Program PWSCF v.5.4.0 starts on 4Aug2017 at 1:44:44 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Na2SnSe3.save/ file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 256 212 57 12365 9280 1315 Max 257 213 58 12367 9315 1318 Sum 9217 7639 2065 445151 334785 47363 bravais-lattice index = 14 lattice parameter (alat) = 30.6476 a.u. unit-cell volume = 4518.9702 (a.u.)^3 number of atoms/cell = 24 number of atomic types = 3 number of electrons = 200.00 number of Kohn-Sham states= 240 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 30.647576 celldm(2)= 0.380688 celldm(3)= 0.446664 celldm(4)= 0.384295 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 0.380688 0.000000 ) a(3) = ( 0.000000 0.171651 0.412365 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 2.626822 -1.093441 ) b(3) = ( 0.000000 0.000000 2.425036 ) PseudoPot. # 1 for Sn read from file: /users/gautes/Pseudo/Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 9499e19b89e678f7f9f46ad7de03aa82 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d 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 1211 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 Sn 14.00 118.71000 Sn( 1.00) Na 9.00 22.98980 Na( 1.00) Se 6.00 78.96000 Se( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( -0.1903441 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.1903441 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [1,0,0] -C2 -2 180 deg rotation - cart. axis [1,0,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,0,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,0,0] E Cartesian axes number of k points= 183 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0054645 k( 2) = ( 0.0000000 0.0000000 0.0505216), wk = 0.0054645 k( 3) = ( 0.0000000 0.0000000 0.1010432), wk = 0.0054645 k( 4) = ( 0.0000000 0.0000000 0.1515648), wk = 0.0054645 k( 5) = ( 0.0000000 0.0000000 0.2020864), wk = 0.0054645 k( 6) = ( 0.0000000 0.0000000 0.2526080), wk = 0.0054645 k( 7) = ( 0.0000000 0.0000000 0.3031295), wk = 0.0054645 k( 8) = ( 0.0000000 0.0000000 0.3536511), wk = 0.0054645 k( 9) = ( 0.0000000 0.0000000 0.4041727), wk = 0.0054645 k( 10) = ( 0.0000000 0.0000000 0.4546943), wk = 0.0054645 k( 11) = ( 0.0000000 0.0000000 0.5052159), wk = 0.0054645 k( 12) = ( 0.0000000 0.0000000 0.5557375), wk = 0.0054645 k( 13) = ( 0.0000000 0.0000000 0.6062591), wk = 0.0054645 k( 14) = ( 0.0000000 0.0000000 0.6567807), wk = 0.0054645 k( 15) = ( 0.0000000 0.0000000 0.7073023), wk = 0.0054645 k( 16) = ( 0.0000000 0.0000000 0.7578239), wk = 0.0054645 k( 17) = ( 0.0000000 0.0000000 0.8083454), wk = 0.0054645 k( 18) = ( 0.0000000 0.0000000 0.8588670), wk = 0.0054645 k( 19) = ( 0.0000000 0.0000000 0.9093886), wk = 0.0054645 k( 20) = ( 0.0000000 0.0000000 0.9599102), wk = 0.0054645 k( 21) = ( 0.0000000 0.0000000 1.0104318), wk = 0.0054645 k( 22) = ( 0.0000000 0.0000000 1.0609534), wk = 0.0054645 k( 23) = ( 0.0000000 0.0000000 1.1114750), wk = 0.0054645 k( 24) = ( 0.0000000 0.0000000 1.1619966), wk = 0.0054645 k( 25) = ( 0.0000000 0.0000000 1.2125182), wk = 0.0054645 k( 26) = ( 0.0000000 0.0000000 1.2125182), wk = 0.0054645 k( 27) = ( 0.0000000 0.0493460 1.2125182), wk = 0.0054645 k( 28) = ( 0.0000000 0.0986920 1.2125182), wk = 0.0054645 k( 29) = ( 0.0000000 0.1480380 1.2125182), wk = 0.0054645 k( 30) = ( 0.0000000 0.1973840 1.2125182), wk = 0.0054645 k( 31) = ( 0.0000000 0.2467301 1.2125182), wk = 0.0054645 k( 32) = ( 0.0000000 0.2960760 1.2125182), wk = 0.0054645 k( 33) = ( 0.0000000 0.3454220 1.2125182), wk = 0.0054645 k( 34) = ( 0.0000000 0.3947681 1.2125182), wk = 0.0054645 k( 35) = ( 0.0000000 0.4441141 1.2125182), wk = 0.0054645 k( 36) = ( 0.0000000 0.4934601 1.2125182), wk = 0.0054645 k( 37) = ( 0.0000000 0.5428061 1.2125182), wk = 0.0054645 k( 38) = ( 0.0000000 0.5921521 1.2125182), wk = 0.0054645 k( 39) = ( 0.0000000 0.6414981 1.2125182), wk = 0.0054645 k( 40) = ( 0.0000000 0.6908441 1.2125182), wk = 0.0054645 k( 41) = ( 0.0000000 0.7401901 1.2125182), wk = 0.0054645 k( 42) = ( 0.0000000 0.7895361 1.2125182), wk = 0.0054645 k( 43) = ( 0.0000000 0.8388821 1.2125182), wk = 0.0054645 k( 44) = ( 0.0000000 0.8882281 1.2125182), wk = 0.0054645 k( 45) = ( 0.0000000 0.9375741 1.2125182), wk = 0.0054645 k( 46) = ( 0.0000000 0.9869201 1.2125182), wk = 0.0054645 k( 47) = ( 0.0000000 1.0362662 1.2125182), wk = 0.0054645 k( 48) = ( 0.0000000 1.0362662 1.2125182), wk = 0.0054645 k( 49) = ( 0.0000000 1.0593616 1.1669582), wk = 0.0054645 k( 50) = ( 0.0000000 1.0824570 1.1213981), wk = 0.0054645 k( 51) = ( 0.0000000 1.1055524 1.0758381), wk = 0.0054645 k( 52) = ( 0.0000000 1.1286478 1.0302781), wk = 0.0054645 k( 53) = ( 0.0000000 1.1517432 0.9847181), wk = 0.0054645 k( 54) = ( 0.0000000 1.1748386 0.9391580), wk = 0.0054645 k( 55) = ( 0.0000000 1.1979340 0.8935980), wk = 0.0054645 k( 56) = ( 0.0000000 1.2210294 0.8480380), wk = 0.0054645 k( 57) = ( 0.0000000 1.2441249 0.8024780), wk = 0.0054645 k( 58) = ( 0.0000000 1.2672202 0.7569179), wk = 0.0054645 k( 59) = ( 0.0000000 1.2903157 0.7113579), wk = 0.0054645 k( 60) = ( 0.0000000 1.3134111 0.6657979), wk = 0.0054645 k( 61) = ( 0.0000000 1.3134111 0.6657979), wk = 0.0054645 k( 62) = ( 0.0500000 1.3134111 0.6657979), wk = 0.0054645 k( 63) = ( 0.1000000 1.3134111 0.6657979), wk = 0.0054645 k( 64) = ( 0.1500000 1.3134111 0.6657979), wk = 0.0054645 k( 65) = ( 0.2000000 1.3134111 0.6657979), wk = 0.0054645 k( 66) = ( 0.2500000 1.3134111 0.6657979), wk = 0.0054645 k( 67) = ( 0.3000000 1.3134111 0.6657979), wk = 0.0054645 k( 68) = ( 0.3500000 1.3134111 0.6657979), wk = 0.0054645 k( 69) = ( 0.4000000 1.3134111 0.6657979), wk = 0.0054645 k( 70) = ( 0.4500000 1.3134111 0.6657979), wk = 0.0054645 k( 71) = ( 0.5000000 1.3134111 0.6657979), wk = 0.0054645 k( 72) = ( 0.5000000 1.3134111 0.6657979), wk = 0.0054645 k( 73) = ( 0.5000000 1.3365065 0.6202379), wk = 0.0054645 k( 74) = ( 0.5000000 1.3596019 0.5746779), wk = 0.0054645 k( 75) = ( 0.5000000 1.3826973 0.5291179), wk = 0.0054645 k( 76) = ( 0.5000000 1.4057927 0.4835578), wk = 0.0054645 k( 77) = ( 0.5000000 1.4288881 0.4379978), wk = 0.0054645 k( 78) = ( 0.5000000 1.4519835 0.3924378), wk = 0.0054645 k( 79) = ( 0.5000000 1.4750790 0.3468778), wk = 0.0054645 k( 80) = ( 0.5000000 1.4981744 0.3013177), wk = 0.0054645 k( 81) = ( 0.5000000 1.5212698 0.2557577), wk = 0.0054645 k( 82) = ( 0.5000000 1.5443652 0.2101977), wk = 0.0054645 k( 83) = ( 0.5000000 1.5674606 0.1646377), wk = 0.0054645 k( 84) = ( 0.5000000 1.5905560 0.1190777), wk = 0.0054645 k( 85) = ( 0.5000000 1.5905560 0.1190777), wk = 0.0054645 k( 86) = ( 0.5000000 1.5707599 0.0715206), wk = 0.0054645 k( 87) = ( 0.5000000 1.5509639 0.0239636), wk = 0.0054645 k( 88) = ( 0.5000000 1.5311678 -0.0235933), wk = 0.0054645 k( 89) = ( 0.5000000 1.5113717 -0.0711503), wk = 0.0054645 k( 90) = ( 0.5000000 1.4915757 -0.1187073), wk = 0.0054645 k( 91) = ( 0.5000000 1.4717796 -0.1662643), wk = 0.0054645 k( 92) = ( 0.5000000 1.4519835 -0.2138213), wk = 0.0054645 k( 93) = ( 0.5000000 1.4321875 -0.2613783), wk = 0.0054645 k( 94) = ( 0.5000000 1.4123914 -0.3089353), wk = 0.0054645 k( 95) = ( 0.5000000 1.3925953 -0.3564923), wk = 0.0054645 k( 96) = ( 0.5000000 1.3727993 -0.4040493), wk = 0.0054645 k( 97) = ( 0.5000000 1.3530032 -0.4516063), wk = 0.0054645 k( 98) = ( 0.5000000 1.3332072 -0.4991633), wk = 0.0054645 k( 99) = ( 0.5000000 1.3134111 -0.5467203), wk = 0.0054645 k( 100) = ( 0.5000000 1.3134111 -0.5467203), wk = 0.0054645 k( 101) = ( 0.4500000 1.3134111 -0.5467203), wk = 0.0054645 k( 102) = ( 0.4000000 1.3134111 -0.5467203), wk = 0.0054645 k( 103) = ( 0.3500000 1.3134111 -0.5467203), wk = 0.0054645 k( 104) = ( 0.3000000 1.3134111 -0.5467203), wk = 0.0054645 k( 105) = ( 0.2500000 1.3134111 -0.5467203), wk = 0.0054645 k( 106) = ( 0.2000000 1.3134111 -0.5467203), wk = 0.0054645 k( 107) = ( 0.1500000 1.3134111 -0.5467203), wk = 0.0054645 k( 108) = ( 0.1000000 1.3134111 -0.5467203), wk = 0.0054645 k( 109) = ( 0.0500000 1.3134111 -0.5467203), wk = 0.0054645 k( 110) = ( 0.0000000 1.3134111 -0.5467203), wk = 0.0054645 k( 111) = ( 0.0000000 1.3134111 -0.5467203), wk = 0.0054645 k( 112) = ( 0.0000000 1.3332072 -0.4991633), wk = 0.0054645 k( 113) = ( 0.0000000 1.3530032 -0.4516063), wk = 0.0054645 k( 114) = ( 0.0000000 1.3727993 -0.4040493), wk = 0.0054645 k( 115) = ( 0.0000000 1.3925953 -0.3564923), wk = 0.0054645 k( 116) = ( 0.0000000 1.4123914 -0.3089353), wk = 0.0054645 k( 117) = ( 0.0000000 1.4321875 -0.2613783), wk = 0.0054645 k( 118) = ( 0.0000000 1.4519835 -0.2138213), wk = 0.0054645 k( 119) = ( 0.0000000 1.4717796 -0.1662643), wk = 0.0054645 k( 120) = ( 0.0000000 1.4915757 -0.1187073), wk = 0.0054645 k( 121) = ( 0.0000000 1.5113717 -0.0711503), wk = 0.0054645 k( 122) = ( 0.0000000 1.5311678 -0.0235933), wk = 0.0054645 k( 123) = ( 0.0000000 1.5509639 0.0239636), wk = 0.0054645 k( 124) = ( 0.0000000 1.5707599 0.0715206), wk = 0.0054645 k( 125) = ( 0.0000000 1.5905560 0.1190777), wk = 0.0054645 k( 126) = ( 0.5000000 1.0362662 1.2125182), wk = 0.0054645 k( 127) = ( 0.5000000 0.9869201 1.2125182), wk = 0.0054645 k( 128) = ( 0.5000000 0.9375741 1.2125182), wk = 0.0054645 k( 129) = ( 0.5000000 0.8882281 1.2125182), wk = 0.0054645 k( 130) = ( 0.5000000 0.8388821 1.2125182), wk = 0.0054645 k( 131) = ( 0.5000000 0.7895361 1.2125182), wk = 0.0054645 k( 132) = ( 0.5000000 0.7401901 1.2125182), wk = 0.0054645 k( 133) = ( 0.5000000 0.6908441 1.2125182), wk = 0.0054645 k( 134) = ( 0.5000000 0.6414981 1.2125182), wk = 0.0054645 k( 135) = ( 0.5000000 0.5921521 1.2125182), wk = 0.0054645 k( 136) = ( 0.5000000 0.5428061 1.2125182), wk = 0.0054645 k( 137) = ( 0.5000000 0.4934601 1.2125182), wk = 0.0054645 k( 138) = ( 0.5000000 0.4441141 1.2125182), wk = 0.0054645 k( 139) = ( 0.5000000 0.3947681 1.2125182), wk = 0.0054645 k( 140) = ( 0.5000000 0.3454220 1.2125182), wk = 0.0054645 k( 141) = ( 0.5000000 0.2960760 1.2125182), wk = 0.0054645 k( 142) = ( 0.5000000 0.2467301 1.2125182), wk = 0.0054645 k( 143) = ( 0.5000000 0.1973840 1.2125182), wk = 0.0054645 k( 144) = ( 0.5000000 0.1480380 1.2125182), wk = 0.0054645 k( 145) = ( 0.5000000 0.0986920 1.2125182), wk = 0.0054645 k( 146) = ( 0.5000000 0.0493460 1.2125182), wk = 0.0054645 k( 147) = ( 0.5000000 -0.0000000 1.2125182), wk = 0.0054645 k( 148) = ( 0.5000000 -0.0000000 1.2125182), wk = 0.0054645 k( 149) = ( 0.5000000 -0.0000000 1.1619966), wk = 0.0054645 k( 150) = ( 0.5000000 -0.0000000 1.1114750), wk = 0.0054645 k( 151) = ( 0.5000000 -0.0000000 1.0609534), wk = 0.0054645 k( 152) = ( 0.5000000 -0.0000000 1.0104318), wk = 0.0054645 k( 153) = ( 0.5000000 -0.0000000 0.9599102), wk = 0.0054645 k( 154) = ( 0.5000000 -0.0000000 0.9093886), wk = 0.0054645 k( 155) = ( 0.5000000 -0.0000000 0.8588670), wk = 0.0054645 k( 156) = ( 0.5000000 -0.0000000 0.8083454), wk = 0.0054645 k( 157) = ( 0.5000000 -0.0000000 0.7578239), wk = 0.0054645 k( 158) = ( 0.5000000 -0.0000000 0.7073023), wk = 0.0054645 k( 159) = ( 0.5000000 -0.0000000 0.6567807), wk = 0.0054645 k( 160) = ( 0.5000000 -0.0000000 0.6062591), wk = 0.0054645 k( 161) = ( 0.5000000 -0.0000000 0.5557375), wk = 0.0054645 k( 162) = ( 0.5000000 -0.0000000 0.5052159), wk = 0.0054645 k( 163) = ( 0.5000000 -0.0000000 0.4546943), wk = 0.0054645 k( 164) = ( 0.5000000 -0.0000000 0.4041727), wk = 0.0054645 k( 165) = ( 0.5000000 -0.0000000 0.3536511), wk = 0.0054645 k( 166) = ( 0.5000000 -0.0000000 0.3031295), wk = 0.0054645 k( 167) = ( 0.5000000 -0.0000000 0.2526080), wk = 0.0054645 k( 168) = ( 0.5000000 -0.0000000 0.2020864), wk = 0.0054645 k( 169) = ( 0.5000000 -0.0000000 0.1515648), wk = 0.0054645 k( 170) = ( 0.5000000 -0.0000000 0.1010432), wk = 0.0054645 k( 171) = ( 0.5000000 -0.0000000 0.0505216), wk = 0.0054645 k( 172) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0054645 k( 173) = ( 0.0000000 0.0000000 1.2125182), wk = 0.0054645 k( 174) = ( 0.0500000 -0.0000000 1.2125182), wk = 0.0054645 k( 175) = ( 0.1000000 -0.0000000 1.2125182), wk = 0.0054645 k( 176) = ( 0.1500000 -0.0000000 1.2125182), wk = 0.0054645 k( 177) = ( 0.2000000 -0.0000000 1.2125182), wk = 0.0054645 k( 178) = ( 0.2500000 -0.0000000 1.2125182), wk = 0.0054645 k( 179) = ( 0.3000000 -0.0000000 1.2125182), wk = 0.0054645 k( 180) = ( 0.3500000 -0.0000000 1.2125182), wk = 0.0054645 k( 181) = ( 0.4000000 -0.0000000 1.2125182), wk = 0.0054645 k( 182) = ( 0.4500000 -0.0000000 1.2125182), wk = 0.0054645 k( 183) = ( 0.5000000 -0.0000000 1.2125182), wk = 0.0054645 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0054645 k( 2) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0054645 k( 3) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0054645 k( 4) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0054645 k( 5) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0054645 k( 6) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0054645 k( 7) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0054645 k( 8) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0054645 k( 9) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0054645 k( 10) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0054645 k( 11) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0054645 k( 12) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0054645 k( 13) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0054645 k( 14) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0054645 k( 15) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0054645 k( 16) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0054645 k( 17) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0054645 k( 18) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0054645 k( 19) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0054645 k( 20) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0054645 k( 21) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0054645 k( 22) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0054645 k( 23) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0054645 k( 24) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0054645 k( 25) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0054645 k( 26) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0054645 k( 27) = ( 0.0000000 0.0187854 0.5084703), wk = 0.0054645 k( 28) = ( 0.0000000 0.0375709 0.5169406), wk = 0.0054645 k( 29) = ( 0.0000000 0.0563563 0.5254109), wk = 0.0054645 k( 30) = ( 0.0000000 0.0751418 0.5338812), wk = 0.0054645 k( 31) = ( 0.0000000 0.0939272 0.5423514), wk = 0.0054645 k( 32) = ( 0.0000000 0.1127126 0.5508217), wk = 0.0054645 k( 33) = ( 0.0000000 0.1314981 0.5592920), wk = 0.0054645 k( 34) = ( 0.0000000 0.1502835 0.5677623), wk = 0.0054645 k( 35) = ( 0.0000000 0.1690689 0.5762326), wk = 0.0054645 k( 36) = ( 0.0000000 0.1878544 0.5847029), wk = 0.0054645 k( 37) = ( 0.0000000 0.2066398 0.5931732), wk = 0.0054645 k( 38) = ( 0.0000000 0.2254253 0.6016435), wk = 0.0054645 k( 39) = ( 0.0000000 0.2442107 0.6101138), wk = 0.0054645 k( 40) = ( 0.0000000 0.2629961 0.6185841), wk = 0.0054645 k( 41) = ( 0.0000000 0.2817816 0.6270543), wk = 0.0054645 k( 42) = ( 0.0000000 0.3005670 0.6355246), wk = 0.0054645 k( 43) = ( 0.0000000 0.3193525 0.6439949), wk = 0.0054645 k( 44) = ( 0.0000000 0.3381379 0.6524652), wk = 0.0054645 k( 45) = ( 0.0000000 0.3569233 0.6609355), wk = 0.0054645 k( 46) = ( 0.0000000 0.3757088 0.6694058), wk = 0.0054645 k( 47) = ( 0.0000000 0.3944942 0.6778761), wk = 0.0054645 k( 48) = ( 0.0000000 0.3944942 0.6778761), wk = 0.0054645 k( 49) = ( 0.0000000 0.4032864 0.6630531), wk = 0.0054645 k( 50) = ( 0.0000000 0.4120785 0.6482301), wk = 0.0054645 k( 51) = ( 0.0000000 0.4208707 0.6334071), wk = 0.0054645 k( 52) = ( 0.0000000 0.4296628 0.6185841), wk = 0.0054645 k( 53) = ( 0.0000000 0.4384550 0.6037611), wk = 0.0054645 k( 54) = ( 0.0000000 0.4472471 0.5889380), wk = 0.0054645 k( 55) = ( 0.0000000 0.4560393 0.5741150), wk = 0.0054645 k( 56) = ( 0.0000000 0.4648314 0.5592920), wk = 0.0054645 k( 57) = ( 0.0000000 0.4736236 0.5444690), wk = 0.0054645 k( 58) = ( 0.0000000 0.4824157 0.5296460), wk = 0.0054645 k( 59) = ( 0.0000000 0.4912079 0.5148230), wk = 0.0054645 k( 60) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0054645 k( 61) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0054645 k( 62) = ( 0.0500000 0.5000000 0.5000000), wk = 0.0054645 k( 63) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0054645 k( 64) = ( 0.1500000 0.5000000 0.5000000), wk = 0.0054645 k( 65) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0054645 k( 66) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0054645 k( 67) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0054645 k( 68) = ( 0.3500000 0.5000000 0.5000000), wk = 0.0054645 k( 69) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0054645 k( 70) = ( 0.4500000 0.5000000 0.5000000), wk = 0.0054645 k( 71) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0054645 k( 72) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0054645 k( 73) = ( 0.5000000 0.5087921 0.4851770), wk = 0.0054645 k( 74) = ( 0.5000000 0.5175843 0.4703540), wk = 0.0054645 k( 75) = ( 0.5000000 0.5263764 0.4555310), wk = 0.0054645 k( 76) = ( 0.5000000 0.5351686 0.4407080), wk = 0.0054645 k( 77) = ( 0.5000000 0.5439607 0.4258850), wk = 0.0054645 k( 78) = ( 0.5000000 0.5527529 0.4110620), wk = 0.0054645 k( 79) = ( 0.5000000 0.5615450 0.3962389), wk = 0.0054645 k( 80) = ( 0.5000000 0.5703372 0.3814159), wk = 0.0054645 k( 81) = ( 0.5000000 0.5791293 0.3665929), wk = 0.0054645 k( 82) = ( 0.5000000 0.5879215 0.3517699), wk = 0.0054645 k( 83) = ( 0.5000000 0.5967136 0.3369469), wk = 0.0054645 k( 84) = ( 0.5000000 0.6055058 0.3221239), wk = 0.0054645 k( 85) = ( 0.5000000 0.6055058 0.3221239), wk = 0.0054645 k( 86) = ( 0.5000000 0.5979697 0.2991151), wk = 0.0054645 k( 87) = ( 0.5000000 0.5904335 0.2761062), wk = 0.0054645 k( 88) = ( 0.5000000 0.5828974 0.2530974), wk = 0.0054645 k( 89) = ( 0.5000000 0.5753613 0.2300885), wk = 0.0054645 k( 90) = ( 0.5000000 0.5678251 0.2070797), wk = 0.0054645 k( 91) = ( 0.5000000 0.5602890 0.1840708), wk = 0.0054645 k( 92) = ( 0.5000000 0.5527529 0.1610620), wk = 0.0054645 k( 93) = ( 0.5000000 0.5452168 0.1380531), wk = 0.0054645 k( 94) = ( 0.5000000 0.5376806 0.1150443), wk = 0.0054645 k( 95) = ( 0.5000000 0.5301445 0.0920354), wk = 0.0054645 k( 96) = ( 0.5000000 0.5226084 0.0690266), wk = 0.0054645 k( 97) = ( 0.5000000 0.5150723 0.0460177), wk = 0.0054645 k( 98) = ( 0.5000000 0.5075361 0.0230088), wk = 0.0054645 k( 99) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0054645 k( 100) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0054645 k( 101) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0054645 k( 102) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0054645 k( 103) = ( 0.3500000 0.5000000 0.0000000), wk = 0.0054645 k( 104) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0054645 k( 105) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0054645 k( 106) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0054645 k( 107) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0054645 k( 108) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0054645 k( 109) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0054645 k( 110) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0054645 k( 111) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0054645 k( 112) = ( 0.0000000 0.5075361 0.0230088), wk = 0.0054645 k( 113) = ( 0.0000000 0.5150723 0.0460177), wk = 0.0054645 k( 114) = ( 0.0000000 0.5226084 0.0690265), wk = 0.0054645 k( 115) = ( 0.0000000 0.5301445 0.0920354), wk = 0.0054645 k( 116) = ( 0.0000000 0.5376806 0.1150443), wk = 0.0054645 k( 117) = ( 0.0000000 0.5452168 0.1380531), wk = 0.0054645 k( 118) = ( 0.0000000 0.5527529 0.1610620), wk = 0.0054645 k( 119) = ( 0.0000000 0.5602890 0.1840708), wk = 0.0054645 k( 120) = ( 0.0000000 0.5678251 0.2070797), wk = 0.0054645 k( 121) = ( 0.0000000 0.5753613 0.2300885), wk = 0.0054645 k( 122) = ( 0.0000000 0.5828974 0.2530974), wk = 0.0054645 k( 123) = ( 0.0000000 0.5904335 0.2761062), wk = 0.0054645 k( 124) = ( 0.0000000 0.5979697 0.2991151), wk = 0.0054645 k( 125) = ( 0.0000000 0.6055058 0.3221239), wk = 0.0054645 k( 126) = ( 0.5000000 0.3944942 0.6778761), wk = 0.0054645 k( 127) = ( 0.5000000 0.3757088 0.6694058), wk = 0.0054645 k( 128) = ( 0.5000000 0.3569233 0.6609355), wk = 0.0054645 k( 129) = ( 0.5000000 0.3381379 0.6524652), wk = 0.0054645 k( 130) = ( 0.5000000 0.3193525 0.6439949), wk = 0.0054645 k( 131) = ( 0.5000000 0.3005670 0.6355246), wk = 0.0054645 k( 132) = ( 0.5000000 0.2817816 0.6270543), wk = 0.0054645 k( 133) = ( 0.5000000 0.2629961 0.6185841), wk = 0.0054645 k( 134) = ( 0.5000000 0.2442107 0.6101138), wk = 0.0054645 k( 135) = ( 0.5000000 0.2254253 0.6016435), wk = 0.0054645 k( 136) = ( 0.5000000 0.2066398 0.5931732), wk = 0.0054645 k( 137) = ( 0.5000000 0.1878544 0.5847029), wk = 0.0054645 k( 138) = ( 0.5000000 0.1690689 0.5762326), wk = 0.0054645 k( 139) = ( 0.5000000 0.1502835 0.5677623), wk = 0.0054645 k( 140) = ( 0.5000000 0.1314981 0.5592920), wk = 0.0054645 k( 141) = ( 0.5000000 0.1127126 0.5508217), wk = 0.0054645 k( 142) = ( 0.5000000 0.0939272 0.5423514), wk = 0.0054645 k( 143) = ( 0.5000000 0.0751418 0.5338812), wk = 0.0054645 k( 144) = ( 0.5000000 0.0563563 0.5254109), wk = 0.0054645 k( 145) = ( 0.5000000 0.0375709 0.5169406), wk = 0.0054645 k( 146) = ( 0.5000000 0.0187854 0.5084703), wk = 0.0054645 k( 147) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0054645 k( 148) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0054645 k( 149) = ( 0.5000000 0.0000000 0.4791667), wk = 0.0054645 k( 150) = ( 0.5000000 0.0000000 0.4583333), wk = 0.0054645 k( 151) = ( 0.5000000 0.0000000 0.4375000), wk = 0.0054645 k( 152) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0054645 k( 153) = ( 0.5000000 0.0000000 0.3958333), wk = 0.0054645 k( 154) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0054645 k( 155) = ( 0.5000000 0.0000000 0.3541667), wk = 0.0054645 k( 156) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0054645 k( 157) = ( 0.5000000 0.0000000 0.3125000), wk = 0.0054645 k( 158) = ( 0.5000000 0.0000000 0.2916667), wk = 0.0054645 k( 159) = ( 0.5000000 0.0000000 0.2708333), wk = 0.0054645 k( 160) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0054645 k( 161) = ( 0.5000000 0.0000000 0.2291667), wk = 0.0054645 k( 162) = ( 0.5000000 0.0000000 0.2083333), wk = 0.0054645 k( 163) = ( 0.5000000 0.0000000 0.1875000), wk = 0.0054645 k( 164) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0054645 k( 165) = ( 0.5000000 0.0000000 0.1458333), wk = 0.0054645 k( 166) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0054645 k( 167) = ( 0.5000000 0.0000000 0.1041667), wk = 0.0054645 k( 168) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0054645 k( 169) = ( 0.5000000 0.0000000 0.0625000), wk = 0.0054645 k( 170) = ( 0.5000000 0.0000000 0.0416667), wk = 0.0054645 k( 171) = ( 0.5000000 0.0000000 0.0208333), wk = 0.0054645 k( 172) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0054645 k( 173) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0054645 k( 174) = ( 0.0500000 -0.0000000 0.5000000), wk = 0.0054645 k( 175) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0054645 k( 176) = ( 0.1500000 -0.0000000 0.5000000), wk = 0.0054645 k( 177) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0054645 k( 178) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0054645 k( 179) = ( 0.3000000 -0.0000000 0.5000000), wk = 0.0054645 k( 180) = ( 0.3500000 0.0000000 0.5000000), wk = 0.0054645 k( 181) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0054645 k( 182) = ( 0.4500000 0.0000000 0.5000000), wk = 0.0054645 k( 183) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0054645 Dense grid: 445151 G-vectors FFT dimensions: ( 180, 72, 80) Smooth grid: 334785 G-vectors FFT dimensions: ( 160, 64, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 8.51 Mb ( 2324, 240) NL pseudopotentials 7.38 Mb ( 1162, 416) Each V/rho on FFT grid 0.59 Mb ( 38880) Each G-vector array 0.09 Mb ( 12365) G-vector shells 0.09 Mb ( 11837) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 34.04 Mb ( 2324, 960) Each subspace H/S matrix 0.88 Mb ( 240, 240) Each matrix 3.05 Mb ( 416, 2, 240) The potential is recalculated from file : ./Na2SnSe3.save/charge-density.dat Starting wfc are 248 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 22.7 secs Computing kpt #: 2 total cpu time spent up to now is 39.1 secs Computing kpt #: 3 total cpu time spent up to now is 55.1 secs Computing kpt #: 4 total cpu time spent up to now is 70.7 secs Computing kpt #: 5 total cpu time spent up to now is 86.5 secs Computing kpt #: 6 total cpu time spent up to now is 102.2 secs Computing kpt #: 7 total cpu time spent up to now is 117.9 secs Computing kpt #: 8 total cpu time spent up to now is 134.2 secs Computing kpt #: 9 total cpu time spent up to now is 150.6 secs Computing kpt #: 10 total cpu time spent up to now is 167.1 secs Computing kpt #: 11 total cpu time spent up to now is 183.8 secs Computing kpt #: 12 total cpu time spent up to now is 200.5 secs Computing kpt #: 13 total cpu time spent up to now is 217.4 secs Computing kpt #: 14 total cpu time spent up to now is 233.6 secs Computing kpt #: 15 total cpu time spent up to now is 250.5 secs Computing kpt #: 16 total cpu time spent up to now is 267.3 secs Computing kpt #: 17 total cpu time spent up to now is 284.2 secs Computing kpt #: 18 total cpu time spent up to now is 300.9 secs Computing kpt #: 19 total cpu time spent up to now is 317.2 secs Computing kpt #: 20 total cpu time spent up to now is 333.5 secs Computing kpt #: 21 total cpu time spent up to now is 349.5 secs Computing kpt #: 22 total cpu time spent up to now is 365.7 secs Computing kpt #: 23 total cpu time spent up to now is 381.9 secs Computing kpt #: 24 total cpu time spent up to now is 398.5 secs Computing kpt #: 25 total cpu time spent up to now is 416.8 secs Computing kpt #: 26 total cpu time spent up to now is 433.5 secs Computing kpt #: 27 total cpu time spent up to now is 450.2 secs Computing kpt #: 28 total cpu time spent up to now is 466.8 secs Computing kpt #: 29 total cpu time spent up to now is 484.0 secs Computing kpt #: 30 total cpu time spent up to now is 500.8 secs Computing kpt #: 31 total cpu time spent up to now is 517.6 secs Computing kpt #: 32 total cpu time spent up to now is 534.3 secs Computing kpt #: 33 total cpu time spent up to now is 551.2 secs Computing kpt #: 34 total cpu time spent up to now is 568.0 secs Computing kpt #: 35 total cpu time spent up to now is 584.8 secs Computing kpt #: 36 total cpu time spent up to now is 601.7 secs Computing kpt #: 37 total cpu time spent up to now is 618.5 secs Computing kpt #: 38 total cpu time spent up to now is 635.4 secs Computing kpt #: 39 total cpu time spent up to now is 651.7 secs Computing kpt #: 40 total cpu time spent up to now is 668.1 secs Computing kpt #: 41 total cpu time spent up to now is 684.5 secs Computing kpt #: 42 total cpu time spent up to now is 701.2 secs Computing kpt #: 43 total cpu time spent up to now is 718.0 secs Computing kpt #: 44 total cpu time spent up to now is 734.8 secs Computing kpt #: 45 total cpu time spent up to now is 751.6 secs Computing kpt #: 46 total cpu time spent up to now is 768.3 secs Computing kpt #: 47 total cpu time spent up to now is 787.2 secs Computing kpt #: 48 total cpu time spent up to now is 804.0 secs Computing kpt #: 49 total cpu time spent up to now is 820.5 secs Computing kpt #: 50 total cpu time spent up to now is 837.2 secs Computing kpt #: 51 total cpu time spent up to now is 853.8 secs Computing kpt #: 52 total cpu time spent up to now is 870.5 secs Computing kpt #: 53 total cpu time spent up to now is 887.1 secs Computing kpt #: 54 total cpu time spent up to now is 903.7 secs Computing kpt #: 55 total cpu time spent up to now is 920.2 secs Computing kpt #: 56 total cpu time spent up to now is 936.7 secs Computing kpt #: 57 total cpu time spent up to now is 953.3 secs Computing kpt #: 58 total cpu time spent up to now is 970.6 secs Computing kpt #: 59 total cpu time spent up to now is 986.6 secs Computing kpt #: 60 total cpu time spent up to now is 1002.6 secs Computing kpt #: 61 total cpu time spent up to now is 1018.6 secs Computing kpt #: 62 total cpu time spent up to now is 1034.8 secs Computing kpt #: 63 total cpu time spent up to now is 1050.9 secs Computing kpt #: 64 total cpu time spent up to now is 1067.1 secs Computing kpt #: 65 total cpu time spent up to now is 1083.6 secs Computing kpt #: 66 total cpu time spent up to now is 1099.9 secs Computing kpt #: 67 total cpu time spent up to now is 1116.1 secs Computing kpt #: 68 total cpu time spent up to now is 1132.4 secs Computing kpt #: 69 total cpu time spent up to now is 1148.9 secs Computing kpt #: 70 total cpu time spent up to now is 1165.3 secs Computing kpt #: 71 total cpu time spent up to now is 1181.6 secs Computing kpt #: 72 total cpu time spent up to now is 1198.0 secs Computing kpt #: 73 total cpu time spent up to now is 1214.4 secs Computing kpt #: 74 total cpu time spent up to now is 1230.8 secs Computing kpt #: 75 total cpu time spent up to now is 1247.7 secs Computing kpt #: 76 total cpu time spent up to now is 1264.5 secs Computing kpt #: 77 total cpu time spent up to now is 1281.3 secs Computing kpt #: 78 total cpu time spent up to now is 1298.1 secs Computing kpt #: 79 total cpu time spent up to now is 1314.9 secs Computing kpt #: 80 total cpu time spent up to now is 1331.6 secs Computing kpt #: 81 total cpu time spent up to now is 1348.5 secs Computing kpt #: 82 total cpu time spent up to now is 1364.9 secs Computing kpt #: 83 total cpu time spent up to now is 1381.4 secs Computing kpt #: 84 total cpu time spent up to now is 1397.9 secs Computing kpt #: 85 total cpu time spent up to now is 1414.2 secs Computing kpt #: 86 total cpu time spent up to now is 1430.7 secs Computing kpt #: 87 total cpu time spent up to now is 1447.0 secs Computing kpt #: 88 total cpu time spent up to now is 1463.3 secs Computing kpt #: 89 total cpu time spent up to now is 1479.8 secs Computing kpt #: 90 total cpu time spent up to now is 1496.7 secs Computing kpt #: 91 total cpu time spent up to now is 1513.1 secs Computing kpt #: 92 total cpu time spent up to now is 1529.5 secs Computing kpt #: 93 total cpu time spent up to now is 1546.0 secs Computing kpt #: 94 total cpu time spent up to now is 1562.4 secs Computing kpt #: 95 total cpu time spent up to now is 1578.8 secs Computing kpt #: 96 total cpu time spent up to now is 1594.9 secs Computing kpt #: 97 total cpu time spent up to now is 1611.1 secs Computing kpt #: 98 total cpu time spent up to now is 1627.2 secs Computing kpt #: 99 total cpu time spent up to now is 1643.4 secs Computing kpt #: 100 total cpu time spent up to now is 1659.5 secs Computing kpt #: 101 total cpu time spent up to now is 1675.5 secs Computing kpt #: 102 total cpu time spent up to now is 1692.3 secs Computing kpt #: 103 total cpu time spent up to now is 1708.4 secs Computing kpt #: 104 total cpu time spent up to now is 1724.4 secs Computing kpt #: 105 total cpu time spent up to now is 1740.6 secs Computing kpt #: 106 total cpu time spent up to now is 1756.8 secs Computing kpt #: 107 total cpu time spent up to now is 1772.9 secs Computing kpt #: 108 total cpu time spent up to now is 1788.9 secs Computing kpt #: 109 total cpu time spent up to now is 1805.1 secs Computing kpt #: 110 total cpu time spent up to now is 1821.3 secs Computing kpt #: 111 total cpu time spent up to now is 1837.3 secs Computing kpt #: 112 total cpu time spent up to now is 1853.4 secs Computing kpt #: 113 total cpu time spent up to now is 1870.1 secs Computing kpt #: 114 total cpu time spent up to now is 1888.8 secs Computing kpt #: 115 total cpu time spent up to now is 1907.6 secs Computing kpt #: 116 total cpu time spent up to now is 1926.2 secs Computing kpt #: 117 total cpu time spent up to now is 1945.0 secs Computing kpt #: 118 total cpu time spent up to now is 1963.5 secs Computing kpt #: 119 total cpu time spent up to now is 1982.6 secs Computing kpt #: 120 total cpu time spent up to now is 2001.4 secs Computing kpt #: 121 total cpu time spent up to now is 2020.0 secs Computing kpt #: 122 total cpu time spent up to now is 2036.7 secs Computing kpt #: 123 total cpu time spent up to now is 2055.1 secs Computing kpt #: 124 total cpu time spent up to now is 2073.6 secs Computing kpt #: 125 total cpu time spent up to now is 2090.4 secs Computing kpt #: 126 total cpu time spent up to now is 2106.7 secs Computing kpt #: 127 total cpu time spent up to now is 2123.3 secs Computing kpt #: 128 total cpu time spent up to now is 2139.8 secs Computing kpt #: 129 total cpu time spent up to now is 2156.4 secs Computing kpt #: 130 total cpu time spent up to now is 2172.5 secs Computing kpt #: 131 total cpu time spent up to now is 2188.5 secs Computing kpt #: 132 total cpu time spent up to now is 2204.8 secs Computing kpt #: 133 total cpu time spent up to now is 2221.0 secs Computing kpt #: 134 total cpu time spent up to now is 2237.2 secs Computing kpt #: 135 total cpu time spent up to now is 2253.4 secs Computing kpt #: 136 total cpu time spent up to now is 2269.6 secs Computing kpt #: 137 total cpu time spent up to now is 2286.5 secs Computing kpt #: 138 total cpu time spent up to now is 2302.7 secs Computing kpt #: 139 total cpu time spent up to now is 2318.9 secs Computing kpt #: 140 total cpu time spent up to now is 2335.0 secs Computing kpt #: 141 total cpu time spent up to now is 2351.2 secs Computing kpt #: 142 total cpu time spent up to now is 2367.2 secs Computing kpt #: 143 total cpu time spent up to now is 2383.2 secs Computing kpt #: 144 total cpu time spent up to now is 2399.2 secs Computing kpt #: 145 total cpu time spent up to now is 2415.2 secs Computing kpt #: 146 total cpu time spent up to now is 2431.2 secs Computing kpt #: 147 total cpu time spent up to now is 2447.0 secs Computing kpt #: 148 total cpu time spent up to now is 2462.9 secs Computing kpt #: 149 total cpu time spent up to now is 2478.7 secs Computing kpt #: 150 total cpu time spent up to now is 2494.7 secs Computing kpt #: 151 total cpu time spent up to now is 2510.6 secs Computing kpt #: 152 total cpu time spent up to now is 2526.6 secs Computing kpt #: 153 total cpu time spent up to now is 2542.5 secs Computing kpt #: 154 total cpu time spent up to now is 2558.6 secs Computing kpt #: 155 total cpu time spent up to now is 2574.7 secs Computing kpt #: 156 total cpu time spent up to now is 2591.9 secs Computing kpt #: 157 total cpu time spent up to now is 2608.3 secs Computing kpt #: 158 total cpu time spent up to now is 2625.3 secs Computing kpt #: 159 total cpu time spent up to now is 2642.2 secs Computing kpt #: 160 total cpu time spent up to now is 2659.1 secs Computing kpt #: 161 total cpu time spent up to now is 2675.8 secs Computing kpt #: 162 total cpu time spent up to now is 2692.7 secs Computing kpt #: 163 total cpu time spent up to now is 2709.5 secs Computing kpt #: 164 total cpu time spent up to now is 2726.3 secs Computing kpt #: 165 total cpu time spent up to now is 2743.2 secs Computing kpt #: 166 total cpu time spent up to now is 2760.1 secs Computing kpt #: 167 total cpu time spent up to now is 2776.9 secs Computing kpt #: 168 total cpu time spent up to now is 2793.7 secs Computing kpt #: 169 total cpu time spent up to now is 2810.6 secs Computing kpt #: 170 total cpu time spent up to now is 2827.7 secs Computing kpt #: 171 total cpu time spent up to now is 2844.3 secs Computing kpt #: 172 total cpu time spent up to now is 2862.0 secs Computing kpt #: 173 total cpu time spent up to now is 2878.8 secs Computing kpt #: 174 total cpu time spent up to now is 2896.2 secs Computing kpt #: 175 total cpu time spent up to now is 2912.8 secs Computing kpt #: 176 total cpu time spent up to now is 2929.5 secs Computing kpt #: 177 total cpu time spent up to now is 2946.3 secs Computing kpt #: 178 total cpu time spent up to now is 2963.0 secs Computing kpt #: 179 total cpu time spent up to now is 2981.3 secs Computing kpt #: 180 total cpu time spent up to now is 2998.2 secs Computing kpt #: 181 total cpu time spent up to now is 3014.9 secs Computing kpt #: 182 total cpu time spent up to now is 3030.9 secs Computing kpt #: 183 total cpu time spent up to now is 3046.7 secs ethr = 5.00E-09, avg # of iterations = 19.2 total cpu time spent up to now is 3046.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 41823 PWs) bands (ev): -47.3359 -47.3359 -47.3358 -47.3358 -47.3357 -47.3357 -47.3357 -47.3357 -47.2927 -47.2927 -47.2927 -47.2927 -47.2923 -47.2923 -47.2923 -47.2923 -19.3781 -19.3781 -19.3781 -19.3781 -19.3765 -19.3765 -19.3765 -19.3765 -19.3397 -19.3397 -19.3396 -19.3396 -19.3362 -19.3362 -19.3362 -19.3362 -19.2069 -19.2069 -19.2069 -19.2069 -19.2063 -19.2063 -19.2063 -19.2063 -19.1883 -19.1883 -19.1883 -19.1883 -19.1864 -19.1864 -19.1864 -19.1864 -19.1692 -19.1692 -19.1692 -19.1692 -19.1654 -19.1654 -19.1654 -19.1654 -19.1511 -19.1511 -19.1511 -19.1511 -19.1477 -19.1477 -19.1477 -19.1477 -18.1504 -18.1504 -18.1504 -18.1504 -18.1399 -18.1399 -18.1398 -18.1398 -18.1187 -18.1187 -18.1187 -18.1187 -18.1142 -18.1142 -18.1142 -18.1142 -17.1453 -17.1453 -17.1453 -17.1453 -17.1278 -17.1278 -17.1278 -17.1278 -17.0944 -17.0944 -17.0944 -17.0944 -17.0886 -17.0886 -17.0885 -17.0885 -17.0769 -17.0769 -17.0768 -17.0768 -17.0712 -17.0712 -17.0712 -17.0712 -9.3775 -9.3775 -9.3364 -9.3364 -8.3703 -8.3703 -8.2488 -8.2488 -7.9809 -7.9809 -7.9606 -7.9606 -7.7945 -7.7945 -7.7345 -7.7345 -7.6045 -7.6045 -7.5657 -7.5657 -7.5482 -7.5482 -7.5387 -7.5387 -3.1952 -3.1952 -3.1627 -3.1627 -2.0703 -2.0703 -2.0242 -2.0242 -0.1554 -0.1554 -0.1466 -0.1466 -0.0273 -0.0273 -0.0206 -0.0206 0.4001 0.4001 0.6820 0.6820 0.9408 0.9408 0.9481 0.9481 1.2334 1.2334 1.3368 1.3368 1.4491 1.4491 1.5590 1.5590 2.1275 2.1275 2.1823 2.1823 2.2839 2.2839 2.3847 2.3847 2.4117 2.4117 2.4699 2.4699 2.5448 2.5448 2.5535 2.5535 2.6937 2.6937 2.8205 2.8205 2.8887 2.8887 2.9048 2.9048 3.0627 3.0627 3.1441 3.1441 3.1534 3.1534 3.2599 3.2599 3.3713 3.3713 3.3798 3.3798 3.4984 3.4984 3.7477 3.7477 5.2121 5.2121 5.7928 5.7928 5.9136 5.9136 6.0797 6.0797 7.4119 7.4119 7.4437 7.4437 7.5007 7.5007 7.5931 7.5931 8.1086 8.1086 8.1233 8.1233 8.4227 8.4227 8.5023 8.5023 8.7012 8.7012 8.8224 8.8224 8.9976 8.9976 9.0154 9.0154 9.0492 9.0492 9.1760 9.1760 9.2223 9.2223 9.4313 9.4313 k = 0.0000 0.0000 0.0505 ( 41835 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3357 -47.3357 -47.3357 -47.3357 -47.2927 -47.2927 -47.2927 -47.2927 -47.2923 -47.2923 -47.2923 -47.2923 -19.3782 -19.3782 -19.3781 -19.3781 -19.3765 -19.3765 -19.3765 -19.3765 -19.3397 -19.3397 -19.3396 -19.3396 -19.3362 -19.3362 -19.3362 -19.3362 -19.2069 -19.2069 -19.2069 -19.2069 -19.2063 -19.2063 -19.2063 -19.2063 -19.1884 -19.1884 -19.1883 -19.1883 -19.1864 -19.1864 -19.1864 -19.1864 -19.1692 -19.1692 -19.1692 -19.1692 -19.1654 -19.1654 -19.1654 -19.1654 -19.1511 -19.1511 -19.1511 -19.1511 -19.1478 -19.1478 -19.1477 -19.1477 -18.1504 -18.1504 -18.1504 -18.1504 -18.1399 -18.1399 -18.1398 -18.1398 -18.1187 -18.1187 -18.1187 -18.1187 -18.1142 -18.1142 -18.1142 -18.1142 -17.1453 -17.1453 -17.1453 -17.1453 -17.1278 -17.1278 -17.1278 -17.1278 -17.0944 -17.0944 -17.0944 -17.0944 -17.0886 -17.0886 -17.0885 -17.0885 -17.0769 -17.0769 -17.0768 -17.0768 -17.0712 -17.0712 -17.0712 -17.0712 -9.3773 -9.3773 -9.3362 -9.3362 -8.3700 -8.3700 -8.2486 -8.2486 -7.9810 -7.9810 -7.9607 -7.9607 -7.7945 -7.7945 -7.7347 -7.7347 -7.6048 -7.6048 -7.5660 -7.5660 -7.5484 -7.5484 -7.5391 -7.5391 -3.1953 -3.1953 -3.1625 -3.1625 -2.0694 -2.0694 -2.0234 -2.0234 -0.1560 -0.1560 -0.1462 -0.1462 -0.0278 -0.0278 -0.0204 -0.0204 0.4015 0.4015 0.6824 0.6824 0.9412 0.9412 0.9495 