -2.7724 -2.6483 -2.6483 -2.3251 -2.3251 -1.8164 -1.8164 -1.0476 -1.0476 -0.6367 -0.6367 -0.4882 -0.4882 2.1108 2.1108 2.4288 2.4288 3.5215 3.5215 3.8130 3.8130 11.6857 11.6857 11.9479 11.9479 12.2474 12.2474 12.3023 12.3023 k = 0.3594 0.3594-0.0000 ( 1864 PWs) bands (ev): -17.9729 -17.9729 -17.6156 -17.6156 -17.0210 -17.0210 -16.9302 -16.9302 -3.2516 -3.2516 -2.7434 -2.7434 -2.6251 -2.6251 -2.2914 -2.2914 -1.8688 -1.8688 -1.0204 -1.0204 -0.6403 -0.6403 -0.4822 -0.4822 2.1226 2.1226 2.4655 2.4655 3.4586 3.4586 3.7818 3.7818 11.6485 11.6485 11.8998 11.8998 12.2734 12.2734 12.2852 12.2852 k = 0.3516 0.3516-0.0000 ( 1872 PWs) bands (ev): -17.9996 -17.9996 -17.6113 -17.6113 -17.0128 -17.0128 -16.9188 -16.9188 -3.2541 -3.2541 -2.7136 -2.7136 -2.6008 -2.6008 -2.2588 -2.2588 -1.9220 -1.9220 -0.9917 -0.9917 -0.6421 -0.6421 -0.4758 -0.4758 2.1348 2.1348 2.5017 2.5017 3.3933 3.3933 3.7493 3.7493 11.6096 11.6096 11.8507 11.8507 12.2591 12.2591 12.3080 12.3080 k = 0.3438 0.3437-0.0000 ( 1872 PWs) bands (ev): -18.0264 -18.0264 -17.6069 -17.6069 -17.0044 -17.0044 -16.9076 -16.9076 -3.2554 -3.2554 -2.6832 -2.6832 -2.5754 -2.5754 -2.2276 -2.2276 -1.9758 -1.9758 -0.9617 -0.9617 -0.6417 -0.6417 -0.4688 -0.4688 2.1476 2.1476 2.5373 2.5373 3.3259 3.3259 3.7155 3.7155 11.5693 11.5693 11.8009 11.8009 12.2354 12.2354 12.3400 12.3400 k = 0.3359 0.3359-0.0000 ( 1880 PWs) bands (ev): -18.0535 -18.0535 -17.6025 -17.6025 -16.9956 -16.9956 -16.8967 -16.8967 -3.2556 -3.2556 -2.6525 -2.6525 -2.5489 -2.5489 -2.1977 -2.1977 -2.0299 -2.0299 -0.9303 -0.9303 -0.6389 -0.6389 -0.4613 -0.4613 2.1607 2.1607 2.5721 2.5721 3.2564 3.2564 3.6806 3.6806 11.5275 11.5275 11.7506 11.7506 12.2094 12.2094 12.3739 12.3739 k = 0.3281 0.3281-0.0000 ( 1878 PWs) bands (ev): -18.0806 -18.0806 -17.5979 -17.5979 -16.9866 -16.9866 -16.8861 -16.8861 -3.2548 -3.2548 -2.6217 -2.6217 -2.5213 -2.5213 -2.1692 -2.1692 -2.0844 -2.0844 -0.8976 -0.8976 -0.6335 -0.6335 -0.4532 -0.4532 2.1744 2.1744 2.6059 2.6059 3.1850 3.1850 3.6445 3.6445 11.4844 11.4844 11.7000 11.7000 12.1813 12.1813 12.4095 12.4095 k = 0.3203 0.3203-0.0000 ( 1878 PWs) bands (ev): -18.1078 -18.1078 -17.5933 -17.5933 -16.9773 -16.9773 -16.8757 -16.8757 -3.2530 -3.2530 -2.5911 -2.5911 -2.4926 -2.4926 -2.1419 -2.1419 -2.1389 -2.1389 -0.8636 -0.8636 -0.6253 -0.6253 -0.4445 -0.4445 2.1884 2.1884 2.6385 2.6385 3.1119 3.1119 3.6074 3.6074 11.4402 11.4402 11.6492 11.6492 12.1511 12.1511 12.4467 12.4467 k = 0.3125 0.3125-0.0000 ( 1874 PWs) bands (ev): -18.1350 -18.1350 -17.5886 -17.5886 -16.9677 -16.9677 -16.8656 -16.8656 -3.2503 -3.2503 -2.5610 -2.5610 -2.4630 -2.4630 -2.1934 -2.1934 -2.1157 -2.1157 -0.8284 -0.8284 -0.6142 -0.6142 -0.4352 -0.4352 2.2029 2.2029 2.6698 2.6698 3.0373 3.0373 3.5693 3.5693 11.3948 11.3948 11.5985 11.5985 12.1188 12.1188 12.4855 12.4855 k = 0.3047 0.3047-0.0000 ( 1870 PWs) bands (ev): -18.1620 -18.1620 -17.5839 -17.5839 -16.9580 -16.9580 -16.8558 -16.8558 -3.2469 -3.2469 -2.5319 -2.5319 -2.4325 -2.4325 -2.2477 -2.2477 -2.0904 -2.0904 -0.7919 -0.7919 -0.6001 -0.6001 -0.4253 -0.4253 2.2176 2.2176 2.6996 2.6996 2.9613 2.9613 3.5303 3.5303 11.3484 11.3484 11.5480 11.5480 12.0846 12.0846 12.5259 12.5259 k = 0.2969 0.2969-0.0000 ( 1866 PWs) bands (ev): -18.1890 -18.1890 -17.5792 -17.5792 -16.9480 -16.9480 -16.8463 -16.8463 -3.2428 -3.2428 -2.5040 -2.5040 -2.4011 -2.4011 -2.3016 -2.3016 -2.0655 -2.0655 -0.7543 -0.7543 -0.5830 -0.5830 -0.4147 -0.4147 2.2327 2.2327 2.7278 2.7278 2.8841 2.8841 3.4905 3.4905 11.3012 11.3012 11.4979 11.4979 12.0484 12.0484 12.5677 12.5677 k = 0.2891 0.2891-0.0000 ( 1862 PWs) bands (ev): -18.2158 -18.2158 -17.5744 -17.5744 -16.9379 -16.9379 -16.8371 -16.8371 -3.2383 -3.2383 -2.4779 -2.4779 -2.3702 -2.3702 -2.3535 -2.3535 -2.0408 -2.0408 -0.7156 -0.7156 -0.5629 -0.5629 -0.4034 -0.4034 2.2480 2.2480 2.7539 2.7539 2.8062 2.8062 3.4499 3.4499 11.2532 11.2532 11.4483 11.4483 12.0103 12.0103 12.6109 12.6109 k = 0.2812 0.2812-0.0000 ( 1862 PWs) bands (ev): -18.2423 -18.2423 -17.5697 -17.5697 -16.9276 -16.9276 -16.8282 -16.8282 -3.2333 -3.2333 -2.4540 -2.4540 -2.4087 -2.4087 -2.3347 -2.3347 -2.0158 -2.0158 -0.6757 -0.6757 -0.5399 -0.5399 -0.3915 -0.3915 2.2636 2.2636 2.7257 2.7257 2.7797 2.7797 3.4085 3.4085 11.2045 11.2045 11.3995 11.3995 11.9705 11.9705 12.6554 12.6554 k = 0.2734 0.2734-0.0000 ( 1860 PWs) bands (ev): -18.2686 -18.2686 -17.5651 -17.5651 -16.9172 -16.9172 -16.8195 -16.8195 -3.2281 -3.2281 -2.4618 -2.4618 -2.4313 -2.4313 -2.3008 -2.3008 -1.9900 -1.9900 -0.6349 -0.6349 -0.5143 -0.5143 -0.3788 -0.3788 2.2794 2.2794 2.6460 2.6460 2.8021 2.8021 3.3666 3.3666 11.1553 11.1553 11.3515 11.3515 11.9290 11.9290 12.7011 12.7011 k = 0.2656 0.2656-0.0000 ( 1864 PWs) bands (ev): -18.2946 -18.2946 -17.5605 -17.5605 -16.9067 -16.9067 -16.8112 -16.8112 -3.2227 -3.2227 -2.5132 -2.5132 -2.4124 -2.4124 -2.2660 -2.2660 -1.9632 -1.9632 -0.5930 -0.5930 -0.4861 -0.4861 -0.3654 -0.3654 2.2952 2.2952 2.5654 2.5654 2.8228 2.8228 3.3240 3.3240 11.1056 11.1056 11.3046 11.3046 11.8859 11.8859 12.7480 12.7480 k = 0.2578 0.2578-0.0000 ( 1864 PWs) bands (ev): -18.3203 -18.3203 -17.5559 -17.5559 -16.8961 -16.8961 -16.8031 -16.8031 -3.2175 -3.2175 -2.5641 -2.5641 -2.3958 -2.3958 -2.2304 -2.2304 -1.9350 -1.9350 -0.5502 -0.5502 -0.4555 -0.4555 -0.3512 -0.3512 2.3112 2.3112 2.4844 2.4844 2.8415 2.8415 3.2810 3.2810 11.0557 11.0557 11.2588 11.2588 11.8414 11.8414 12.7959 12.7959 k = 0.2500 0.2500-0.0000 ( 1864 PWs) bands (ev): -18.3456 -18.3456 -17.5514 -17.5514 -16.8855 -16.8855 -16.7952 -16.7952 -3.2124 -3.2124 -2.6142 -2.6142 -2.3817 -2.3817 -2.1942 -2.1942 -1.9052 -1.9052 -0.5066 -0.5066 -0.4230 -0.4230 -0.3363 -0.3363 2.3267 2.3267 2.4035 2.4035 2.8582 2.8582 3.2375 3.2375 11.0056 11.0056 11.2143 11.2143 11.7957 11.7957 12.8447 12.8447 k = 0.2422 0.2422-0.0000 ( 1870 PWs) bands (ev): -18.3705 -18.3705 -17.5470 -17.5470 -16.8748 -16.8748 -16.7876 -16.7876 -3.2078 -3.2078 -2.6634 -2.6634 -2.3698 -2.3698 -2.1573 -2.1573 -1.8741 -1.8741 -0.4622 -0.4622 -0.3886 -0.3886 -0.3206 -0.3206 2.3174 2.3174 2.3473 2.3473 2.8727 2.8727 3.1937 3.1937 10.9554 10.9554 11.1711 11.1711 11.7488 11.7488 12.8943 12.8943 k = 0.2344 0.2344-0.0000 ( 1870 PWs) bands (ev): -18.3949 -18.3949 -17.5428 -17.5428 -16.8641 -16.8641 -16.7802 -16.7802 -3.2037 -3.2037 -2.7115 -2.7115 -2.3598 -2.3598 -2.1199 -2.1199 -1.8415 -1.8415 -0.4171 -0.4171 -0.3527 -0.3527 -0.3040 -0.3040 2.2380 2.2380 2.3611 2.3611 2.8850 2.8850 3.1495 3.1495 10.9053 10.9053 11.1295 11.1295 11.7011 11.7011 12.9446 12.9446 k = 0.2266 0.2266-0.0000 ( 1870 PWs) bands (ev): -18.4188 -18.4188 -17.5386 -17.5386 -16.8535 -16.8535 -16.7730 -16.7730 -3.2003 -3.2003 -2.7586 -2.7586 -2.3514 -2.3514 -2.0819 -2.0819 -1.8077 -1.8077 -0.3714 -0.3714 -0.3156 -0.3156 -0.2866 -0.2866 2.1565 2.1565 2.3770 2.3770 2.8952 2.8952 3.1052 3.1052 10.8553 10.8553 11.0896 11.0896 11.6525 11.6525 12.9955 12.9955 k = 0.2188 0.2187-0.0000 ( 1866 PWs) bands (ev): -18.4422 -18.4422 -17.5345 -17.5345 -16.8429 -16.8429 -16.7661 -16.7661 -3.1978 -3.1978 -2.8046 -2.8046 -2.3441 -2.3441 -2.0434 -2.0434 -1.7730 -1.7730 -0.3253 -0.3253 -0.2781 -0.2781 -0.2675 -0.2675 2.0750 2.0750 2.3931 2.3931 2.9031 2.9031 3.0608 3.0608 10.8058 10.8058 11.0513 11.0513 11.6034 11.6034 13.0348 13.0348 k = 0.2109 0.2109-0.0000 ( 1866 PWs) bands (ev): -18.4651 -18.4651 -17.5306 -17.5306 -16.8324 -16.8324 -16.7594 -16.7594 -3.1962 -3.1962 -2.8493 -2.8493 -2.3374 -2.3374 -2.0045 -2.0045 -1.7377 -1.7377 -0.2793 -0.2793 -0.2501 -0.2501 -0.2368 -0.2368 1.9937 1.9937 2.4091 2.4091 2.9089 2.9089 3.0164 3.0164 10.7566 10.7566 11.0149 11.0149 11.5538 11.5538 12.9409 12.9409 k = 0.2031 0.2031-0.0000 ( 1858 PWs) bands (ev): -18.4874 -18.4874 -17.5268 -17.5268 -16.8220 -16.8220 -16.7529 -16.7529 -3.1957 -3.1957 -2.8928 -2.8928 -2.3309 -2.3309 -1.9653 -1.9653 -1.7020 -1.7020 -0.2386 -0.2386 -0.2234 -0.2234 -0.1977 -0.1977 1.9129 1.9129 2.4251 2.4251 2.9121 2.9121 2.9724 2.9724 10.7080 10.7080 10.9803 10.9803 11.5040 11.5040 12.8484 12.8484 k = 0.1953 0.1953-0.0000 ( 1862 PWs) bands (ev): -18.5091 -18.5091 -17.5232 -17.5232 -16.8117 -16.8117 -16.7466 -16.7466 -3.1965 -3.1965 -2.9350 -2.9350 -2.3243 -2.3243 -1.9257 -1.9257 -1.6662 -1.6662 -0.2138 -0.2138 -0.1805 -0.1805 -0.1578 -0.1578 1.8326 1.8326 2.4408 2.4408 2.9100 2.9100 2.9317 2.9317 10.6601 10.6601 10.9477 10.9477 11.4541 11.4541 12.7574 12.7574 k = 0.1875 0.1875-0.0000 ( 1858 PWs) bands (ev): -18.5301 -18.5301 -17.5198 -17.5198 -16.8016 -16.8016 -16.7405 -16.7405 -3.1984 -3.1984 -2.9759 -2.9759 -2.3174 -2.3174 -1.8858 -1.8858 -1.6305 -1.6305 -0.1922 -0.1922 -0.1336 -0.1336 -0.1175 -0.1175 1.7530 1.7530 2.4563 2.4563 2.8793 2.8793 2.9178 2.9178 10.6130 10.6130 10.9171 10.9171 11.4045 11.4045 12.6682 12.6682 k = 0.1797 0.1797-0.0000 ( 1858 PWs) bands (ev): -18.5505 -18.5505 -17.5164 -17.5164 -16.7916 -16.7916 -16.7346 -16.7346 -3.2016 -3.2016 -3.0153 -3.0153 -2.3098 -2.3098 -1.8458 -1.8458 -1.5953 -1.5953 -0.1705 -0.1705 -0.0867 -0.0867 -0.0767 -0.0767 1.6743 1.6743 2.4716 2.4716 2.8364 2.8364 2.9144 2.9144 10.5668 10.5668 10.8885 10.8885 11.3551 11.3551 12.5809 12.5809 k = 0.1719 0.1719-0.0000 ( 1858 PWs) bands (ev): -18.5702 -18.5702 -17.5133 -17.5133 -16.7819 -16.7819 -16.7289 -16.7289 -3.2060 -3.2060 -3.0534 -3.0534 -2.3014 -2.3014 -1.8057 -1.8057 -1.5607 -1.5607 -0.1484 -0.1484 -0.0422 -0.0422 -0.0335 -0.0335 1.5965 1.5965 2.4865 2.4865 2.7928 2.7928 2.9100 2.9100 10.5217 10.5217 10.8619 10.8619 11.3063 11.3063 12.4956 12.4956 k = 0.1641 0.1641-0.0000 ( 1858 PWs) bands (ev): -18.5892 -18.5892 -17.5103 -17.5103 -16.7724 -16.7724 -16.7234 -16.7234 -3.2115 -3.2115 -3.0900 -3.0900 -2.2922 -2.2922 -1.7655 -1.7655 -1.5268 -1.5268 -0.1258 -0.1258 -0.0014 -0.0014 0.0128 0.0128 1.5198 1.5198 2.5011 2.5011 2.7495 2.7495 2.9041 2.9041 10.4777 10.4777 10.8374 10.8374 11.2582 11.2582 12.4125 12.4125 k = 0.1562 0.1562-0.0000 ( 1860 PWs) bands (ev): -18.6075 -18.6075 -17.5075 -17.5075 -16.7631 -16.7631 -16.7181 -16.7181 -3.2181 -3.2181 -3.1251 -3.1251 -2.2820 -2.2820 -1.7254 -1.7254 -1.4940 -1.4940 -0.1028 -0.1028 0.0376 0.0376 0.0601 0.0601 1.4443 1.4443 2.5153 2.5153 2.7066 2.7066 2.8965 2.8965 10.4349 10.4349 10.8149 10.8149 11.2110 11.2110 12.3318 12.3318 k = 0.1484 0.1484-0.0000 ( 1864 PWs) bands (ev): -18.6250 -18.6250 -17.5048 -17.5048 -16.7541 -16.7541 -16.7130 -16.7130 -3.2256 -3.2256 -3.1586 -3.1586 -2.2710 -2.2710 -1.6854 -1.6854 -1.4623 -1.4623 -0.0794 -0.0794 0.0756 0.0756 0.1074 0.1074 1.3701 1.3701 2.5291 2.5291 2.6643 2.6643 2.8875 2.8875 10.3936 10.3936 10.7945 10.7945 11.1648 11.1648 12.2535 12.2535 k = 0.1406 0.1406-0.0000 ( 1864 PWs) bands (ev): -18.6417 -18.6417 -17.5023 -17.5023 -16.7455 -16.7455 -16.7081 -16.7081 -3.2340 -3.2340 -3.1906 -3.1906 -2.2591 -2.2591 -1.6456 -1.6456 -1.4319 -1.4319 -0.0557 -0.0557 0.1125 0.1125 0.1542 0.1542 1.2975 1.2975 2.5422 2.5422 2.6230 2.6230 2.8771 2.8771 10.3537 10.3537 10.7761 10.7761 11.1199 11.1199 12.1778 12.1778 k = 0.1328 0.1328-0.0000 ( 1866 PWs) bands (ev): -18.6577 -18.6577 -17.5000 -17.5000 -16.7371 -16.7371 -16.7035 -16.7035 -3.2430 -3.2430 -3.2210 -3.2210 -2.2466 -2.2466 -1.6061 -1.6061 -1.4030 -1.4030 -0.0317 -0.0317 0.1483 0.1483 0.2005 0.2005 1.2265 1.2265 2.5537 2.5537 2.5834 2.5834 2.8654 2.8654 10.3154 10.3154 10.7596 10.7596 11.0764 11.0764 12.1049 12.1049 k = 0.1250 0.1250-0.0000 ( 1869 PWs) bands (ev): -18.6728 -18.6728 -17.4978 -17.4978 -16.7291 -16.7291 -16.6991 -16.6991 -3.2528 -3.2528 -3.2495 -3.2495 -2.2335 -2.2335 -1.5671 -1.5671 -1.3755 -1.3755 -0.0077 -0.0077 0.1828 0.1828 0.2459 0.2459 1.1573 1.1573 2.5395 2.5395 2.5701 2.5701 2.8526 2.8526 10.2787 10.2787 10.7450 10.7450 11.0344 11.0344 12.0350 12.0350 k = 0.1172 0.1172-0.0000 ( 1859 PWs) bands (ev): -18.6871 -18.6871 -17.4958 -17.4958 -16.7215 -16.7215 -16.6948 -16.6948 -3.2771 -3.2771 -3.2622 -3.2622 -2.2199 -2.2199 -1.5286 -1.5286 -1.3496 -1.3496 0.0164 0.0164 0.2160 0.2160 0.2903 0.2903 1.0901 1.0901 2.5020 2.5020 2.5807 2.5807 2.8390 2.8390 10.2438 10.2438 10.7322 10.7322 10.9942 10.9942 11.9682 11.9682 k = 0.1094 0.1094-0.0000 ( 1867 PWs) bands (ev): -18.7005 -18.7005 -17.4940 -17.4940 -16.7143 -16.7143 -16.6908 -16.6908 -3.3026 -3.3026 -3.2723 -3.2723 -2.2060 -2.2060 -1.4909 -1.4909 -1.3254 -1.3254 0.0403 0.0403 0.2478 0.2478 0.3335 0.3335 1.0250 1.0250 2.4648 2.4648 2.5916 2.5916 2.8245 2.8245 10.2108 10.2108 10.7211 10.7211 10.9559 10.9559 11.9047 11.9047 k = 0.1016 0.1016-0.0000 ( 1867 PWs) bands (ev): -18.7131 -18.7131 -17.4923 -17.4923 -16.7074 -16.7074 -16.6871 -16.6871 -3.3264 -3.3264 -3.2823 -3.2823 -2.1921 -2.1921 -1.4540 -1.4540 -1.3028 -1.3028 0.0640 0.0640 0.2779 0.2779 0.3753 0.3753 0.9622 0.9622 2.4288 2.4288 2.6021 2.6021 2.8095 2.8095 10.1797 10.1797 10.7117 10.7117 10.9196 10.9196 11.8446 11.8446 k = 0.0938 0.0937-0.0000 ( 1871 PWs) bands (ev): -18.7248 -18.7248 -17.4908 -17.4908 -16.7010 -16.7010 -16.6836 -16.6836 -3.3486 -3.3486 -3.2922 -3.2922 -2.1783 -2.1783 -1.4182 -1.4182 -1.2821 -1.2821 0.0873 0.0873 0.3064 0.3064 0.4154 0.4154 0.9020 0.9020 2.3943 2.3943 2.6119 2.6119 2.7941 2.7941 10.1505 10.1505 10.7038 10.7038 10.8854 10.8854 11.7881 11.7881 k = 0.0859 0.0859-0.0000 ( 1873 PWs) bands (ev): -18.7356 -18.7356 -17.4894 -17.4894 -16.6950 -16.6950 -16.6803 -16.6803 -3.3690 -3.3690 -3.3018 -3.3018 -2.1648 -2.1648 -1.3837 -1.3837 -1.2630 -1.2630 0.1101 0.1101 0.3330 0.3330 0.4536 0.4536 0.8445 0.8445 2.3616 2.3616 2.6211 2.6211 2.7787 2.7787 10.1234 10.1234 10.6972 10.6972 10.8534 10.8534 11.7353 11.7353 k = 0.0781 0.0781-0.0000 ( 1877 PWs) bands (ev): -18.7456 -18.7456 -17.4881 -17.4881 -16.6895 -16.6895 -16.6773 -16.6773 -3.3877 -3.3877 -3.3110 -3.3110 -2.1517 -2.1517 -1.3507 -1.3507 -1.2458 -1.2458 0.1322 0.1322 0.3577 0.3577 0.4897 0.4897 0.7901 0.7901 2.3308 2.3308 2.6296 2.6296 2.7634 2.7634 10.0985 10.0985 10.6919 10.6919 10.8239 10.8239 11.6864 11.6864 k = 0.0703 0.0703-0.0000 ( 1881 PWs) bands (ev): -18.7546 -18.7546 -17.4870 -17.4870 -16.6845 -16.6845 -16.6746 -16.6746 -3.4047 -3.4047 -3.3197 -3.3197 -2.1393 -2.1393 -1.3194 -1.3194 -1.2302 -1.2302 0.1536 0.1536 0.3803 0.3803 0.5234 0.5234 0.7388 0.7388 2.3021 2.3021 2.6374 2.6374 2.7484 2.7484 10.0758 10.0758 10.6878 10.6878 10.7969 10.7969 11.6415 11.6415 k = 0.0625 0.0625-0.0000 ( 1873 PWs) bands (ev): -18.7626 -18.7626 -17.4860 -17.4860 -16.6800 -16.6800 -16.6721 -16.6721 -3.4199 -3.4199 -3.3278 -3.3278 -2.1276 -2.1276 -1.2902 -1.2902 -1.2164 -1.2164 0.1739 0.1739 0.4009 0.4009 0.5544 0.5544 0.6911 0.6911 2.2758 2.2758 2.6445 2.6445 2.7342 2.7342 10.0553 10.0553 10.6846 10.6846 10.7724 10.7724 11.6009 11.6009 k = 0.0547 0.0547-0.0000 ( 1873 PWs) bands (ev): -18.7698 -18.7698 -17.4851 -17.4851 -16.6760 -16.6760 -16.6699 -16.6699 -3.4333 -3.4333 -3.3351 -3.3351 -2.1169 -2.1169 -1.2634 -1.2634 -1.2043 -1.2043 0.1931 0.1931 0.4193 0.4193 0.5824 0.5824 0.6473 0.6473 2.2519 2.2519 2.6507 2.6507 2.7208 2.7208 10.0371 10.0371 10.6823 10.6823 10.7506 10.7506 11.5646 11.5646 k = 0.0469 0.0469-0.0000 ( 1885 PWs) bands (ev): -18.7760 -18.7760 -17.4844 -17.4844 -16.6724 -16.6724 -16.6680 -16.6680 -3.4450 -3.4450 -3.3416 -3.3416 -2.1073 -2.1073 -1.2393 -1.2393 -1.1939 -1.1939 0.2110 0.2110 0.4353 0.4353 0.6024 0.6024 0.6126 0.6126 2.2308 2.2308 2.6562 2.6562 2.7086 2.7086 10.0212 10.0212 10.6806 10.6806 10.7316 10.7316 11.5328 11.5328 k = 0.0391 0.0391-0.0000 ( 1879 PWs) bands (ev): -18.7813 -18.7813 -17.4838 -17.4838 -16.6694 -16.6694 -16.6663 -16.6663 -3.4549 -3.4549 -3.3473 -3.3473 -2.0990 -2.0990 -1.2183 -1.2183 -1.1850 -1.1850 0.2275 0.2275 0.4490 0.4490 0.5713 0.5713 0.6300 0.6300 2.2126 2.2126 2.6608 2.6608 2.6978 2.6978 10.0077 10.0077 10.6794 10.6794 10.7154 10.7154 11.5056 11.5056 k = 0.0312 0.0312-0.0000 ( 1875 PWs) bands (ev): -18.7856 -18.7856 -17.4832 -17.4832 -16.6670 -16.6670 -16.6650 -16.6650 -3.4630 -3.4630 -3.3519 -3.3519 -2.0920 -2.0920 -1.2008 -1.2008 -1.1776 -1.1776 0.2422 0.2422 0.4601 0.4601 0.5411 0.5411 0.6479 0.6479 2.1974 2.1974 2.6647 2.6647 2.6886 2.6886 9.9966 9.9966 10.6787 10.6787 10.7021 10.7021 11.4832 11.4832 k = 0.0234 0.0234-0.0000 ( 1871 PWs) bands (ev): -18.7890 -18.7890 -17.4828 -17.4828 -16.6650 -16.6650 -16.6639 -16.6639 -3.4693 -3.4693 -3.3556 -3.3556 -2.0864 -2.0864 -1.1872 -1.1872 -1.1714 -1.1714 0.2547 0.2547 0.4686 0.4686 0.5165 0.5165 0.6622 0.6622 2.1854 2.1854 2.6677 2.6677 2.6813 2.6813 9.9880 9.9880 10.6783 10.6783 10.6917 10.6917 11.4657 11.4657 k = 0.0156 0.0156-0.0000 ( 1873 PWs) bands (ev): -18.7914 -18.7914 -17.4826 -17.4826 -16.6637 -16.6637 -16.6632 -16.6632 -3.4738 -3.4738 -3.3583 -3.3583 -2.0824 -2.0824 -1.1780 -1.1780 -1.1664 -1.1664 0.2645 0.2645 0.4739 0.4739 0.4987 0.4987 0.6725 0.6725 2.1768 2.1768 2.6698 2.6698 2.6759 2.6759 9.9818 9.9818 10.6781 10.6781 10.6843 10.6843 11.4531 11.4531 k = 0.0078 0.0078-0.0000 ( 1873 PWs) bands (ev): -18.7928 -18.7928 -17.4824 -17.4824 -16.6628 -16.6628 -16.6627 -16.6627 -3.4765 -3.4765 -3.3599 -3.3599 -2.0800 -2.0800 -1.1730 -1.1730 -1.1626 -1.1626 0.2709 0.2709 0.4750 0.4750 0.4896 0.4896 0.6787 0.6787 2.1715 2.1715 2.6711 2.6711 2.6726 2.6726 9.9781 9.9781 10.6777 10.6777 10.6801 10.6801 11.4455 11.4455 k = 0.0000 0.0000 0.0000 ( 1873 PWs) bands (ev): -18.7933 -18.7933 -17.4823 -17.4823 -16.6626 -16.6626 -16.6625 -16.6625 -3.4774 -3.4774 -3.3604 -3.3604 -2.0792 -2.0792 -1.1715 -1.1715 -1.1612 -1.1612 0.2731 0.2731 0.4741 0.4741 0.4878 0.4878 0.6808 0.6808 2.1698 2.1698 2.6714 2.6714 2.6716 2.6716 9.9768 9.9768 10.6772 10.6772 10.6791 10.6791 11.4429 11.4429 k = 0.0000 0.0000 0.0000 ( 1873 PWs) bands (ev): -18.7933 -18.7933 -17.4823 -17.4823 -16.6626 -16.6626 -16.6625 -16.6625 -3.4774 -3.4774 -3.3604 -3.3604 -2.0792 -2.0792 -1.1715 -1.1715 -1.1612 -1.1612 0.2731 0.2731 0.4741 0.4741 0.4878 0.4878 0.6808 0.6808 2.1698 2.1698 2.6714 2.6714 2.6716 2.6716 9.9768 9.9768 10.6772 10.6772 10.6791 10.6791 11.4429 11.4429 k = 0.0000 0.0000 0.0110 ( 1873 PWs) bands (ev): -18.7928 -18.7928 -17.4829 -17.4829 -16.6626 -16.6626 -16.6625 -16.6625 -3.4904 -3.4904 -3.3454 -3.3454 -2.0809 -2.0809 -1.1711 -1.1711 -1.1608 -1.1608 0.2738 0.2738 0.4731 0.4731 0.4868 0.4868 0.6802 0.6802 2.1689 2.1689 2.6716 2.6716 2.6718 2.6718 9.9768 9.9768 10.6780 10.6780 10.6799 10.6799 11.4464 11.4464 k = 0.0000 0.0000 0.0220 ( 1865 PWs) bands (ev): -18.7914 -18.7914 -17.4847 -17.4847 -16.6625 -16.6625 -16.6625 -16.6625 -3.5185 -3.5185 -3.3113 -3.3113 -2.0859 -2.0859 -1.1698 -1.1698 -1.1595 -1.1595 0.2758 0.2758 0.4702 0.4702 0.4839 0.4839 0.6783 0.6783 2.1661 2.1661 2.6723 2.6723 2.6725 2.6725 9.9767 9.9767 10.6805 10.6805 10.6824 10.6824 11.4566 11.4566 k = 0.0000 0.0000 0.0329 ( 1865 PWs) bands (ev): -18.7890 -18.7890 -17.4877 -17.4877 -16.6625 -16.6625 -16.6624 -16.6624 -3.5507 -3.5507 -3.2689 -3.2689 -2.0942 -2.0942 -1.1677 -1.1677 -1.1574 -1.1574 0.2790 0.2790 0.4654 0.4654 0.4791 0.4791 0.6752 0.6752 2.1615 2.1615 2.6734 2.6734 2.6737 2.6737 9.9768 9.9768 10.6846 10.6846 10.6866 10.6866 11.4736 11.4736 k = 0.0000 0.0000 0.0439 ( 1865 PWs) bands (ev): -18.7857 -18.7857 -17.4918 -17.4918 -16.6624 -16.6624 -16.6624 -16.6624 -3.5831 -3.5831 -3.2222 -3.2222 -2.1058 -2.1058 -1.1647 -1.1647 -1.1544 -1.1544 0.2836 0.2836 0.4587 0.4587 0.4723 0.4723 0.6708 0.6708 2.1552 2.1552 2.6750 2.6750 2.6753 2.6753 9.9772 9.9772 10.6904 10.6904 10.6923 10.6923 11.4970 11.4970 k = 0.0000 0.0000 0.0549 ( 1861 PWs) bands (ev): -18.7814 -18.7814 -17.4972 -17.4972 -16.6623 -16.6623 -16.6623 -16.6623 -3.6146 -3.6146 -3.1725 -3.1725 -2.1206 -2.1206 -1.1609 -1.1609 -1.1506 -1.1506 0.2895 0.2895 0.4502 0.4502 0.4637 0.4637 0.6649 0.6649 2.1470 2.1470 2.6770 2.6770 2.6772 2.6772 9.9780 9.9780 10.6977 10.6977 10.6996 10.6996 11.5266 11.5266 k = 0.0000 0.0000 0.0659 ( 1861 PWs) bands (ev): -18.7762 -18.7762 -17.5037 -17.5037 -16.6622 -16.6622 -16.6622 -16.6622 -3.6445 -3.6445 -3.1203 -3.1203 -2.1385 -2.1385 -1.1562 -1.1562 -1.1460 -1.1460 0.2967 0.2967 0.4398 0.4398 0.4533 0.4533 0.6576 0.6576 2.1370 2.1370 2.6793 2.6793 2.6796 2.6796 9.9797 9.9797 10.7065 10.7065 10.7084 10.7084 11.5621 11.5621 k = 0.0000 0.0000 0.0769 ( 1861 PWs) bands (ev): -18.7701 -18.7701 -17.5113 -17.5113 -16.6621 -16.6621 -16.6621 -16.6621 -3.6725 -3.6725 -3.0661 -3.0661 -2.1594 -2.1594 -1.1507 -1.1507 -1.1405 -1.1405 0.3051 0.3051 0.4277 0.4277 0.4411 0.4411 0.6488 0.6488 2.1253 2.1253 2.6820 2.6820 2.6823 2.6823 9.9826 9.9826 10.7168 10.7168 10.7187 10.7187 11.6030 11.6030 k = 0.0000 0.0000 0.0879 ( 1861 PWs) bands (ev): -18.7630 -18.7630 -17.5201 -17.5201 -16.6620 -16.6620 -16.6619 -16.6619 -3.6986 -3.6986 -3.0098 -3.0098 -2.1831 -2.1831 -1.1444 -1.1444 -1.1341 -1.1341 0.3149 0.3149 0.4140 0.4140 0.4273 0.4273 0.6383 0.6383 2.1119 2.1119 2.6851 2.6851 2.6854 2.6854 9.9869 9.9869 10.7286 10.7286 10.7304 10.7304 11.6491 11.6491 k = 0.0000 0.0000 0.0988 ( 1861 PWs) bands (ev): -18.7551 -18.7551 -17.5300 -17.5300 -16.6618 -16.6618 -16.6618 -16.6618 -3.7225 -3.7225 -2.9517 -2.9517 -2.2095 -2.2095 -1.1372 -1.1372 -1.1270 -1.1270 0.3259 0.3259 0.3986 0.3986 0.4118 0.4118 0.6262 0.6262 2.0968 2.0968 2.6884 2.6884 2.6887 2.6887 9.9930 9.9930 10.7417 10.7417 10.7435 10.7435 11.6999 11.6999 k = 0.0000 0.0000 0.1098 ( 1857 PWs) bands (ev): -18.7462 -18.7462 -17.5410 -17.5410 -16.6617 -16.6617 -16.6616 -16.6616 -3.7444 -3.7444 -2.8919 -2.8919 -2.2384 -2.2384 -1.1293 -1.1293 -1.1190 -1.1190 0.3381 0.3381 0.3817 0.3817 0.3948 0.3948 0.6122 0.6122 2.0800 2.0800 2.6921 2.6921 2.6924 2.6924 10.0011 10.0011 10.7559 10.7559 10.7577 10.7577 11.7550 11.7550 k = 0.0000 0.0000 0.1208 ( 1861 PWs) bands (ev): -18.7364 -18.7364 -17.5531 -17.5531 -16.6615 -16.6615 -16.6614 -16.6614 -3.7641 -3.7641 -2.8305 -2.8305 -2.2698 -2.2698 -1.1205 -1.1205 -1.1103 -1.1103 0.3515 0.3515 0.3634 0.3634 0.3763 0.3763 0.5963 0.5963 2.0617 2.0617 2.6959 2.6959 2.6962 2.6962 10.0117 10.0117 10.7714 10.7714 10.7732 10.7732 11.8141 11.8141 k = 0.0000 0.0000 0.1318 ( 1861 PWs) bands (ev): -18.7257 -18.7257 -17.5662 -17.5662 -16.6613 -16.6613 -16.6612 -16.6612 -3.7816 -3.7816 -2.7674 -2.7674 -2.3033 -2.3033 -1.1109 -1.1109 -1.1007 -1.1007 0.3433 0.3433 0.3564 0.3564 0.3665 0.3665 0.5783 0.5783 2.0418 2.0418 2.6999 2.6999 2.7003 2.7003 10.0248 10.0248 10.7880 10.7880 10.7897 10.7897 11.8768 11.8768 k = 0.0000 0.0000 0.1428 ( 1861 PWs) bands (ev): -18.7142 -18.7142 -17.5803 -17.5803 -16.6611 -16.6611 -16.6610 -16.6610 -3.7970 -3.7970 -2.7028 -2.7028 -2.3388 -2.3388 -1.1005 -1.1005 -1.0903 -1.0903 0.3224 0.3224 0.3352 0.3352 0.3824 0.3824 0.5582 0.5582 2.0203 2.0203 2.7040 2.7040 2.7044 2.7044 10.0408 10.0408 10.8056 10.8056 10.8073 10.8073 11.9427 11.9427 k = 0.0000 0.0000 0.1538 ( 1861 PWs) bands (ev): -18.7018 -18.7018 -17.5953 -17.5953 -16.6608 -16.6608 -16.6608 -16.6608 -3.8101 -3.8101 -2.6369 -2.6369 -2.3763 -2.3763 -1.0893 -1.0893 -1.0792 -1.0792 0.3001 0.3001 0.3129 0.3129 0.3996 0.3996 0.5359 0.5359 1.9975 1.9975 2.7083 2.7083 2.7087 2.7087 10.0597 10.0597 10.8240 10.8240 10.8257 10.8257 12.0115 12.0115 k = 0.0000 0.0000 0.1647 ( 1861 PWs) bands (ev): -18.6885 -18.6885 -17.6114 -17.6114 -16.6606 -16.6606 -16.6606 -16.6606 -3.8210 -3.8210 -2.5695 -2.5695 -2.4154 -2.4154 -1.0774 -1.0774 -1.0673 -1.0673 0.2768 0.2768 0.2895 0.2895 0.4179 0.4179 0.5113 0.5113 1.9732 1.9732 2.7126 2.7126 2.7130 2.7130 10.0818 10.0818 10.8432 10.8432 10.8448 10.8448 12.0830 12.0830 k = 0.0000 0.0000 0.1757 ( 1857 PWs) bands (ev): -18.6744 -18.6744 -17.6283 -17.6283 -16.6604 -16.6604 -16.6603 -16.6603 -3.8297 -3.8297 -2.5009 -2.5009 -2.4560 -2.4560 -1.0648 -1.0648 -1.0547 -1.0547 0.2525 0.2525 0.2651 0.2651 0.4374 0.4374 0.4844 0.4844 1.9476 1.9476 2.7170 2.7170 2.7174 2.7174 10.1072 10.1072 10.8631 10.8631 10.8646 10.8646 12.1567 12.1567 k = 0.0000 0.0000 0.1867 ( 1853 PWs) bands (ev): -18.6596 -18.6596 -17.6461 -17.6461 -16.6601 -16.6601 -16.6601 -16.6601 -3.8362 -3.8362 -2.4979 -2.4979 -2.4311 -2.4311 -1.0513 -1.0513 -1.0413 -1.0413 0.2274 0.2274 0.2398 0.2398 0.4537 0.4537 0.4594 0.4594 1.9207 1.9207 2.7214 2.7214 2.7218 2.7218 10.1359 10.1359 10.8834 10.8834 10.8849 10.8849 12.2325 12.2325 k = 0.0000 0.0000 0.1977 ( 1853 PWs) bands (ev): -18.6439 -18.6439 -17.6647 -17.6647 -16.6599 -16.6599 -16.6598 -16.6598 -3.8404 -3.8404 -2.5411 -2.5411 -2.3602 -2.3602 -1.0373 -1.0373 -1.0273 -1.0273 0.2014 0.2014 0.2137 0.2137 0.4230 0.4230 0.4801 0.4801 1.8926 1.8926 2.7257 2.7257 2.7262 2.7262 10.1681 10.1681 10.9041 10.9041 10.9056 10.9056 12.3101 12.3101 k = 0.0000 0.0000 0.2087 ( 1853 PWs) bands (ev): -18.6274 -18.6274 -17.6842 -17.6842 -16.6596 -16.6596 -16.6596 -16.6596 -3.8425 -3.8425 -2.5852 -2.5852 -2.2882 -2.2882 -1.0225 -1.0225 -1.0126 -1.0126 0.1747 0.1747 0.1869 0.1869 0.3888 0.3888 0.5030 0.5030 1.8634 1.8634 2.7300 2.7300 2.7305 2.7305 10.2037 10.2037 10.9251 10.9251 10.9265 10.9265 12.3892 12.3892 k = 0.0000 0.0000 0.2197 ( 1857 PWs) bands (ev): -18.6102 -18.6102 -17.7044 -17.7044 -16.6594 -16.6594 -16.6593 -16.6593 -3.8425 -3.8425 -2.6301 -2.6301 -2.2152 -2.2152 -1.0071 -1.0071 -0.9972 -0.9972 0.1475 0.1475 0.1595 0.1595 0.3520 0.3520 0.5269 0.5269 1.8330 1.8330 2.7342 2.7342 2.7347 2.7347 10.2429 10.2429 10.9461 10.9461 10.9475 10.9475 12.4696 12.4696 k = 0.0000 0.0000 0.2306 ( 1857 PWs) bands (ev): -18.5923 -18.5923 -17.7254 -17.7254 -16.6591 -16.6591 -16.6591 -16.6591 -3.8402 -3.8402 -2.6757 -2.6757 -2.1413 -2.1413 -0.9911 -0.9911 -0.9813 -0.9813 0.1198 0.1198 0.1317 0.1317 0.3128 0.3128 0.5519 0.5519 1.8017 1.8017 2.7383 2.7383 2.7388 2.7388 10.2855 10.2855 10.9671 10.9671 10.9685 10.9685 12.5510 12.5510 k = 0.0000 0.0000 0.2416 ( 1857 PWs) bands (ev): -18.5736 -18.5736 -17.7470 -17.7470 -16.6589 -16.6589 -16.6588 -16.6588 -3.8358 -3.8358 -2.7219 -2.7219 -2.0667 -2.0667 -0.9745 -0.9745 -0.9648 -0.9648 0.0918 0.0918 0.1036 0.1036 0.2711 0.2711 0.5780 0.5780 1.7694 1.7694 2.7423 2.7423 2.7427 2.7427 10.3315 10.3315 10.9880 10.9880 10.9893 10.9893 12.6333 12.6333 k = 0.0000 0.0000 0.2526 ( 1853 PWs) bands (ev): -18.5543 -18.5543 -17.7692 -17.7692 -16.6586 -16.6586 -16.6586 -16.6586 -3.8293 -3.8293 -2.7684 -2.7684 -1.9913 -1.9913 -0.9574 -0.9574 -0.9478 -0.9478 0.0635 0.0635 0.0752 0.0752 0.2269 0.2269 0.6050 0.6050 1.7362 1.7362 2.7461 2.7461 2.7465 2.7465 10.3810 10.3810 11.0086 11.0086 11.0098 11.0098 12.7163 12.7163 k = 0.0000 0.0000 0.2636 ( 1853 PWs) bands (ev): -18.5343 -18.5343 -17.7921 -17.7921 -16.6584 -16.6584 -16.6583 -16.6583 -3.8207 -3.8207 -2.8151 -2.8151 -1.9152 -1.9152 -0.9398 -0.9398 -0.9303 -0.9303 0.0351 0.0351 0.0466 0.0466 0.1804 0.1804 0.6330 0.6330 1.7022 1.7022 2.7497 2.7497 2.7502 2.7502 10.4337 10.4337 11.0287 11.0287 11.0299 11.0299 12.7996 12.7996 k = 0.0000 0.0000 0.2746 ( 1853 PWs) bands (ev): -18.5136 -18.5136 -17.8155 -17.8155 -16.6581 -16.6581 -16.6581 -16.6581 -3.8101 -3.8101 -2.8620 -2.8620 -1.8386 -1.8386 -0.9218 -0.9218 -0.9124 -0.9124 0.0066 0.0066 0.0181 0.0181 0.1314 0.1314 0.6619 0.6619 1.6675 1.6675 2.7532 2.7532 2.7536 2.7536 10.4896 10.4896 11.0483 11.0483 11.0494 11.0494 12.7591 12.7591 k = 0.0000 0.0000 0.2856 ( 1853 PWs) bands (ev): -18.4924 -18.4924 -17.8394 -17.8394 -16.6579 -16.6579 -16.6579 -16.6579 -3.7974 -3.7974 -2.9088 -2.9088 -1.7615 -1.7615 -0.9035 -0.9035 -0.8942 -0.8942 -0.0217 -0.0217 -0.0103 -0.0103 0.0803 0.0803 0.6917 0.6917 1.6321 1.6321 2.7565 2.7565 2.7569 2.7569 10.5486 10.5486 11.0672 11.0672 11.0682 11.0682 12.6757 12.6757 k = 0.0000 0.0000 0.2965 ( 1861 PWs) bands (ev): -18.4706 -18.4706 -17.8638 -17.8638 -16.6577 -16.6577 -16.6577 -16.6577 -3.7826 -3.7826 -2.9555 -2.9555 -1.6841 -1.6841 -0.8849 -0.8849 -0.8759 -0.8759 -0.0499 -0.0499 -0.0384 -0.0384 0.0271 0.0271 0.7224 0.7224 1.5961 1.5961 2.7596 2.7596 2.7600 2.7600 10.6107 10.6107 11.0852 11.0852 11.0862 11.0862 12.5908 12.5908 k = 0.0000 0.0000 0.3075 ( 1861 PWs) bands (ev): -18.4482 -18.4482 -17.8886 -17.8886 -16.6575 -16.6575 -16.6575 -16.6575 -3.7660 -3.7660 -3.0019 -3.0019 -1.6064 -1.6064 -0.8662 -0.8662 -0.8574 -0.8574 -0.0781 -0.0781 -0.0661 -0.0661 -0.0279 -0.0279 0.7539 0.7539 1.5596 1.5596 2.7624 2.7624 2.7628 2.7628 10.6756 10.6756 11.1023 11.1023 11.1032 11.1032 12.5049 12.5049 k = 0.0000 0.0000 0.3185 ( 1861 PWs) bands (ev): -18.4253 -18.4253 -17.9137 -17.9137 -16.6573 -16.6573 -16.6573 -16.6573 -3.7473 -3.7473 -3.0479 -3.0479 -1.5284 -1.5284 -0.8475 -0.8475 -0.8389 -0.8389 -0.1078 -0.1078 -0.0932 -0.0932 -0.0828 -0.0828 0.7862 0.7862 1.5226 1.5226 2.7650 2.7650 2.7654 2.7654 10.7432 10.7432 11.1183 11.1183 11.1192 11.1192 12.4182 12.4182 k = 0.0000 0.0000 0.3295 ( 1857 PWs) bands (ev): -18.4019 -18.4019 -17.9391 -17.9391 -16.6572 -16.6572 -16.6571 -16.6571 -3.7268 -3.7268 -3.0934 -3.0934 -1.4504 -1.4504 -0.8289 -0.8289 -0.8207 -0.8207 -0.1521 -0.1521 -0.1241 -0.1241 -0.1194 -0.1194 0.8192 0.8192 1.4852 1.4852 2.7675 2.7675 2.7678 2.7678 10.8134 10.8134 11.1332 11.1332 11.1340 11.1340 12.3306 12.3306 k = 0.0000 0.0000 0.3405 ( 1873 PWs) bands (ev): -18.3781 -18.3781 -17.9649 -17.9649 -16.6570 -16.6570 -16.6570 -16.6570 -3.7044 -3.7044 -3.1383 -3.1383 -1.3725 -1.3725 -0.8107 -0.8107 -0.8030 -0.8030 -0.2114 -0.2114 -0.1514 -0.1514 -0.1446 -0.1446 0.8529 0.8529 1.4475 1.4475 2.7696 2.7696 2.7699 2.7699 10.8860 10.8860 11.1468 11.1468 11.1476 11.1476 12.2424 12.2424 k = 0.0000 0.0000 0.3515 ( 1873 PWs) bands (ev): -18.3538 -18.3538 -17.9908 -17.9908 -16.6569 -16.6569 -16.6568 -16.6568 -3.6802 -3.6802 -3.1825 -3.1825 -1.2946 -1.2946 -0.7931 -0.7931 -0.7859 -0.7859 -0.2743 -0.2743 -0.1754 -0.1754 -0.1684 -0.1684 0.8873 0.8873 1.4096 1.4096 2.7715 2.7715 2.7718 2.7718 10.9608 10.9608 11.1590 11.1590 11.1598 11.1598 12.1538 12.1538 k = 0.0000 0.0000 0.3624 ( 1873 PWs) bands (ev): -18.3292 -18.3292 -18.0170 -18.0170 -16.6567 -16.6567 -16.6567 -16.6567 -3.6543 -3.6543 -3.2258 -3.2258 -1.2169 -1.2169 -0.7764 -0.7764 -0.7698 -0.7698 -0.3393 -0.3393 -0.1972 -0.1972 -0.1906 -0.1906 0.9223 0.9223 1.3715 1.3715 2.7731 2.7731 2.7734 2.7734 11.0378 11.0378 11.1698 11.1698 11.1706 11.1706 12.0649 12.0649 k = 0.0000 0.0000 0.3734 ( 1873 PWs) bands (ev): -18.3042 -18.3042 -18.0432 -18.0432 -16.6566 -16.6566 -16.6566 -16.6566 -3.6266 -3.6266 -3.2683 -3.2683 -1.1395 -1.1395 -0.7610 -0.7610 -0.7552 -0.7552 -0.4060 -0.4060 -0.2166 -0.2166 -0.2107 -0.2107 0.9579 0.9579 1.3332 1.3332 2.7746 2.7746 2.7748 2.7748 11.1165 11.1165 11.1791 11.1791 11.1800 11.1800 11.9759 11.9759 k = 0.0000 0.0000 0.3844 ( 1873 PWs) bands (ev): -18.2789 -18.2789 -18.0696 -18.0696 -16.6565 -16.6565 -16.6565 -16.6565 -3.5973 -3.5973 -3.3098 -3.3098 -1.0625 -1.0625 -0.7472 -0.7472 -0.7423 -0.7423 -0.4743 -0.4743 -0.2334 -0.2334 -0.2283 -0.2283 0.9940 0.9940 1.2949 1.2949 2.7757 2.7757 2.7759 2.7759 11.1846 11.1846 11.1867 11.1867 11.2002 11.2002 11.8869 11.8869 k = 0.0000 0.0000 0.3954 ( 1873 PWs) bands (ev): -18.2533 -18.2533 -18.0960 -18.0960 -16.6565 -16.6565 -16.6564 -16.6564 -3.5663 -3.5663 -3.3503 -3.3503 -0.9861 -0.9861 -0.7356 -0.7356 -0.7319 -0.7319 -0.5440 -0.5440 -0.2469 -0.2469 -0.2429 -0.2429 1.0305 1.0305 1.2566 1.2566 2.7766 2.7766 2.7767 2.7767 11.1927 11.1927 11.1928 11.1928 11.2804 11.2804 11.7982 11.7982 k = 0.0000 0.0000 0.4064 ( 1872 PWs) bands (ev): -18.2274 -18.2274 -18.1225 -18.1225 -16.6564 -16.6564 -16.6564 -16.6564 -3.5338 -3.5338 -3.3896 -3.3896 -0.9103 -0.9103 -0.7266 -0.7266 -0.7243 -0.7243 -0.6149 -0.6149 -0.2569 -0.2569 -0.2540 -0.2540 1.0675 1.0675 1.2184 1.2184 2.7773 2.7773 2.7774 2.7774 11.1971 11.1971 11.1971 11.1971 11.3640 11.3640 11.7099 11.7099 k = 0.0000 0.0000 0.4174 ( 1872 PWs) bands (ev): -18.2014 -18.2014 -18.1489 -18.1489 -16.6564 -16.6564 -16.6564 -16.6564 -3.4998 -3.4998 -3.4276 -3.4276 -0.8353 -0.8353 -0.7206 -0.7206 -0.7205 -0.7205 -0.6864 -0.6864 -0.2627 -0.2627 -0.2612 -0.2612 1.1048 1.1048 1.1804 1.1804 2.7777 2.7777 2.7777 2.7777 11.1997 11.1997 11.1998 11.1998 11.4490 11.4490 11.6221 11.6221 k = 0.0000 0.0000 0.4283 ( 1872 PWs) bands (ev): -18.1752 -18.1752 -18.1752 -18.1752 -16.6564 -16.6564 -16.6564 -16.6564 -3.4644 -3.4644 -3.4644 -3.4644 -0.7615 -0.7615 -0.7615 -0.7615 -0.7176 -0.7176 -0.7176 -0.7176 -0.2642 -0.2642 -0.2641 -0.2641 1.1425 1.1425 1.1425 1.1425 2.7778 2.7778 2.7778 2.7778 11.2006 11.2006 11.2006 11.2006 11.5350 11.5350 11.5352 11.5352 k = 0.0000 0.0000 0.4283 ( 1872 PWs) bands (ev): -18.1752 -18.1752 -18.1752 -18.1752 -16.6564 -16.6564 -16.6564 -16.6564 -3.4644 -3.4644 -3.4644 -3.4644 -0.7615 -0.7615 -0.7615 -0.7615 -0.7176 -0.7176 -0.7176 -0.7176 -0.2642 -0.2642 -0.2641 -0.2641 1.1425 1.1425 1.1425 1.1425 2.7778 2.7778 2.7778 2.7778 11.2006 11.2006 11.2006 11.2006 11.5350 11.5350 11.5352 11.5352 k = 0.0000 0.0111 0.4283 ( 1872 PWs) bands (ev): -18.1749 -18.1749 -18.1749 -18.1749 -16.6566 -16.6566 -16.6566 -16.6566 -3.4646 -3.4646 -3.4646 -3.4646 -0.7802 -0.7802 -0.7738 -0.7738 -0.7066 -0.7066 -0.6994 -0.6994 -0.2663 -0.2663 -0.2660 -0.2660 1.1459 1.1459 1.1460 1.1460 2.7770 2.7770 2.7771 2.7771 11.2003 11.2003 11.2010 11.2010 11.5361 11.5361 11.5365 11.5365 k = 0.0000 0.0222 0.4283 ( 1872 PWs) bands (ev): -18.1740 -18.1740 -18.1740 -18.1740 -16.6575 -16.6575 -16.6574 -16.6574 -3.4652 -3.4652 -3.4650 -3.4650 -0.8086 -0.8086 -0.8015 -0.8015 -0.6818 -0.6818 -0.6732 -0.6732 -0.2723 -0.2723 -0.2717 -0.2717 1.1562 1.1562 1.1565 1.1565 2.7747 2.7747 2.7749 2.7749 11.2001 11.2001 11.2014 11.2014 11.5396 11.5396 11.5404 11.5404 k = 0.0000 0.0333 0.4283 ( 1868 PWs) bands (ev): -18.1725 -18.1725 -18.1724 -18.1724 -16.6588 -16.6588 -16.6588 -16.6588 -3.4661 -3.4661 -3.4659 -3.4659 -0.8396 -0.8396 -0.8326 -0.8326 -0.6554 -0.6554 -0.6461 -0.6461 -0.2820 -0.2820 -0.2809 -0.2809 1.1730 1.1730 1.1735 1.1735 2.7709 2.7709 2.7711 2.7711 11.2000 11.2000 11.2019 11.2019 11.5455 11.5455 11.5466 11.5466 k = 0.0000 0.0444 0.4283 ( 1868 PWs) bands (ev): -18.1704 -18.1704 -18.1703 -18.1703 -16.6607 -16.6607 -16.6607 -16.6607 -3.4674 -3.4674 -3.4670 -3.4670 -0.8720 -0.8720 -0.8653 -0.8653 -0.6292 -0.6292 -0.6193 -0.6193 -0.2947 -0.2947 -0.2933 -0.2933 1.1960 1.1960 1.1965 1.1965 2.7656 2.7656 2.7660 2.7660 11.2000 11.2000 11.2025 11.2025 11.5537 11.5537 11.5552 11.5552 k = 0.0000 0.0556 0.4283 ( 1868 PWs) bands (ev): -18.1676 -18.1676 -18.1676 -18.1676 -16.6631 -16.6631 -16.6631 -16.6631 -3.4690 -3.4690 -3.4686 -3.4686 -0.9057 -0.9057 -0.8993 -0.8993 -0.6034 -0.6034 -0.5931 -0.5931 -0.3101 -0.3101 -0.3082 -0.3082 1.2243 1.2243 1.2249 1.2249 2.7590 2.7590 2.7595 2.7595 11.2001 11.2001 11.2032 11.2032 11.5642 11.5642 11.5660 11.5660 k = 0.0000 0.0667 0.4283 ( 1860 PWs) bands (ev): -18.1643 -18.1643 -18.1643 -18.1643 -16.6661 -16.6661 -16.6660 -16.6660 -3.4710 -3.4710 -3.4704 -3.4704 -0.9404 -0.9404 -0.9344 -0.9344 -0.5784 -0.5784 -0.5675 -0.5675 -0.3274 -0.3274 -0.3249 -0.3249 1.2574 1.2574 1.2580 1.2580 2.7512 2.7512 2.7518 2.7518 11.2005 11.2005 11.2042 11.2042 11.5770 11.5770 11.5791 11.5791 k = 0.0000 0.0778 0.4283 ( 1862 PWs) bands (ev): -18.1604 -18.1604 -18.1604 -18.1604 -16.6695 -16.6695 -16.6695 -16.6695 -3.4733 -3.4733 -3.4727 -3.4727 -0.9761 -0.9761 -0.9705 -0.9705 -0.5543 -0.5543 -0.5429 -0.5429 -0.3458 -0.3458 -0.3426 -0.3426 1.2944 1.2944 1.2950 1.2950 2.7422 2.7422 2.7431 2.7431 11.2011 11.2011 11.2053 11.2053 11.5918 11.5918 11.5942 11.5942 k = 0.0000 0.0889 0.4283 ( 1862 PWs) bands (ev): -18.1560 -18.1560 -18.1559 -18.1559 -16.6735 -16.6735 -16.6735 -16.6735 -3.4760 -3.4760 -3.4753 -3.4753 -1.0127 -1.0127 -1.0075 -1.0075 -0.5317 -0.5317 -0.5195 -0.5195 -0.3644 -0.3644 -0.3604 -0.3604 1.3347 1.3347 1.3351 1.3351 2.7323 2.7323 2.7334 2.7334 11.2020 11.2020 11.2067 11.2067 11.6087 11.6087 11.6113 11.6113 k = 0.0000 0.1000 0.4283 ( 1862 PWs) bands (ev): -18.1510 -18.1510 -18.1509 -18.1509 -16.6780 -16.6780 -16.6780 -16.6780 -3.4790 -3.4790 -3.4782 -3.4782 -1.0502 -1.0502 -1.0454 -1.0454 -0.5113 -0.5113 -0.4983 -0.4983 -0.3817 -0.3817 -0.3768 -0.3768 1.3772 1.3772 1.3775 1.3775 2.7217 2.7217 2.7231 2.7231 11.2032 11.2032 11.2084 11.2084 11.6274 11.6274 11.6303 11.6303 k = 0.0000 0.1111 0.4283 ( 1862 PWs) bands (ev): -18.1454 -18.1454 -18.1454 -18.1454 -16.6830 -16.6830 -16.6830 -16.6830 -3.4824 -3.4824 -3.4815 -3.4815 -1.0885 -1.0885 -1.0840 -1.0840 -0.4954 -0.4954 -0.4819 -0.4819 -0.3949 -0.3949 -0.3893 -0.3893 1.4214 1.4214 1.4214 1.4214 2.7106 2.7106 2.7123 2.7123 11.2048 11.2048 11.2104 11.2104 11.6480 11.6480 11.6511 11.6511 k = 0.0000 0.1222 0.4283 ( 1866 PWs) bands (ev): -18.1393 -18.1393 -18.1393 -18.1393 -16.6885 -16.6885 -16.6885 -16.6885 -3.4861 -3.4861 -3.4851 -3.4851 -1.1273 -1.1273 -1.1233 -1.1233 -0.4874 -0.4874 -0.4754 -0.4754 -0.3982 -0.3982 -0.3940 -0.3940 1.4662 1.4662 1.4665 1.4665 2.6994 2.6994 2.7015 2.7015 11.2067 11.2067 11.2127 11.2127 11.6702 11.6702 11.6736 11.6736 k = 0.0000 0.1333 0.4283 ( 1866 PWs) bands (ev): -18.1327 -18.1327 -18.1327 -18.1327 -16.6944 -16.6944 -16.6944 -16.6944 -3.4901 -3.4901 -3.4891 -3.4891 -1.1667 -1.1667 -1.1629 -1.1629 -0.4901 -0.4901 -0.4816 -0.4816 -0.3887 -0.3887 -0.3878 -0.3878 1.5109 1.5109 1.5116 1.5116 2.6883 2.6883 2.6909 2.6909 11.2091 11.2091 11.2155 11.2155 11.6941 11.6941 11.6977 11.6977 k = 0.0000 0.1444 0.4283 ( 1862 PWs) bands (ev): -18.1256 -18.1256 -18.1256 -18.1256 -16.7008 -16.7008 -16.7008 -16.7008 -3.4945 -3.4945 -3.4934 -3.4934 -1.2064 -1.2064 -1.2029 -1.2029 -0.5007 -0.5007 -0.4952 -0.4952 -0.3733 -0.3733 -0.3714 -0.3714 1.5548 1.5548 1.5561 1.5561 2.6778 2.6778 2.6809 2.6809 11.2119 11.2119 11.2186 11.2186 11.7194 11.7194 11.7232 11.7232 k = 0.0000 0.1556 0.4283 ( 1870 PWs) bands (ev): -18.1181 -18.1181 -18.1180 -18.1180 -16.7077 -16.7077 -16.7077 -16.7077 -3.4992 -3.4992 -3.4981 -3.4981 -1.2463 -1.2463 -1.2431 -1.2431 -0.5150 -0.5150 -0.5115 -0.5115 -0.3545 -0.3545 -0.3507 -0.3507 1.5971 1.5971 1.5990 1.5990 2.6684 2.6684 2.6721 2.6721 11.2150 11.2150 11.2222 11.2222 11.7460 11.7460 11.7500 11.7500 k = 0.0000 0.1667 0.4283 ( 1874 PWs) bands (ev): -18.1100 -18.1100 -18.1100 -18.1100 -16.7149 -16.7149 -16.7149 -16.7149 -3.5042 -3.5042 -3.5030 -3.5030 -1.2862 -1.2862 -1.2833 -1.2833 -0.5307 -0.5307 -0.5284 -0.5284 -0.3336 -0.3336 -0.3288 -0.3288 1.6370 1.6370 1.6397 1.6397 2.6606 2.6606 2.6650 2.6650 11.2186 11.2186 11.2261 11.2261 11.7739 11.7739 11.7780 11.7780 k = 0.0000 0.1778 0.4283 ( 1870 PWs) bands (ev): -18.1016 -18.1016 -18.1015 -18.1015 -16.7226 -16.7226 -16.7226 -16.7226 -3.5095 -3.5095 -3.5083 -3.5083 -1.3260 -1.3260 -1.3233 -1.3233 -0.5465 -0.5465 -0.5450 -0.5450 -0.3118 -0.3118 -0.3062 -0.3062 1.6738 1.6738 1.6772 1.6772 2.6549 2.6549 2.6602 2.6602 11.2227 11.2227 11.2305 11.2305 11.8028 11.8028 11.8072 11.8072 k = 0.0000 0.1889 0.4283 ( 1870 PWs) bands (ev): -18.0927 -18.0927 -18.0926 -18.0926 -16.7306 -16.7306 -16.7306 -16.7306 -3.5151 -3.5151 -3.5138 -3.5138 -1.3655 -1.3655 -1.3631 -1.3631 -0.5619 -0.5619 -0.5610 -0.5610 -0.2894 -0.2894 -0.2833 -0.2833 1.7066 1.7066 1.7109 1.7109 2.6520 2.6520 2.6581 2.6581 11.2272 11.2272 11.2353 11.2353 11.8327 11.8327 11.8373 11.8373 k = 0.0000 0.2000 0.4283 ( 1870 PWs) bands (ev): -18.0835 -18.0835 -18.0834 -18.0834 -16.7390 -16.7390 -16.7389 -16.7389 -3.5210 -3.5210 -3.5196 -3.5196 -1.4046 -1.4046 -1.4023 -1.4023 -0.5767 -0.5767 -0.5763 -0.5763 -0.2667 -0.2667 -0.2603 -0.2603 1.7347 1.7347 1.7400 1.7400 2.6524 2.6524 2.6595 2.6595 11.2320 11.2320 11.2404 11.2404 11.8636 11.8636 11.8683 11.8683 k = 0.0000 0.2111 0.4283 ( 1874 PWs) bands (ev): -18.0739 -18.0739 -18.0738 -18.0738 -16.7477 -16.7477 -16.7477 -16.7477 -3.5271 -3.5271 -3.5257 -3.5257 -1.4431 -1.4431 -1.4410 -1.4410 -0.5907 -0.5907 -0.5906 -0.5906 -0.2438 -0.2438 -0.2372 -0.2372 1.7574 1.7574 1.7637 1.7637 2.6566 2.6566 2.6646 2.6646 11.2372 11.2372 11.2459 11.2459 11.8951 11.8951 11.9000 11.9000 k = 0.0000 0.2222 0.4283 ( 1874 PWs) bands (ev): -18.0640 -18.0640 -18.0639 -18.0639 -16.7567 -16.7567 -16.7567 -16.7567 -3.5334 -3.5334 -3.5320 -3.5320 -1.4809 -1.4809 -1.4789 -1.4789 -0.6040 -0.6040 -0.6038 -0.6038 -0.2209 -0.2209 -0.2141 -0.2141 1.7745 1.7745 1.7818 1.7818 2.6650 2.6650 2.6739 2.6739 11.2428 11.2428 11.2518 11.2518 11.9271 11.9271 11.9323 11.9323 k = 0.0000 0.2333 0.4283 ( 1870 PWs) bands (ev): -18.0539 -18.0539 -18.0538 -18.0538 -16.7659 -16.7659 -16.7659 -16.7659 -3.5399 -3.5399 -3.5385 -3.5385 -1.5179 -1.5179 -1.5160 -1.5160 -0.6164 -0.6164 -0.6160 -0.6160 -0.1979 -0.1979 -0.1910 -0.1910 1.7857 1.7857 1.7939 1.7939 2.6777 2.6777 2.6875 2.6875 11.2488 11.2488 11.2580 11.2580 11.9597 11.9597 11.9651 11.9651 k = 0.0000 0.2444 0.4283 ( 1864 PWs) bands (ev): -18.0435 -18.0435 -18.0434 -18.0434 -16.7754 -16.7754 -16.7754 -16.7754 -3.5466 -3.5466 -3.5451 -3.5451 -1.5539 -1.5539 -1.5521 -1.5521 -0.6278 -0.6278 -0.6273 -0.6273 -0.1748 -0.1748 -0.1680 -0.1680 1.7910 1.7910 1.8001 1.8001 2.6945 2.6945 2.7052 2.7052 11.2550 11.2550 11.2645 11.2645 11.9925 11.9925 11.9981 11.9981 k = 0.0000 0.2556 0.4283 ( 1864 PWs) bands (ev): -18.0329 -18.0329 -18.0328 -18.0328 -16.7851 -16.7851 -16.7851 -16.7851 -3.5534 -3.5534 -3.5519 -3.5519 -1.5889 -1.5889 -1.5872 -1.5872 -0.6383 -0.6383 -0.6377 -0.6377 -0.1518 -0.1518 -0.1450 -0.1450 1.7907 1.7907 1.8007 1.8007 2.7153 2.7153 2.7266 2.7266 11.2615 11.2615 11.2713 11.2713 12.0256 12.0256 12.0314 12.0314 k = 0.0000 0.2667 0.4283 ( 1864 PWs) bands (ev): -18.0222 -18.0222 -18.0221 -18.0221 -16.7949 -16.7949 -16.7949 -16.7949 -3.5603 -3.5603 -3.5588 -3.5588 -1.6227 -1.6227 -1.6211 -1.6211 -0.6479 -0.6479 -0.6472 -0.6472 -0.1289 -0.1289 -0.1221 -0.1221 1.7854 1.7854 1.7960 1.7960 2.7393 2.7393 2.7513 2.7513 11.2683 11.2683 11.2782 11.2782 12.0587 12.0587 12.0647 12.0647 k = 0.0000 0.2778 0.4283 ( 1864 PWs) bands (ev): -18.0113 -18.0113 -18.0112 -18.0112 -16.8049 -16.8049 -16.8049 -16.8049 -3.5673 -3.5673 -3.5657 -3.5657 -1.6554 -1.6554 -1.6538 -1.6538 -0.6566 -0.6566 -0.6558 -0.6558 -0.1060 -0.1060 -0.0993 -0.0993 1.7755 1.7755 1.7868 1.7868 2.7662 2.7662 2.7786 2.7786 11.2752 11.2752 11.2854 11.2854 12.0917 12.0917 12.0979 12.0979 k = 0.0000 0.2889 0.4283 ( 1864 PWs) bands (ev): -18.0004 -18.0004 -18.0003 -18.0003 -16.8149 -16.8149 -16.8149 -16.8149 -3.5743 -3.5743 -3.5727 -3.5727 -1.6868 -1.6868 -1.6852 -1.6852 -0.6645 -0.6645 -0.6637 -0.6637 -0.0833 -0.0833 -0.0766 -0.0766 1.7618 1.7618 1.7735 1.7735 2.7951 2.7951 2.8078 2.8078 11.2823 11.2823 11.2927 11.2927 12.1244 12.1244 12.1308 12.1308 k = 0.0000 0.3000 0.4283 ( 1860 PWs) bands (ev): -17.9895 -17.9895 -17.9894 -17.9894 -16.8250 -16.8250 -16.8249 -16.8249 -3.5813 -3.5813 -3.5797 -3.5797 -1.7168 -1.7168 -1.7152 -1.7152 -0.6716 -0.6716 -0.6707 -0.6707 -0.0607 -0.0607 -0.0541 -0.0541 1.7449 1.7449 1.7571 1.7571 2.8254 2.8254 2.8385 2.8385 11.2895 11.2895 11.3001 11.3001 12.1568 12.1568 12.1634 12.1634 k = 0.0000 0.3111 0.4283 ( 1856 PWs) bands (ev): -17.9787 -17.9787 -17.9785 -17.9785 -16.8350 -16.8350 -16.8350 -16.8350 -3.5882 -3.5882 -3.5866 -3.5866 -1.7454 -1.7454 -1.7439 -1.7439 -0.6779 -0.6779 -0.6770 -0.6770 -0.0383 -0.0383 -0.0318 -0.0318 1.7254 1.7254 1.7379 1.7379 2.8566 2.8566 2.8699 2.8699 11.2967 11.2967 11.3075 11.3075 12.1885 12.1885 12.1954 12.1954 k = 0.0000 0.3222 0.4283 ( 1852 PWs) bands (ev): -17.9679 -17.9679 -17.9678 -17.9678 -16.8449 -16.8449 -16.8449 -16.8449 -3.5950 -3.5950 -3.5934 -3.5934 -1.7726 -1.7726 -1.7711 -1.7711 -0.6835 -0.6835 -0.6826 -0.6826 -0.0161 -0.0161 -0.0099 -0.0099 1.7039 1.7039 1.7168 1.7168 2.8880 2.8880 2.9015 2.9015 11.3039 11.3039 11.3149 11.3149 12.2196 12.2196 12.2267 12.2267 k = 0.0000 0.3333 0.4283 ( 1852 PWs) bands (ev): -17.9573 -17.9573 -17.9572 -17.9572 -16.8547 -16.8547 -16.8547 -16.8547 -3.6016 -3.6016 -3.6000 -3.6000 -1.7983 -1.7983 -1.7967 -1.7967 -0.6885 -0.6885 -0.6876 -0.6876 0.0057 0.0057 0.0118 0.0118 1.6809 1.6809 1.6941 1.6941 2.9192 2.9192 2.9329 2.9329 11.3110 11.3110 11.3222 11.3222 12.2499 12.2499 12.2571 12.2571 k = 0.0000 0.3444 0.4283 ( 1856 PWs) bands (ev): -17.9470 -17.9470 -17.9468 -17.9468 -16.8644 -16.8644 -16.8643 -16.8643 -3.6081 -3.6081 -3.6065 -3.6065 -1.8225 -1.8225 -1.8209 -1.8209 -0.6928 -0.6928 -0.6920 -0.6920 0.0271 0.0271 0.0330 0.0330 1.6569 1.6569 1.6704 1.6704 2.9498 2.9498 2.9636 2.9636 11.3180 11.3180 11.3293 11.3293 12.2791 12.2791 12.2865 12.2865 k = 0.0000 0.3556 0.4283 ( 1860 PWs) bands (ev): -17.9369 -17.9369 -17.9368 -17.9368 -16.8737 -16.8737 -16.8737 -16.8737 -3.6143 -3.6143 -3.6127 -3.6127 -1.8451 -1.8451 -1.8435 -1.8435 -0.6966 -0.6966 -0.6958 -0.6958 0.0480 0.0480 0.0537 0.0537 1.6324 1.6324 1.6461 1.6461 2.9795 2.9795 2.9933 2.9933 11.3248 11.3248 11.3363 11.3363 12.3071 12.3071 12.3148 12.3148 k = 0.0000 0.3667 0.4283 ( 1852 PWs) bands (ev): -17.9272 -17.9272 -17.9270 -17.9270 -16.8828 -16.8828 -16.8827 -16.8827 -3.6203 -3.6203 -3.6187 -3.6187 -1.8661 -1.8661 -1.8645 -1.8645 -0.6999 -0.6999 -0.6991 -0.6991 0.0683 0.0683 0.0738 0.0738 1.6078 1.6078 1.6218 1.6218 3.0078 3.0078 3.0218 3.0218 11.3315 11.3315 11.3431 11.3431 12.3339 12.3339 12.3417 12.3417 k = 0.0000 0.3778 0.4283 ( 1856 PWs) bands (ev): -17.9179 -17.9179 -17.9178 -17.9178 -16.8914 -16.8914 -16.8914 -16.8914 -3.6259 -3.6259 -3.6244 -3.6244 -1.8855 -1.8855 -1.8839 -1.8839 -0.7027 -0.7027 -0.7020 -0.7020 0.0878 0.0878 0.0932 0.0932 1.5834 1.5834 1.5977 1.5977 3.0347 3.0347 3.0487 3.0487 11.3378 11.3378 11.3495 11.3495 12.3592 12.3592 12.3671 12.3671 k = 0.0000 0.3889 0.4283 ( 1856 PWs) bands (ev): -17.9091 -17.9091 -17.9090 -17.9090 -16.8996 -16.8996 -16.8996 -16.8996 -3.6313 -3.6313 -3.6297 -3.6297 -1.9033 -1.9033 -1.9016 -1.9016 -0.7051 -0.7051 -0.7044 -0.7044 0.1065 0.1065 0.1117 0.1117 1.5597 1.5597 1.5742 1.5742 3.0597 