0.9495 1.2329 1.2329 1.3360 1.3360 1.4482 1.4482 1.5585 1.5585 2.1280 2.1280 2.1830 2.1830 2.2849 2.2849 2.3851 2.3851 2.4120 2.4120 2.4707 2.4707 2.5451 2.5451 2.5546 2.5546 2.6949 2.6949 2.8204 2.8204 2.8865 2.8865 2.9066 2.9066 3.0624 3.0624 3.1418 3.1418 3.1521 3.1521 3.2587 3.2587 3.3675 3.3675 3.3805 3.3805 3.4968 3.4968 3.7468 3.7468 5.2180 5.2180 5.7917 5.7917 5.9138 5.9138 6.0791 6.0791 7.4084 7.4084 7.4457 7.4457 7.5000 7.5000 7.5964 7.5964 8.1081 8.1081 8.1269 8.1269 8.4193 8.4193 8.5037 8.5037 8.6992 8.6992 8.8197 8.8197 8.9932 8.9932 9.0141 9.0141 9.0482 9.0482 9.1705 9.1705 9.2159 9.2159 9.4253 9.4253 k = 0.0000 0.0000 0.1010 ( 41848 PWs) bands (ev): -47.3359 -47.3359 -47.3358 -47.3358 -47.3357 -47.3357 -47.3357 -47.3357 -47.2927 -47.2927 -47.2927 -47.2927 -47.2923 -47.2923 -47.2923 -47.2923 -19.3782 -19.3782 -19.3781 -19.3781 -19.3765 -19.3765 -19.3765 -19.3765 -19.3397 -19.3397 -19.3396 -19.3396 -19.3362 -19.3362 -19.3362 -19.3362 -19.2069 -19.2069 -19.2069 -19.2069 -19.2064 -19.2064 -19.2063 -19.2063 -19.1884 -19.1884 -19.1883 -19.1883 -19.1864 -19.1864 -19.1864 -19.1864 -19.1692 -19.1692 -19.1692 -19.1692 -19.1654 -19.1654 -19.1654 -19.1654 -19.1511 -19.1511 -19.1511 -19.1511 -19.1478 -19.1478 -19.1478 -19.1478 -18.1504 -18.1504 -18.1504 -18.1504 -18.1399 -18.1399 -18.1398 -18.1398 -18.1187 -18.1187 -18.1187 -18.1187 -18.1143 -18.1143 -18.1142 -18.1142 -17.1453 -17.1453 -17.1453 -17.1453 -17.1279 -17.1279 -17.1278 -17.1278 -17.0945 -17.0945 -17.0944 -17.0944 -17.0886 -17.0886 -17.0885 -17.0885 -17.0769 -17.0769 -17.0768 -17.0768 -17.0712 -17.0712 -17.0712 -17.0712 -9.3767 -9.3767 -9.3357 -9.3357 -8.3691 -8.3691 -8.2481 -8.2481 -7.9812 -7.9812 -7.9609 -7.9609 -7.7946 -7.7946 -7.7352 -7.7352 -7.6058 -7.6058 -7.5670 -7.5670 -7.5489 -7.5489 -7.5403 -7.5403 -3.1955 -3.1955 -3.1619 -3.1619 -2.0667 -2.0667 -2.0208 -2.0208 -0.1577 -0.1577 -0.1453 -0.1453 -0.0292 -0.0292 -0.0201 -0.0201 0.4054 0.4054 0.6833 0.6833 0.9427 0.9427 0.9534 0.9534 1.2312 1.2312 1.3338 1.3338 1.4456 1.4456 1.5570 1.5570 2.1293 2.1293 2.1854 2.1854 2.2878 2.2878 2.3860 2.3860 2.4128 2.4128 2.4729 2.4729 2.5460 2.5460 2.5583 2.5583 2.6983 2.6983 2.8200 2.8200 2.8813 2.8813 2.9105 2.9105 3.0614 3.0614 3.1347 3.1347 3.1483 3.1483 3.2550 3.2550 3.3585 3.3585 3.3803 3.3803 3.4925 3.4925 3.7441 3.7441 5.2354 5.2354 5.7883 5.7883 5.9146 5.9146 6.0775 6.0775 7.4005 7.4005 7.4491 7.4491 7.4984 7.4984 7.6057 7.6057 8.1078 8.1078 8.1362 8.1362 8.4093 8.4093 8.5074 8.5074 8.6930 8.6930 8.8113 8.8113 8.9819 8.9819 9.0088 9.0088 9.0457 9.0457 9.1547 9.1547 9.1984 9.1984 9.4077 9.4077 k = 0.0000 0.0000 0.1516 ( 41850 PWs) bands (ev): -47.3359 -47.3359 -47.3358 -47.3358 -47.3357 -47.3357 -47.3357 -47.3357 -47.2927 -47.2927 -47.2927 -47.2927 -47.2923 -47.2923 -47.2923 -47.2923 -19.3782 -19.3782 -19.3781 -19.3781 -19.3765 -19.3765 -19.3765 -19.3765 -19.3397 -19.3397 -19.3396 -19.3396 -19.3362 -19.3362 -19.3362 -19.3362 -19.2069 -19.2069 -19.2069 -19.2069 -19.2064 -19.2064 -19.2063 -19.2063 -19.1884 -19.1884 -19.1883 -19.1883 -19.1864 -19.1864 -19.1864 -19.1864 -19.1692 -19.1692 -19.1692 -19.1692 -19.1654 -19.1654 -19.1654 -19.1654 -19.1511 -19.1511 -19.1511 -19.1511 -19.1478 -19.1478 -19.1478 -19.1478 -18.1505 -18.1505 -18.1504 -18.1504 -18.1399 -18.1399 -18.1398 -18.1398 -18.1187 -18.1187 -18.1187 -18.1187 -18.1143 -18.1143 -18.1142 -18.1142 -17.1453 -17.1453 -17.1453 -17.1453 -17.1279 -17.1279 -17.1278 -17.1278 -17.0945 -17.0945 -17.0944 -17.0944 -17.0886 -17.0886 -17.0885 -17.0885 -17.0769 -17.0769 -17.0768 -17.0768 -17.0712 -17.0712 -17.0712 -17.0712 -9.3757 -9.3757 -9.3348 -9.3348 -8.3675 -8.3675 -8.2471 -8.2471 -7.9816 -7.9816 -7.9612 -7.9612 -7.7947 -7.7947 -7.7362 -7.7362 -7.6074 -7.6074 -7.5687 -7.5687 -7.5497 -7.5497 -7.5423 -7.5423 -3.1958 -3.1958 -3.1609 -3.1609 -2.0622 -2.0622 -2.0166 -2.0166 -0.1599 -0.1599 -0.1443 -0.1443 -0.0314 -0.0314 -0.0197 -0.0197 0.4118 0.4118 0.6849 0.6849 0.9458 0.9458 0.9592 0.9592 1.2285 1.2285 1.3302 1.3302 1.4414 1.4414 1.5548 1.5548 2.1314 2.1314 2.1890 2.1890 2.2923 2.2923 2.3871 2.3871 2.4147 2.4147 2.4762 2.4762 2.5477 2.5477 2.5646 2.5646 2.7034 2.7034 2.8193 2.8193 2.8747 2.8747 2.9150 2.9150 3.0594 3.0594 3.1226 3.1226 3.1418 3.1418 3.2493 3.2493 3.3465 3.3465 3.3785 3.3785 3.4859 3.4859 3.7397 3.7397 5.2633 5.2633 5.7827 5.7827 5.9158 5.9158 6.0748 6.0748 7.3917 7.3917 7.4511 7.4511 7.4968 7.4968 7.6199 7.6199 8.1088 8.1088 8.1497 8.1497 8.3928 8.3928 8.5125 8.5125 8.6824 8.6824 8.7964 8.7964 8.9669 8.9669 8.9973 8.9973 9.0427 9.0427 9.1312 9.1312 9.1748 9.1748 9.3796 9.3796 k = 0.0000 0.0000 0.2021 ( 41837 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3357 -47.3357 -47.3357 -47.3357 -47.2927 -47.2927 -47.2927 -47.2927 -47.2923 -47.2923 -47.2923 -47.2923 -19.3782 -19.3782 -19.3781 -19.3781 -19.3765 -19.3765 -19.3765 -19.3765 -19.3396 -19.3396 -19.3396 -19.3396 -19.3362 -19.3362 -19.3362 -19.3362 -19.2069 -19.2069 -19.2069 -19.2069 -19.2063 -19.2063 -19.2063 -19.2063 -19.1884 -19.1884 -19.1883 -19.1883 -19.1864 -19.1864 -19.1864 -19.1864 -19.1692 -19.1692 -19.1692 -19.1692 -19.1654 -19.1654 -19.1654 -19.1654 -19.1511 -19.1511 -19.1510 -19.1510 -19.1478 -19.1478 -19.1478 -19.1478 -18.1504 -18.1504 -18.1504 -18.1504 -18.1399 -18.1399 -18.1398 -18.1398 -18.1187 -18.1187 -18.1187 -18.1187 -18.1142 -18.1142 -18.1142 -18.1142 -17.1453 -17.1453 -17.1453 -17.1453 -17.1279 -17.1279 -17.1278 -17.1278 -17.0945 -17.0945 -17.0944 -17.0944 -17.0886 -17.0886 -17.0885 -17.0885 -17.0769 -17.0769 -17.0768 -17.0768 -17.0712 -17.0712 -17.0712 -17.0712 -9.3743 -9.3743 -9.3336 -9.3336 -8.3654 -8.3654 -8.2458 -8.2458 -7.9821 -7.9821 -7.9617 -7.9617 -7.7949 -7.7949 -7.7374 -7.7374 -7.6096 -7.6096 -7.5710 -7.5710 -7.5508 -7.5508 -7.5450 -7.5450 -3.1962 -3.1962 -3.1595 -3.1595 -2.0560 -2.0560 -2.0109 -2.0109 -0.1623 -0.1623 -0.1434 -0.1434 -0.0342 -0.0342 -0.0192 -0.0192 0.4207 0.4207 0.6871 0.6871 0.9509 0.9509 0.9665 0.9665 1.2249 1.2249 1.3252 1.3252 1.4357 1.4357 1.5520 1.5520 2.1341 2.1341 2.1938 2.1938 2.2984 2.2984 2.3876 2.3876 2.4181 2.4181 2.4800 2.4800 2.5509 2.5509 2.5735 2.5735 2.7095 2.7095 2.8182 2.8182 2.8674 2.8674 2.9192 2.9192 3.0552 3.0552 3.1058 3.1058 3.1329 3.1329 3.2422 3.2422 3.3327 3.3327 3.3752 3.3752 3.4778 3.4778 3.7340 3.7340 5.3002 5.3002 5.7748 5.7748 5.9177 5.9177 6.0707 6.0707 7.3837 7.3837 7.4509 7.4509 7.4957 7.4957 7.6379 7.6379 8.1106 8.1106 8.1671 8.1671 8.3705 8.3705 8.5176 8.5176 8.6666 8.6666 8.7749 8.7749 8.9500 8.9500 8.9793 8.9793 9.0390 9.0390 9.1031 9.1031 9.1528 9.1528 9.3430 9.3430 k = 0.0000 0.0000 0.2526 ( 41839 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3357 -47.3357 -47.3357 -47.3357 -47.2927 -47.2927 -47.2927 -47.2927 -47.2923 -47.2923 -47.2923 -47.2923 -19.3782 -19.3782 -19.3781 -19.3781 -19.3765 -19.3765 -19.3765 -19.3765 -19.3396 -19.3396 -19.3396 -19.3396 -19.3363 -19.3363 -19.3362 -19.3362 -19.2069 -19.2069 -19.2069 -19.2069 -19.2064 -19.2064 -19.2063 -19.2063 -19.1884 -19.1884 -19.1883 -19.1883 -19.1864 -19.1864 -19.1864 -19.1864 -19.1692 -19.1692 -19.1692 -19.1692 -19.1654 -19.1654 -19.1654 -19.1654 -19.1510 -19.1510 -19.1510 -19.1510 -19.1478 -19.1478 -19.1478 -19.1478 -18.1504 -18.1504 -18.1504 -18.1504 -18.1399 -18.1399 -18.1398 -18.1398 -18.1187 -18.1187 -18.1187 -18.1187 -18.1142 -18.1142 -18.1142 -18.1142 -17.1453 -17.1453 -17.1453 -17.1453 -17.1279 -17.1279 -17.1278 -17.1278 -17.0944 -17.0944 -17.0944 -17.0944 -17.0886 -17.0886 -17.0885 -17.0885 -17.0769 -17.0769 -17.0768 -17.0768 -17.0712 -17.0712 -17.0712 -17.0712 -9.3726 -9.3726 -9.3320 -9.3320 -8.3627 -8.3627 -8.2442 -8.2442 -7.9827 -7.9827 -7.9623 -7.9623 -7.7952 -7.7952 -7.7391 -7.7391 -7.6124 -7.6124 -7.5738 -7.5738 -7.5522 -7.5522 -7.5484 -7.5484 -3.1967 -3.1967 -3.1578 -3.1578 -2.0481 -2.0481 -2.0036 -2.0036 -0.1650 -0.1650 -0.1428 -0.1428 -0.0375 -0.0375 -0.0187 -0.0187 0.4318 0.4318 0.6900 0.6900 0.9579 0.9579 0.9749 0.9749 1.2206 1.2206 1.3191 1.3191 1.4287 1.4287 1.5491 1.5491 2.1371 2.1371 2.1993 2.1993 2.3055 2.3055 2.3873 2.3873 2.4234 2.4234 2.4834 2.4834 2.5565 2.5565 2.5849 2.5849 2.7155 2.7155 2.8158 2.8158 2.8601 2.8601 2.9229 2.9229 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8.6809 8.6809 8.7468 8.7468 8.8046 8.8046 9.0020 9.0020 9.0490 9.0490 9.2673 9.2673 k = 0.0000 0.0000 1.1620 ( 41816 PWs) bands (ev): -47.3359 -47.3359 -47.3358 -47.3358 -47.3357 -47.3357 -47.3357 -47.3357 -47.2926 -47.2926 -47.2926 -47.2926 -47.2924 -47.2924 -47.2923 -47.2923 -19.3782 -19.3782 -19.3781 -19.3781 -19.3765 -19.3765 -19.3765 -19.3765 -19.3389 -19.3389 -19.3389 -19.3389 -19.3370 -19.3370 -19.3370 -19.3370 -19.2069 -19.2069 -19.2069 -19.2069 -19.2063 -19.2063 -19.2063 -19.2063 -19.1884 -19.1884 -19.1883 -19.1883 -19.1864 -19.1864 -19.1864 -19.1864 -19.1685 -19.1685 -19.1685 -19.1685 -19.1659 -19.1659 -19.1659 -19.1659 -19.1499 -19.1499 -19.1499 -19.1499 -19.1491 -19.1491 -19.1491 -19.1491 -18.1505 -18.1505 -18.1504 -18.1504 -18.1399 -18.1399 -18.1398 -18.1398 -18.1187 -18.1187 -18.1186 -18.1186 -18.1142 -18.1142 -18.1142 -18.1142 -17.1453 -17.1453 -17.1453 -17.1453 -17.1279 -17.1279 -17.1278 -17.1278 -17.0944 -17.0944 -17.0944 -17.0944 -17.0885 -17.0885 -17.0885 -17.0885 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8.7915 8.9957 8.9957 9.0278 9.0278 9.3953 9.3953 k = 0.0000 0.0000 1.2125 ( 41808 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3357 -47.3357 -47.3357 -47.3357 -47.2926 -47.2926 -47.2926 -47.2926 -47.2924 -47.2924 -47.2923 -47.2923 -19.3782 -19.3782 -19.3781 -19.3781 -19.3765 -19.3765 -19.3765 -19.3765 -19.3388 -19.3388 -19.3388 -19.3388 -19.3370 -19.3370 -19.3370 -19.3370 -19.2069 -19.2069 -19.2069 -19.2069 -19.2063 -19.2063 -19.2063 -19.2063 -19.1884 -19.1884 -19.1883 -19.1883 -19.1864 -19.1864 -19.1864 -19.1864 -19.1685 -19.1685 -19.1685 -19.1685 -19.1659 -19.1659 -19.1659 -19.1659 -19.1499 -19.1499 -19.1499 -19.1499 -19.1492 -19.1492 -19.1491 -19.1491 -18.1505 -18.1505 -18.1504 -18.1504 -18.1399 -18.1399 -18.1398 -18.1398 -18.1187 -18.1187 -18.1186 -18.1186 -18.1142 -18.1142 -18.1142 -18.1142 -17.1453 -17.1453 -17.1453 -17.1453 -17.1279 -17.1279 -17.1278 -17.1278 -17.0944 -17.0944 -17.0944 -17.0944 -17.0885 -17.0885 -17.0885 -17.0885 -17.0769 -17.0769 -17.0768 -17.0768 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9.0278 9.0278 9.3953 9.3953 k = 0.0000 0.0493 1.2125 ( 41822 PWs) bands (ev): -47.3359 -47.3359 -47.3358 -47.3358 -47.3357 -47.3357 -47.3357 -47.3357 -47.2926 -47.2926 -47.2926 -47.2926 -47.2924 -47.2924 -47.2923 -47.2923 -19.3782 -19.3782 -19.3781 -19.3781 -19.3765 -19.3765 -19.3765 -19.3765 -19.3389 -19.3389 -19.3388 -19.3388 -19.3370 -19.3370 -19.3370 -19.3370 -19.2070 -19.2070 -19.2068 -19.2068 -19.2064 -19.2064 -19.2063 -19.2063 -19.1884 -19.1884 -19.1883 -19.1883 -19.1865 -19.1865 -19.1863 -19.1863 -19.1685 -19.1685 -19.1685 -19.1685 -19.1659 -19.1659 -19.1659 -19.1659 -19.1499 -19.1499 -19.1499 -19.1499 -19.1492 -19.1492 -19.1491 -19.1491 -18.1505 -18.1505 -18.1504 -18.1504 -18.1399 -18.1399 -18.1398 -18.1398 -18.1187 -18.1187 -18.1186 -18.1186 -18.1142 -18.1142 -18.1141 -18.1141 -17.1454 -17.1454 -17.1452 -17.1452 -17.1281 -17.1281 -17.1276 -17.1276 -17.0945 -17.0945 -17.0942 -17.0942 -17.0886 -17.0886 -17.0885 -17.0885 -17.0770 -17.0770 -17.0768 -17.0768 -17.0712 -17.0712 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9.3927 9.3927 k = 0.0000 0.0987 1.2125 ( 41829 PWs) bands (ev): -47.3359 -47.3359 -47.3358 -47.3358 -47.3357 -47.3357 -47.3357 -47.3357 -47.2926 -47.2926 -47.2926 -47.2926 -47.2924 -47.2924 -47.2923 -47.2923 -19.3782 -19.3782 -19.3781 -19.3781 -19.3765 -19.3765 -19.3765 -19.3765 -19.3389 -19.3389 -19.3388 -19.3388 -19.3370 -19.3370 -19.3370 -19.3370 -19.2070 -19.2070 -19.2067 -19.2067 -19.2065 -19.2065 -19.2062 -19.2062 -19.1885 -19.1885 -19.1882 -19.1882 -19.1865 -19.1865 -19.1863 -19.1863 -19.1685 -19.1685 -19.1685 -19.1685 -19.1659 -19.1659 -19.1659 -19.1659 -19.1499 -19.1499 -19.1499 -19.1499 -19.1492 -19.1492 -19.1491 -19.1491 -18.1505 -18.1505 -18.1503 -18.1503 -18.1400 -18.1400 -18.1398 -18.1398 -18.1187 -18.1187 -18.1186 -18.1186 -18.1142 -18.1142 -18.1141 -18.1141 -17.1455 -17.1455 -17.1450 -17.1450 -17.1284 -17.1284 -17.1274 -17.1274 -17.0946 -17.0946 -17.0941 -17.0941 -17.0886 -17.0886 -17.0884 -17.0884 -17.0770 -17.0770 -17.0767 -17.0767 -17.0713 -17.0713 -17.0710 -17.0710 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0.1480 1.2125 ( 41830 PWs) bands (ev): -47.3359 -47.3359 -47.3358 -47.3358 -47.3357 -47.3357 -47.3357 -47.3357 -47.2926 -47.2926 -47.2926 -47.2926 -47.2924 -47.2924 -47.2924 -47.2924 -19.3782 -19.3782 -19.3781 -19.3781 -19.3765 -19.3765 -19.3765 -19.3765 -19.3389 -19.3389 -19.3389 -19.3389 -19.3370 -19.3370 -19.3370 -19.3370 -19.2071 -19.2071 -19.2067 -19.2067 -19.2066 -19.2066 -19.2061 -19.2061 -19.1886 -19.1886 -19.1881 -19.1881 -19.1866 -19.1866 -19.1862 -19.1862 -19.1685 -19.1685 -19.1685 -19.1685 -19.1659 -19.1659 -19.1659 -19.1659 -19.1500 -19.1500 -19.1499 -19.1499 -19.1491 -19.1491 -19.1491 -19.1491 -18.1504 -18.1504 -18.1502 -18.1502 -18.1401 -18.1401 -18.1398 -18.1398 -18.1187 -18.1187 -18.1185 -18.1185 -18.1143 -18.1143 -18.1141 -18.1141 -17.1456 -17.1456 -17.1448 -17.1448 -17.1287 -17.1287 -17.1272 -17.1272 -17.0947 -17.0947 -17.0939 -17.0939 -17.0887 -17.0887 -17.0884 -17.0884 -17.0771 -17.0771 -17.0765 -17.0765 -17.0715 -17.0715 -17.0710 -17.0710 -9.3202 -9.3202 -9.2856 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6.1322 6.1322 7.0035 7.0035 7.0365 7.0365 7.1282 7.1282 7.1793 7.1793 7.8416 7.8416 7.8484 7.8484 7.9670 7.9670 8.0227 8.0227 8.5427 8.5427 8.5537 8.5537 8.6870 8.6870 8.7504 8.7504 9.0221 9.0221 9.0556 9.0556 9.5025 9.5025 9.5247 9.5247 k = 0.0000 1.3134 0.6658 ( 41876 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.2927 -47.2927 -47.2927 -47.2927 -47.2923 -47.2923 -47.2923 -47.2923 -19.3775 -19.3775 -19.3775 -19.3775 -19.3774 -19.3774 -19.3774 -19.3774 -19.3395 -19.3395 -19.3395 -19.3395 -19.3365 -19.3365 -19.3365 -19.3365 -19.2079 -19.2079 -19.2079 -19.2079 -19.2054 -19.2054 -19.2054 -19.2054 -19.1887 -19.1887 -19.1887 -19.1887 -19.1864 -19.1864 -19.1864 -19.1864 -19.1690 -19.1690 -19.1690 -19.1690 -19.1657 -19.1657 -19.1657 -19.1657 -19.1510 -19.1510 -19.1510 -19.1510 -19.1482 -19.1482 -19.1482 -19.1482 -18.1459 -18.1459 -18.1459 -18.1459 -18.1446 -18.1446 -18.1446 -18.1446 -18.1164 -18.1164 -18.1164 -18.1164 -18.1154 -18.1154 -18.1154 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8.5445 8.5445 8.5658 8.5658 8.7127 8.7127 8.7339 8.7339 9.0294 9.0294 9.0440 9.0440 9.4965 9.4965 9.5066 9.5066 k = 0.2000 1.3134 0.6658 ( 41878 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.2927 -47.2927 -47.2927 -47.2927 -47.2923 -47.2923 -47.2923 -47.2923 -19.3775 -19.3775 -19.3775 -19.3775 -19.3774 -19.3774 -19.3773 -19.3773 -19.3395 -19.3395 -19.3395 -19.3395 -19.3365 -19.3365 -19.3365 -19.3365 -19.2079 -19.2079 -19.2079 -19.2079 -19.2054 -19.2054 -19.2054 -19.2054 -19.1887 -19.1887 -19.1887 -19.1887 -19.1864 -19.1864 -19.1864 -19.1864 -19.1690 -19.1690 -19.1690 -19.1690 -19.1657 -19.1657 -19.1657 -19.1657 -19.1510 -19.1510 -19.1510 -19.1510 -19.1482 -19.1482 -19.1482 -19.1482 -18.1460 -18.1460 -18.1459 -18.1459 -18.1446 -18.1446 -18.1446 -18.1446 -18.1165 -18.1165 -18.1164 -18.1164 -18.1155 -18.1155 -18.1154 -18.1154 -17.1395 -17.1395 -17.1395 -17.1395 -17.1335 -17.1335 -17.1335 -17.1335 -17.0921 -17.0921 -17.0921 -17.0921 -17.0897 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8.7096 8.7096 8.7371 8.7371 9.0284 9.0284 9.0482 9.0482 9.4879 9.4879 9.4998 9.4998 k = 0.2500 1.3134 0.6658 ( 41886 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.2927 -47.2927 -47.2927 -47.2927 -47.2923 -47.2923 -47.2923 -47.2923 -19.3775 -19.3775 -19.3775 -19.3775 -19.3774 -19.3774 -19.3774 -19.3774 -19.3396 -19.3396 -19.3396 -19.3396 -19.3365 -19.3365 -19.3365 -19.3365 -19.2079 -19.2079 -19.2079 -19.2079 -19.2054 -19.2054 -19.2054 -19.2054 -19.1887 -19.1887 -19.1887 -19.1887 -19.1864 -19.1864 -19.1864 -19.1864 -19.1691 -19.1691 -19.1690 -19.1690 -19.1657 -19.1657 -19.1657 -19.1657 -19.1510 -19.1510 -19.1510 -19.1510 -19.1482 -19.1482 -19.1482 -19.1482 -18.1460 -18.1460 -18.1459 -18.1459 -18.1446 -18.1446 -18.1446 -18.1446 -18.1165 -18.1165 -18.1164 -18.1164 -18.1155 -18.1155 -18.1154 -18.1154 -17.1395 -17.1395 -17.1395 -17.1395 -17.1335 -17.1335 -17.1335 -17.1335 -17.0921 -17.0921 -17.0921 -17.0921 -17.0897 -17.0897 -17.0896 -17.0896 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9.0294 9.0294 9.0543 9.0543 9.4784 9.4784 9.4911 9.4911 k = 0.3000 1.3134 0.6658 ( 41902 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.2927 -47.2927 -47.2927 -47.2927 -47.2923 -47.2923 -47.2923 -47.2923 -19.3775 -19.3775 -19.3775 -19.3775 -19.3774 -19.3774 -19.3774 -19.3774 -19.3396 -19.3396 -19.3396 -19.3396 -19.3365 -19.3365 -19.3365 -19.3365 -19.2079 -19.2079 -19.2079 -19.2079 -19.2055 -19.2055 -19.2054 -19.2054 -19.1887 -19.1887 -19.1887 -19.1887 -19.1864 -19.1864 -19.1864 -19.1864 -19.1691 -19.1691 -19.1690 -19.1690 -19.1657 -19.1657 -19.1657 -19.1657 -19.1510 -19.1510 -19.1510 -19.1510 -19.1482 -19.1482 -19.1482 -19.1482 -18.1460 -18.1460 -18.1460 -18.1460 -18.1447 -18.1447 -18.1446 -18.1446 -18.1165 -18.1165 -18.1164 -18.1164 -18.1155 -18.1155 -18.1154 -18.1154 -17.1396 -17.1396 -17.1396 -17.1396 -17.1335 -17.1335 -17.1335 -17.1335 -17.0921 -17.0921 -17.0921 -17.0921 -17.0897 -17.0897 -17.0896 -17.0896 -17.0759 -17.0759 -17.0758 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9.4689 9.4689 9.4816 9.4816 k = 0.3500 1.3134 0.6658 ( 41898 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.2927 -47.2927 -47.2927 -47.2927 -47.2923 -47.2923 -47.2923 -47.2923 -19.3775 -19.3775 -19.3775 -19.3775 -19.3774 -19.3774 -19.3774 -19.3774 -19.3396 -19.3396 -19.3396 -19.3396 -19.3365 -19.3365 -19.3365 -19.3365 -19.2079 -19.2079 -19.2079 -19.2079 -19.2054 -19.2054 -19.2054 -19.2054 -19.1887 -19.1887 -19.1887 -19.1887 -19.1864 -19.1864 -19.1864 -19.1864 -19.1691 -19.1691 -19.1690 -19.1690 -19.1657 -19.1657 -19.1657 -19.1657 -19.1510 -19.1510 -19.1510 -19.1510 -19.1482 -19.1482 -19.1482 -19.1482 -18.1460 -18.1460 -18.1459 -18.1459 -18.1447 -18.1447 -18.1446 -18.1446 -18.1165 -18.1165 -18.1164 -18.1164 -18.1155 -18.1155 -18.1154 -18.1154 -17.1396 -17.1396 -17.1395 -17.1395 -17.1335 -17.1335 -17.1335 -17.1335 -17.0921 -17.0921 -17.0921 -17.0921 -17.0897 -17.0897 -17.0896 -17.0896 -17.0759 -17.0759 -17.0758 -17.0758 -17.0727 -17.0727 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9.4723 k = 0.4000 1.3134 0.6658 ( 41884 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.2927 -47.2927 -47.2927 -47.2927 -47.2923 -47.2923 -47.2923 -47.2923 -19.3775 -19.3775 -19.3775 -19.3775 -19.3774 -19.3774 -19.3774 -19.3774 -19.3396 -19.3396 -19.3396 -19.3396 -19.3365 -19.3365 -19.3365 -19.3365 -19.2079 -19.2079 -19.2079 -19.2079 -19.2054 -19.2054 -19.2054 -19.2054 -19.1887 -19.1887 -19.1887 -19.1887 -19.1864 -19.1864 -19.1864 -19.1864 -19.1690 -19.1690 -19.1690 -19.1690 -19.1657 -19.1657 -19.1657 -19.1657 -19.1510 -19.1510 -19.1510 -19.1510 -19.1482 -19.1482 -19.1482 -19.1482 -18.1460 -18.1460 -18.1459 -18.1459 -18.1447 -18.1447 -18.1446 -18.1446 -18.1165 -18.1165 -18.1164 -18.1164 -18.1155 -18.1155 -18.1154 -18.1154 -17.1396 -17.1396 -17.1395 -17.1395 -17.1335 -17.1335 -17.1335 -17.1335 -17.0921 -17.0921 -17.0921 -17.0921 -17.0897 -17.0897 -17.0896 -17.0896 -17.0759 -17.0759 -17.0758 -17.0758 -17.0727 -17.0727 -17.0727 -17.0727 -8.8281 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-7.6215 -2.8888 -2.8888 -2.8837 -2.8837 -2.7383 -2.7383 -2.7336 -2.7336 0.5234 0.5234 0.5493 0.5493 0.7105 0.7105 0.7244 0.7244 0.8669 0.8669 0.8686 0.8686 0.9438 0.9438 0.9584 0.9584 1.2256 1.2256 1.2413 1.2413 1.4952 1.4952 1.5096 1.5096 1.9399 1.9399 1.9610 1.9610 2.1785 2.1785 2.1819 2.1819 2.3169 2.3169 2.3304 2.3304 2.5290 2.5290 2.5883 2.5883 2.6697 2.6697 2.6867 2.6867 2.7453 2.7453 2.7728 2.7728 3.0648 3.0648 3.0965 3.0965 3.2423 3.2423 3.2703 3.2703 3.3624 3.3624 3.3946 3.3946 3.5153 3.5153 3.5197 3.5197 5.8557 5.8557 5.8971 5.8971 6.1216 6.1216 6.1607 6.1607 7.0388 7.0388 7.0458 7.0458 7.1899 7.1899 7.1944 7.1944 7.7841 7.7841 7.7963 7.7963 7.8886 7.8886 7.9053 7.9053 8.5061 8.5061 8.5175 8.5175 8.7633 8.7633 8.7843 8.7843 9.0178 9.0178 9.0496 9.0496 9.4463 9.4463 9.4482 9.4482 k = 0.5000 1.4289 0.4380 ( 41896 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.2927 -47.2927 -47.2927 -47.2927 -47.2923 -47.2923 -47.2923 -47.2923 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-2.8998 -2.8998 -2.7181 -2.7181 -2.7135 -2.7135 0.5060 0.5060 0.5307 0.5307 0.7174 0.7174 0.7316 0.7316 0.8541 0.8541 0.8563 0.8563 0.9449 0.9449 0.9574 0.9574 1.2138 1.2138 1.2272 1.2272 1.5095 1.5095 1.5276 1.5276 1.9363 1.9363 1.9629 1.9629 2.1823 2.1823 2.1870 2.1870 2.3194 2.3194 2.3418 2.3418 2.5392 2.5392 2.6018 2.6018 2.6665 2.6665 2.6965 2.6965 2.7551 2.7551 2.7909 2.7909 3.0636 3.0636 3.0948 3.0948 3.2350 3.2350 3.2647 3.2647 3.3468 3.3468 3.3786 3.3786 3.5140 3.5140 3.5169 3.5169 5.8557 5.8557 5.8960 5.8960 6.1226 6.1226 6.1619 6.1619 7.0279 7.0279 7.0374 7.0374 7.2122 7.2122 7.2195 7.2195 7.7685 7.7685 7.7794 7.7794 7.9026 7.9026 7.9185 7.9185 8.4835 8.4835 8.4928 8.4928 8.7768 8.7768 8.7947 8.7947 9.0179 9.0179 9.0445 9.0445 9.4401 9.4401 9.4414 9.4414 k = 0.5000 1.4520 0.3924 ( 41896 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.2927 -47.2927 -47.2927 -47.2927 -47.2923 -47.2923 -47.2923 -47.2923 -19.3776 -19.3776 -19.3775 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0.7125 0.8217 0.8217 0.8362 0.8362 0.9283 0.9283 0.9316 0.9316 1.1875 1.1875 1.1890 1.1890 1.5554 1.5554 1.5889 1.5889 1.9503 1.9503 1.9941 1.9941 2.1752 2.1752 2.2188 2.2188 2.3430 2.3430 2.4017 2.4017 2.5808 2.5808 2.6299 2.6299 2.7013 2.7013 2.7404 2.7404 2.8141 2.8141 2.8659 2.8659 3.0623 3.0623 3.0916 3.0916 3.1941 3.1941 3.2229 3.2229 3.2804 3.2804 3.3022 3.3022 3.4958 3.4958 3.5001 3.5001 5.8486 5.8486 5.8833 5.8833 6.1303 6.1303 6.1693 6.1693 7.0084 7.0084 7.0256 7.0256 7.2965 7.2965 7.3135 7.3135 7.7186 7.7186 7.7231 7.7231 7.9760 7.9760 7.9858 7.9858 8.4124 8.4124 8.4129 8.4129 8.7435 8.7435 8.7462 8.7462 9.0843 9.0843 9.0854 9.0854 9.3841 9.3841 9.3934 9.3934 k = 0.5000 1.5444 0.2102 ( 41888 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.2927 -47.2927 -47.2927 -47.2927 -47.2923 -47.2923 -47.2923 -47.2923 -19.3777 -19.3777 -19.3776 -19.3776 -19.3773 -19.3773 -19.3771 -19.3771 -19.3393 -19.3393 -19.3393 -19.3393 -19.3367 -19.3367 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0.8345 0.9223 0.9223 0.9249 0.9249 1.1852 1.1852 1.1861 1.1861 1.5641 1.5641 1.6001 1.6001 1.9619 1.9619 2.0068 2.0068 2.1738 2.1738 2.2270 2.2270 2.3508 2.3508 2.4164 2.4164 2.5885 2.5885 2.6284 2.6284 2.7196 2.7196 2.7515 2.7515 2.8308 2.8308 2.8827 2.8827 3.0635 3.0635 3.0922 3.0922 3.1813 3.1813 3.2050 3.2050 3.2708 3.2708 3.2851 3.2851 3.4882 3.4882 3.4947 3.4947 5.8449 5.8449 5.8780 5.8780 6.1325 6.1325 6.1710 6.1710 7.0099 7.0099 7.0287 7.0287 7.3134 7.3134 7.3327 7.3327 7.7134 7.7134 7.7166 7.7166 7.9992 7.9992 8.0063 8.0063 8.3944 8.3944 8.3977 8.3977 8.7290 8.7290 8.7303 8.7303 9.0966 9.0966 9.0995 9.0995 9.3664 9.3664 9.3764 9.3764 k = 0.5000 1.5675 0.1646 ( 41876 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.2927 -47.2927 -47.2927 -47.2927 -47.2923 -47.2923 -47.2923 -47.2923 -19.3777 -19.3777 -19.3776 -19.3776 -19.3772 -19.3772 -19.3771 -19.3771 -19.3393 -19.3393 -19.3393 -19.3393 -19.3368 -19.3368 -19.3368 -19.3368 -19.2079 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0.9215 1.1832 1.1832 1.1861 1.1861 1.5726 1.5726 1.6102 1.6102 1.9757 1.9757 2.0204 2.0204 2.1740 2.1740 2.2366 2.2366 2.3580 2.3580 2.4291 2.4291 2.5951 2.5951 2.6267 2.6267 2.7366 2.7366 2.7615 2.7615 2.8467 2.8467 2.8976 2.8976 3.0653 3.0653 3.0929 3.0929 3.1678 3.1678 3.1862 3.1862 3.2651 3.2651 3.2711 3.2711 3.4798 3.4798 3.4887 3.4887 5.8406 5.8406 5.8721 5.8721 6.1344 6.1344 6.1722 6.1722 7.0140 7.0140 7.0340 7.0340 7.3282 7.3282 7.3498 7.3498 7.7120 7.7120 7.7143 7.7143 8.0239 8.0239 8.0281 8.0281 8.3764 8.3764 8.3822 8.3822 8.7178 8.7178 8.7187 8.7187 9.1030 9.1030 9.1090 9.1090 9.3477 9.3477 9.3578 9.3578 k = 0.5000 1.5906 0.1191 ( 41870 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.2927 -47.2927 -47.2927 -47.2927 -47.2923 -47.2923 -47.2923 -47.2923 -19.3777 -19.3777 -19.3776 -19.3776 -19.3772 -19.3772 -19.3771 -19.3771 -19.3392 -19.3392 -19.3392 -19.3392 -19.3368 -19.3368 -19.3368 -19.3368 -19.2079 -19.2079 -19.2078 -19.2078 -19.2056 -19.2056 -19.2054 -19.2054 -19.1890 -19.1890 -19.1883 -19.1883 -19.1867 -19.1867 -19.1861 -19.1861 -19.1688 -19.1688 -19.1688 -19.1688 -19.1657 -19.1657 -19.1657 -19.1657 -19.1506 -19.1506 -19.1506 -19.1506 -19.1487 -19.1487 -19.1487 -19.1487 -18.1476 -18.1476 -18.1464 -18.1464 -18.1443 -18.1443 -18.1430 -18.1430 -18.1172 -18.1172 -18.1162 -18.1162 -18.1157 -18.1157 -18.1148 -18.1148 -17.1420 -17.1420 -17.1369 -17.1369 -17.1368 -17.1368 -17.1306 -17.1306 -17.0934 -17.0934 -17.0909 -17.0909 -17.0905 -17.0905 -17.0890 -17.0890 -17.0767 -17.0767 -17.0747 -17.0747 -17.0737 -17.0737 -17.0719 -17.0719 -8.9806 -8.9806 -8.9799 -8.9799 -8.6530 -8.6530 -8.6530 -8.6530 -7.9161 -7.9161 -7.9155 -7.9155 -7.8649 -7.8649 -7.8634 -7.8634 -7.6568 -7.6568 -7.6565 -7.6565 -7.6125 -7.6125 -7.6108 -7.6108 -2.9977 -2.9977 -2.9924 -2.9924 -2.5787 -2.5787 -2.5739 -2.5739 0.3537 0.3537 0.3742 0.3742 0.6596 0.6596 0.6705 0.6705 0.8002 0.8002 0.8196 0.8196 0.9166 0.9166 0.9219 0.9219 1.1825 1.1825 1.1870 1.1870 1.5812 1.5812 1.6197 1.6197 1.9908 1.9908 2.0340 2.0340 2.1763 2.1763 2.2481 2.2481 2.3639 2.3639 2.4390 2.4390 2.6011 2.6011 2.6256 2.6256 2.7506 2.7506 2.7696 2.7696 2.8611 2.8611 2.9100 2.9100 3.0674 3.0674 3.0928 3.0928 3.1545 3.1545 3.1697 3.1697 3.2610 3.2610 3.2624 3.2624 3.4708 3.4708 3.4823 3.4823 5.8361 5.8361 5.8659 5.8659 6.1357 6.1357 6.1727 6.1727 7.0205 7.0205 7.0416 7.0416 7.3411 7.3411 7.3652 7.3652 7.7142 7.7142 7.7162 7.7162 8.0497 8.0497 8.0505 8.0505 8.3582 8.3582 8.3663 8.3663 8.7116 8.7116 8.7129 8.7129 9.1032 9.1032 9.1115 9.1115 9.3281 9.3281 9.3378 9.3378 k = 0.5000 1.5906 0.1191 ( 41870 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.2927 -47.2927 -47.2927 -47.2927 -47.2923 -47.2923 -47.2923 -47.2923 -19.3777 -19.3777 -19.3776 -19.3776 -19.3772 -19.3772 -19.3771 -19.3771 -19.3392 -19.3392 -19.3392 -19.3392 -19.3368 -19.3368 -19.3368 -19.3368 -19.2079 -19.2079 -19.2078 -19.2078 -19.2056 -19.2056 -19.2054 -19.2054 -19.1890 -19.1890 -19.1883 -19.1883 -19.1867 -19.1867 -19.1861 -19.1861 -19.1688 -19.1688 -19.1688 -19.1688 -19.1657 -19.1657 -19.1657 -19.1657 -19.1506 -19.1506 -19.1506 -19.1506 -19.1487 -19.1487 -19.1487 -19.1487 -18.1476 -18.1476 -18.1464 -18.1464 -18.1443 -18.1443 -18.1430 -18.1430 -18.1172 -18.1172 -18.1162 -18.1162 -18.1157 -18.1157 -18.1148 -18.1148 -17.1420 -17.1420 -17.1369 -17.1369 -17.1368 -17.1368 -17.1306 -17.1306 -17.0934 -17.0934 -17.0909 -17.0909 -17.0905 -17.0905 -17.0890 -17.0890 -17.0767 -17.0767 -17.0747 -17.0747 -17.0737 -17.0737 -17.0719 -17.0719 -8.9806 -8.9806 -8.9799 -8.9799 -8.6530 -8.6530 -8.6530 -8.6530 -7.9161 -7.9161 -7.9155 -7.9155 -7.8649 -7.8649 -7.8634 -7.8634 -7.6568 -7.6568 -7.6565 -7.6565 -7.6125 -7.6125 -7.6108 -7.6108 -2.9977 -2.9977 -2.9924 -2.9924 -2.5787 -2.5787 -2.5739 -2.5739 0.3537 0.3537 0.3742 0.3742 0.6596 0.6596 0.6705 0.6705 0.8002 0.8002 0.8196 0.8196 0.9166 0.9166 0.9219 0.9219 1.1825 1.1825 1.1870 1.1870 1.5812 1.5812 1.6197 1.6197 1.9908 1.9908 2.0340 2.0340 2.1763 2.1763 2.2481 2.2481 2.3639 2.3639 2.4390 2.4390 2.6011 2.6011 2.6256 2.6256 2.7506 2.7506 2.7696 2.7696 2.8611 2.8611 2.9100 2.9100 3.0674 3.0674 3.0928 3.0928 3.1545 3.1545 3.1697 3.1697 3.2610 3.2610 3.2624 3.2624 3.4708 3.4708 3.4823 3.4823 5.8361 5.8361 5.8659 5.8659 6.1357 6.1357 6.1727 6.1727 7.0205 7.0205 7.0416 7.0416 7.3411 7.3411 7.3652 7.3652 7.7142 7.7142 7.7162 7.7162 8.0497 8.0497 8.0505 8.0505 8.3582 8.3582 8.3663 8.3663 8.7116 8.7116 8.7129 8.7129 9.1032 9.1032 9.1115 9.1115 9.3281 9.3281 9.3378 9.3378 k = 0.5000 1.5708 0.0715 ( 41872 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.2927 -47.2927 -47.2927 -47.2927 -47.2923 -47.2923 -47.2923 -47.2923 -19.3777 -19.3777 -19.3776 -19.3776 -19.3772 -19.3772 -19.3771 -19.3771 -19.3392 -19.3392 -19.3392 -19.3392 -19.3368 -19.3368 -19.3368 -19.3368 -19.2079 -19.2079 -19.2078 -19.2078 -19.2056 -19.2056 -19.2054 -19.2054 -19.1890 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1.9783 2.0343 2.0343 2.1874 2.1874 2.2593 2.2593 2.3820 2.3820 2.4565 2.4565 2.6129 2.6129 2.6296 2.6296 2.7564 2.7564 2.7721 2.7721 2.8717 2.8717 2.9156 2.9156 3.0728 3.0728 3.0953 3.0953 3.1456 3.1456 3.1622 3.1622 3.2480 3.2480 3.2527 3.2527 3.4654 3.4654 3.4781 3.4781 5.8417 5.8417 5.8701 5.8701 6.1414 6.1414 6.1774 6.1774 7.0251 7.0251 7.0450 7.0450 7.3254 7.3254 7.3461 7.3461 7.7332 7.7332 7.7333 7.7333 8.0442 8.0442 8.0453 8.0453 8.3384 8.3384 8.3472 8.3472 8.6997 8.6997 8.7000 8.7000 9.0885 9.0885 9.0983 9.0983 9.3299 9.3299 9.3409 9.3409 k = 0.5000 1.5510 0.0240 ( 41852 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.2927 -47.2927 -47.2927 -47.2927 -47.2923 -47.2923 -47.2923 -47.2923 -19.3777 -19.3777 -19.3776 -19.3776 -19.3772 -19.3772 -19.3771 -19.3771 -19.3392 -19.3392 -19.3392 -19.3392 -19.3368 -19.3368 -19.3368 -19.3368 -19.2079 -19.2079 -19.2078 -19.2078 -19.2055 -19.2055 -19.2054 -19.2054 -19.1890 -19.1890 -19.1884 -19.1884 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2.1992 2.2717 2.2717 2.3988 2.3988 2.4697 2.4697 2.6237 2.6237 2.6320 2.6320 2.7572 2.7572 2.7730 2.7730 2.8781 2.8781 2.9189 2.9189 3.0782 3.0782 3.0980 3.0980 3.1406 3.1406 3.1585 3.1585 3.2390 3.2390 3.2465 3.2465 3.4602 3.4602 3.4740 3.4740 5.8489 5.8489 5.8758 5.8758 6.1468 6.1468 6.1817 6.1817 7.0298 7.0298 7.0485 7.0485 7.3099 7.3099 7.3265 7.3265 7.7513 7.7513 7.7545 7.7545 8.0386 8.0386 8.0414 8.0414 8.3197 8.3197 8.3293 8.3293 8.6926 8.6926 8.6927 8.6927 9.0692 9.0692 9.0794 9.0794 9.3354 9.3354 9.3475 9.3475 k = 0.5000 1.5312-0.0236 ( 41852 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.2927 -47.2927 -47.2927 -47.2927 -47.2923 -47.2923 -47.2923 -47.2923 -19.3777 -19.3777 -19.3776 -19.3776 -19.3772 -19.3772 -19.3771 -19.3771 -19.3392 -19.3392 -19.3392 -19.3392 -19.3368 -19.3368 -19.3368 -19.3368 -19.2079 -19.2079 -19.2078 -19.2078 -19.2055 -19.2055 -19.2054 -19.2054 -19.1889 -19.1889 -19.1884 -19.1884 -19.1866 -19.1866 -19.1861 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2.4137 2.4786 2.4786 2.6330 2.6330 2.6331 2.6331 2.7527 2.7527 2.7715 2.7715 2.8802 2.8802 2.9182 2.9182 3.0833 3.0833 3.1034 3.1034 3.1391 3.1391 3.1575 3.1575 3.2352 3.2352 3.2440 3.2440 3.4553 3.4553 3.4704 3.4704 5.8578 5.8578 5.8829 5.8829 6.1520 6.1520 6.1855 6.1855 7.0343 7.0343 7.0517 7.0517 7.2943 7.2943 7.3063 7.3063 7.7699 7.7699 7.7777 7.7777 8.0343 8.0343 8.0385 8.0385 8.3026 8.3026 8.3130 8.3130 8.6910 8.6910 8.6915 8.6915 9.0458 9.0458 9.0554 9.0554 9.3437 9.3437 9.3568 9.3568 k = 0.5000 1.5114-0.0712 ( 41842 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.2927 -47.2927 -47.2927 -47.2927 -47.2923 -47.2923 -47.2923 -47.2923 -19.3777 -19.3777 -19.3775 -19.3775 -19.3773 -19.3773 -19.3772 -19.3772 -19.3392 -19.3392 -19.3392 -19.3392 -19.3368 -19.3368 -19.3368 -19.3368 -19.2079 -19.2079 -19.2078 -19.2078 -19.2055 -19.2055 -19.2054 -19.2054 -19.1889 -19.1889 -19.1884 -19.1884 -19.1866 -19.1866 -19.1861 -19.1861 -19.1687 -19.1687 -19.1687 -19.1687 -19.1657 -19.1657 -19.1657 -19.1657 -19.1505 -19.1505 -19.1505 -19.1505 -19.1489 -19.1489 -19.1489 -19.1489 -18.1471 -18.1471 -18.1459 -18.1459 -18.1447 -18.1447 -18.1434 -18.1434 -18.1169 -18.1169 -18.1159 -18.1159 -18.1159 -18.1159 -18.1150 -18.1150 -17.1413 -17.1413 -17.1376 -17.1376 -17.1359 -17.1359 -17.1313 -17.1313 -17.0930 -17.0930 -17.0912 -17.0912 -17.0902 -17.0902 -17.0891 -17.0891 -17.0765 -17.0765 -17.0750 -17.0750 -17.0734 -17.0734 -17.0721 -17.0721 -8.9394 -8.9394 -8.9388 -8.9388 -8.7131 -8.7131 -8.7130 -8.7130 -7.9003 -7.9003 -7.8995 -7.8995 -7.8738 -7.8738 -7.8725 -7.8725 -7.6450 -7.6450 -7.6448 -7.6448 -7.6042 -7.6042 -7.6026 -7.6026 -2.9694 -2.9694 -2.9636 -2.9636 -2.6507 -2.6507 -2.6459 -2.6459 0.3233 0.3233 0.3415 0.3415 0.5414 0.5414 0.5426 0.5426 0.8460 0.8460 0.8559 0.8559 0.9761 0.9761 0.9852 0.9852 1.2291 1.2291 1.2369 1.2369 1.5970 1.5970 1.6577 1.6577 1.9380 1.9380 2.0297 2.0297 2.2215 2.2215 2.2965 2.2965 2.4265 2.4265 2.4835 2.4835 2.6330 2.6330 2.6406 2.6406 2.7437 2.7437 2.7672 2.7672 2.8795 2.8795 2.9131 2.9131 3.0876 3.0876 3.1122 3.1122 3.1400 3.1400 3.1584 3.1584 3.2378 3.2378 3.2452 3.2452 3.4509 3.4509 3.4674 3.4674 5.8683 5.8683 5.8915 5.8915 6.1567 6.1567 6.1887 6.1887 7.0384 7.0384 7.0546 7.0546 7.2782 7.2782 7.2856 7.2856 7.7886 7.7886 7.8022 7.8022 8.0319 8.0319 8.0370 8.0370 8.2875 8.2875 8.2989 8.2989 8.6946 8.6946 8.6967 8.6967 9.0189 9.0189 9.0268 9.0268 9.3538 9.3538 9.3682 9.3682 k = 0.5000 1.4916-0.1187 ( 41818 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.2926 -47.2926 -47.2926 -47.2926 -47.2923 -47.2923 -47.2923 -47.2923 -19.3776 -19.3776 -19.3775 -19.3775 -19.3773 -19.3773 -19.3772 -19.3772 -19.3392 -19.3392 -19.3392 -19.3392 -19.3368 -19.3368 -19.3368 -19.3368 -19.2079 -19.2079 -19.2078 -19.2078 -19.2055 -19.2055 -19.2054 -19.2054 -19.1889 -19.1889 -19.1885 -19.1885 -19.1866 -19.1866 -19.1861 -19.1861 -19.1687 -19.1687 -19.1687 -19.1687 -19.1657 -19.1657 -19.1657 -19.1657 -19.1505 -19.1505 -19.1505 -19.1505 -19.1489 -19.1489 -19.1489 -19.1489 -18.1470 -18.1470 -18.1458 -18.1458 -18.1449 -18.1449 -18.1435 -18.1435 -18.1169 -18.1169 -18.1159 -18.1159 -18.1158 -18.1158 -18.1150 -18.1150 -17.1411 -17.1411 -17.1378 -17.1378 -17.1356 -17.1356 -17.1315 -17.1315 -17.0929 -17.0929 -17.0913 -17.0913 -17.0901 -17.0901 -17.0891 -17.0891 -17.0764 -17.0764 -17.0751 -17.0751 -17.0733 -17.0733 -17.0721 -17.0721 -8.9297 -8.9297 -8.9290 -8.9290 -8.7272 -8.7272 -8.7271 -8.7271 -7.8978 -7.8978 -7.8970 -7.8970 -7.8753 -7.8753 -7.8740 -7.8740 -7.6411 -7.6411 -7.6409 -7.6409 -7.6022 -7.6022 -7.6008 -7.6008 -2.9608 -2.9608 -2.9550 -2.9550 -2.6697 -2.6697 -2.6649 -2.6649 0.3144 0.3144 0.3318 0.3318 0.5141 0.5141 0.5150 0.5150 0.8520 0.8520 0.8595 0.8595 0.9937 0.9937 1.0037 1.0037 1.2462 1.2462 1.2553 1.2553 1.6007 1.6007 1.6678 1.6678 1.9267 1.9267 2.0289 2.0289 2.2306 2.2306 2.3067 2.3067 2.4374 2.4374 2.4850 2.4850 2.6322 2.6322 2.6455 2.6455 2.7318 2.7318 2.7601 2.7601 2.8775 2.8775 2.9040 2.9040 3.0906 3.0906 3.1226 3.1226 3.1421 3.1421 3.1614 3.1614 3.2467 3.2467 3.2496 3.2496 3.4471 3.4471 3.4650 3.4650 5.8800 5.8800 5.9014 5.9014 6.1608 6.1608 6.1911 6.1911 7.0420 7.0420 7.0572 7.0572 7.2616 7.2616 7.2645 7.2645 7.8065 7.8065 7.8268 7.8268 8.0319 8.0319 8.0377 8.0377 8.2752 8.2752 8.2880 8.2880 8.7025 8.7025 8.7076 8.7076 8.9898 8.9898 8.9946 8.9946 9.3650 9.3650 9.3810 9.3810 k = 0.5000 1.4718-0.1663 ( 41830 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.2926 -47.2926 -47.2926 -47.2926 -47.2923 -47.2923 -47.2923 -47.2923 -19.3776 -19.3776 -19.3775 -19.3775 -19.3773 -19.3773 -19.3772 -19.3772 -19.3391 -19.3391 -19.3391 -19.3391 -19.3368 -19.3368 -19.3368 -19.3368 -19.2079 -19.2079 -19.2078 -19.2078 -19.2055 -19.2055 -19.2054 -19.2054 -19.1889 -19.1889 -19.1885 -19.1885 -19.1866 -19.1866 -19.1862 -19.1862 -19.1687 -19.1687 -19.1687 -19.1687 -19.1657 -19.1657 -19.1657 -19.1657 -19.1505 -19.1505 -19.1505 -19.1505 -19.1490 -19.1490 -19.1489 -19.1489 -18.1469 -18.1469 -18.1456 -18.1456 -18.1450 -18.1450 -18.1437 -18.1437 -18.1168 -18.1168 -18.1160 -18.1160 -18.1158 -18.1158 -18.1150 -18.1150 -17.1410 -17.1410 -17.1380 -17.1380 -17.1354 -17.1354 -17.1318 -17.1318 -17.0928 -17.0928 -17.0914 -17.0914 -17.0901 -17.0901 -17.0892 -17.0892 -17.0763 -17.0763 -17.0752 -17.0752 -17.0732 -17.0732 -17.0722 -17.0722 -8.9200 -8.9200 -8.9194 -8.9194 -8.7410 -8.7410 -8.7408 -8.7408 -7.8958 -7.8958 -7.8950 -7.8950 -7.8765 -7.8765 -7.8753 -7.8753 -7.6370 -7.6370 -7.6367 -7.6367 -7.6005 -7.6005 -7.5991 -7.5991 -2.9515 -2.9515 -2.9456 -2.9456 -2.6888 -2.6888 -2.6839 -2.6839 0.3057 0.3057 0.3222 0.3222 0.4875 0.4875 0.4905 0.4905 0.8571 0.8571 0.8624 0.8624 1.0105 1.0105 1.0213 1.0213 1.2652 1.2652 1.2757 1.2757 1.6030 1.6030 1.6756 1.6756 1.9188 1.9188 2.0298 2.0298 2.2370 2.2370 2.3136 2.3136 2.4468 2.4468 2.4843 2.4843 2.6301 2.6301 2.6468 2.6468 2.7193 2.7193 2.7519 2.7519 2.8751 2.8751 2.8922 2.8922 3.0924 3.0924 3.1318 3.1318 3.1449 3.1449 3.1676 3.1676 3.2568 3.2568 3.2607 3.2607 3.4437 3.4437 3.4633 3.4633 5.8928 5.8928 5.9124 5.9124 6.1641 6.1641 6.1926 6.1926 7.0454 7.0454 7.0597 7.0597 7.2433 7.2433 7.2445 7.2445 7.8225 7.8225 7.8500 7.8500 8.0344 8.0344 8.0411 8.0411 8.2667 8.2667 8.2818 8.2818 8.7123 8.7123 8.7227 8.7227 8.9600 8.9600 8.9610 8.9610 9.3764 9.3764 9.3941 9.3941 k = 0.5000 1.4520-0.2138 ( 41844 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.2926 -47.2926 -47.2926 -47.2926 -47.2923 -47.2923 -47.2923 -47.2923 -19.3776 -19.3776 -19.3775 -19.3775 -19.3773 -19.3773 -19.3772 -19.3772 -19.3391 -19.3391 -19.3391 -19.3391 -19.3369 -19.3369 -19.3369 -19.3369 -19.2080 -19.2080 -19.2078 -19.2078 -19.2055 -19.2055 -19.2054 -19.2054 -19.1889 -19.1889 -19.1885 -19.1885 -19.1865 -19.1865 -19.1862 -19.1862 -19.1687 -19.1687 -19.1687 -19.1687 -19.1657 -19.1657 -19.1657 -19.1657 -19.1505 -19.1505 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2.8787 3.0935 3.0935 3.1375 3.1375 3.1484 3.1484 3.1774 3.1774 3.2665 3.2665 3.2775 3.2775 3.4406 3.4406 3.4619 3.4619 5.9061 5.9061 5.9240 5.9240 6.1665 6.1665 6.1932 6.1932 7.0488 7.0488 7.0623 7.0623 7.2222 7.2222 7.2269 7.2269 7.8359 7.8359 7.8703 7.8703 8.0388 8.0388 8.0476 8.0476 8.2636 8.2636 8.2817 8.2817 8.7193 8.7193 8.7388 8.7388 8.9265 8.9265 8.9372 8.9372 9.3861 9.3861 9.4057 9.4057 k = 0.5000 1.4322-0.2614 ( 41858 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.2926 -47.2926 -47.2926 -47.2926 -47.2923 -47.2923 -47.2923 -47.2923 -19.3776 -19.3776 -19.3775 -19.3775 -19.3773 -19.3773 -19.3772 -19.3772 -19.3391 -19.3391 -19.3391 -19.3391 -19.3369 -19.3369 -19.3369 -19.3369 -19.2080 -19.2080 -19.2079 -19.2079 -19.2055 -19.2055 -19.2054 -19.2054 -19.1889 -19.1889 -19.1886 -19.1886 -19.1865 -19.1865 -19.1862 -19.1862 -19.1687 -19.1687 -19.1687 -19.1687 -19.1657 -19.1657 -19.1657 -19.1657 -19.1504 -19.1504 -19.1504 -19.1504 -19.1490 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3.1401 3.1527 3.1527 3.1889 3.1889 3.2779 3.2779 3.2953 3.2953 3.4377 3.4377 3.4608 3.4608 5.9197 5.9197 5.9360 5.9360 6.1680 6.1680 6.1928 6.1928 7.0524 7.0524 7.0653 7.0653 7.2014 7.2014 7.2092 7.2092 7.8463 7.8463 7.8862 7.8862 8.0440 8.0440 8.0567 8.0567 8.2673 8.2673 8.2894 8.2894 8.7163 8.7163 8.7482 8.7482 8.9016 8.9016 8.9257 8.9257 9.3920 9.3920 9.4133 9.4133 k = 0.5000 1.4124-0.3089 ( 41836 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.2926 -47.2926 -47.2926 -47.2926 -47.2923 -47.2923 -47.2923 -47.2923 -19.3776 -19.3776 -19.3774 -19.3774 -19.3774 -19.3774 -19.3772 -19.3772 -19.3391 -19.3391 -19.3391 -19.3391 -19.3369 -19.3369 -19.3369 -19.3369 -19.2079 -19.2079 -19.2079 -19.2079 -19.2055 -19.2055 -19.2054 -19.2054 -19.1888 -19.1888 -19.1886 -19.1886 -19.1865 -19.1865 -19.1862 -19.1862 -19.1687 -19.1687 -19.1687 -19.1687 -19.1657 -19.1657 -19.1657 -19.1657 -19.1504 -19.1504 -19.1504 -19.1504 -19.1491 -19.1491 -19.1491 -19.1491 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3.2003 3.2902 3.2902 3.3125 3.3125 3.4347 3.4347 3.4599 3.4599 5.9329 5.9329 5.9479 5.9479 6.1686 6.1686 6.1916 6.1916 7.0567 7.0567 7.0691 7.0691 7.1813 7.1813 7.1916 7.1916 7.8538 7.8538 7.8977 7.8977 8.0486 8.0486 8.0665 8.0665 8.2794 8.2794 8.3058 8.3058 8.6975 8.6975 8.7390 8.7390 8.8971 8.8971 8.9323 8.9323 9.3911 9.3911 9.4132 9.4132 k = 0.5000 1.3926-0.3565 ( 