3.0597 3.0738 3.0738 11.3437 11.3437 11.3555 11.3555 12.3828 12.3828 12.3909 12.3909 k = 0.0000 0.4000 0.4283 ( 1858 PWs) bands (ev): -17.9009 -17.9009 -17.9008 -17.9008 -16.9073 -16.9073 -16.9073 -16.9073 -3.6362 -3.6362 -3.6346 -3.6346 -1.9194 -1.9194 -1.9177 -1.9177 -0.7071 -0.7071 -0.7065 -0.7065 0.1242 0.1242 0.1291 0.1291 1.5369 1.5369 1.5516 1.5516 3.0829 3.0829 3.0970 3.0970 11.3493 11.3493 11.3612 11.3612 12.4047 12.4047 12.4130 12.4130 k = 0.0000 0.4111 0.4283 ( 1858 PWs) bands (ev): -17.8934 -17.8934 -17.8932 -17.8932 -16.9144 -16.9144 -16.9144 -16.9144 -3.6407 -3.6407 -3.6391 -3.6391 -1.9339 -1.9339 -1.9322 -1.9322 -0.7088 -0.7088 -0.7082 -0.7082 0.1407 0.1407 0.1454 0.1454 1.5154 1.5154 1.5304 1.5304 3.1039 3.1039 3.1181 3.1181 11.3544 11.3544 11.3664 11.3664 12.4247 12.4247 12.4331 12.4331 k = 0.0000 0.4222 0.4283 ( 1858 PWs) bands (ev): -17.8865 -17.8865 -17.8863 -17.8863 -16.9209 -16.9209 -16.9208 -16.9208 -3.6447 -3.6447 -3.6432 -3.6432 -1.9467 -1.9467 -1.9450 -1.9450 -0.7102 -0.7102 -0.7096 -0.7096 0.1559 0.1559 0.1603 0.1603 1.4955 1.4955 1.5107 1.5107 3.1228 3.1228 3.1370 3.1370 11.3590 11.3590 11.3711 11.3711 12.4427 12.4427 12.4512 12.4512 k = 0.0000 0.4333 0.4283 ( 1858 PWs) bands (ev): -17.8804 -17.8804 -17.8802 -17.8802 -16.9266 -16.9266 -16.9265 -16.9265 -3.6483 -3.6483 -3.6467 -3.6467 -1.9578 -1.9578 -1.9561 -1.9561 -0.7113 -0.7113 -0.7108 -0.7108 0.1695 0.1695 0.1738 0.1738 1.4776 1.4776 1.4930 1.4930 3.1393 3.1393 3.1535 3.1535 11.3631 11.3631 11.3753 11.3753 12.4585 12.4585 12.4671 12.4671 k = 0.0000 0.4444 0.4283 ( 1862 PWs) bands (ev): -17.8751 -17.8751 -17.8749 -17.8749 -16.9315 -16.9315 -16.9315 -16.9315 -3.6513 -3.6513 -3.6498 -3.6498 -1.9672 -1.9672 -1.9654 -1.9654 -0.7122 -0.7122 -0.7117 -0.7117 0.1814 0.1814 0.1855 0.1855 1.4618 1.4618 1.4774 1.4774 3.1534 3.1534 3.1677 3.1677 11.3666 11.3666 11.3789 11.3789 12.4721 12.4721 12.4808 12.4808 k = 0.0000 0.4556 0.4283 ( 1862 PWs) bands (ev): -17.8707 -17.8707 -17.8705 -17.8705 -16.9357 -16.9357 -16.9356 -16.9356 -3.6539 -3.6539 -3.6523 -3.6523 -1.9749 -1.9749 -1.9731 -1.9731 -0.7129 -0.7129 -0.7124 -0.7124 0.1915 0.1915 0.1954 0.1954 1.4486 1.4486 1.4643 1.4643 3.1651 3.1651 3.1793 3.1793 11.3695 11.3695 11.3819 11.3819 12.4833 12.4833 12.4921 12.4921 k = 0.0000 0.4667 0.4283 ( 1866 PWs) bands (ev): -17.8673 -17.8673 -17.8671 -17.8671 -16.9389 -16.9389 -16.9389 -16.9389 -3.6559 -3.6559 -3.6543 -3.6543 -1.9809 -1.9809 -1.9791 -1.9791 -0.7134 -0.7134 -0.7129 -0.7129 0.1995 0.1995 0.2032 0.2032 1.4380 1.4380 1.4538 1.4538 3.1742 3.1742 3.1885 3.1885 11.3718 11.3718 11.3842 11.3842 12.4921 12.4921 12.5010 12.5010 k = 0.0000 0.4778 0.4283 ( 1866 PWs) bands (ev): -17.8648 -17.8648 -17.8646 -17.8646 -16.9413 -16.9413 -16.9412 -16.9412 -3.6573 -3.6573 -3.6558 -3.6558 -1.9852 -1.9852 -1.9834 -1.9834 -0.7138 -0.7138 -0.7133 -0.7133 0.2053 0.2053 0.2090 0.2090 1.4302 1.4302 1.4462 1.4462 3.1807 3.1807 3.1950 3.1950 11.3735 11.3735 11.3859 11.3859 12.4985 12.4985 12.5074 12.5074 k = 0.0000 0.4889 0.4283 ( 1866 PWs) bands (ev): -17.8632 -17.8632 -17.8631 -17.8631 -16.9427 -16.9427 -16.9426 -16.9426 -3.6581 -3.6581 -3.6566 -3.6566 -1.9878 -1.9878 -1.9860 -1.9860 -0.7140 -0.7140 -0.7135 -0.7135 0.2088 0.2088 0.2124 0.2124 1.4256 1.4256 1.4416 1.4416 3.1847 3.1847 3.1989 3.1989 11.3745 11.3745 11.3869 11.3869 12.5023 12.5023 12.5112 12.5112 k = 0.0000 0.5000 0.4283 ( 1872 PWs) bands (ev): -17.8627 -17.8627 -17.8626 -17.8626 -16.9432 -16.9432 -16.9431 -16.9431 -3.6584 -3.6584 -3.6569 -3.6569 -1.9887 -1.9887 -1.9869 -1.9869 -0.7141 -0.7141 -0.7136 -0.7136 0.2100 0.2100 0.2136 0.2136 1.4240 1.4240 1.4401 1.4401 3.1860 3.1860 3.2002 3.2002 11.3748 11.3748 11.3873 11.3873 12.5036 12.5036 12.5125 12.5125 k = 0.0000 0.5000 0.4283 ( 1872 PWs) bands (ev): -17.8627 -17.8627 -17.8626 -17.8626 -16.9432 -16.9432 -16.9431 -16.9431 -3.6584 -3.6584 -3.6569 -3.6569 -1.9887 -1.9887 -1.9869 -1.9869 -0.7141 -0.7141 -0.7136 -0.7136 0.2100 0.2100 0.2136 0.2136 1.4240 1.4240 1.4401 1.4401 3.1860 3.1860 3.2002 3.2002 11.3748 11.3748 11.3873 11.3873 12.5036 12.5036 12.5125 12.5125 k = 0.0111 0.5000 0.4283 ( 1868 PWs) bands (ev): -17.8625 -17.8625 -17.8623 -17.8623 -16.9433 -16.9433 -16.9432 -16.9432 -3.6594 -3.6594 -3.6579 -3.6579 -1.9874 -1.9874 -1.9856 -1.9856 -0.7185 -0.7185 -0.7180 -0.7180 0.2098 0.2098 0.2134 0.2134 1.4286 1.4286 1.4447 1.4447 3.1864 3.1864 3.2007 3.2007 11.3745 11.3745 11.3869 11.3869 12.5022 12.5022 12.5111 12.5111 k = 0.0222 0.5000 0.4283 ( 1868 PWs) bands (ev): -17.8618 -17.8618 -17.8617 -17.8617 -16.9436 -16.9436 -16.9436 -16.9436 -3.6625 -3.6625 -3.6610 -3.6610 -1.9836 -1.9836 -1.9818 -1.9818 -0.7317 -0.7317 -0.7310 -0.7310 0.2091 0.2091 0.2129 0.2129 1.4424 1.4424 1.4584 1.4584 3.1879 3.1879 3.2022 3.2022 11.3735 11.3735 11.3859 11.3859 12.4980 12.4980 12.5070 12.5070 k = 0.0333 0.5000 0.4283 ( 1876 PWs) bands (ev): -17.8607 -17.8607 -17.8605 -17.8605 -16.9443 -16.9443 -16.9442 -16.9442 -3.6675 -3.6675 -3.6660 -3.6660 -1.9775 -1.9775 -1.9757 -1.9757 -0.7531 -0.7531 -0.7523 -0.7523 0.2082 0.2082 0.2120 0.2120 1.4648 1.4648 1.4808 1.4808 3.1903 3.1903 3.2046 3.2046 11.3717 11.3717 11.3842 11.3842 12.4913 12.4913 12.5003 12.5003 k = 0.0444 0.5000 0.4283 ( 1876 PWs) bands (ev): -17.8591 -17.8591 -17.8590 -17.8590 -16.9451 -16.9451 -16.9450 -16.9450 -3.6743 -3.6743 -3.6729 -3.6729 -1.9690 -1.9690 -1.9672 -1.9672 -0.7823 -0.7823 -0.7812 -0.7812 0.2069 0.2069 0.2109 0.2109 1.4952 1.4952 1.5112 1.5112 3.1936 3.1936 3.2080 3.2080 11.3691 11.3691 11.3817 11.3817 12.4820 12.4820 12.4912 12.4912 k = 0.0556 0.5000 0.4283 ( 1872 PWs) bands (ev): -17.8571 -17.8571 -17.8570 -17.8570 -16.9462 -16.9462 -16.9461 -16.9461 -3.6829 -3.6829 -3.6815 -3.6815 -1.9584 -1.9584 -1.9566 -1.9566 -0.8184 -0.8184 -0.8169 -0.8169 0.2055 0.2055 0.2097 0.2097 1.5328 1.5328 1.5487 1.5487 3.1981 3.1981 3.2124 3.2124 11.3658 11.3658 11.3784 11.3784 12.4706 12.4706 12.4800 12.4800 k = 0.0667 0.5000 0.4283 ( 1876 PWs) bands (ev): -17.8547 -17.8547 -17.8545 -17.8545 -16.9475 -16.9475 -16.9474 -16.9474 -3.6932 -3.6932 -3.6918 -3.6918 -1.9460 -1.9460 -1.9441 -1.9441 -0.8605 -0.8605 -0.8586 -0.8586 0.2039 0.2039 0.2083 0.2083 1.5766 1.5766 1.5925 1.5925 3.2035 3.2035 3.2179 3.2179 11.3615 11.3615 11.3741 11.3741 12.4574 12.4574 12.4669 12.4669 k = 0.0778 0.5000 0.4283 ( 1876 PWs) bands (ev): -17.8518 -17.8518 -17.8516 -17.8516 -16.9490 -16.9490 -16.9490 -16.9490 -3.7049 -3.7049 -3.7036 -3.7036 -1.9320 -1.9320 -1.9301 -1.9301 -0.9076 -0.9076 -0.9054 -0.9054 0.2024 0.2024 0.2069 0.2069 1.6255 1.6255 1.6414 1.6414 3.2101 3.2101 3.2245 3.2245 11.3562 11.3562 11.3689 11.3689 12.4426 12.4426 12.4523 12.4523 k = 0.0889 0.5000 0.4283 ( 1876 PWs) bands (ev): -17.8485 -17.8485 -17.8483 -17.8483 -16.9508 -16.9508 -16.9507 -16.9507 -3.7179 -3.7179 -3.7166 -3.7166 -1.9168 -1.9168 -1.9148 -1.9148 -0.9587 -0.9587 -0.9561 -0.9561 0.2008 0.2008 0.2055 0.2055 1.6788 1.6788 1.6946 1.6946 3.2178 3.2178 3.2323 3.2323 11.3498 11.3498 11.3626 11.3626 12.4266 12.4266 12.4365 12.4365 k = 0.1000 0.5000 0.4283 ( 1884 PWs) bands (ev): -17.8448 -17.8448 -17.8447 -17.8447 -16.9528 -16.9528 -16.9527 -16.9527 -3.7320 -3.7320 -3.7308 -3.7308 -1.9008 -1.9008 -1.8987 -1.8987 -1.0128 -1.0128 -1.0098 -1.0098 0.1993 0.1993 0.2042 0.2042 1.7353 1.7353 1.7511 1.7511 3.2267 3.2267 3.2412 3.2412 11.3422 11.3422 11.3549 11.3549 12.4100 12.4100 12.4200 12.4200 k = 0.1111 0.5000 0.4283 ( 1880 PWs) bands (ev): -17.8407 -17.8407 -17.8405 -17.8405 -16.9550 -16.9550 -16.9549 -16.9549 -3.7471 -3.7471 -3.7460 -3.7460 -1.8846 -1.8846 -1.8824 -1.8824 -1.0688 -1.0688 -1.0654 -1.0654 0.1978 0.1978 0.2029 0.2029 1.7944 1.7944 1.8101 1.8101 3.2370 3.2370 3.2515 3.2515 11.3332 11.3332 11.3460 11.3460 12.3931 12.3931 12.4033 12.4033 k = 0.1222 0.5000 0.4283 ( 1872 PWs) bands (ev): -17.8362 -17.8362 -17.8360 -17.8360 -16.9574 -16.9574 -16.9574 -16.9574 -3.7629 -3.7629 -3.7618 -3.7618 -1.8690 -1.8690 -1.8667 -1.8667 -1.1255 -1.1255 -1.1216 -1.1216 0.1964 0.1964 0.2016 0.2016 1.8551 1.8551 1.8708 1.8708 3.2486 3.2486 3.2632 3.2632 11.3229 11.3229 11.3357 11.3357 12.3763 12.3763 12.3867 12.3867 k = 0.1333 0.5000 0.4283 ( 1872 PWs) bands (ev): -17.8313 -17.8313 -17.8312 -17.8312 -16.9601 -16.9601 -16.9601 -16.9601 -3.7793 -3.7793 -3.7783 -3.7783 -1.8549 -1.8549 -1.8524 -1.8524 -1.1815 -1.1815 -1.1771 -1.1771 0.1951 0.1951 0.2004 0.2004 1.9168 1.9168 1.9325 1.9325 3.2617 3.2617 3.2763 3.2763 11.3110 11.3110 11.3238 11.3238 12.3600 12.3600 12.3705 12.3705 k = 0.1444 0.5000 0.4283 ( 1868 PWs) bands (ev): -17.8261 -17.8261 -17.8259 -17.8259 -16.9630 -16.9630 -16.9629 -16.9629 -3.7961 -3.7961 -3.7952 -3.7952 -1.8436 -1.8436 -1.8409 -1.8409 -1.2352 -1.2352 -1.2304 -1.2304 0.1938 0.1938 0.1991 0.1991 1.9788 1.9788 1.9944 1.9944 3.2765 3.2765 3.2910 3.2910 11.2976 11.2976 11.3102 11.3102 12.3446 12.3446 12.3552 12.3552 k = 0.1556 0.5000 0.4283 ( 1864 PWs) bands (ev): -17.8205 -17.8205 -17.8204 -17.8204 -16.9661 -16.9661 -16.9660 -16.9660 -3.8131 -3.8131 -3.8123 -3.8123 -1.8368 -1.8368 -1.8338 -1.8338 -1.2846 -1.2846 -1.2793 -1.2793 0.1925 0.1925 0.1979 0.1979 2.0405 2.0405 2.0559 2.0559 3.2929 3.2929 3.3074 3.3074 11.2825 11.2825 11.2950 11.2950 12.3304 12.3304 12.3410 12.3410 k = 0.1667 0.5000 0.4283 ( 1864 PWs) bands (ev): -17.8146 -17.8146 -17.8145 -17.8145 -16.9694 -16.9694 -16.9693 -16.9693 -3.8302 -3.8302 -3.8294 -3.8294 -1.8366 -1.8366 -1.8334 -1.8334 -1.3274 -1.3274 -1.3217 -1.3217 0.1912 0.1912 0.1967 0.1967 2.1013 2.1013 2.1166 2.1166 3.3111 3.3111 3.3255 3.3255 11.2657 11.2657 11.2781 11.2781 12.3176 12.3176 12.3282 12.3282 k = 0.1778 0.5000 0.4283 ( 1864 PWs) bands (ev): -17.8084 -17.8084 -17.8083 -17.8083 -16.9729 -16.9729 -16.9729 -16.9729 -3.8472 -3.8472 -3.8465 -3.8465 -1.8452 -1.8452 -1.8420 -1.8420 -1.3610 -1.3610 -1.3550 -1.3550 0.1900 0.1900 0.1955 0.1955 2.1607 2.1607 2.1758 2.1758 3.3312 3.3312 3.3454 3.3454 11.2474 11.2474 11.2595 11.2595 12.3065 12.3065 12.3170 12.3170 k = 0.1889 0.5000 0.4283 ( 1856 PWs) bands (ev): -17.8019 -17.8019 -17.8018 -17.8018 -16.9766 -16.9766 -16.9765 -16.9765 -3.8640 -3.8640 -3.8634 -3.8634 -1.8642 -1.8642 -1.8612 -1.8612 -1.3835 -1.3835 -1.3776 -1.3776 0.1887 0.1887 0.1943 0.1943 2.2183 2.2183 2.2331 2.2331 3.3533 3.3533 3.3673 3.3673 11.2275 11.2275 11.2394 11.2394 12.2972 12.2972 12.3076 12.3076 k = 0.2000 0.5000 0.4283 ( 1856 PWs) bands (ev): -17.7952 -17.7952 -17.7950 -17.7950 -16.9805 -16.9805 -16.9804 -16.9804 -3.8805 -3.8805 -3.8800 -3.8800 -1.8940 -1.8940 -1.8913 -1.8913 -1.3946 -1.3946 -1.3888 -1.3888 0.1874 0.1874 0.1930 0.1930 2.2736 2.2736 2.2882 2.2882 3.3774 3.3774 3.3912 3.3912 11.2062 11.2062 11.2177 11.2177 12.2898 12.2898 12.3000 12.3000 k = 0.2111 0.5000 0.4283 ( 1856 PWs) bands (ev): -17.7882 -17.7882 -17.7880 -17.7880 -16.9845 -16.9845 -16.9845 -16.9845 -3.8965 -3.8965 -3.8960 -3.8960 -1.9334 -1.9334 -1.9311 -1.9311 -1.3954 -1.3954 -1.3900 -1.3900 0.1861 0.1861 0.1917 0.1917 2.3264 2.3264 2.3406 2.3406 3.4037 3.4037 3.4170 3.4170 11.1835 11.1835 11.1947 11.1947 12.2843 12.2843 12.2943 12.2943 k = 0.2222 0.5000 0.4283 ( 1848 PWs) bands (ev): -17.7809 -17.7809 -17.7808 -17.7808 -16.9887 -16.9887 -16.9887 -16.9887 -3.9119 -3.9119 -3.9115 -3.9115 -1.9803 -1.9803 -1.9785 -1.9785 -1.3880 -1.3880 -1.3829 -1.3829 0.1848 0.1848 0.1903 0.1903 2.3763 2.3763 2.3901 2.3901 3.4319 3.4319 3.4448 3.4448 11.1597 11.1597 11.1705 11.1705 12.2808 12.2808 12.2905 12.2905 k = 0.2333 0.5000 0.4283 ( 1848 PWs) bands (ev): -17.7735 -17.7735 -17.7734 -17.7734 -16.9931 -16.9931 -16.9931 -16.9931 -3.9267 -3.9267 -3.9264 -3.9264 -2.0324 -2.0324 -2.0311 -2.0311 -1.3745 -1.3745 -1.3698 -1.3698 0.1833 0.1833 0.1888 0.1888 2.4232 2.4232 2.4365 2.4365 3.4621 3.4621 3.4745 3.4745 11.1350 11.1350 11.1453 11.1453 12.2791 12.2791 12.2885 12.2885 k = 0.2444 0.5000 0.4283 ( 1848 PWs) bands (ev): -17.7660 -17.7660 -17.7658 -17.7658 -16.9976 -16.9976 -16.9976 -16.9976 -3.9408 -3.9408 -3.9405 -3.9405 -2.0880 -2.0880 -2.0870 -2.0870 -1.3568 -1.3568 -1.3524 -1.3524 0.1819 0.1819 0.1873 0.1873 2.4670 2.4670 2.4796 2.4796 3.4941 3.4941 3.5060 3.5060 11.1095 11.1095 11.1194 11.1194 12.2791 12.2791 12.2882 12.2882 k = 0.2556 0.5000 0.4283 ( 1844 PWs) bands (ev): -17.7583 -17.7583 -17.7581 -17.7581 -17.0023 -17.0023 -17.0023 -17.0023 -3.9540 -3.9540 -3.9538 -3.9538 -2.1456 -2.1456 -2.1450 -2.1450 -1.3362 -1.3362 -1.3321 -1.3321 0.1804 0.1804 0.1857 0.1857 2.5075 2.5075 2.5195 2.5195 3.5277 3.5277 3.5391 3.5391 11.0835 11.0835 11.0930 11.0930 12.2808 12.2808 12.2896 12.2896 k = 0.2667 0.5000 0.4283 ( 1840 PWs) bands (ev): -17.7505 -17.7505 -17.7503 -17.7503 -17.0070 -17.0070 -17.0070 -17.0070 -3.9664 -3.9664 -3.9662 -3.9662 -2.2042 -2.2042 -2.2038 -2.2038 -1.3138 -1.3138 -1.3099 -1.3099 0.1788 0.1788 0.1841 0.1841 2.5448 2.5448 2.5562 2.5562 3.5628 3.5628 3.5735 3.5735 11.0573 11.0573 11.0662 11.0662 12.2840 12.2840 12.2924 12.2924 k = 0.2778 0.5000 0.4283 ( 1844 PWs) bands (ev): -17.7426 -17.7426 -17.7425 -17.7425 -17.0119 -17.0119 -17.0119 -17.0119 -3.9778 -3.9778 -3.9777 -3.9777 -2.2630 -2.2630 -2.2628 -2.2628 -1.2902 -1.2902 -1.2864 -1.2864 0.1771 0.1771 0.1823 0.1823 2.5790 2.5790 2.5896 2.5896 3.5990 3.5990 3.6090 3.6090 11.0309 11.0309 11.0393 11.0393 12.2885 12.2885 12.2965 12.2965 k = 0.2889 0.5000 0.4283 ( 1844 PWs) bands (ev): -17.7347 -17.7347 -17.7346 -17.7346 -17.0168 -17.0168 -17.0168 -17.0168 -3.9883 -3.9883 -3.9882 -3.9882 -2.3214 -2.3214 -2.3213 -2.3213 -1.2659 -1.2659 -1.2624 -1.2624 0.1754 0.1754 0.1805 0.1805 2.6101 2.6101 2.6201 2.6201 3.6360 3.6360 3.6452 3.6452 11.0046 11.0046 11.0126 11.0126 12.2942 12.2942 12.3018 12.3018 k = 0.3000 0.5000 0.4283 ( 1848 PWs) bands (ev): -17.7268 -17.7268 -17.7267 -17.7267 -17.0218 -17.0218 -17.0217 -17.0217 -3.9977 -3.9977 -3.9977 -3.9977 -2.3790 -2.3790 -2.3788 -2.3788 -1.2415 -1.2415 -1.2381 -1.2381 0.1737 0.1737 0.1786 0.1786 2.6384 2.6384 2.6476 2.6476 3.6733 3.6733 3.6819 3.6819 10.9787 10.9787 10.9862 10.9862 12.3008 12.3008 12.3080 12.3080 k = 0.3111 0.5000 0.4283 ( 1844 PWs) bands (ev): -17.7190 -17.7190 -17.7189 -17.7189 -17.0267 -17.0267 -17.0267 -17.0267 -4.0062 -4.0062 -4.0062 -4.0062 -2.4354 -2.4354 -2.4351 -2.4351 -1.2171 -1.2171 -1.2139 -1.2139 0.1719 0.1719 0.1767 0.1767 2.6641 2.6641 2.6725 2.6725 3.7108 3.7108 3.7186 3.7186 10.9533 10.9533 10.9604 10.9604 12.3083 12.3083 12.3151 12.3151 k = 0.3222 0.5000 0.4283 ( 1844 PWs) bands (ev): -17.7112 -17.7112 -17.7111 -17.7111 -17.0317 -17.0317 -17.0317 -17.0317 -4.0137 -4.0137 -4.0136 -4.0136 -2.4902 -2.4902 -2.4898 -2.4898 -1.1932 -1.1932 -1.1901 -1.1901 0.1701 0.1701 0.1747 0.1747 2.6872 2.6872 2.6949 2.6949 3.7480 3.7480 3.7551 3.7551 10.9287 10.9287 10.9352 10.9352 12.3164 12.3164 12.3228 12.3228 k = 0.3333 0.5000 0.4283 ( 1844 PWs) bands (ev): -17.7036 -17.7036 -17.7035 -17.7035 -17.0366 -17.0366 -17.0366 -17.0366 -4.0202 -4.0202 -4.0201 -4.0201 -2.5432 -2.5432 -2.5427 -2.5427 -1.1698 -1.1698 -1.1668 -1.1668 0.1682 0.1682 0.1727 0.1727 2.7080 2.7080 2.7151 2.7151 3.7845 3.7845 3.7910 3.7910 10.9048 10.9048 10.9109 10.9109 12.3250 12.3250 12.3309 12.3309 k = 0.3444 0.5000 0.4283 ( 1840 PWs) bands (ev): -17.6961 -17.6961 -17.6960 -17.6960 -17.0415 -17.0415 -17.0415 -17.0415 -4.0257 -4.0257 -4.0256 -4.0256 -2.5941 -2.5941 -2.5936 -2.5936 -1.1471 -1.1471 -1.1443 -1.1443 0.1663 0.1663 0.1706 0.1706 2.7267 2.7267 2.7331 2.7331 3.8201 3.8201 3.8260 3.8260 10.8820 10.8820 10.8876 10.8876 12.3339 12.3339 12.3394 12.3394 k = 0.3556 0.5000 0.4283 ( 1844 PWs) bands (ev): -17.6889 -17.6889 -17.6888 -17.6888 -17.0463 -17.0463 -17.0463 -17.0463 -4.0302 -4.0302 -4.0301 -4.0301 -2.6427 -2.6427 -2.6422 -2.6422 -1.1254 -1.1254 -1.1227 -1.1227 0.1645 0.1645 0.1685 0.1685 2.7434 2.7434 2.7492 2.7492 3.8544 3.8544 3.8597 3.8597 10.8603 10.8603 10.8655 10.8655 12.3429 12.3429 12.3481 12.3481 k = 0.3667 0.5000 0.4283 ( 1844 PWs) bands (ev): -17.6820 -17.6820 -17.6819 -17.6819 -17.0509 -17.0509 -17.0509 -17.0509 -4.0339 -4.0339 -4.0337 -4.0337 -2.6888 -2.6888 -2.6882 -2.6882 -1.1047 -1.1047 -1.1022 -1.1022 0.1626 0.1626 0.1665 0.1665 2.7584 2.7584 2.7636 2.7636 3.8872 3.8872 3.8919 3.8919 10.8399 10.8399 10.8446 10.8446 12.3519 12.3519 12.3567 12.3567 k = 0.3778 0.5000 0.4283 ( 1844 PWs) bands (ev): -17.6753 -17.6753 -17.6752 -17.6752 -17.0554 -17.0554 -17.0553 -17.0553 -4.0367 -4.0367 -4.0365 -4.0365 -2.7322 -2.7322 -2.7316 -2.7316 -1.0852 -1.0852 -1.0829 -1.0829 0.1609 0.1609 0.1644 0.1644 2.7717 2.7717 2.7764 2.7764 3.9182 3.9182 3.9224 3.9224 10.8208 10.8208 10.8251 10.8251 12.3609 12.3609 12.3652 12.3652 k = 0.3889 0.5000 0.4283 ( 1848 PWs) bands (ev): -17.6690 -17.6690 -17.6690 -17.6690 -17.0596 -17.0596 -17.0596 -17.0596 -4.0387 -4.0387 -4.0386 -4.0386 -2.7727 -2.7727 -2.7721 -2.7721 -1.0671 -1.0671 -1.0649 -1.0649 0.1591 0.1591 0.1625 0.1625 2.7835 2.7835 2.7876 2.7876 3.9471 3.9471 3.9508 3.9508 10.8031 10.8031 10.8070 10.8070 12.3695 12.3695 12.3735 12.3735 k = 0.4000 0.5000 0.4283 ( 1844 PWs) bands (ev): -17.6632 -17.6632 -17.6631 -17.6631 -17.0636 -17.0636 -17.0636 -17.0636 -4.0401 -4.0401 -4.0400 -4.0400 -2.8101 -2.8101 -2.8095 -2.8095 -1.0502 -1.0502 -1.0482 -1.0482 0.1575 0.1575 0.1605 0.1605 2.7939 2.7939 2.7976 2.7976 3.9739 3.9739 3.9772 3.9772 10.7869 10.7869 10.7904 10.7904 12.3778 12.3778 12.3813 12.3813 k = 0.4111 0.5000 0.4283 ( 1848 PWs) bands (ev): -17.6577 -17.6577 -17.6577 -17.6577 -17.0673 -17.0673 -17.0673 -17.0673 -4.0409 -4.0409 -4.0408 -4.0408 -2.8442 -2.8442 -2.8437 -2.8437 -1.0350 -1.0350 -1.0331 -1.0331 0.1560 0.1560 0.1587 0.1587 2.8030 2.8030 2.8062 2.8062 3.9983 3.9983 4.0011 4.0011 10.7723 10.7723 10.7754 10.7754 12.3855 12.3855 12.3886 12.3886 k = 0.4222 0.5000 0.4283 ( 1852 PWs) bands (ev): -17.6528 -17.6528 -17.6528 -17.6528 -17.0707 -17.0707 -17.0707 -17.0707 -4.0413 -4.0413 -4.0411 -4.0411 -2.8748 -2.8748 -2.8743 -2.8743 -1.0213 -1.0213 -1.0196 -1.0196 0.1546 0.1546 0.1570 0.1570 2.8109 2.8109 2.8136 2.8136 4.0202 4.0202 4.0226 4.0226 10.7593 10.7593 10.7620 10.7620 12.3926 12.3926 12.3953 12.3953 k = 0.4333 0.5000 0.4283 ( 1848 PWs) bands (ev): -17.6485 -17.6485 -17.6484 -17.6484 -17.0737 -17.0737 -17.0737 -17.0737 -4.0413 -4.0413 -4.0411 -4.0411 -2.9018 -2.9018 -2.9014 -2.9014 -1.0092 -1.0092 -1.0078 -1.0078 0.1534 0.1534 0.1555 0.1555 2.8176 2.8176 2.8199 2.8199 4.0394 4.0394 4.0414 4.0414 10.7481 10.7481 10.7503 10.7503 12.3989 12.3989 12.4013 12.4013 k = 0.4444 0.5000 0.4283 ( 1848 PWs) bands (ev): -17.6447 -17.6447 -17.6447 -17.6447 -17.0763 -17.0763 -17.0763 -17.0763 -4.0410 -4.0410 -4.0409 -4.0409 -2.9249 -2.9249 -2.9246 -2.9246 -0.9989 -0.9989 -0.9977 -0.9977 0.1523 0.1523 0.1541 0.1541 2.8232 2.8232 2.8251 2.8251 4.0558 4.0558 4.0575 4.0575 10.7385 10.7385 10.7404 10.7404 12.4045 12.4045 12.4065 12.4065 k = 0.4556 0.5000 0.4283 ( 1852 PWs) bands (ev): -17.6416 -17.6416 -17.6416 -17.6416 -17.0785 -17.0785 -17.0785 -17.0785 -4.0406 -4.0406 -4.0405 -4.0405 -2.9441 -2.9441 -2.9438 -2.9438 -0.9903 -0.9903 -0.9893 -0.9893 0.1514 0.1514 0.1529 0.1529 2.8278 2.8278 2.8292 2.8292 4.0694 4.0694 4.0707 4.0707 10.7306 10.7306 10.7321 10.7321 12.4092 12.4092 12.4108 12.4108 k = 0.4667 0.5000 0.4283 ( 1852 PWs) bands (ev): -17.6391 -17.6391 -17.6391 -17.6391 -17.0803 -17.0803 -17.0803 -17.0803 -4.0402 -4.0402 -4.0401 -4.0401 -2.9592 -2.9592 -2.9589 -2.9589 -0.9835 -0.9835 -0.9828 -0.9828 0.1508 0.1508 0.1519 0.1519 2.8313 2.8313 2.8324 2.8324 4.0800 4.0800 4.0810 4.0810 10.7245 10.7245 10.7257 10.7257 12.4130 12.4130 12.4142 12.4142 k = 0.4778 0.5000 0.4283 ( 1852 PWs) bands (ev): -17.6373 -17.6373 -17.6373 -17.6373 -17.0815 -17.0815 -17.0815 -17.0815 -4.0398 -4.0398 -4.0398 -4.0398 -2.9700 -2.9700 -2.9699 -2.9699 -0.9787 -0.9787 -0.9782 -0.9782 0.1504 0.1504 0.1511 0.1511 2.8339 2.8339 2.8346 2.8346 4.0878 4.0878 4.0884 4.0884 10.7202 10.7202 10.7210 10.7210 12.4158 12.4158 12.4166 12.4166 k = 0.4889 0.5000 0.4283 ( 1848 PWs) bands (ev): -17.6363 -17.6363 -17.6362 -17.6362 -17.0823 -17.0823 -17.0823 -17.0823 -4.0396 -4.0396 -4.0395 -4.0395 -2.9765 -2.9765 -2.9765 -2.9765 -0.9757 -0.9757 -0.9754 -0.9754 0.1502 0.1502 0.1506 0.1506 2.8355 2.8355 2.8359 2.8359 4.0925 4.0925 4.0928 4.0928 10.7177 10.7177 10.7181 10.7181 12.4176 12.4176 12.4180 12.4180 k = 0.5000 0.5000 0.4283 ( 1848 PWs) bands (ev): -17.6359 -17.6359 -17.6359 -17.6359 -17.0826 -17.0826 -17.0825 -17.0825 -4.0395 -4.0395 -4.0395 -4.0395 -2.9787 -2.9787 -2.9787 -2.9787 -0.9746 -0.9746 -0.9746 -0.9746 0.1502 0.1502 0.1503 0.1503 2.8361 2.8361 2.8362 2.8362 4.0941 4.0941 4.0942 4.0942 10.7169 10.7169 10.7171 10.7171 12.4183 12.4183 12.4183 12.4183 k = 0.5000 0.5000 0.4283 ( 1848 PWs) bands (ev): -17.6359 -17.6359 -17.6359 -17.6359 -17.0826 -17.0826 -17.0825 -17.0825 -4.0395 -4.0395 -4.0395 -4.0395 -2.9787 -2.9787 -2.9787 -2.9787 -0.9746 -0.9746 -0.9746 -0.9746 0.1502 0.1502 0.1503 0.1503 2.8361 2.8361 2.8362 2.8362 4.0941 4.0941 4.0942 4.0942 10.7169 10.7169 10.7171 10.7171 12.4183 12.4183 12.4183 12.4183 k = 0.4922 0.4922 0.4283 ( 1848 PWs) bands (ev): -17.6363 -17.6363 -17.6362 -17.6362 -17.0823 -17.0823 -17.0823 -17.0823 -4.0408 -4.0408 -4.0383 -4.0383 -2.9777 -2.9777 -2.9753 -2.9753 -0.9765 -0.9765 -0.9746 -0.9746 0.1500 0.1500 0.1508 0.1508 2.8352 2.8352 2.8362 2.8362 4.0923 4.0923 4.0930 4.0930 10.7175 10.7175 10.7183 10.7183 12.4174 12.4174 12.4181 12.4181 k = 0.4844 0.4844 0.4283 ( 1856 PWs) bands (ev): -17.6374 -17.6374 -17.6373 -17.6373 -17.0816 -17.0816 -17.0815 -17.0815 -4.0447 -4.0447 -4.0349 -4.0349 -2.9749 -2.9749 -2.9652 -2.9652 -0.9821 -0.9821 -0.9746 -0.9746 0.1492 0.1492 0.1522 0.1522 2.8325 2.8325 2.8360 2.8360 4.0868 4.0868 4.0894 4.0894 10.7190 10.7190 10.7221 10.7221 12.4152 12.4152 12.4172 12.4172 k = 0.4766 0.4766 0.4283 ( 1852 PWs) bands (ev): -17.6392 -17.6392 -17.6390 -17.6390 -17.0804 -17.0804 -17.0802 -17.0802 -4.0510 -4.0510 -4.0291 -4.0291 -2.9702 -2.9702 -2.9486 -2.9486 -0.9914 -0.9914 -0.9747 -0.9747 0.1480 0.1480 0.1545 0.1545 2.8281 2.8281 2.8358 2.8358 4.0778 4.0778 4.0836 4.0836 10.7215 10.7215 10.7284 10.7284 12.4115 12.4115 12.4157 12.4157 k = 0.4688 0.4687 0.4283 ( 1856 PWs) bands (ev): -17.6418 -17.6418 -17.6414 -17.6414 -17.0787 -17.0787 -17.0784 -17.0784 -4.0594 -4.0594 -4.0210 -4.0210 -2.9635 -2.9635 -2.9259 -2.9259 -1.0043 -1.0043 -0.9747 -0.9747 0.1464 0.1464 0.1576 0.1576 2.8220 2.8220 2.8354 2.8354 4.0651 4.0651 4.0754 4.0754 10.7250 10.7250 10.7371 10.7371 12.4065 12.4065 12.4136 12.4136 k = 0.4609 0.4609 0.4283 ( 1856 PWs) bands (ev): -17.6451 -17.6451 -17.6444 -17.6444 -17.0765 -17.0765 -17.0761 -17.0761 -4.0695 -4.0695 -4.0107 -4.0107 -2.9550 -2.9550 -2.8973 -2.8973 -1.0206 -1.0206 -0.9748 -0.9748 0.1442 0.1442 0.1614 0.1614 2.8142 2.8142 2.8350 2.8350 4.0488 4.0488 4.0649 4.0649 10.7295 10.7295 10.7482 10.7482 12.4001 12.4001 12.4109 12.4109 k = 0.4531 0.4531 0.4283 ( 1856 PWs) bands (ev): -17.6490 -17.6490 -17.6482 -17.6482 -17.0738 -17.0738 -17.0733 -17.0733 -4.0809 -4.0809 -3.9982 -3.9982 -2.9446 -2.9446 -2.8635 -2.8635 -1.0401 -1.0401 -0.9749 -0.9749 0.1416 0.1416 0.1657 0.1657 2.8047 2.8047 2.8344 2.8344 4.0291 4.0291 4.0521 4.0521 10.7350 10.7350 10.7616 10.7616 12.3926 12.3926 12.4074 12.4074 k = 0.4453 0.4453 0.4283 ( 1856 PWs) bands (ev): -17.6537 -17.6537 -17.6526 -17.6526 -17.0707 -17.0707 -17.0700 -17.0700 -4.0933 -4.0933 -3.9834 -3.9834 -2.9323 -2.9323 -2.8247 -2.8247 -1.0626 -1.0626 -0.9749 -0.9749 0.1386 0.1386 0.1705 0.1705 2.7936 2.7936 2.8338 2.8338 4.0059 4.0059 4.0371 4.0371 10.7414 10.7414 10.7769 10.7769 12.3841 12.3841 12.4032 12.4032 k = 0.4375 0.4375 0.4283 ( 1856 PWs) bands (ev): -17.6590 -17.6590 -17.6576 -17.6576 -17.0671 -17.0671 -17.0662 -17.0662 -4.1062 -4.1062 -3.9665 -3.9665 -2.9182 -2.9182 -2.7815 -2.7815 -1.0880 -1.0880 -0.9750 -0.9750 0.1351 0.1351 0.1755 0.1755 2.7810 2.7810 2.8330 2.8330 3.9793 3.9793 4.0199 4.0199 10.7488 10.7488 10.7942 10.7942 12.3746 12.3746 12.3983 12.3983 k = 0.4297 0.4297 0.4283 ( 1860 PWs) bands (ev): -17.6650 -17.6650 -17.6633 -17.6633 -17.0631 -17.0631 -17.0619 -17.0619 -4.1193 -4.1193 -3.9475 -3.9475 -2.9022 -2.9022 -2.7343 -2.7343 -1.1160 -1.1160 -0.9750 -0.9750 0.1311 0.1311 0.1806 0.1806 2.7670 2.7670 2.8320 2.8320 3.9495 3.9495 4.0005 4.0005 10.7571 10.7571 10.8131 10.8131 12.3645 12.3645 12.3925 12.3925 k = 0.4219 0.4219 0.4283 ( 1852 PWs) bands (ev): -17.6716 -17.6716 -17.6695 -17.6695 -17.0586 -17.0586 -17.0572 -17.0572 -4.1323 -4.1323 -3.9264 -3.9264 -2.8843 -2.8843 -2.6834 -2.6834 -1.1464 -1.1464 -0.9751 -0.9751 0.1267 0.1267 0.1856 0.1856 2.7516 2.7516 2.8310 2.8310 3.9165 3.9165 3.9790 3.9790 10.7663 10.7663 10.8336 10.8336 12.3538 12.3538 12.3858 12.3858 k = 0.4141 0.4141 0.4283 ( 1856 PWs) bands (ev): -17.6788 -17.6788 -17.6764 -17.6764 -17.0537 -17.0537 -17.0521 -17.0521 -4.1448 -4.1448 -3.9033 -3.9033 -2.8646 -2.8646 -2.6294 -2.6294 -1.1789 -1.1789 -0.9750 -0.9750 0.1220 0.1220 0.1905 0.1905 2.7348 2.7348 2.8297 2.8297 3.8804 3.8804 3.9555 3.9555 10.7764 10.7764 10.8552 10.8552 12.3428 12.3428 12.3782 12.3782 k = 0.4062 0.4062 0.4283 ( 1848 PWs) bands (ev): -17.6866 -17.6866 -17.6839 -17.6839 -17.0483 -17.0483 -17.0465 -17.0465 -4.1567 -4.1567 -3.8783 -3.8783 -2.8430 -2.8430 -2.5724 -2.5724 -1.2133 -1.2133 -0.9749 -0.9749 0.1168 0.1168 0.1951 0.1951 2.7170 2.7170 2.8283 2.8283 3.8413 3.8413 3.9299 3.9299 10.7874 10.7874 10.8777 10.8777 12.3318 12.3318 12.3696 12.3696 k = 0.3984 0.3984 0.4283 ( 1852 PWs) bands (ev): -17.6950 -17.6950 -17.6919 -17.6919 -17.0425 -17.0425 -17.0405 -17.0405 -4.1677 -4.1677 -3.8515 -3.8515 -2.8197 -2.8197 -2.5130 -2.5130 -1.2494 -1.2494 -0.9748 -0.9748 0.1112 0.1112 0.1993 0.1993 2.6980 2.6980 2.8266 2.8266 3.7993 3.7993 3.9024 3.9024 10.7991 10.7991 10.9009 10.9009 12.3209 12.3209 12.3599 12.3599 k = 0.3906 0.3906 0.4283 ( 1852 PWs) bands (ev): -17.7039 -17.7039 -17.7004 -17.7004 -17.0363 -17.0363 -17.0341 -17.0341 -4.1777 -4.1777 -3.8228 -3.8228 -2.7945 -2.7945 -2.4512 -2.4512 -1.2869 -1.2869 -0.9746 -0.9746 0.1053 0.1053 0.2029 0.2029 2.6780 2.6780 2.8247 2.8247 3.7545 3.7545 3.8730 3.8730 10.8117 10.8117 10.9243 10.9243 12.3105 12.3105 12.3491 12.3491 k = 0.3828 0.3828 0.4283 ( 1852 PWs) bands (ev): -17.7132 -17.7132 -17.7094 -17.7094 -17.0298 -17.0298 -17.0274 -17.0274 -4.1865 -4.1865 -3.7925 -3.7925 -2.7675 -2.7675 -2.3874 -2.3874 -1.3257 -1.3257 -0.9743 -0.9743 0.0990 0.0990 0.2059 0.2059 2.6571 2.6571 2.8226 2.8226 3.7072 3.7072 3.8418 3.8418 10.8251 10.8251 10.9478 10.9478 12.3008 12.3008 12.3371 12.3371 k = 0.3750 0.3750 0.4283 ( 1852 PWs) bands (ev): -17.7231 -17.7231 -17.7190 -17.7190 -17.0228 -17.0228 -17.0203 -17.0203 -4.1939 -4.1939 -3.7607 -3.7607 -2.7387 -2.7387 -2.3220 -2.3220 -1.3654 -1.3654 -0.9739 -0.9739 0.0924 0.0924 0.2082 0.2082 2.6355 2.6355 2.8202 2.8202 3.6573 3.6573 3.8089 3.8089 10.8392 10.8392 10.9709 10.9709 12.2920 12.2920 12.3240 12.3240 k = 0.3672 0.3672 0.4283 ( 1850 PWs) bands (ev): -17.7334 -17.7334 -17.7290 -17.7290 -17.0155 -17.0155 -17.0128 -17.0128 -4.2000 -4.2000 -3.7274 -3.7274 -2.7081 -2.7081 -2.2550 -2.2550 -1.4059 -1.4059 -0.9734 -0.9734 0.0856 0.0856 0.2097 0.2097 2.6132 2.6132 2.8175 2.8175 3.6050 3.6050 3.7743 3.7743 10.8540 10.8540 10.9933 10.9933 12.2844 12.2844 12.3097 12.3097 k = 0.3594 0.3594 0.4283 ( 1854 PWs) bands (ev): -17.7441 -17.7441 -17.7394 -17.7394 -17.0078 -17.0078 -17.0050 -17.0050 -4.2046 -4.2046 -3.6928 -3.6928 -2.6758 -2.6758 -2.1869 -2.1869 -1.4470 -1.4470 -0.9727 -0.9727 0.0785 0.0785 0.2104 0.2104 2.5903 2.5903 2.8144 2.8144 3.5505 3.5505 3.7381 3.7381 10.8695 10.8695 11.0146 11.0146 12.2779 12.2779 12.2944 12.2944 k = 0.3516 0.3516 0.4283 ( 1854 PWs) bands (ev): -17.7552 -17.7552 -17.7502 -17.7502 -16.9999 -16.9999 -16.9969 -16.9969 -4.2077 -4.2077 -3.6570 -3.6570 -2.6417 -2.6417 -2.1178 -2.1178 -1.4884 -1.4884 -0.9719 -0.9719 0.0712 0.0712 0.2103 0.2103 2.5671 2.5671 2.8110 2.8110 3.4940 3.4940 3.7005 3.7005 10.8856 10.8856 11.0346 11.0346 12.2708 12.2708 12.2802 12.2802 k = 0.3438 0.3437 0.4283 ( 1854 PWs) bands (ev): -17.7666 -17.7666 -17.7614 -17.7614 -16.9916 -16.9916 -16.9885 -16.9885 -4.2092 -4.2092 -3.6202 -3.6202 -2.6059 -2.6059 -2.0480 -2.0480 -1.5298 -1.5298 -0.9710 -0.9710 0.0638 0.0638 0.2092 0.2092 2.5437 2.5437 2.8071 2.8071 3.4356 3.4356 3.6614 3.6614 10.9023 10.9023 11.0530 11.0530 12.2561 12.2561 12.2741 12.2741 k = 0.3359 0.3359 0.4283 ( 1864 PWs) bands (ev): -17.7784 -17.7784 -17.7730 -17.7730 -16.9830 -16.9830 -16.9798 -16.9798 -4.2091 -4.2091 -3.5826 -3.5826 -2.5684 -2.5684 -1.9778 -1.9778 -1.5710 -1.5710 -0.9698 -0.9698 0.0562 0.0562 0.2073 0.2073 2.5201 2.5201 2.8028 2.8028 3.3753 3.3753 3.6211 3.6211 10.9195 10.9195 11.0696 11.0696 12.2369 12.2369 12.2729 12.2729 k = 0.3281 0.3281 0.4283 ( 1866 PWs) bands (ev): -17.7904 -17.7904 -17.7848 -17.7848 -16.9741 -16.9741 -16.9708 -16.9708 -4.2074 -4.2074 -3.5445 -3.5445 -2.5293 -2.5293 -1.9074 -1.9074 -1.6118 -1.6118 -0.9685 -0.9685 0.0486 0.0486 0.2043 0.2043 2.4966 2.4966 2.7978 2.7978 3.3135 3.3135 3.5796 3.5796 10.9372 10.9372 11.0841 11.0841 12.2160 12.2160 12.2743 12.2743 k = 0.3203 0.3203 0.4283 ( 1862 PWs) bands (ev): -17.8027 -17.8027 -17.7969 -17.7969 -16.9650 -16.9650 -16.9617 -16.9617 -4.2041 -4.2041 -3.5059 -3.5059 -2.4884 -2.4884 -1.8370 -1.8370 -1.6518 -1.6518 -0.9669 -0.9669 0.0410 0.0410 0.2005 0.2005 2.4732 2.4732 2.7923 2.7923 3.2501 3.2501 3.5371 3.5371 10.9554 10.9554 11.0965 11.0965 12.1936 12.1936 12.2777 12.2777 k = 0.3125 0.3125 0.4283 ( 1866 PWs) bands (ev): -17.8152 -17.8152 -17.8093 -17.8093 -16.9556 -16.9556 -16.9523 -16.9523 -4.1991 -4.1991 -3.4672 -3.4672 -2.4460 -2.4460 -1.7671 -1.7671 -1.6908 -1.6908 -0.9651 -0.9651 0.0334 0.0334 0.1956 0.1956 2.4502 2.4502 2.7860 2.7860 3.1854 3.1854 3.4936 3.4936 10.9740 10.9740 11.1067 11.1067 12.1698 12.1698 12.2831 12.2831 k = 0.3047 0.3047 0.4283 ( 1862 PWs) bands (ev): -17.8279 -17.8279 -17.8219 -17.8219 -16.9460 -16.9460 -16.9427 -16.9427 -4.1925 -4.1925 -3.4288 -3.4288 -2.4019 -2.4019 -1.7285 -1.7285 -1.6975 -1.6975 -0.9630 -0.9630 0.0260 0.0260 0.1898 0.1898 2.4277 2.4277 2.7788 2.7788 3.1196 3.1196 3.4495 3.4495 10.9930 10.9930 11.1147 11.1147 12.1448 12.1448 12.2901 12.2901 k = 0.2969 0.2969 0.4283 ( 1862 PWs) bands (ev): -17.8408 -17.8408 -17.8347 -17.8347 -16.9363 -16.9363 -16.9330 -16.9330 -4.1843 -4.1843 -3.3908 -3.3908 -2.3563 -2.3563 -1.7643 -1.7643 -1.6291 -1.6291 -0.9607 -0.9607 0.0187 0.0187 0.1830 0.1830 2.4059 2.4059 2.7706 2.7706 3.0527 3.0527 3.4048 3.4048 11.0123 11.0123 11.1207 11.1207 12.1185 12.1185 12.2985 12.2985 k = 0.2891 0.2891 0.4283 ( 1858 PWs) bands (ev): -17.8538 -17.8538 -17.8477 -17.8477 -16.9263 -16.9263 -16.9230 -16.9230 -4.1746 -4.1746 -3.3537 -3.3537 -2.3091 -2.3091 -1.7979 -1.7979 -1.5619 -1.5619 -0.9581 -0.9581 0.0116 0.0116 0.1753 0.1753 2.3850 2.3850 2.7611 2.7611 2.9850 2.9850 3.3598 3.3598 11.0318 11.0318 11.1248 11.1248 12.0911 12.0911 12.3080 12.3080 k = 0.2812 0.2812 0.4283 ( 1856 PWs) bands (ev): -17.8669 -17.8669 -17.8607 -17.8607 -16.9162 -16.9162 -16.9130 -16.9130 -4.1633 -4.1633 -3.3180 -3.3180 -2.2604 -2.2604 -1.8290 -1.8290 -1.4962 -1.4962 -0.9551 -0.9551 0.0049 0.0049 0.1666 0.1666 2.3651 2.3651 2.7502 2.7502 2.9165 2.9165 3.3148 3.3148 11.0516 11.0516 11.1272 11.1272 12.0626 12.0626 12.3180 12.3180 k = 0.2734 0.2734 0.4283 ( 1860 PWs) bands (ev): -17.8800 -17.8800 -17.8739 -17.8739 -16.9060 -16.9060 -16.9028 -16.9028 -4.1505 -4.1505 -3.2840 -3.2840 -2.2102 -2.2102 -1.8570 -1.8570 -1.4322 -1.4322 -0.9519 -0.9519 -0.0015 -0.0015 0.1569 0.1569 2.3465 2.3465 2.7374 2.7374 2.8476 2.8476 3.2702 3.2702 11.0714 11.0714 11.1281 11.1281 12.0330 12.0330 12.3282 12.3282 k = 0.2656 0.2656 0.4283 ( 1860 PWs) bands (ev): -17.8932 -17.8932 -17.8871 -17.8871 -16.8957 -16.8957 -16.8926 -16.8926 -4.1362 -4.1362 -3.2522 -3.2522 -2.1586 -2.1586 -1.8814 -1.8814 -1.3705 -1.3705 -0.9483 -0.9483 -0.0074 -0.0074 0.1464 0.1464 2.3294 2.3294 2.7221 2.7221 2.7787 2.7787 3.2263 3.2263 11.0912 11.0912 11.1280 11.1280 12.0025 12.0025 12.3380 12.3380 k = 0.2578 0.2578 0.4283 ( 1856 PWs) bands (ev): -17.9064 -17.9064 -17.9003 -17.9003 -16.8853 -16.8853 -16.8823 -16.8823 -4.1206 -4.1206 -3.2232 -3.2232 -2.1055 -2.1055 -1.9018 -1.9018 -1.3111 -1.3111 -0.9444 -0.9444 -0.0129 -0.0129 0.1348 0.1348 2.3140 2.3140 2.6981 2.6981 2.7157 2.7157 3.1836 3.1836 11.1101 11.1101 11.1277 11.1277 11.9713 11.9713 12.3470 12.3470 k = 0.2500 0.2500 0.4283 ( 1852 PWs) bands (ev): -17.9195 -17.9195 -17.9136 -17.9136 -16.8749 -16.8749 -16.8719 -16.8719 -4.1036 -4.1036 -3.1974 -3.1974 -2.0511 -2.0511 -1.9176 -1.9176 -1.2545 -1.2545 -0.9401 -0.9401 -0.0179 -0.0179 0.1224 0.1224 2.3004 2.3004 2.6359 2.6359 2.6878 2.6878 3.1426 3.1426 11.1205 11.1205 11.1353 11.1353 11.9393 11.9393 12.3546 12.3546 k = 0.2422 0.2422 0.4283 ( 1852 PWs) bands (ev): -17.9326 -17.9326 -17.9268 -17.9268 -16.8645 -16.8645 -16.8616 -16.8616 -4.0853 -4.0853 -3.1753 -3.1753 -1.9954 -1.9954 -1.9284 -1.9284 -1.2009 -1.2009 -0.9354 -0.9354 -0.0224 -0.0224 0.1091 0.1091 2.2890 2.2890 2.5666 2.5666 2.6635 2.6635 3.1038 3.1038 11.1194 11.1194 11.1537 11.1537 11.9067 11.9067 12.3604 12.3604 k = 0.2344 0.2344 0.4283 ( 1848 PWs) bands (ev): -17.9455 -17.9455 -17.9399 -17.9399 -16.8540 -16.8540 -16.8512 -16.8512 -4.0658 -4.0658 -3.1574 -3.1574 -1.9395 -1.9395 -1.9325 -1.9325 -1.1506 -1.1506 -0.9304 -0.9304 -0.0265 -0.0265 0.0949 0.0949 2.2798 2.2798 2.4969 2.4969 2.6357 2.6357 3.0679 3.0679 11.1167 11.1167 11.1735 11.1735 11.8736 11.8736 12.3638 12.3638 k = 0.2266 0.2266 0.4283 ( 1852 PWs) bands (ev): -17.9584 -17.9584 -17.9529 -17.9529 -16.8436 -16.8436 -16.8409 -16.8409 -4.0451 -4.0451 -3.1439 -3.1439 -1.9336 -1.9336 -1.8798 -1.8798 -1.1037 -1.1037 -0.9250 -0.9250 -0.0301 -0.0301 0.0798 0.0798 2.2732 2.2732 2.4273 2.4273 2.6038 2.6038 3.0351 3.0351 11.1136 11.1136 11.1933 11.1933 11.8401 11.8401 12.3644 12.3644 k = 0.2188 0.2187 0.4283 ( 1856 PWs) bands (ev): -17.9711 -17.9711 -17.9658 -17.9658 -16.8332 -16.8332 -16.8307 -16.8307 -4.0234 -4.0234 -3.1349 -3.1349 -1.9273 -1.9273 -1.8204 -1.8204 -1.0604 -1.0604 -0.9191 -0.9191 -0.0333 -0.0333 0.0638 0.0638 2.2693 2.2693 2.3581 2.3581 2.5675 2.5675 3.0057 3.0057 11.1104 11.1104 11.2130 11.2130 11.8064 11.8064 12.3618 12.3618 k = 0.2109 0.2109 0.4283 ( 1860 PWs) bands (ev): -17.9837 -17.9837 -17.9785 -17.9785 -16.8229 -16.8229 -16.8205 -16.8205 -4.0007 -4.0007 -3.1306 -3.1306 -1.9151 -1.9151 -1.7598 -1.7598 -1.0208 -1.0208 -0.9129 -0.9129 -0.0364 -0.0364 0.0470 0.0470 2.2680 2.2680 2.2896 2.2896 2.5269 2.5269 2.9797 2.9797 11.1075 11.1075 11.2325 11.2325 11.7726 11.7726 12.3556 12.3556 k = 0.2031 0.2031 0.4283 ( 1856 PWs) bands (ev): -17.9960 -17.9960 -17.9911 -17.9911 -16.8126 -16.8126 -16.8104 -16.8104 -3.9771 -3.9771 -3.1305 -3.1305 -1.8974 -1.8974 -1.6982 -1.6982 -0.9850 -0.9850 -0.9063 -0.9063 -0.0393 -0.0393 0.0294 0.0294 2.2213 2.2213 2.2702 2.2702 2.4822 2.4822 2.9569 2.9569 11.1049 11.1049 11.2518 11.2518 11.7388 11.7388 12.3456 12.3456 k = 0.1953 0.1953 0.4283 ( 1856 PWs) bands (ev): -18.0081 -18.0081 -18.0034 -18.0034 -16.8026 -16.8026 -16.8004 -16.8004 -3.9527 -3.9527 -3.1346 -3.1346 -1.8743 -1.8743 -1.6355 -1.6355 -0.9530 -0.9530 -0.8992 -0.8992 -0.0423 -0.0423 0.0109 0.0109 2.1541 2.1541 2.2750 2.2750 2.4339 2.4339 2.9370 2.9370 11.1027 11.1027 11.2707 11.2707 11.7051 11.7051 12.3316 12.3316 k = 0.1875 0.1875 0.4283 ( 1860 PWs) bands (ev): -18.0199 -18.0199 -18.0154 -18.0154 -16.7926 -16.7926 -16.7906 -16.7906 -3.9276 -3.9276 -3.1423 -3.1423 -1.8464 -1.8464 -1.5719 -1.5719 -0.9247 -0.9247 -0.8916 -0.8916 -0.0457 -0.0457 -0.0084 -0.0084 2.0878 2.0878 2.2827 2.2827 2.3824 2.3824 2.9196 2.9196 11.1011 11.1011 11.2893 11.2893 11.6716 11.6716 12.3135 12.3135 k = 0.1797 0.1797 0.4283 ( 1856 PWs) bands (ev): -18.0315 -18.0315 -18.0272 -18.0272 -16.7829 -16.7829 -16.7810 -16.7810 -3.9019 -3.9019 -3.1531 -3.1531 -1.8142 -1.8142 -1.5075 -1.5075 -0.9002 -0.9002 -0.8832 -0.8832 -0.0495 -0.0495 -0.0285 -0.0285 2.0227 2.0227 2.2923 2.2923 2.3295 2.3295 2.9043 2.9043 11.1001 11.1001 11.3075 11.3075 11.6385 11.6385 12.2912 12.2912 k = 0.1719 0.1719 0.4283 ( 1848 PWs) bands (ev): -18.0427 -18.0427 -18.0387 -18.0387 -16.7733 -16.7733 -16.7716 -16.7716 -3.8757 -3.8757 -3.1666 -3.1666 -1.7781 -1.7781 -1.4422 -1.4422 -0.8813 -0.8813 -0.8722 -0.8722 -0.0544 -0.0544 -0.0489 -0.0489 1.9587 1.9587 2.2679 2.2679 2.3112 2.3112 2.8908 2.8908 11.0998 11.0998 11.3253 11.3253 11.6060 11.6060 12.2649 12.2649 k = 0.1641 0.1641 0.4283 ( 1848 PWs) bands (ev): -18.0536 -18.0536 -18.0499 -18.0499 -16.7640 -16.7640 -16.7624 -16.7624 -3.8492 -3.8492 -3.1822 -3.1822 -1.7387 -1.7387 -1.3763 -1.3763 -0.8699 -0.8699 -0.8564 -0.8564 -0.0717 -0.0717 -0.0588 -0.0588 1.8960 1.8960 2.2103 2.2103 2.3270 2.3270 2.8787 2.8787 11.1001 11.1001 11.3425 11.3425 11.5741 11.5741 12.2347 12.2347 k = 0.1562 0.1562 0.4283 ( 1852 PWs) bands (ev): -18.0642 -18.0642 -18.0607 -18.0607 -16.7549 -16.7549 -16.7535 -16.7535 -3.8225 -3.8225 -3.1994 -3.1994 -1.6966 -1.6966 -1.3098 -1.3098 -0.8606 -0.8606 -0.8409 -0.8409 -0.0941 -0.0941 -0.0652 -0.0652 1.8348 1.8348 2.1501 2.1501 2.3465 2.3465 2.8679 2.8679 11.1012 11.1012 11.3592 11.3592 11.5429 11.5429 12.2010 12.2010 k = 0.1484 0.1484 0.4283 ( 1856 PWs) bands (ev): -18.0744 -18.0744 -18.0712 -18.0712 -16.7461 -16.7461 -16.7448 -16.7448 -3.7956 -3.7956 -3.2179 -3.2179 -1.6522 -1.6522 -1.2429 -1.2429 -0.8514 -0.8514 -0.8274 -0.8274 -0.1176 -0.1176 -0.0726 -0.0726 1.7753 1.7753 2.0883 2.0883 2.3687 2.3687 2.8581 2.8581 11.1030 11.1030 11.3754 11.3754 11.5125 11.5125 12.1641 12.1641 k = 0.1406 0.1406 0.4283 ( 1856 PWs) bands (ev): -18.0842 -18.0842 -18.0812 -18.0812 -16.7376 -16.7376 -16.7364 -16.7364 -3.7688 -3.7688 -3.2371 -3.2371 -1.6060 -1.6060 -1.1756 -1.1756 -0.8422 -0.8422 -0.8160 -0.8160 -0.1419 -0.1419 -0.0811 -0.0811 1.7175 1.7175 2.0254 2.0254 2.3932 2.3932 2.8491 2.8491 11.1056 11.1056 11.3909 11.3909 11.4831 11.4831 12.1245 12.1245 k = 0.1328 0.1328 0.4283 ( 1868 PWs) bands (ev): -18.0935 -18.0935 -18.0909 -18.0909 -16.7294 -16.7294 -16.7284 -16.7284 -3.7422 -3.7422 -3.2568 -3.2568 -1.5583 -1.5583 -1.1081 -1.1081 -0.8328 -0.8328 -0.8063 -0.8063 -0.1670 -0.1670 -0.0907 -0.0907 1.6615 1.6615 1.9618 1.9618 2.4195 2.4195 2.8409 2.8409 11.1088 11.1088 11.4058 11.4058 11.4547 11.4547 12.0827 12.0827 k = 0.1250 0.1250 0.4283 ( 1868 PWs) bands (ev): -18.1025 -18.1025 -18.1001 -18.1001 -16.7216 -16.7216 -16.7207 -16.7207 -3.7160 -3.7160 -3.2766 -3.2766 -1.5094 -1.5094 -1.0406 -1.0406 -0.8234 -0.8234 -0.7983 -0.7983 -0.1930 -0.1930 -0.1014 -0.1014 1.6077 1.6077 1.8976 1.8976 2.4473 2.4473 2.8334 2.8334 11.1126 11.1126 11.4199 11.4199 11.4275 11.4275 12.0392 12.0392 k = 0.1172 0.1172 0.4283 ( 1866 PWs) bands (ev): -18.1110 -18.1110 -18.1088 -18.1088 -16.7141 -16.7141 -16.7133 -16.7133 -3.6902 -3.6902 -3.2962 -3.2962 -1.4598 -1.4598 -0.9732 -0.9732 -0.8139 -0.8139 -0.7915 -0.7915 -0.2199 -0.2199 -0.1130 -0.1130 1.5560 1.5560 1.8332 1.8332 2.4763 2.4763 2.8265 2.8265 11.1171 11.1171 11.4015 11.4015 11.4334 11.4334 11.9946 11.9946 k = 0.1094 0.1094 0.4283 ( 1866 PWs) bands (ev): -18.1190 -18.1190 -18.1171 -18.1171 -16.7070 -16.7070 -16.7063 -16.7063 -3.6650 -3.6650 -3.3154 -3.3154 -1.4096 -1.4096 -0.9063 -0.9063 -0.8044 -0.8044 -0.7858 -0.7858 -0.2477 -0.2477 -0.1256 -0.1256 1.5067 1.5067 1.7688 1.7688 2.5059 2.5059 2.8201 2.8201 11.1222 11.1222 11.3768 11.3768 11.4461 11.4461 11.9495 11.9495 k = 0.1016 0.1016 0.4283 ( 1862 PWs) bands (ev): -18.1265 -18.1265 -18.1249 -18.1249 -16.7003 -16.7003 -16.6997 -16.6997 -3.6406 -3.6406 -3.3340 -3.3340 -1.3590 -1.3590 -0.8402 -0.8402 -0.7950 -0.7950 -0.7808 -0.7808 -0.2763 -0.2763 -0.1387 -0.1387 1.4599 1.4599 1.7047 1.7047 2.5358 2.5358 2.8142 2.8142 11.1278 11.1278 11.3535 11.3535 11.4581 11.4581 11.9044 11.9044 k = 0.0938 0.0937 0.4283 ( 1866 PWs) bands (ev): -18.1336 -18.1336 -18.1321 -18.1321 -16.6940 -16.6940 -16.6935 -16.6935 -3.6173 -3.6173 -3.3518 -3.3518 -1.3084 -1.3084 -0.7868 -0.7868 -0.7813 -0.7813 -0.7692 -0.7692 -0.3059 -0.3059 -0.1523 -0.1523 1.4156 1.4156 1.6412 1.6412 2.5655 2.5655 2.8088 2.8088 11.1339 11.1339 11.3316 11.3316 11.4693 11.4693 11.8598 11.8598 k = 0.0859 0.0859 0.4283 ( 1870 PWs) bands (ev): -18.1401 -18.1401 -18.1389 -18.1389 -16.6882 -16.6882 -16.6877 -16.6877 -3.5950 -3.5950 -3.3687 -3.3687 -1.2579 -1.2579 -0.7785 -0.7785 -0.7732 -0.7732 -0.7090 -0.7090 -0.3364 -0.3364 -0.1662 -0.1662 1.3742 1.3742 1.5788 1.5788 2.5946 2.5946 2.8038 2.8038 11.1403 11.1403 11.3112 11.3112 11.4796 11.4796 11.8163 11.8163 k = 0.0781 0.0781 0.4283 ( 1866 PWs) bands (ev): -18.1461 -18.1461 -18.1450 -18.1450 -16.6828 -16.6828 -16.6824 -16.6824 -3.5740 -3.5740 -3.3845 -3.3845 -1.2076 -1.2076 -0.7736 -0.7736 -0.7664 -0.7664 -0.6467 -0.6467 -0.3679 -0.3679 -0.1800 -0.1800 1.3357 1.3357 1.5177 1.5177 2.6227 2.6227 2.7993 2.7993 11.1471 11.1471 11.2925 11.2925 11.4891 11.4891 11.7743 11.7743 k = 0.0703 0.0703 0.4283 ( 1866 PWs) bands (ev): -18.1516 -18.1516 -18.1507 -18.1507 -16.6779 -16.6779 -16.6775 -16.6775 -3.5544 -3.5544 -3.3991 -3.3991 -1.1577 -1.1577 -0.7707 -0.7707 -0.7586 -0.7586 -0.5863 -0.5863 -0.4003 -0.4003 -0.1935 -0.1935 1.3003 1.3003 1.4587 1.4587 2.6495 2.6495 2.7952 2.7952 11.1541 11.1541 11.2753 11.2753 11.4978 11.4978 11.7343 11.7343 k = 0.0625 0.0625 0.4283 ( 1866 PWs) bands (ev): -18.1565 -18.1565 -18.1558 -18.1558 -16.6734 -16.6734 -16.6732 -16.6732 -3.5364 -3.5364 -3.4124 -3.4124 -1.1083 -1.1083 -0.7685 -0.7685 -0.7509 -0.7509 -0.5286 -0.5286 -0.4336 -0.4336 -0.2066 -0.2066 1.2682 1.2682 1.4021 1.4021 2.6744 2.6744 2.7916 2.7916 11.1612 11.1612 11.2599 11.2599 11.5056 11.5056 11.6967 11.6967 k = 0.0547 0.0547 0.4283 ( 1866 PWs) bands (ev): -18.1608 -18.1608 -18.1603 -18.1603 -16.6695 -16.6695 -16.6692 -16.6692 -3.5202 -3.5202 -3.4243 -3.4243 -1.0595 -1.0595 -0.7666 -0.7666 -0.7439 -0.7439 -0.4764 -0.4764 -0.4657 -0.4657 -0.2188 -0.2188 1.2394 1.2394 1.3487 1.3487 2.6973 2.6973 2.7884 2.7884 11.1683 11.1683 11.2461 11.2461 11.5125 11.5125 11.6620 11.6620 k = 0.0469 0.0469 0.4283 ( 1870 PWs) bands (ev): -18.1646 -18.1646 -18.1642 -18.1642 -16.6660 -16.6660 -16.6658 -16.6658 -3.5058 -3.5058 -3.4348 -3.4348 -1.0115 -1.0115 -0.7651 -0.7651 -0.7375 -0.7375 -0.5038 -0.5038 -0.4234 -0.4234 -0.2300 -0.2300 1.2141 1.2141 1.2994 1.2994 2.7178 2.7178 2.7856 2.7856 11.1753 11.1753 11.2342 11.2342 11.5185 11.5185 11.6305 11.6305 k = 0.0391 0.0391 0.4283 ( 1872 PWs) bands (ev): -18.1679 -18.1679 -18.1675 -18.1675 -16.6631 -16.6631 -16.6630 -16.6630 -3.4934 -3.4934 -3.4437 -3.4437 -0.9643 -0.9643 -0.7638 -0.7638 -0.7319 -0.7319 -0.5400 -0.5400 -0.3784 -0.3784 -0.2400 -0.2400 1.1925 1.1925 1.2550 1.2550 2.7357 2.7357 2.7832 2.7832 11.1819 11.1819 11.2240 11.2240 11.5236 11.5236 11.6028 11.6028 k = 0.0312 0.0312 0.4283 ( 1868 PWs) bands (ev): -18.1705 -18.1705 -18.1703 -18.1703 -16.6607 -16.6607 -16.6606 -16.6606 -3.4831 -3.4831 -3.4511 -3.4511 -0.9180 -0.9180 -0.7627 -0.7627 -0.7272 -0.7272 -0.5772 -0.5772 -0.3393 -0.3393 -0.2484 -0.2484 1.1746 1.1746 1.2166 1.2166 2.7506 2.7506 2.7813 2.7813 11.1880 11.1880 11.2156 11.2156 11.5277 11.5277 11.5793 11.5793 k = 0.0234 0.0234 0.4283 ( 1868 PWs) bands (ev): -18.1726 -18.1726 -18.1724 -18.1724 -16.6588 -16.6588 -16.6587 -16.6587 -3.4750 -3.4750 -3.4569 -3.4569 -0.8728 -0.8728 -0.7619 -0.7619 -0.7234 -0.7234 -0.6153 -0.6153 -0.3074 -0.3074 -0.2552 -0.2552 1.1606 1.1606 1.1851 1.1851 2.7624 2.7624 2.7798 2.7798 11.1932 11.1932 11.2091 11.2091 11.5310 11.5310 11.5603 11.5603 k = 0.0156 0.0156 0.4283 ( 1872 PWs) bands (ev): -18.1740 -18.1740 -18.1740 -18.1740 -16.6575 -16.6575 -16.6574 -16.6574 -3.4691 -3.4691 -3.4611 -3.4611 -0.8290 -0.8290 -0.7613 -0.7613 -0.7207 -0.7207 -0.6540 -0.6540 -0.2837 -0.2837 -0.2601 -0.2601 1.1506 1.1506 1.1618 1.1618 2.7709 2.7709 2.7787 2.7787 11.1971 11.1971 11.2044 11.2044 11.5333 11.5333 11.5464 11.5464 k = 0.0078 0.0078 0.4283 ( 1872 PWs) bands (ev): -18.1749 -18.1749 -18.1749 -18.1749 -16.6566 -16.6566 -16.6566 -16.6566 -3.4656 -3.4656 -3.4636 -3.4636 -0.7880 -0.7880 -0.7609 -0.7609 -0.7190 -0.7190 -0.6920 -0.6920 -0.2691 -0.2691 -0.2632 -0.2632 1.1445 1.1445 1.1473 1.1473 2.7761 2.7761 2.7781 2.7781 11.1997 11.1997 11.2016 11.2016 11.5347 11.5347 11.5379 11.5379 k = 0.0000 0.0000 0.4283 ( 1872 PWs) bands (ev): -18.1752 -18.1752 -18.1752 -18.1752 -16.6564 -16.6564 -16.6564 -16.6564 -3.4644 -3.4644 -3.4644 -3.4644 -0.7615 -0.7615 -0.7615 -0.7615 -0.7176 -0.7176 -0.7176 -0.7176 -0.2642 -0.2642 -0.2641 -0.2641 1.1425 1.1425 1.1425 1.1425 2.7778 2.7778 2.7778 2.7778 11.2006 11.2006 11.2006 11.2006 11.5350 11.5350 11.5352 11.5352 k = 0.0000 0.5000-0.0000 ( 1870 PWs) bands (ev): -17.9939 -17.9939 -17.9939 -17.9939 -16.8068 -16.8068 -16.8068 -16.8068 -2.5637 -2.5637 -2.5637 -2.5637 -2.2548 -2.2548 -2.2548 -2.2548 -1.7840 -1.7840 -1.7839 -1.7839 -0.1748 -0.1748 -0.1748 -0.1748 2.3865 2.3865 2.3865 2.3865 2.8677 2.8677 2.8677 2.8677 11.7290 11.7290 11.7290 11.7290 11.8456 11.8456 11.8458 11.8458 k = 0.0000 0.5000 0.0110 ( 1874 PWs) bands (ev): -17.9937 -17.9937 -17.9937 -17.9937 -16.8070 -16.8070 -16.8070 -16.8070 -2.5677 -2.5677 -2.5672 -2.5672 -2.2577 -2.2577 -2.2566 -2.2566 -1.7767 -1.7767 -1.7762 -1.7762 -0.1756 -0.1756 -0.1755 -0.1755 2.3837 2.3837 2.3855 2.3855 2.8680 2.8680 2.8698 2.8698 11.7245 11.7245 11.7278 11.7278 11.8474 11.8474 11.8505 11.8505 k = 0.0000 0.5000 0.0220 ( 1874 PWs) bands (ev): -17.9932 -17.9932 -17.9931 -17.9931 -16.8076 -16.8076 -16.8076 -16.8076 -2.5793 -2.5793 -2.5784 -2.5784 -2.2644 -2.2644 -2.2624 -2.2624 -1.7554 -1.7554 -1.7544 -1.7544 -0.1779 -0.1779 -0.1776 -0.1776 2.3773 2.3773 2.3809 2.3809 2.8709 2.8709 2.8744 2.8744 11.7156 11.7156 11.7214 11.7214 11.8553 11.8553 11.8608 11.8608 k = 0.0000 0.5000 0.0329 ( 1866 PWs) bands (ev): -17.9922 -17.9922 -17.9922 -17.9922 -16.8086 -16.8086 -16.8085 -16.8085 -2.5982 -2.5982 -2.5970 -2.5970 -2.2727 -2.2727 -2.2701 -2.2701 -1.7221 -1.7221 -1.7208 -1.7208 -0.1816 -0.1816 -0.1812 -0.1812 2.3675 2.3675 2.3727 2.3727 2.8761 2.8761 2.8812 2.8812 11.7038 11.7038 11.7112 11.7112 11.8679 11.8679 11.8748 11.8748 k = 0.0000 0.5000 0.0439 ( 1866 PWs) bands (ev): -17.9909 -17.9909 -17.9909 -17.9909 -16.8099 -16.8099 -16.8099 -16.8099 -2.6239 -2.6239 -2.6227 -2.6227 -2.2805 -2.2805 -2.2777 -2.2777 -1.6795 -1.6795 -1.6781 -1.6781 -0.1868 -0.1868 -0.1862 -0.1862 2.3545 2.3545 2.3612 2.3612 2.8833 2.8833 2.8899 2.8899 11.6905 11.6905 11.6989 11.6989 11.8835 11.8835 11.8913 11.8913 k = 0.0000 0.5000 0.0549 ( 1872 PWs) bands (ev): -17.9893 -17.9893 -17.9892 -17.9892 -16.8117 -16.8117 -16.8116 -16.8116 -2.6556 -2.6556 -2.6544 -2.6544 -2.2865 -2.2865 -2.2836 -2.2836 -1.6299 -1.6299 -1.6285 -1.6285 -0.1934 -0.1934 -0.1926 -0.1926 2.3386 2.3386 2.3466 2.3466 2.8924 2.8924 2.9001 2.9001 11.6763 11.6763 11.6854 11.6854 11.9012 11.9012 11.9096 11.9096 k = 0.0000 0.5000 0.0659 ( 1880 PWs) bands (ev): -17.9873 -17.9873 -17.9872 -17.9872 -16.8138 -16.8138 -16.8138 -16.8138 -2.6923 -2.6923 -2.6912 -2.6912 -2.2901 -2.2901 -2.2873 -2.2873 -1.5751 -1.5751 -1.5737 -1.5737 -0.2013 -0.2013 -0.2004 -0.2004 2.3203 2.3203 2.3294 2.3294 2.9029 2.9029 2.9118 2.9118 11.6618 11.6618 11.6714 11.6714 11.9203 11.9203 11.9290 11.9290 k = 0.0000 0.5000 0.0769 ( 1880 PWs) bands (ev): -17.9849 -17.9849 -17.9848 -17.9848 -16.8163 -16.8163 -16.8162 -16.8162 -2.7326 -2.7326 -2.7317 -2.7317 -2.2913 -2.2913 -2.2886 -2.2886 -1.5164 -1.5164 -1.5151 -1.5151 -0.2106 -0.2106 -0.2095 -0.2095 2.2998 2.2998 2.3098 2.3098 2.9146 2.9146 2.9244 2.9244 11.6472 11.6472 11.6571 11.6571 11.9405 11.9405 11.9494 11.9494 k = 0.0000 0.5000 0.0879 ( 1876 PWs) bands (ev): -17.9822 -17.9822 -17.9821 -17.9821 -16.8191 -16.8191 -16.8190 -16.8190 -2.7755 -2.7755 -2.7749 -2.7749 -2.2902 -2.2902 -2.2878 -2.2878 -1.4548 -1.4548 -1.4536 -1.4536 -0.2212 -0.2212 -0.2199 -0.2199 2.2773 2.2773 2.2881 2.2881 2.9272 2.9272 2.9377 2.9377 11.6327 11.6327 11.6428 11.6428 11.9616 11.9616 11.9705 11.9705 k = 0.0000 0.5000 0.0988 ( 1872 PWs) bands (ev): -17.9792 -17.9792 -17.9791 -17.9791 -16.8222 -16.8222 -16.8222 -16.8222 -2.8202 -2.8202 -2.8197 -2.8197 -2.2872 -2.2872 -2.2850 -2.2850 -1.3910 -1.3910 -1.3899 -1.3899 -0.2330 -0.2330 -0.2315 -0.2315 2.2531 2.2531 2.2646 2.2646 2.9404 2.9404 2.9516 2.9516 11.6183 11.6183 11.6287 11.6287 11.9833 11.9833 11.9923 11.9923 k = 0.0000 0.5000 0.1098 ( 1872 PWs) bands (ev): -17.9758 -17.9758 -17.9758 -17.9758 -16.8257 -16.8257 -16.8256 -16.8256 -2.8658 -2.8658 -2.8655 -2.8655 -2.2825 -2.2825 -2.2806 -2.2806 -1.3255 -1.3255 -1.3246 -1.3246 -0.2459 -0.2459 -0.2443 -0.2443 2.2275 2.2275 2.2395 2.2395 2.9540 2.9540 2.9657 2.9657 11.6041 11.6041 11.6147 11.6147 12.0055 12.0055 12.0146 12.0146 k = 0.0000 0.5000 0.1208 ( 1868 PWs) bands (ev): -17.9722 -17.9722 -17.9721 -17.9721 -16.8295 -16.8295 -16.8294 -16.8294 -2.9119 -2.9119 -2.9118 -2.9118 -2.2763 -2.2763 -2.2747 -2.2747 -1.2588 -1.2588 -1.2581 -1.2581 -0.2600 -0.2600 -0.2582 -0.2582 2.2005 2.2005 2.2130 2.2130 2.9679 2.9679 2.9800 2.9800 11.5903 11.5903 11.6010 11.6010 12.0282 12.0282 12.0373 12.0373 k = 0.0000 0.5000 0.1318 ( 1872 PWs) bands (ev): -17.9683 -17.9683 -17.9683 -17.9683 -16.8335 -16.8335 -16.8335 -16.8335 -2.9579 -2.9579 -2.9579 -2.9579 -2.2689 -2.2689 -2.2676 -2.2676 -1.1912 -1.1912 -1.1907 -1.1907 -0.2751 -0.2751 -0.2730 -0.2730 2.1724 2.1724 2.1853 2.1853 2.9817 2.9817 2.9942 2.9942 11.5767 11.5767 11.5875 11.5875 12.0513 12.0513 12.0604 12.0604 k = 0.0000 0.5000 0.1428 ( 1872 PWs) bands (ev): -17.9642 -17.9642 -17.9641 -17.9641 -16.8378 -16.8378 -16.8378 -16.8378 -3.0037 -3.0037 -3.0035 -3.0035 -2.2604 -2.2604 -2.2593 -2.2593 -1.1231 -1.1231 -1.1228 -1.1228 -0.2910 -0.2910 -0.2888 -0.2888 2.1433 2.1433 2.1565 2.1565 2.9955 2.9955 3.0083 3.0083 11.5634 11.5634 11.5744 11.5744 12.0747 12.0747 12.0837 12.0837 k = 0.0000 0.5000 0.1538 ( 1872 PWs) bands (ev): -17.9598 -17.9598 -17.9597 -17.9597 -16.8424 -16.8424 -16.8424 -16.8424 -3.0488 -3.0488 -3.0484 -3.0484 -2.2509 -2.2509 -2.2500 -2.2500 -1.0546 -1.0546 -1.0546 -1.0546 -0.3078 -0.3078 -0.3053 -0.3053 2.1133 2.1133 2.1268 2.1268 3.0091 3.0091 3.0222 3.0222 11.5505 11.5505 11.5615 11.5615 12.0982 12.0982 12.1073 12.1073 k = 0.0000 0.5000 0.1647 ( 1872 PWs) bands (ev): -17.9552 -17.9552 -17.9551 -17.9551 -16.8472 -16.8472 -16.8471 -16.8471 -3.0930 -3.0930 -3.0925 -3.0925 -2.2406 -2.2406 -2.2399 -2.2399 -0.9864 -0.9864 -0.9860 -0.9860 -0.3253 -0.3253 -0.3225 -0.3225 2.0825 2.0825 2.0961 2.0961 3.0225 3.0225 3.0357 3.0357 11.5379 11.5379 11.5491 11.5491 12.1220 12.1220 12.1310 12.1310 k = 0.0000 0.5000 0.1757 ( 1868 PWs) bands (ev): -17.9504 -17.9504 -17.9503 -17.9503 -16.8521 -16.8521 -16.8521 -16.8521 -3.1361 -3.1361 -3.1355 -3.1355 -2.2295 -2.2295 -2.2289 -2.2289 -0.9184 -0.9184 -0.9177 -0.9177 -0.3433 -0.3433 -0.3401 -0.3401 2.0509 2.0509 2.0648 2.0648 3.0355 3.0355 3.0489 3.0489 11.5257 11.5257 11.5370 11.5370 12.1458 12.1458 12.1548 12.1548 k = 0.0000 0.5000 0.1867 ( 1864 PWs) bands (ev): -17.9455 -17.9455 -17.9454 -17.9454 -16.8573 -16.8573 -16.8572 -16.8572 -3.1780 -3.1780 -3.1773 -3.1773 -2.2177 -2.2177 -2.2173 -2.2173 -0.8511 -0.8511 -0.8499 -0.8499 -0.3615 -0.3615 -0.3579 -0.3579 2.0187 2.0187 2.0328 2.0328 3.0481 3.0481 3.0617 3.0617 11.5138 11.5138 11.5252 11.5252 12.1696 12.1696 12.1786 12.1786 k = 0.0000 0.5000 0.1977 ( 1864 PWs) bands (ev): -17.9404 -17.9404 -17.9403 -17.9403 -16.8626 -16.8626 -16.8625 -16.8625 -3.2186 -3.2186 -3.2178 -3.2178 -2.2053 -2.2053 -2.2051 -2.2051 -0.7849 -0.7849 -0.7830 -0.7830 -0.3798 -0.3798 -0.3755 -0.3755 1.9860 1.9860 2.0001 2.0001 3.0603 3.0603 3.0740 3.0740 11.5024 11.5024 11.5139 11.5139 12.1933 12.1933 12.2023 12.2023 k = 0.0000 0.5000 0.2087 ( 1864 PWs) bands (ev): -17.9353 -17.9353 -17.9351 -17.9351 -16.8679 -16.8679 -16.8679 -16.8679 -3.2577 -3.2577 -3.2568 -3.2568 -2.1925 -2.1925 -2.1924 -2.1924 -0.7204 -0.7204 -0.7176 -0.7176 -0.3974 -0.3974 -0.3922 -0.3922 1.9527 1.9527 1.9670 1.9670 3.0720 3.0720 3.0858 3.0858 11.4913 11.4913 11.5029 11.5029 12.2168 12.2168 12.2258 12.2258 k = 0.0000 0.5000 0.2197 ( 1874 PWs) bands (ev): -17.9300 -17.9300 -17.9299 -17.9299 -16.8734 -16.8734 -16.8733 -16.8733 -3.2953 -3.2953 -3.2944 -3.2944 -2.1793 -2.1793 -2.1791 -2.1791 -0.6591 -0.6591 -0.6550 -0.6550 -0.4133 -0.4133 -0.4068 -0.4068 1.9191 1.9191 1.9335 1.9335 3.0831 3.0831 3.0970 3.0970 11.4807 11.4807 11.4923 11.4923 12.2400 12.2400 12.2489 12.2489 k = 0.0000 0.5000 0.2306 ( 1870 PWs) bands (ev): -17.9248 -17.9248 -17.9246 -17.9246 -16.8789 -16.8789 -16.8788 -16.8788 -3.3313 -3.3313 -3.3303 -3.3303 -2.1658 -2.1658 -2.1655 -2.1655 -0.6042 -0.6042 -0.5980 -0.5980 -0.4246 -0.4246 -0.4160 -0.4160 1.8852 1.8852 1.8996 1.8996 3.0938 3.0938 3.1077 3.1077 11.4705 11.4705 11.4822 11.4822 12.2628 12.2628 12.2718 12.2718 k = 0.0000 0.5000 0.2416 ( 1868 PWs) bands (ev): -17.9195 -17.9195 -17.9193 -17.9193 -16.8843 -16.8843 -16.8843 -16.8843 -3.3656 -3.3656 -3.3646 -3.3646 -2.1521 -2.1521 -2.1516 -2.1516 -0.5631 -0.5631 -0.5547 -0.5547 -0.4233 -0.4233 -0.4125 -0.4125 1.8510 1.8510 1.8656 1.8656 3.1039 3.1039 3.1179 3.1179 11.4607 11.4607 11.4725 11.4725 12.2852 12.2852 12.2941 12.2941 k = 0.0000 0.5000 0.2526 ( 1876 PWs) bands (ev): -17.9142 -17.9142 -17.9141 -17.9141 -16.8898 -16.8898 -16.8898 -16.8898 -3.3983 -3.3983 -3.3971 -3.3971 -2.1382 -2.1382 -2.1376 -2.1376 -0.5450 -0.5450 -0.5370 -0.5370 -0.3975 -0.3975 -0.3872 -0.3872 1.8167 1.8167 1.8313 1.8313 3.1133 3.1133 3.1274 3.1274 11.4514 11.4514 11.4632 11.4632 12.3070 12.3070 12.3159 12.3159 k = 0.0000 0.5000 0.2636 ( 1876 PWs) bands (ev): -17.9090 -17.9090 -17.9089 -17.9089 -16.8952 -16.8952 -16.8951 -16.8951 -3.4291 -3.4291 -3.4279 -3.4279 -2.1243 -2.1243 -2.1236 -2.1236 -0.5467 -0.5467 -0.5409 -0.5409 -0.3513 -0.3513 -0.3432 -0.3432 1.7824 1.7824 1.7971 1.7971 3.1223 3.1223 3.1364 3.1364 11.4425 11.4425 11.4544 11.4544 12.3281 12.3281 12.3371 12.3371 k = 0.0000 0.5000 0.2746 ( 1876 PWs) bands (ev): -17.9040 -17.9040 -17.9038 -17.9038 -16.9005 -16.9005 -16.9004 -16.9004 -3.4581 -3.4581 -3.4569 -3.4569 -2.1104 -2.1104 -2.1096 -2.1096 -0.5579 -0.5579 -0.5538 -0.5538 -0.2973 -0.2973 -0.2910 -0.2910 1.7482 1.7482 1.7629 1.7629 3.1306 3.1306 3.1447 3.1447 11.4341 11.4341 11.4461 11.4461 12.3485 12.3485 12.3575 12.3575 k = 0.0000 0.5000 0.2856 ( 1876 PWs) bands (ev): -17.8990 -17.8990 -17.8989 -17.8989 -16.9056 -16.9056 -16.9056 -16.9056 -3.4853 -3.4853 -3.4841 -3.4841 -2.0967 -2.0967 -2.0957 -2.0957 -0.5728 -0.5728 -0.5699 -0.5699 -0.2416 -0.2416 -0.2363 -0.2363 1.7142 1.7142 1.7290 1.7290 3.1383 3.1383 3.1525 3.1525 11.4262 11.4262 11.4383 11.4383 12.3681 12.3681 12.3770 12.3770 k = 0.0000 0.5000 0.2965 ( 1868 PWs) bands (ev): -17.8942 -17.8942 -17.8941 -17.8941 -16.9105 -16.9105 -16.9105 -16.9105 -3.5106 -3.5106 -3.5093 -3.5093 -2.0832 -2.0832 -2.0822 -2.0822 -0.5892 -0.5892 -0.5869 -0.5869 -0.1862 -0.1862 -0.1817 -0.1817 1.6807 1.6807 1.6956 1.6956 3.1455 3.1455 3.1597 3.1597 11.4189 11.4189 11.4310 11.4310 12.3866 12.3866 12.3955 12.3955 k = 0.0000 0.5000 0.3075 ( 1868 PWs) bands (ev): -17.8897 -17.8897 -17.8895 -17.8895 -16.9153 -16.9153 -16.9152 -16.9152 -3.5340 -3.5340 -3.5326 -3.5326 -2.0702 -2.0702 -2.0690 -2.0690 -0.6058 -0.6058 -0.6041 -0.6041 -0.1324 -0.1324 -0.1282 -0.1282 1.6478 1.6478 1.6628 1.6628 3.1520 3.1520 3.1662 3.1662 11.4120 11.4120 11.4242 11.4242 12.4041 12.4041 12.4131 12.4131 k = 0.0000 0.5000 0.3185 ( 1870 PWs) bands (ev): -17.8854 -17.8854 -17.8852 -17.8852 -16.9197 -16.9197 -16.9197 -16.9197 -3.5554 -3.5554 -3.5540 -3.5540 -2.0577 -2.0577 -2.0564 -2.0564 -0.6222 -0.6222 -0.6208 -0.6208 -0.0806 -0.0806 -0.0768 -0.0768 1.6158 1.6158 1.6309 1.6309 3.1580 3.1580 3.1722 3.1722 11.4057 11.4057 11.4179 11.4179 12.4205 12.4205 12.4294 12.4294 k = 0.0000 0.5000 0.3295 ( 1870 PWs) bands (ev): -17.8813 -17.8813 -17.8812 -17.8812 -16.9239 -16.9239 -16.9239 -16.9239 -3.5748 -3.5748 -3.5734 -3.5734 -2.0458 -2.0458 -2.0445 -2.0445 -0.6379 -0.6379 -0.6368 -0.6368 -0.0315 -0.0315 -0.0279 -0.0279 1.5849 1.5849 1.6001 1.6001 3.1634 3.1634 3.1776 3.1776 11.3999 11.3999 11.4122 11.4122 12.4356 12.4356 12.4445 12.4445 k = 0.0000 0.5000 0.3405 ( 1862 PWs) bands (ev): -17.8776 -17.8776 -17.8775 -17.8775 -16.9278 -16.9278 -16.9277 -16.9277 -3.5923 -3.5923 -3.5909 -3.5909 -2.0348 -2.0348 -2.0333 -2.0333 -0.6526 -0.6526 -0.6517 -0.6517 0.0145 0.0145 0.0179 0.0179 1.5555 1.5555 1.5708 1.5708 3.1682 3.1682 3.1824 3.1824 11.3948 11.3948 11.4070 11.4070 12.4494 12.4494 12.4583 12.4583 k = 0.0000 0.5000 0.3515 ( 1866 PWs) bands (ev): -17.8743 -17.8743 -17.8741 -17.8741 -16.9312 -16.9312 -16.9312 -16.9312 -3.6077 -3.6077 -3.6063 -3.6063 -2.0246 -2.0246 -2.0231 -2.0231 -0.6662 -0.6662 -0.6654 -0.6654 0.0568 0.0568 0.0602 0.0602 1.5280 1.5280 1.5434 1.5434 3.1724 3.1724 3.1866 3.1866 11.3901 11.3901 11.4024 11.4024 12.4618 12.4618 12.4707 12.4707 k = 0.0000 0.5000 0.3624 ( 1860 PWs) bands (ev): -17.8713 -17.8713 -17.8711 -17.8711 -16.9343 -16.9343 -16.9343 -16.9343 -3.6211 -3.6211 -3.6197 -3.6197 -2.0155 -2.0155 -2.0139 -2.0139 -0.6783 -0.6783 -0.6776 -0.6776 0.0950 0.0950 0.0984 0.0984 1.5027 1.5027 1.5182 1.5182 3.1760 3.1760 3.1903 3.1903 11.3861 11.3861 11.3985 11.3985 12.4727 12.4727 12.4816 12.4816 k = 0.0000 0.5000 0.3734 ( 1856 PWs) bands (ev): -17.8687 -17.8687 -17.8686 -17.8686 -16.9369 -16.9369 -16.9369 -16.9369 -3.6325 -3.6325 -3.6310 -3.6310 -2.0076 -2.0076 -2.0059 -2.0059 -0.6889 -0.6889 -0.6883 -0.6883 0.1286 0.1286 0.1320 0.1320 1.4801 1.4801 1.4958 1.4958 3.1791 3.1791 3.1933 3.1933 11.3827 11.3827 11.3951 11.3951 12.4820 12.4820 12.4909 12.4909 k = 0.0000 0.5000 0.3844 ( 1858 PWs) bands (ev): -17.8666 -17.8666 -17.8664 -17.8664 -16.9392 -16.9392 -16.9391 -16.9391 -3.6418 -3.6418 -3.6403 -3.6403 -2.0009 -2.0009 -1.9992 -1.9992 -0.6978 -0.6978 -0.6972 -0.6972 0.1571 0.1571 0.1605 0.1605 1.4608 1.4608 1.4766 1.4766 3.1815 3.1815 3.1958 3.1958 11.3799 11.3799 11.3923 11.3923 12.4897 12.4897 12.4986 12.4986 k = 0.0000 0.5000 0.3954 ( 1858 PWs) bands (ev): -17.8649 -17.8649 -17.8647 -17.8647 -16.9409 -16.9409 -16.9409 -16.9409 -3.6491 -3.6491 -3.6476 -3.6476 -1.9956 -1.9956 -1.9938 -1.9938 -0.7048 -0.7048 -0.7043 -0.7043 0.1798 0.1798 0.1833 0.1833 1.4451 1.4451 1.4610 1.4610 3.1835 3.1835 3.1978 3.1978 11.3777 11.3777 11.3901 11.3901 12.4958 12.4958 12.5047 12.5047 k = 0.0000 0.5000 0.4064 ( 1866 PWs) bands (ev): -17.8637 -17.8637 -17.8635 -17.8635 -16.9422 -16.9422 -16.9421 -16.9421 -3.6543 -3.6543 -3.6528 -3.6528 -1.9918 -1.9918 -1.9900 -1.9900 -0.7100 -0.7100 -0.7095 -0.7095 0.1964 0.1964 0.2000 0.2000 1.4335 1.4335 1.4495 1.4495 3.1849 3.1849 3.1991 3.1991 11.3761 11.3761 11.3885 11.3885 12.5001 12.5001 12.5090 12.5090 k = 0.0000 0.5000 0.4174 ( 1868 PWs) bands (ev): -17.8630 -17.8630 -17.8628 -17.8628 -16.9429 -16.9429 -16.9429 -16.9429 -3.6574 -3.6574 -3.6559 -3.6559 -1.9894 -1.9894 -1.9876 -1.9876 -0.7131 -0.7131 -0.7126 -0.7126 0.2066 0.2066 0.2102 0.2102 1.4264 1.4264 1.4424 1.4424 3.1857 3.1857 3.2000 3.2000 11.3752 11.3752 11.3876 11.3876 12.5027 12.5027 12.5116 12.5116 k = 0.0000 0.5000 0.4283 ( 1872 PWs) bands (ev): -17.8627 -17.8627 -17.8626 -17.8626 -16.9432 -16.9432 -16.9431 -16.9431 -3.6584 -3.6584 -3.6569 -3.6569 -1.9887 -1.9887 -1.9869 -1.9869 -0.7141 -0.7141 -0.7136 -0.7136 0.2100 0.2100 0.2136 0.2136 1.4240 1.4240 1.4401 1.4401 3.1860 3.1860 3.2002 3.2002 11.3748 11.3748 11.3873 11.3873 12.5036 12.5036 12.5125 12.5125 k = 0.5000 0.5000-0.0000 ( 1868 PWs) bands (ev): -17.6577 -17.6577 -17.6577 -17.6577 -17.0971 -17.0971 -17.0971 -17.0971 -3.0391 -3.0391 -3.0390 -3.0390 -2.8453 -2.8453 -2.8453 -2.8453 -1.2778 -1.2778 -1.2777 -1.2777 -0.5317 -0.5317 -0.5317 -0.5317 2.0082 2.0082 2.0082 2.0082 4.0887 4.0887 4.0888 4.0888 12.0126 12.0126 12.0128 12.0128 12.4262 12.4262 12.4263 12.4263 k = 0.5000 0.5000 0.0110 ( 1868 PWs) bands (ev): -17.6577 -17.6577 -17.6577 -17.6577 -17.0971 -17.0971 -17.0971 -17.0971 -3.0419 -3.0419 -3.0418 -3.0418 -2.8455 -2.8455 -2.8455 -2.8455 -1.2744 -1.2744 -1.2743 -1.2743 -0.5327 -0.5327 -0.5327 -0.5327 2.0098 2.0098 2.0098 2.0098 4.0888 4.0888 4.0888 4.0888 12.0101 12.0101 12.0103 12.0103 12.4262 12.4262 12.4263 12.4263 k = 0.5000 0.5000 0.0220 ( 1868 PWs) bands (ev): -17.6576 -17.6576 -17.6576 -17.6576 -17.0971 -17.0971 -17.0970 -17.0970 -3.0502 -3.0502 -3.0502 -3.0502 -2.8461 -2.8461 -2.8461 -2.8461 -1.2641 -1.2641 -1.2640 -1.2640 -0.5356 -0.5356 -0.5356 -0.5356 2.0145 2.0145 2.0145 2.0145 4.0888 4.0888 4.0888 4.0888 12.0023 12.0023 12.0026 12.0026 12.4262 12.4262 12.4262 12.4262 k = 0.5000 0.5000 0.0329 ( 1868 PWs) bands (ev): -17.6574 -17.6574 -17.6574 -17.6574 -17.0969 -17.0969 -17.0969 -17.0969 -3.0639 -3.0639 -3.0638 -3.0638 -2.8471 -2.8471 -2.8470 -2.8470 -1.2473 -1.2473 -1.2472 -1.2472 -0.5405 -0.5405 -0.5405 -0.5405 2.0224 2.0224 2.0224 2.0224 4.0888 4.0888 4.0888 4.0888 11.9896 11.9896 11.9898 11.9898 12.4261 12.4261 12.4262 12.4262 k = 0.5000 0.5000 0.0439 ( 1876 PWs) bands (ev): -17.6572 -17.6572 -17.6572 -17.6572 -17.0968 -17.0968 -17.0968 -17.0968 -3.0825 -3.0825 -3.0824 -3.0824 -2.8484 -2.8484 -2.8484 -2.8484 -1.2243 -1.2243 -1.2242 -1.2242 -0.5473 -0.5473 -0.5473 -0.5473 2.0332 2.0332 2.0332 2.0332 4.0889 4.0889 4.0889 4.0889 11.9719 11.9719 11.9722 11.9722 12.4260 12.4260 12.4261 12.4261 k = 0.5000 0.5000 0.0549 ( 1872 PWs) bands (ev): -17.6569 -17.6569 -17.6568 -17.6568 -17.0966 -17.0966 -17.0965 -17.0965 -3.1055 -3.1055 -3.1055 -3.1055 -2.8502 -2.8502 -2.8502 -2.8502 -1.1956 -1.1956 -1.1955 -1.1955 -0.5558 -0.5558 -0.5558 -0.5558 2.0470 2.0470 2.0470 2.0470 4.0890 4.0890 4.0890 4.0890 11.9497 11.9497 11.9499 11.9499 12.4259 12.4259 12.4259 12.4259 k = 0.5000 0.5000 0.0659 ( 1872 PWs) bands (ev): -17.6565 -17.6565 -17.6565 -17.6565 -17.0963 -17.0963 -17.0963 -17.0963 -3.1325 -3.1325 -3.1325 -3.1325 -2.8523 -2.8523 -2.8523 -2.8523 -1.1617 -1.1617 -1.1616 -1.1616 -0.5659 -0.5659 -0.5659 -0.5659 2.0635 2.0635 2.0635 2.0635 4.0890 4.0890 4.0891 4.0891 11.9231 11.9231 11.9233 11.9233 12.4257 12.4257 12.4258 12.4258 k = 0.5000 0.5000 0.0769 ( 1880 PWs) bands (ev): -17.6561 -17.6561 -17.6560 -17.6560 -17.0960 -17.0960 -17.0960 -17.0960 -3.1629 -3.1629 -3.1629 -3.1629 -2.8549 -2.8549 -2.8548 -2.8548 -1.1233 -1.1233 -1.1232 -1.1232 -0.5775 -0.5775 -0.5775 -0.5775 2.0825 2.0825 2.0826 2.0826 4.0892 4.0892 4.0892 4.0892 11.8923 11.8923 11.8925 11.8925 12.4256 12.4256 12.4256 12.4256 k = 0.5000 0.5000 0.0879 ( 1876 PWs) bands (ev): -17.6556 -17.6556 -17.6555 -17.6555 -17.0957 -17.0957 -17.0957 -17.0957 -3.1962 -3.1962 -3.1962 -3.1962 -2.8577 -2.8577 -2.8577 -2.8577 -1.0809 -1.0809 -1.0808 -1.0808 -0.5906 -0.5906 -0.5906 -0.5906 2.1040 2.1040 2.1040 2.1040 4.0893 4.0893 4.0893 4.0893 11.8578 11.8578 11.8580 11.8580 12.4254 12.4254 12.4255 12.4255 k = 0.5000 0.5000 0.0988 ( 1876 PWs) bands (ev): -17.6550 -17.6550 -17.6550 -17.6550 -17.0953 -17.0953 -17.0953 -17.0953 -3.2318 -3.2318 -3.2317 -3.2317 -2.8609 -2.8609 -2.8609 -2.8609 -1.0351 -1.0351 -1.0350 -1.0350 -0.6048 -0.6048 -0.6048 -0.6048 2.1277 2.1277 2.1277 2.1277 4.0894 4.0894 4.0894 4.0894 11.8200 11.8200 11.8202 11.8202 12.4252 12.4252 12.4253 12.4253 k = 0.5000 0.5000 0.1098 ( 1876 PWs) bands (ev): -17.6544 -17.6544 -17.6544 -17.6544 -17.0949 -17.0949 -17.0949 -17.0949 -3.2692 -3.2692 -3.2692 -3.2692 -2.8644 -2.8644 -2.8644 -2.8644 -0.9864 -0.9864 -0.9863 -0.9863 -0.6200 -0.6200 -0.6200 -0.6200 2.1533 2.1533 2.1534 2.1534 4.0896 4.0896 4.0896 4.0896 11.7791 11.7791 11.7793 11.7793 12.4250 12.4250 12.4250 12.4250 k = 0.5000 0.5000 0.1208 ( 1876 PWs) bands (ev): -17.6538 -17.6538 -17.6537 -17.6537 -17.0945 -17.0945 -17.0945 -17.0945 -3.3080 -3.3080 -3.3080 -3.3080 -2.8682 -2.8682 -2.8682 -2.8682 -0.9355 -0.9355 -0.9354 -0.9354 -0.6361 -0.6361 -0.6361 -0.6361 2.1807 2.1807 2.1807 2.1807 4.0897 4.0897 4.0898 4.0898 11.7356 11.7356 11.7358 11.7358 12.4247 12.4247 12.4248 12.4248 k = 0.5000 0.5000 0.1318 ( 1876 PWs) bands (ev): -17.6531 -17.6531 -17.6530 -17.6530 -17.0940 -17.0940 -17.0940 -17.0940 -3.3478 -3.3478 -3.3478 -3.3478 -2.8723 -2.8723 -2.8723 -2.8723 -0.8826 -0.8826 -0.8826 -0.8826 -0.6529 -0.6529 -0.6529 -0.6529 2.2096 2.2096 2.2096 2.2096 4.0899 4.0899 4.0899 4.0899 11.6899 11.6899 11.6901 11.6901 12.4245 12.4245 12.4245 12.4245 k = 0.5000 0.5000 0.1428 ( 1876 PWs) bands (ev): -17.6523 -17.6523 -17.6523 -17.6523 -17.0935 -17.0935 -17.0935 -17.0935 -3.3881 -3.3881 -3.3881 -3.3881 -2.8767 -2.8767 -2.8767 -2.8767 -0.8285 -0.8285 -0.8284 -0.8284 -0.6703 -0.6703 -0.6703 -0.6703 2.2398 2.2398 2.2398 2.2398 4.0901 4.0901 4.0901 4.0901 11.6423 11.6423 11.6425 11.6425 12.4242 12.4242 12.4243 12.4243 k = 0.5000 0.5000 0.1538 ( 1876 PWs) bands (ev): -17.6515 -17.6515 -17.6515 -17.6515 -17.0930 -17.0930 -17.0930 -17.0930 -3.4288 -3.4288 -3.4287 -3.4287 -2.8813 -2.8813 -2.8813 -2.8813 -0.7734 -0.7734 -0.7733 -0.7733 -0.6879 -0.6879 -0.6879 -0.6879 2.2710 2.2710 2.2711 2.2711 4.0903 4.0903 4.0903 4.0903 11.5931 11.5931 11.5933 11.5933 12.4239 12.4239 12.4240 12.4240 k = 0.5000 0.5000 0.1647 ( 1880 PWs) bands (ev): -17.6508 -17.6508 -17.6507 -17.6507 -17.0924 -17.0924 -17.0924 -17.0924 -3.4694 -3.4694 -3.4693 -3.4693 -2.8861 -2.8861 -2.8861 -2.8861 -0.7199 -0.7199 -0.7199 -0.7199 -0.7035 -0.7035 -0.7034 -0.7034 2.3030 2.3030 2.3031 2.3031 4.0905 4.0905 4.0905 4.0905 11.5428 11.5428 11.5430 11.5430 12.4236 12.4236 12.4237 12.4237 k = 0.5000 0.5000 0.1757 ( 1872 PWs) bands (ev): -17.6499 -17.6499 -17.6499 -17.6499 -17.0919 -17.0919 -17.0919 -17.0919 -3.5097 -3.5097 -3.5096 -3.5096 -2.8911 -2.8911 -2.8911 -2.8911 -0.7251 -0.7251 -0.7251 -0.7251 -0.6602 -0.6602 -0.6601 -0.6601 2.3357 2.3357 2.3357 2.3357 4.0907 4.0907 4.0907 4.0907 11.4918 11.4918 11.4920 11.4920 12.4234 12.4234 12.4234 12.4234 k = 0.5000 0.5000 0.1867 ( 1872 PWs) bands (ev): -17.6491 -17.6491 -17.6490 -17.6490 -17.0913 -17.0913 -17.0913 -17.0913 -3.5495 -3.5495 -3.5494 -3.5494 -2.8962 -2.8962 -2.8962 -2.8962 -0.7429 -0.7429 -0.7429 -0.7429 -0.6044 -0.6044 -0.6043 -0.6043 2.3687 2.3687 2.3687 2.3687 4.0909 4.0909 4.0909 4.0909 11.4403 11.4403 11.4405 11.4405 12.4231 12.4231 12.4231 12.4231 k = 0.5000 0.5000 0.1977 ( 1856 PWs) bands (ev): -17.6482 -17.6482 -17.6481 -17.6481 -17.0907 -17.0907 -17.0907 -17.0907 -3.5885 -3.5885 -3.5885 -3.5885 -2.9014 -2.9014 -2.9014 -2.9014 -0.7607 -0.7607 -0.7607 -0.7607 -0.5487 -0.5487 -0.5486 -0.5486 2.4019 2.4019 2.4019 2.4019 4.0912 4.0912 4.0912 4.0912 11.3887 11.3887 11.3889 11.3889 12.4228 12.4228 12.4228 12.4228 k = 0.5000 0.5000 0.2087 ( 1856 PWs) bands (ev): -17.6473 -17.6473 -17.6473 -17.6473 -17.0901 -17.0901 -17.0901 -17.0901 -3.6267 -3.6267 -3.6267 -3.6267 -2.9068 -2.9068 -2.9068 -2.9068 -0.7784 -0.7784 -0.7784 -0.7784 -0.4936 -0.4936 -0.4935 -0.4935 2.4350 2.4350 2.4350 2.4350 4.0914 4.0914 4.0914 4.0914 11.3373 11.3373 11.3375 11.3375 12.4224 12.4224 12.4225 12.4225 k = 0.5000 0.5000 0.2197 ( 1864 PWs) bands (ev): -17.6464 -17.6464 -17.6464 -17.6464 -17.0896 -17.0896 -17.0895 -17.0895 -3.6638 -3.6638 -3.6638 -3.6638 -2.9122 -2.9122 -2.9121 -2.9121 -0.7957 -0.7957 -0.7957 -0.7957 -0.4393 -0.4393 -0.4393 -0.4393 2.4678 2.4678 2.4678 2.4678 4.0916 4.0916 4.0916 4.0916 11.2863 11.2863 11.2865 11.2865 12.4221 12.4221 12.4222 12.4222 k = 0.5000 0.5000 0.2306 ( 1856 PWs) bands (ev): -17.6455 -17.6455 -17.6455 -17.6455 -17.0890 -17.0890 -17.0889 -17.0889 -3.6997 -3.6997 -3.6997 -3.6997 -2.9176 -2.9176 -2.9175 -2.9175 -0.8125 -0.8125 -0.8125 -0.8125 -0.3862 -0.3862 -0.3862 -0.3862 2.5002 2.5002 2.5002 2.5002 4.0918 4.0918 4.0918 4.0918 11.2361 11.2361 11.2363 11.2363 12.4218 12.4218 12.4219 12.4219 k = 0.5000 0.5000 0.2416 ( 1856 PWs) bands (ev): -17.6447 -17.6447 -17.6446 -17.6446 -17.0884 -17.0884 -17.0884 -17.0884 -3.7342 -3.7342 -3.7342 -3.7342 -2.9229 -2.9229 -2.9229 -2.9229 -0.8288 -0.8288 -0.8288 -0.8288 -0.3345 -0.3345 -0.3345 -0.3345 2.5319 2.5319 2.5320 2.5320 4.0920 4.0920 4.0921 4.0921 11.1870 11.1870 11.1872 11.1872 12.4215 12.4215 12.4216 12.4216 k = 0.5000 0.5000 0.2526 ( 1856 PWs) bands (ev): -17.6438 -17.6438 -17.6438 -17.6438 -17.0878 -17.0878 -17.0878 -17.0878 -3.7673 -3.7673 -3.7673 -3.7673 -2.9282 -2.9282 -2.9282 -2.9282 -0.8445 -0.8445 -0.8445 -0.8445 -0.2845 -0.2845 -0.2844 -0.2844 2.5628 2.5628 2.5629 2.5629 4.0922 4.0922 4.0923 4.0923 11.1392 11.1392 11.1394 11.1394 12.4212 12.4212 12.4213 12.4213 k = 0.5000 0.5000 0.2636 ( 1872 PWs) bands (ev): -17.6430 -17.6430 -17.6430 -17.6430 -17.0873 -17.0873 -17.0873 -17.0873 -3.7988 -3.7988 -3.7988 -3.7988 -2.9335 -2.9335 -2.9334 -2.9334 -0.8595 -0.8595 -0.8595 -0.8595 -0.2362 -0.2362 -0.2362 -0.2362 2.5927 2.5927 2.5928 2.5928 4.0924 4.0924 4.0924 4.0924 11.0929 11.0929 11.0931 11.0931 12.4208 12.4208 12.4209 12.4209 k = 0.5000 0.5000 0.2746 ( 1864 PWs) bands (ev): -17.6422 -17.6422 -17.6421 -17.6421 -17.0867 -17.0867 -17.0867 -17.0867 -3.8287 -3.8287 -3.8287 -3.8287 -2.9386 -2.9386 -2.9385 -2.9385 -0.8738 -0.8738 -0.8738 -0.8738 -0.1901 -0.1901 -0.1900 -0.1900 2.6215 2.6215 2.6215 2.6215 4.0926 4.0926 4.0927 4.0927 11.0485 11.0485 11.0486 11.0486 12.4205 12.4205 12.4206 12.4206 k = 0.5000 0.5000 0.2856 ( 1880 PWs) bands (ev): -17.6414 -17.6414 -17.6414 -17.6414 -17.0862 -17.0862 -17.0862 -17.0862 -3.8568 -3.8568 -3.8568 -3.8568 -2.9435 -2.9435 -2.9435 -2.9435 -0.8872 -0.8872 -0.8872 -0.8872 -0.1462 -0.1462 -0.1461 -0.1461 2.6490 2.6490 2.6490 2.6490 4.0927 4.0927 4.0928 4.0928 11.0060 11.0060 11.0062 11.0062 12.4202 12.4202 12.4203 12.4203 k = 0.5000 0.5000 0.2965 ( 1880 PWs) bands (ev): -17.6407 -17.6407 -17.6406 -17.6406 -17.0857 -17.0857 -17.0857 -17.0857 -3.8831 -3.8831 -3.8831 -3.8831 -2.9482 -2.9482 -2.9482 -2.9482 -0.8998 -0.8998 -0.8998 -0.8998 -0.1047 -0.1047 -0.1046 -0.1046 2.6750 2.6750 2.6750 2.6750 4.0929 4.0929 4.0929 4.0929 10.9658 10.9658 10.9660 10.9660 12.4200 12.4200 12.4200 12.4200 k = 0.5000 0.5000 0.3075 ( 1872 PWs) bands (ev): -17.6400 -17.6400 -17.6399 -17.6399 -17.0853 -17.0853 -17.0852 -17.0852 -3.9075 -3.9075 -3.9075 -3.9075 -2.9527 -2.9527 -2.9527 -2.9527 -0.9115 -0.9115 -0.9115 -0.9115 -0.0658 -0.0658 -0.0657 -0.0657 2.6994 2.6994 2.6995 2.6995 4.0931 4.0931 4.0931 4.0931 10.9281 10.9281 10.9282 10.9282 12.4197 12.4197 12.4198 12.4198 k = 0.5000 0.5000 0.3185 ( 1872 PWs) bands (ev): -17.6393 -17.6393 -17.6393 -17.6393 -17.0848 -17.0848 -17.0848 -17.0848 -3.9300 -3.9300 -3.9300 -3.9300 -2.9569 -2.9569 -2.9569 -2.9569 -0.9222 -0.9222 -0.9222 -0.9222 -0.0297 -0.0297 -0.0296 -0.0296 2.7222 2.7222 2.7222 2.7222 4.0933 4.0933 4.0933 4.0933 10.8930 10.8930 10.8931 10.8931 12.4195 12.4195 12.4196 12.4196 k = 0.5000 0.5000 0.3295 ( 1872 PWs) bands (ev): -17.6387 -17.6387 -17.6387 -17.6387 -17.0844 -17.0844 -17.0844 -17.0844 -3.9505 -3.9505 -3.9505 -3.9505 -2.9608 -2.9608 -2.9608 -2.9608 -0.9321 -0.9321 -0.9321 -0.9321 0.0034 0.0034 0.0035 0.0035 2.7431 2.7431 2.7431 2.7431 4.0934 4.0934 4.0934 4.0934 10.8606 10.8606 10.8608 10.8608 12.4193 12.4193 12.4193 12.4193 k = 0.5000 0.5000 0.3405 ( 1868 PWs) bands (ev): -17.6381 -17.6381 -17.6381 -17.6381 -17.0840 -17.0840 -17.0840 -17.0840 -3.9690 -3.9690 -3.9690 -3.9690 -2.9644 -2.9644 -2.9644 -2.9644 -0.9409 -0.9409 -0.9409 -0.9409 0.0335 0.0335 0.0336 0.0336 2.7621 2.7621 2.7621 2.7621 4.0936 4.0936 4.0936 4.0936 10.8313 10.8313 10.8315 10.8315 12.4190 12.4190 12.4191 12.4191 k = 0.5000 0.5000 0.3515 ( 1860 PWs) bands (ev): -17.6376 -17.6376 -17.6376 -17.6376 -17.0837 -17.0837 -17.0837 -17.0837 -3.9854 -3.9854 -3.9854 -3.9854 -2.9677 -2.9677 -2.9677 -2.9677 -0.9487 -0.9487 -0.9487 -0.9487 0.0604 0.0604 0.0604 0.0604 2.7791 2.7791 2.7792 2.7792 4.0937 4.0937 4.0937 4.0937 10.8051 10.8051 10.8052 10.8052 12.4189 12.4189 12.4189 12.4189 k = 0.5000 0.5000 0.3624 ( 1856 PWs) bands (ev): -17.6372 -17.6372 -17.6371 -17.6371 -17.0834 -17.0834 -17.0834 -17.0834 -3.9996 -3.9996 -3.9996 -3.9996 -2.9705 -2.9705 -2.9705 -2.9705 -0.9555 -0.9555 -0.9555 -0.9555 0.0839 0.0839 0.0840 0.0840 2.7940 2.7940 2.7941 2.7941 4.0938 4.0938 4.0938 4.0938 10.7820 10.7820 10.7822 10.7822 12.4187 12.4187 12.4188 12.4188 k = 0.5000 0.5000 0.3734 ( 1856 PWs) bands (ev): -17.6368 -17.6368 -17.6368 -17.6368 -17.0831 -17.0831 -17.0831 -17.0831 -4.0118 -4.0118 -4.0117 -4.0117 -2.9730 -2.9730 -2.9730 -2.9730 -0.9613 -0.9613 -0.9613 -0.9613 0.1040 0.1040 0.1040 0.1040 2.8068 2.8068 2.8068 2.8068 4.0939 4.0939 4.0939 4.0939 10.7623 10.7623 10.7625 10.7625 12.4186 12.4186 12.4186 12.4186 k = 0.5000 0.5000 0.3844 ( 1856 PWs) bands (ev): -17.6365 -17.6365 -17.6364 -17.6364 -17.0829 -17.0829 -17.0829 -17.0829 -4.0217 -4.0217 -4.0217 -4.0217 -2.9750 -2.9750 -2.9750 -2.9750 -0.9661 -0.9661 -0.9661 -0.9661 0.1205 0.1205 0.1206 0.1206 2.8173 2.8173 2.8173 2.8173 4.0940 4.0940 4.0940 4.0940 10.7461 10.7461 10.7462 10.7462 12.4184 12.4184 12.4185 12.4185 k = 0.5000 0.5000 0.3954 ( 1856 PWs) bands (ev): -17.6362 -17.6362 -17.6362 -17.6362 -17.0828 -17.0828 -17.0827 -17.0827 -4.0295 -4.0295 -4.0295 -4.0295 -2.9766 -2.9766 -2.9766 -2.9766 -0.9698 -0.9698 -0.9698 -0.9698 0.1335 0.1335 0.1335 0.1335 2.8255 2.8255 2.8255 2.8255 4.0940 4.0940 4.0940 4.0940 10.7334 10.7334 10.7335 10.7335 12.4184 12.4184 12.4184 12.4184 k = 0.5000 0.5000 0.4064 ( 1856 PWs) bands (ev): -17.6361 -17.6361 -17.6360 -17.6360 -17.0827 -17.0827 -17.0826 -17.0826 -4.0350 -4.0350 -4.0350 -4.0350 -2.9778 -2.9778 -2.9778 -2.9778 -0.9725 -0.9725 -0.9725 -0.9725 0.1428 0.1428 0.1428 0.1428 2.8314 2.8314 2.8314 2.8314 4.0941 4.0941 4.0941 4.0941 10.7242 10.7242 10.7244 10.7244 12.4183 12.4183 12.4184 12.4184 k = 0.5000 0.5000 0.4174 ( 1848 PWs) bands (ev): -17.6359 -17.6359 -17.6359 -17.6359 -17.0826 -17.0826 -17.0826 -17.0826 -4.0384 -4.0384 -4.0383 -4.0383 -2.9785 -2.9785 -2.9784 -2.9784 -0.9740 -0.9740 -0.9740 -0.9740 0.1484 0.1484 0.1484 0.1484 2.8350 2.8350 2.8350 2.8350 4.0941 4.0941 4.0941 4.0941 10.7188 10.7188 10.7189 10.7189 12.4183 12.4183 12.4183 12.4183 k = 0.5000 0.5000 0.4283 ( 1848 PWs) bands (ev): -17.6359 -17.6359 -17.6359 -17.6359 -17.0826 -17.0826 -17.0825 -17.0825 -4.0395 -4.0395 -4.0395 -4.0395 -2.9787 -2.9787 -2.9787 -2.9787 -0.9746 -0.9746 -0.9746 -0.9746 0.1502 0.1502 0.1503 0.1503 2.8361 2.8361 2.8362 2.8362 4.0941 4.0941 4.0942 4.0942 10.7169 10.7169 10.7171 10.7171 12.4183 12.4183 12.4183 12.4183 Writing output data file CO2.save init_run : 0.27s CPU 0.43s WALL ( 1 calls) electrons : 80.59s CPU 83.25s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.01s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 80.59s CPU 83.24s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.01s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.03s WALL ( 434 calls) cegterg : 75.16s CPU 76.58s WALL ( 436 calls) Called by sum_band: Called by *egterg: h_psi : 32.53s CPU 33.20s WALL ( 7829 calls) s_psi : 0.96s CPU 1.17s WALL ( 7829 calls) g_psi : 0.07s CPU 0.11s WALL ( 6959 calls) cdiaghg : 39.19s CPU 39.95s WALL ( 7393 calls) cegterg:over : 2.74s CPU 2.84s WALL ( 6959 calls) cegterg:upda : 1.67s CPU 1.66s WALL ( 6959 calls) cegterg:last : 1.10s CPU 1.05s WALL ( 1304 calls) cdiaghg:chol : 2.12s CPU 1.97s WALL ( 7393 calls) cdiaghg:inve : 1.16s CPU 1.27s WALL ( 7393 calls) cdiaghg:para : 2.18s CPU 2.17s WALL ( 14786 calls) Called by h_psi: h_psi:vloc : 29.02s CPU 29.54s WALL ( 7829 calls) h_psi:vnl : 3.46s CPU 3.61s WALL ( 7829 calls) add_vuspsi : 1.50s CPU 1.46s WALL ( 7829 calls) General routines calbec : 1.96s CPU 2.13s WALL ( 7829 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 27.14s CPU 27.58s WALL ( 733880 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.14s WALL ( 868 calls) Parallel routines fft_scatter : 15.12s CPU 15.15s WALL ( 733903 calls) PWSCF : 1m32.16s CPU 2m 4.65s WALL This run was terminated on: 17:12:51 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=