41844 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.2926 -47.2926 -47.2926 -47.2926 -47.2923 -47.2923 -47.2923 -47.2923 -19.3776 -19.3776 -19.3774 -19.3774 -19.3774 -19.3774 -19.3773 -19.3773 -19.3391 -19.3391 -19.3391 -19.3391 -19.3369 -19.3369 -19.3369 -19.3369 -19.2079 -19.2079 -19.2079 -19.2079 -19.2055 -19.2055 -19.2054 -19.2054 -19.1888 -19.1888 -19.1886 -19.1886 -19.1865 -19.1865 -19.1863 -19.1863 -19.1687 -19.1687 -19.1687 -19.1687 -19.1657 -19.1657 -19.1657 -19.1657 -19.1504 -19.1504 -19.1504 -19.1504 -19.1491 -19.1491 -19.1491 -19.1491 -18.1464 -18.1464 -18.1455 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3.3280 3.3280 3.4316 3.4316 3.4591 3.4591 5.9450 5.9450 5.9590 5.9590 6.1684 6.1684 6.1899 6.1899 7.0619 7.0619 7.0739 7.0739 7.1621 7.1621 7.1745 7.1745 7.8590 7.8590 7.9053 7.9053 8.0517 8.0517 8.0750 8.0750 8.3008 8.3008 8.3306 8.3306 8.6646 8.6646 8.7089 8.7089 8.9149 8.9149 8.9550 8.9550 9.3809 9.3809 9.4019 9.4019 k = 0.5000 1.3728-0.4040 ( 41852 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.2926 -47.2926 -47.2926 -47.2926 -47.2923 -47.2923 -47.2923 -47.2923 -19.3775 -19.3775 -19.3774 -19.3774 -19.3774 -19.3774 -19.3773 -19.3773 -19.3391 -19.3391 -19.3391 -19.3391 -19.3369 -19.3369 -19.3369 -19.3369 -19.2080 -19.2080 -19.2079 -19.2079 -19.2055 -19.2055 -19.2054 -19.2054 -19.1888 -19.1888 -19.1887 -19.1887 -19.1864 -19.1864 -19.1863 -19.1863 -19.1687 -19.1687 -19.1687 -19.1687 -19.1657 -19.1657 -19.1657 -19.1657 -19.1504 -19.1504 -19.1504 -19.1504 -19.1491 -19.1491 -19.1491 -19.1491 -18.1463 -18.1463 -18.1456 -18.1456 -18.1450 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3.4286 3.4583 3.4583 5.9555 5.9555 5.9686 5.9686 6.1678 6.1678 6.1878 6.1878 7.0685 7.0685 7.0799 7.0799 7.1440 7.1440 7.1584 7.1584 7.8624 7.8624 7.9101 7.9101 8.0534 8.0534 8.0810 8.0810 8.3306 8.3306 8.3623 8.3623 8.6234 8.6234 8.6680 8.6680 8.9441 8.9441 8.9873 8.9873 9.3617 9.3617 9.3789 9.3789 k = 0.5000 1.3530-0.4516 ( 41844 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.2926 -47.2926 -47.2926 -47.2926 -47.2923 -47.2923 -47.2923 -47.2923 -19.3775 -19.3775 -19.3774 -19.3774 -19.3774 -19.3774 -19.3773 -19.3773 -19.3391 -19.3391 -19.3391 -19.3391 -19.3369 -19.3369 -19.3369 -19.3369 -19.2080 -19.2080 -19.2079 -19.2079 -19.2055 -19.2055 -19.2054 -19.2054 -19.1888 -19.1888 -19.1887 -19.1887 -19.1864 -19.1864 -19.1863 -19.1863 -19.1687 -19.1687 -19.1687 -19.1687 -19.1657 -19.1657 -19.1657 -19.1657 -19.1504 -19.1504 -19.1504 -19.1504 -19.1491 -19.1491 -19.1491 -19.1491 -18.1462 -18.1462 -18.1457 -18.1457 -18.1449 -18.1449 -18.1444 -18.1444 -18.1165 -18.1165 -18.1163 -18.1163 -18.1155 -18.1155 -18.1153 -18.1153 -17.1399 -17.1399 -17.1392 -17.1392 -17.1340 -17.1340 -17.1331 -17.1331 -17.0923 -17.0923 -17.0919 -17.0919 -17.0897 -17.0897 -17.0895 -17.0895 -17.0760 -17.0760 -17.0757 -17.0757 -17.0728 -17.0728 -17.0726 -17.0726 -8.8645 -8.8645 -8.8641 -8.8641 -8.8125 -8.8125 -8.8122 -8.8122 -7.8905 -7.8905 -7.8895 -7.8895 -7.8805 -7.8805 -7.8795 -7.8795 -7.6150 -7.6150 -7.6142 -7.6142 -7.5970 -7.5970 -7.5961 -7.5961 -2.8832 -2.8832 -2.8776 -2.8776 -2.7963 -2.7963 -2.7908 -2.7908 0.2724 0.2724 0.2829 0.2829 0.3821 0.3821 0.3949 0.3949 0.8751 0.8751 0.8780 0.8780 1.0721 1.0721 1.0849 1.0849 1.3963 1.3963 1.4176 1.4176 1.5637 1.5637 1.6242 1.6242 1.9837 1.9837 2.0998 2.0998 2.1856 2.1856 2.2431 2.2431 2.5030 2.5030 2.5129 2.5129 2.5683 2.5683 2.5686 2.5686 2.7201 2.7201 2.7711 2.7711 2.8046 2.8046 2.8311 2.8311 3.0976 3.0976 3.1415 3.1415 3.1709 3.1709 3.2244 3.2244 3.3227 3.3227 3.3506 3.3506 3.4259 3.4259 3.4575 3.4575 5.9636 5.9636 5.9762 5.9762 6.1669 6.1669 6.1858 6.1858 7.0765 7.0765 7.0868 7.0868 7.1275 7.1275 7.1438 7.1438 7.8646 7.8646 7.9129 7.9129 8.0539 8.0539 8.0846 8.0846 8.3662 8.3662 8.3981 8.3981 8.5791 8.5791 8.6242 8.6242 8.9751 8.9751 9.0221 9.0221 9.3376 9.3376 9.3489 9.3489 k = 0.5000 1.3332-0.4992 ( 41852 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.2926 -47.2926 -47.2926 -47.2926 -47.2923 -47.2923 -47.2923 -47.2923 -19.3775 -19.3775 -19.3775 -19.3775 -19.3774 -19.3774 -19.3773 -19.3773 -19.3391 -19.3391 -19.3391 -19.3391 -19.3369 -19.3369 -19.3369 -19.3369 -19.2080 -19.2080 -19.2079 -19.2079 -19.2054 -19.2054 -19.2054 -19.2054 -19.1888 -19.1888 -19.1887 -19.1887 -19.1864 -19.1864 -19.1863 -19.1863 -19.1687 -19.1687 -19.1687 -19.1687 -19.1657 -19.1657 -19.1657 -19.1657 -19.1504 -19.1504 -19.1504 -19.1504 -19.1491 -19.1491 -19.1491 -19.1491 -18.1461 -18.1461 -18.1458 -18.1458 -18.1448 -18.1448 -18.1445 -18.1445 -18.1165 -18.1165 -18.1164 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6.1662 6.1845 6.1845 7.0861 7.0861 7.0939 7.0939 7.1127 7.1127 7.1320 7.1320 7.8657 7.8657 7.9145 7.9145 8.0540 8.0540 8.0863 8.0863 8.4023 8.4023 8.4323 8.4323 8.5378 8.5378 8.5849 8.5849 8.9996 8.9996 9.0510 9.0510 9.3166 9.3166 9.3216 9.3216 k = 0.5000 1.3134-0.5467 ( 41860 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.2926 -47.2926 -47.2926 -47.2926 -47.2923 -47.2923 -47.2923 -47.2923 -19.3775 -19.3775 -19.3775 -19.3775 -19.3774 -19.3774 -19.3773 -19.3773 -19.3391 -19.3391 -19.3391 -19.3391 -19.3369 -19.3369 -19.3369 -19.3369 -19.2080 -19.2080 -19.2079 -19.2079 -19.2054 -19.2054 -19.2054 -19.2054 -19.1888 -19.1888 -19.1887 -19.1887 -19.1864 -19.1864 -19.1863 -19.1863 -19.1687 -19.1687 -19.1687 -19.1687 -19.1657 -19.1657 -19.1657 -19.1657 -19.1504 -19.1504 -19.1504 -19.1504 -19.1491 -19.1491 -19.1491 -19.1491 -18.1460 -18.1460 -18.1459 -18.1459 -18.1447 -18.1447 -18.1446 -18.1446 -18.1164 -18.1164 -18.1164 -18.1164 -18.1154 -18.1154 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7.0941 7.0976 7.0976 7.1029 7.1029 7.1267 7.1267 7.8661 7.8661 7.9149 7.9149 8.0539 8.0539 8.0869 8.0869 8.4219 8.4219 8.4493 8.4493 8.5165 8.5165 8.5662 8.5662 9.0091 9.0091 9.0629 9.0629 9.3080 9.3080 9.3101 9.3101 k = 0.5000 1.3134-0.5467 ( 41860 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.2926 -47.2926 -47.2926 -47.2926 -47.2923 -47.2923 -47.2923 -47.2923 -19.3775 -19.3775 -19.3775 -19.3775 -19.3774 -19.3774 -19.3773 -19.3773 -19.3391 -19.3391 -19.3391 -19.3391 -19.3369 -19.3369 -19.3369 -19.3369 -19.2080 -19.2080 -19.2079 -19.2079 -19.2054 -19.2054 -19.2054 -19.2054 -19.1888 -19.1888 -19.1887 -19.1887 -19.1864 -19.1864 -19.1863 -19.1863 -19.1687 -19.1687 -19.1687 -19.1687 -19.1657 -19.1657 -19.1657 -19.1657 -19.1504 -19.1504 -19.1504 -19.1504 -19.1491 -19.1491 -19.1491 -19.1491 -18.1460 -18.1460 -18.1459 -18.1459 -18.1447 -18.1447 -18.1446 -18.1446 -18.1164 -18.1164 -18.1164 -18.1164 -18.1154 -18.1154 -18.1154 -18.1154 -17.1396 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7.1029 7.1029 7.1267 7.1267 7.8661 7.8661 7.9149 7.9149 8.0539 8.0539 8.0869 8.0869 8.4219 8.4219 8.4493 8.4493 8.5165 8.5165 8.5662 8.5662 9.0091 9.0091 9.0629 9.0629 9.3080 9.3080 9.3101 9.3101 k = 0.4500 1.3134-0.5467 ( 41840 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.2926 -47.2926 -47.2926 -47.2926 -47.2923 -47.2923 -47.2923 -47.2923 -19.3775 -19.3775 -19.3775 -19.3775 -19.3774 -19.3774 -19.3773 -19.3773 -19.3391 -19.3391 -19.3391 -19.3391 -19.3369 -19.3369 -19.3369 -19.3369 -19.2080 -19.2080 -19.2079 -19.2079 -19.2054 -19.2054 -19.2054 -19.2054 -19.1887 -19.1887 -19.1887 -19.1887 -19.1863 -19.1863 -19.1863 -19.1863 -19.1687 -19.1687 -19.1687 -19.1687 -19.1657 -19.1657 -19.1657 -19.1657 -19.1504 -19.1504 -19.1504 -19.1504 -19.1491 -19.1491 -19.1491 -19.1491 -18.1460 -18.1460 -18.1459 -18.1459 -18.1447 -18.1447 -18.1446 -18.1446 -18.1164 -18.1164 -18.1164 -18.1164 -18.1154 -18.1154 -18.1154 -18.1154 -17.1396 -17.1396 -17.1395 -17.1395 -17.1335 -17.1335 -17.1335 -17.1335 -17.0921 -17.0921 -17.0921 -17.0921 -17.0896 -17.0896 -17.0896 -17.0896 -17.0758 -17.0758 -17.0758 -17.0758 -17.0727 -17.0727 -17.0727 -17.0727 -8.8539 -8.8539 -8.8535 -8.8535 -8.8243 -8.8243 -8.8238 -8.8238 -7.8911 -7.8911 -7.8902 -7.8902 -7.8798 -7.8798 -7.8789 -7.8789 -7.6127 -7.6127 -7.6118 -7.6118 -7.5974 -7.5974 -7.5966 -7.5966 -2.8695 -2.8695 -2.8642 -2.8642 -2.8128 -2.8128 -2.8072 -2.8072 0.2709 0.2709 0.2807 0.2807 0.3736 0.3736 0.3873 0.3873 0.8761 0.8761 0.8796 0.8796 1.0767 1.0767 1.0893 1.0893 1.4152 1.4152 1.4378 1.4378 1.5517 1.5517 1.6066 1.6066 2.0051 2.0051 2.1221 2.1221 2.1665 2.1665 2.2165 2.2165 2.5175 2.5175 2.5366 2.5366 2.5391 2.5391 2.5510 2.5510 2.7304 2.7304 2.7764 2.7764 2.8026 2.8026 2.8174 2.8174 3.0977 3.0977 3.1389 3.1389 3.1762 3.1762 3.2294 3.2294 3.3303 3.3303 3.3579 3.3579 3.4240 3.4240 3.4571 3.4571 5.9703 5.9703 5.9822 5.9822 6.1654 6.1654 6.1832 6.1832 7.0795 7.0795 7.0950 7.0950 7.1119 7.1119 7.1336 7.1336 7.8651 7.8651 7.9110 7.9110 8.0582 8.0582 8.0881 8.0881 8.4217 8.4217 8.4463 8.4463 8.5236 8.5236 8.5709 8.5709 9.0099 9.0099 9.0630 9.0630 9.3090 9.3090 9.3110 9.3110 k = 0.4000 1.3134-0.5467 ( 41840 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.2926 -47.2926 -47.2926 -47.2926 -47.2923 -47.2923 -47.2923 -47.2923 -19.3775 -19.3775 -19.3775 -19.3775 -19.3774 -19.3774 -19.3773 -19.3773 -19.3391 -19.3391 -19.3391 -19.3391 -19.3369 -19.3369 -19.3369 -19.3369 -19.2079 -19.2079 -19.2079 -19.2079 -19.2054 -19.2054 -19.2054 -19.2054 -19.1887 -19.1887 -19.1887 -19.1887 -19.1863 -19.1863 -19.1863 -19.1863 -19.1687 -19.1687 -19.1687 -19.1687 -19.1657 -19.1657 -19.1657 -19.1657 -19.1504 -19.1504 -19.1504 -19.1504 -19.1491 -19.1491 -19.1491 -19.1491 -18.1460 -18.1460 -18.1459 -18.1459 -18.1447 -18.1447 -18.1446 -18.1446 -18.1164 -18.1164 -18.1164 -18.1164 -18.1154 -18.1154 -18.1154 -18.1154 -17.1396 -17.1396 -17.1395 -17.1395 -17.1335 -17.1335 -17.1335 -17.1335 -17.0921 -17.0921 -17.0921 -17.0921 -17.0896 -17.0896 -17.0896 -17.0896 -17.0758 -17.0758 -17.0758 -17.0758 -17.0727 -17.0727 -17.0727 -17.0727 -8.8542 -8.8542 -8.8538 -8.8538 -8.8240 -8.8240 -8.8236 -8.8236 -7.8930 -7.8930 -7.8923 -7.8923 -7.8776 -7.8776 -7.8771 -7.8771 -7.6127 -7.6127 -7.6118 -7.6118 -7.5974 -7.5974 -7.5966 -7.5966 -2.8708 -2.8708 -2.8659 -2.8659 -2.8110 -2.8110 -2.8059 -2.8059 0.2726 0.2726 0.2824 0.2824 0.3720 0.3720 0.3855 0.3855 0.8755 0.8755 0.8791 0.8791 1.0787 1.0787 1.0906 1.0906 1.4137 1.4137 1.4344 1.4344 1.5541 1.5541 1.6060 1.6060 2.0065 2.0065 2.1192 2.1192 2.1667 2.1667 2.2147 2.2147 2.5119 2.5119 2.5328 2.5328 2.5408 2.5408 2.5552 2.5552 2.7272 2.7272 2.7667 2.7667 2.8182 2.8182 2.8274 2.8274 3.0959 3.0959 3.1329 3.1329 3.1812 3.1812 3.2301 3.2301 3.3290 3.3290 3.3556 3.3556 3.4262 3.4262 3.4577 3.4577 5.9694 5.9694 5.9808 5.9808 6.1639 6.1639 6.1809 6.1809 7.0633 7.0633 7.0805 7.0805 7.1271 7.1271 7.1452 7.1452 7.8622 7.8622 7.9009 7.9009 8.0689 8.0689 8.0915 8.0915 8.4215 8.4215 8.4405 8.4405 8.5416 8.5416 8.5841 8.5841 9.0122 9.0122 9.0637 9.0637 9.3118 9.3118 9.3137 9.3137 k = 0.3500 1.3134-0.5467 ( 41848 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.2926 -47.2926 -47.2926 -47.2926 -47.2923 -47.2923 -47.2923 -47.2923 -19.3775 -19.3775 -19.3775 -19.3775 -19.3774 -19.3774 -19.3773 -19.3773 -19.3391 -19.3391 -19.3391 -19.3391 -19.3369 -19.3369 -19.3369 -19.3369 -19.2079 -19.2079 -19.2079 -19.2079 -19.2054 -19.2054 -19.2054 -19.2054 -19.1887 -19.1887 -19.1887 -19.1887 -19.1864 -19.1864 -19.1864 -19.1864 -19.1687 -19.1687 -19.1687 -19.1687 -19.1657 -19.1657 -19.1657 -19.1657 -19.1504 -19.1504 -19.1504 -19.1504 -19.1491 -19.1491 -19.1491 -19.1491 -18.1460 -18.1460 -18.1459 -18.1459 -18.1447 -18.1447 -18.1446 -18.1446 -18.1164 -18.1164 -18.1164 -18.1164 -18.1154 -18.1154 -18.1154 -18.1154 -17.1396 -17.1396 -17.1395 -17.1395 -17.1336 -17.1336 -17.1335 -17.1335 -17.0921 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8.0961 8.4227 8.4227 8.4365 8.4365 8.5654 8.5654 8.6036 8.6036 9.0167 9.0167 9.0653 9.0653 9.3160 9.3160 9.3176 9.3176 k = 0.3000 1.3134-0.5467 ( 41840 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.2926 -47.2926 -47.2926 -47.2926 -47.2923 -47.2923 -47.2923 -47.2923 -19.3775 -19.3775 -19.3775 -19.3775 -19.3774 -19.3774 -19.3773 -19.3773 -19.3391 -19.3391 -19.3391 -19.3391 -19.3369 -19.3369 -19.3369 -19.3369 -19.2079 -19.2079 -19.2079 -19.2079 -19.2054 -19.2054 -19.2054 -19.2054 -19.1887 -19.1887 -19.1887 -19.1887 -19.1863 -19.1863 -19.1863 -19.1863 -19.1687 -19.1687 -19.1687 -19.1687 -19.1657 -19.1657 -19.1657 -19.1657 -19.1504 -19.1504 -19.1504 -19.1504 -19.1491 -19.1491 -19.1491 -19.1491 -18.1460 -18.1460 -18.1459 -18.1459 -18.1447 -18.1447 -18.1446 -18.1446 -18.1164 -18.1164 -18.1164 -18.1164 -18.1154 -18.1154 -18.1154 -18.1154 -17.1396 -17.1396 -17.1395 -17.1395 -17.1335 -17.1335 -17.1335 -17.1335 -17.0921 -17.0921 -17.0921 -17.0921 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8.4359 8.5922 8.5922 8.6267 8.6267 9.0240 9.0240 9.0686 9.0686 9.3210 9.3210 9.3221 9.3221 k = 0.2500 1.3134-0.5467 ( 41814 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.2926 -47.2926 -47.2926 -47.2926 -47.2923 -47.2923 -47.2923 -47.2923 -19.3775 -19.3775 -19.3775 -19.3775 -19.3773 -19.3773 -19.3773 -19.3773 -19.3391 -19.3391 -19.3391 -19.3391 -19.3369 -19.3369 -19.3369 -19.3369 -19.2079 -19.2079 -19.2079 -19.2079 -19.2054 -19.2054 -19.2054 -19.2054 -19.1887 -19.1887 -19.1887 -19.1887 -19.1863 -19.1863 -19.1863 -19.1863 -19.1687 -19.1687 -19.1687 -19.1687 -19.1657 -19.1657 -19.1657 -19.1657 -19.1504 -19.1504 -19.1504 -19.1504 -19.1491 -19.1491 -19.1491 -19.1491 -18.1459 -18.1459 -18.1459 -18.1459 -18.1446 -18.1446 -18.1446 -18.1446 -18.1164 -18.1164 -18.1164 -18.1164 -18.1154 -18.1154 -18.1154 -18.1154 -17.1395 -17.1395 -17.1395 -17.1395 -17.1335 -17.1335 -17.1335 -17.1335 -17.0921 -17.0921 -17.0921 -17.0921 -17.0896 -17.0896 -17.0896 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8.6505 8.6505 9.0349 9.0349 9.0742 9.0742 9.3259 9.3259 9.3265 9.3265 k = 0.2000 1.3134-0.5467 ( 41816 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.2926 -47.2926 -47.2926 -47.2926 -47.2923 -47.2923 -47.2923 -47.2923 -19.3775 -19.3775 -19.3775 -19.3775 -19.3773 -19.3773 -19.3773 -19.3773 -19.3391 -19.3391 -19.3391 -19.3391 -19.3369 -19.3369 -19.3369 -19.3369 -19.2079 -19.2079 -19.2079 -19.2079 -19.2054 -19.2054 -19.2054 -19.2054 -19.1887 -19.1887 -19.1887 -19.1887 -19.1863 -19.1863 -19.1863 -19.1863 -19.1687 -19.1687 -19.1687 -19.1687 -19.1657 -19.1657 -19.1657 -19.1657 -19.1504 -19.1504 -19.1504 -19.1504 -19.1491 -19.1491 -19.1491 -19.1491 -18.1459 -18.1459 -18.1459 -18.1459 -18.1446 -18.1446 -18.1446 -18.1446 -18.1164 -18.1164 -18.1164 -18.1164 -18.1154 -18.1154 -18.1154 -18.1154 -17.1395 -17.1395 -17.1395 -17.1395 -17.1335 -17.1335 -17.1335 -17.1335 -17.0921 -17.0921 -17.0921 -17.0921 -17.0896 -17.0896 -17.0896 -17.0896 -17.0758 -17.0758 -17.0758 -17.0758 -17.0727 -17.0727 -17.0727 -17.0727 -8.8559 -8.8559 -8.8557 -8.8557 -8.8218 -8.8218 -8.8216 -8.8216 -7.9016 -7.9016 -7.9014 -7.9014 -7.8687 -7.8687 -7.8686 -7.8686 -7.6127 -7.6127 -7.6122 -7.6122 -7.5971 -7.5971 -7.5966 -7.5966 -2.8792 -2.8792 -2.8769 -2.8769 -2.7998 -2.7998 -2.7974 -2.7974 0.2890 0.2890 0.2981 0.2981 0.3572 0.3572 0.3687 0.3687 0.8720 0.8720 0.8748 0.8748 1.0949 1.0949 1.1011 1.1011 1.4013 1.4013 1.4100 1.4100 1.5712 1.5712 1.5997 1.5997 2.0222 2.0222 2.0920 2.0920 2.1697 2.1697 2.1988 2.1988 2.4945 2.4945 2.5110 2.5110 2.5489 2.5489 2.5560 2.5560 2.7271 2.7271 2.7493 2.7493 2.8823 2.8823 2.8860 2.8860 3.0827 3.0827 3.1014 3.1014 3.2043 3.2043 3.2312 3.2312 3.3210 3.3210 3.3385 3.3385 3.4426 3.4426 3.4613 3.4613 5.9618 5.9618 5.9684 5.9684 6.1537 6.1537 6.1635 6.1635 7.0089 7.0089 7.0209 7.0209 7.1746 7.1746 7.1825 7.1825 7.8444 7.8444 7.8541 7.8541 8.1078 8.1078 8.1099 8.1099 8.4389 8.4389 8.4440 8.4440 8.6465 8.6465 8.6727 8.6727 9.0498 9.0498 9.0826 9.0826 9.3296 9.3296 9.3296 9.3296 k = 0.1500 1.3134-0.5467 ( 41842 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.2926 -47.2926 -47.2926 -47.2926 -47.2923 -47.2923 -47.2923 -47.2923 -19.3775 -19.3775 -19.3775 -19.3775 -19.3774 -19.3774 -19.3773 -19.3773 -19.3391 -19.3391 -19.3391 -19.3391 -19.3369 -19.3369 -19.3369 -19.3369 -19.2079 -19.2079 -19.2079 -19.2079 -19.2054 -19.2054 -19.2054 -19.2054 -19.1887 -19.1887 -19.1887 -19.1887 -19.1864 -19.1864 -19.1863 -19.1863 -19.1687 -19.1687 -19.1687 -19.1687 -19.1657 -19.1657 -19.1657 -19.1657 -19.1504 -19.1504 -19.1504 -19.1504 -19.1491 -19.1491 -19.1491 -19.1491 -18.1459 -18.1459 -18.1459 -18.1459 -18.1446 -18.1446 -18.1446 -18.1446 -18.1164 -18.1164 -18.1164 -18.1164 -18.1154 -18.1154 -18.1154 -18.1154 -17.1396 -17.1396 -17.1395 -17.1395 -17.1335 -17.1335 -17.1335 -17.1335 -17.0921 -17.0921 -17.0921 -17.0921 -17.0896 -17.0896 -17.0896 -17.0896 -17.0758 -17.0758 -17.0758 -17.0758 -17.0727 -17.0727 -17.0727 -17.0727 -8.8563 -8.8563 -8.8562 -8.8562 -8.8213 -8.8213 -8.8211 -8.8211 -7.9031 -7.9031 -7.9030 -7.9030 -7.8672 -7.8672 -7.8671 -7.8671 -7.6127 -7.6127 -7.6123 -7.6123 -7.5970 -7.5970 -7.5966 -7.5966 -2.8809 -2.8809 -2.8793 -2.8793 -2.7973 -2.7973 -2.7956 -2.7956 0.2946 0.2946 0.3031 0.3031 0.3526 0.3526 0.3628 0.3628 0.8714 0.8714 0.8737 0.8737 1.0990 1.0990 1.1036 1.1036 1.3983 1.3983 1.4043 1.4043 1.5758 1.5758 1.5973 1.5973 2.0286 2.0286 2.0827 2.0827 2.1714 2.1714 2.1938 2.1938 2.4930 2.4930 2.5064 2.5064 2.5493 2.5493 2.5542 2.5542 2.7307 2.7307 2.7478 2.7478 2.8952 2.8952 2.8982 2.8982 3.0800 3.0800 3.0943 3.0943 3.2091 3.2091 3.2298 3.2298 3.3201 3.3201 3.3339 3.3339 3.4471 3.4471 3.4615 3.4615 5.9598 5.9598 5.9648 5.9648 6.1517 6.1517 6.1592 6.1592 7.0003 7.0003 7.0096 7.0096 7.1823 7.1823 7.1879 7.1879 7.8409 7.8409 7.8466 7.8466 8.1100 8.1100 8.1134 8.1134 8.4464 8.4464 8.4501 8.4501 8.6702 8.6702 8.6908 8.6908 9.0682 9.0682 9.0934 9.0934 9.3307 9.3307 9.3313 9.3313 k = 0.1000 1.3134-0.5467 ( 41844 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.2926 -47.2926 -47.2926 -47.2926 -47.2923 -47.2923 -47.2923 -47.2923 -19.3775 -19.3775 -19.3775 -19.3775 -19.3774 -19.3774 -19.3773 -19.3773 -19.3391 -19.3391 -19.3391 -19.3391 -19.3369 -19.3369 -19.3369 -19.3369 -19.2079 -19.2079 -19.2079 -19.2079 -19.2054 -19.2054 -19.2054 -19.2054 -19.1887 -19.1887 -19.1887 -19.1887 -19.1864 -19.1864 -19.1863 -19.1863 -19.1687 -19.1687 -19.1687 -19.1687 -19.1657 -19.1657 -19.1657 -19.1657 -19.1504 -19.1504 -19.1504 -19.1504 -19.1491 -19.1491 -19.1491 -19.1491 -18.1459 -18.1459 -18.1459 -18.1459 -18.1446 -18.1446 -18.1446 -18.1446 -18.1164 -18.1164 -18.1164 -18.1164 -18.1154 -18.1154 -18.1154 -18.1154 -17.1396 -17.1396 -17.1395 -17.1395 -17.1335 -17.1335 -17.1335 -17.1335 -17.0921 -17.0921 -17.0921 -17.0921 -17.0896 -17.0896 -17.0896 -17.0896 -17.0758 -17.0758 -17.0758 -17.0758 -17.0727 -17.0727 -17.0727 -17.0727 -8.8567 -8.8567 -8.8566 -8.8566 -8.8209 -8.8209 -8.8208 -8.8208 -7.9042 -7.9042 -7.9041 -7.9041 -7.8660 -7.8660 -7.8660 -7.8660 -7.6126 -7.6126 -7.6124 -7.6124 -7.5969 -7.5969 -7.5967 -7.5967 -2.8822 -2.8822 -2.8811 -2.8811 -2.7954 -2.7954 -2.7943 -2.7943 0.3003 0.3003 0.3073 0.3073 0.3487 0.3487 0.3569 0.3569 0.8710 0.8710 0.8727 0.8727 1.1024 1.1024 1.1054 1.1054 1.3960 1.3960 1.3997 1.3997 1.5802 1.5802 1.5945 1.5945 2.0361 2.0361 2.0729 2.0729 2.1737 2.1737 2.1889 2.1889 2.4928 2.4928 2.5022 2.5022 2.5495 2.5495 2.5526 2.5526 2.7346 2.7346 2.7462 2.7462 2.9053 2.9053 2.9075 2.9075 3.0785 3.0785 3.0882 3.0882 3.2135 3.2135 3.2276 3.2276 3.3201 3.3201 3.3297 3.3297 3.4512 3.4512 3.4609 3.4609 5.9584 5.9584 5.9617 5.9617 6.1506 6.1506 6.1556 6.1556 6.9943 6.9943 7.0007 7.0007 7.1880 7.1880 7.1917 7.1917 7.8382 7.8382 7.8414 7.8414 8.1117 8.1117 8.1147 8.1147 8.4530 8.4530 8.4556 8.4556 8.6892 8.6892 8.7035 8.7035 9.0878 9.0878 9.1047 9.1047 9.3295 9.3295 9.3304 9.3304 k = 0.0500 1.3134-0.5467 ( 41848 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.2926 -47.2926 -47.2926 -47.2926 -47.2923 -47.2923 -47.2923 -47.2923 -19.3775 -19.3775 -19.3775 -19.3775 -19.3774 -19.3774 -19.3774 -19.3774 -19.3391 -19.3391 -19.3391 -19.3391 -19.3369 -19.3369 -19.3369 -19.3369 -19.2079 -19.2079 -19.2079 -19.2079 -19.2054 -19.2054 -19.2054 -19.2054 -19.1887 -19.1887 -19.1887 -19.1887 -19.1863 -19.1863 -19.1863 -19.1863 -19.1687 -19.1687 -19.1687 -19.1687 -19.1657 -19.1657 -19.1657 -19.1657 -19.1504 -19.1504 -19.1504 -19.1504 -19.1491 -19.1491 -19.1491 -19.1491 -18.1459 -18.1459 -18.1459 -18.1459 -18.1446 -18.1446 -18.1446 -18.1446 -18.1164 -18.1164 -18.1164 -18.1164 -18.1154 -18.1154 -18.1154 -18.1154 -17.1396 -17.1396 -17.1396 -17.1396 -17.1335 -17.1335 -17.1335 -17.1335 -17.0921 -17.0921 -17.0921 -17.0921 -17.0896 -17.0896 -17.0896 -17.0896 -17.0758 -17.0758 -17.0758 -17.0758 -17.0727 -17.0727 -17.0727 -17.0727 -8.8568 -8.8568 -8.8568 -8.8568 -8.8206 -8.8206 -8.8206 -8.8206 -7.9049 -7.9049 -7.9049 -7.9049 -7.8653 -7.8653 -7.8653 -7.8653 -7.6126 -7.6126 -7.6124 -7.6124 -7.5968 -7.5968 -7.5967 -7.5967 -2.8829 -2.8829 -2.8824 -2.8824 -2.7942 -2.7942 -2.7936 -2.7936 0.3054 0.3054 0.3096 0.3096 0.3467 0.3467 0.3516 0.3516 0.8710 0.8710 0.8719 0.8719 1.1049 1.1049 1.1063 1.1063 1.3947 1.3947 1.3965 1.3965 1.5842 1.5842 1.5914 1.5914 2.0444 2.0444 2.0630 2.0630 2.1766 2.1766 2.1843 2.1843 2.4937 2.4937 2.4985 2.4985 2.5499 2.5499 2.5513 2.5513 2.7383 2.7383 2.7442 2.7442 2.9119 2.9119 2.9131 2.9131 3.0784 3.0784 3.0833 3.0833 3.2176 3.2176 3.2248 3.2248 3.3212 3.3212 3.3261 3.3261 3.4547 3.4547 3.4596 3.4596 5.9577 5.9577 5.9593 5.9593 6.1503 6.1503 6.1528 6.1528 6.9913 6.9913 6.9946 6.9946 7.1918 7.1918 7.1936 7.1936 7.8368 7.8368 7.8381 7.8381 8.1130 8.1130 8.1148 8.1148 8.4577 8.4577 8.4590 8.4590 8.7025 8.7025 8.7098 8.7098 9.1045 9.1045 9.1129 9.1129 9.3272 9.3272 9.3279 9.3279 k = 0.0000 1.3134-0.5467 ( 41842 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.2926 -47.2926 -47.2926 -47.2926 -47.2923 -47.2923 -47.2923 -47.2923 -19.3775 -19.3775 -19.3775 -19.3775 -19.3773 -19.3773 -19.3773 -19.3773 -19.3391 -19.3391 -19.3391 -19.3391 -19.3369 -19.3369 -19.3369 -19.3369 -19.2079 -19.2079 -19.2079 -19.2079 -19.2054 -19.2054 -19.2054 -19.2054 -19.1887 -19.1887 -19.1887 -19.1887 -19.1863 -19.1863 -19.1863 -19.1863 -19.1687 -19.1687 -19.1687 -19.1687 -19.1657 -19.1657 -19.1657 -19.1657 -19.1504 -19.1504 -19.1504 -19.1504 -19.1491 -19.1491 -19.1491 -19.1491 -18.1459 -18.1459 -18.1459 -18.1459 -18.1446 -18.1446 -18.1446 -18.1446 -18.1164 -18.1164 -18.1164 -18.1164 -18.1154 -18.1154 -18.1154 -18.1154 -17.1396 -17.1396 -17.1396 -17.1396 -17.1335 -17.1335 -17.1335 -17.1335 -17.0921 -17.0921 -17.0921 -17.0921 -17.0896 -17.0896 -17.0896 -17.0896 -17.0758 -17.0758 -17.0758 -17.0758 -17.0727 -17.0727 -17.0727 -17.0727 -8.8569 -8.8569 -8.8569 -8.8569 -8.8205 -8.8205 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-7.5905 -7.5905 -2.9468 -2.9468 -2.8504 -2.8504 -2.8072 -2.8072 -2.7260 -2.7260 0.2878 0.2878 0.3458 0.3458 0.3581 0.3581 0.4000 0.4000 0.8224 0.8224 0.9164 0.9164 1.0569 1.0569 1.1320 1.1320 1.2698 1.2698 1.4678 1.4678 1.4815 1.4815 1.6868 1.6868 1.9510 1.9510 2.0762 2.0762 2.1205 2.1205 2.2945 2.2945 2.4474 2.4474 2.5165 2.5165 2.6003 2.6003 2.6288 2.6288 2.7208 2.7208 2.7688 2.7688 2.8623 2.8623 2.9144 2.9144 3.0336 3.0336 3.1192 3.1192 3.2001 3.2001 3.2240 3.2240 3.2992 3.2992 3.3216 3.3216 3.4386 3.4386 3.4670 3.4670 5.8545 5.8545 6.0469 6.0469 6.1151 6.1151 6.1603 6.1603 6.9465 6.9465 7.0794 7.0794 7.1524 7.1524 7.2567 7.2567 7.7751 7.7751 7.8461 7.8461 8.0905 8.0905 8.1605 8.1605 8.3479 8.3479 8.4736 8.4736 8.7016 8.7016 8.7448 8.7448 8.9171 8.9171 9.2710 9.2710 9.3181 9.3181 9.4692 9.4692 k = 0.0000 1.4124-0.3089 ( 41839 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.2926 -47.2926 -47.2926 -47.2926 -47.2923 -47.2923 -47.2923 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-2.9605 -2.8627 -2.8627 -2.7871 -2.7871 -2.7080 -2.7080 0.2884 0.2884 0.3507 0.3507 0.3726 0.3726 0.4227 0.4227 0.8114 0.8114 0.9246 0.9246 1.0439 1.0439 1.1318 1.1318 1.2353 1.2353 1.4414 1.4414 1.4954 1.4954 1.6990 1.6990 1.9263 1.9263 2.0659 2.0659 2.1202 2.1202 2.3172 2.3172 2.4489 2.4489 2.5205 2.5205 2.6192 2.6192 2.6528 2.6528 2.7183 2.7183 2.7776 2.7776 2.8424 2.8424 2.9114 2.9114 3.0224 3.0224 3.1234 3.1234 3.1939 3.1939 3.2200 3.2200 3.2915 3.2915 3.3169 3.3169 3.4348 3.4348 3.4677 3.4677 5.8292 5.8292 6.0574 6.0574 6.1101 6.1101 6.1593 6.1593 6.9406 6.9406 7.1072 7.1072 7.1456 7.1456 7.2743 7.2743 7.7470 7.7470 7.8479 7.8479 8.0955 8.0955 8.1686 8.1686 8.3191 8.3191 8.4527 8.4527 8.6841 8.6841 8.7783 8.7783 8.8793 8.8793 9.2968 9.2968 9.3577 9.3577 9.4405 9.4405 k = 0.0000 1.4322-0.2614 ( 41834 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.2926 -47.2926 -47.2926 -47.2926 -47.2923 -47.2923 -47.2923 -47.2923 -19.3776 -19.3776 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-2.6714 0.2960 0.2960 0.3635 0.3635 0.4066 0.4066 0.4772 0.4772 0.7931 0.7931 0.9310 0.9310 1.0226 1.0226 1.1205 1.1205 1.1674 1.1674 1.3912 1.3912 1.5219 1.5219 1.6983 1.6983 1.8853 1.8853 2.0647 2.0647 2.1057 2.1057 2.3503 2.3503 2.4628 2.4628 2.5310 2.5310 2.6462 2.6462 2.6918 2.6918 2.7177 2.7177 2.8010 2.8010 2.8043 2.8043 2.9099 2.9099 3.0025 3.0025 3.1147 3.1147 3.1777 3.1777 3.2143 3.2143 3.2775 3.2775 3.3043 3.3043 3.4318 3.4318 3.4688 3.4688 5.7814 5.7814 6.0427 6.0427 6.1275 6.1275 6.1560 6.1560 6.9324 6.9324 7.1341 7.1341 7.1671 7.1671 7.3092 7.3092 7.6857 7.6857 7.8532 7.8532 8.1050 8.1050 8.1821 8.1821 8.2712 8.2712 8.4087 8.4087 8.6386 8.6386 8.8128 8.8128 8.8701 8.8701 9.3567 9.3567 9.3895 9.3895 9.4275 9.4275 k = 0.0000 1.4718-0.1663 ( 41839 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.2926 -47.2926 -47.2926 -47.2926 -47.2923 -47.2923 -47.2923 -47.2923 -19.3776 -19.3776 -19.3775 -19.3775 -19.3773 -19.3773 -19.3772 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0.3708 0.3708 0.4262 0.4262 0.5079 0.5079 0.7863 0.7863 0.9261 0.9261 1.0170 1.0170 1.1082 1.1082 1.1368 1.1368 1.3690 1.3690 1.5343 1.5343 1.6857 1.6857 1.8709 1.8709 2.0667 2.0667 2.0995 2.0995 2.3602 2.3602 2.4679 2.4679 2.5368 2.5368 2.6552 2.6552 2.6951 2.6951 2.7267 2.7267 2.7869 2.7869 2.8177 2.8177 2.9121 2.9121 2.9955 2.9955 3.1006 3.1006 3.1695 3.1695 3.2121 3.2121 3.2714 3.2714 3.2998 3.2998 3.4323 3.4323 3.4700 3.4700 5.7596 5.7596 6.0272 6.0272 6.1404 6.1404 6.1546 6.1546 6.9295 6.9295 7.1288 7.1288 7.1973 7.1973 7.3257 7.3257 7.6566 7.6566 7.8565 7.8565 8.1004 8.1004 8.1873 8.1873 8.2608 8.2608 8.3907 8.3907 8.6160 8.6160 8.7995 8.7995 8.9070 8.9070 9.3501 9.3501 9.4068 9.4068 9.4564 9.4564 k = 0.0000 1.4916-0.1187 ( 41854 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.2927 -47.2927 -47.2926 -47.2926 -47.2923 -47.2923 -47.2923 -47.2923 -19.3777 -19.3777 -19.3775 -19.3775 -19.3773 -19.3773 -19.3772 -19.3772 -19.3392 -19.3392 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0.5404 0.5404 0.7814 0.7814 0.9150 0.9150 1.0147 1.0147 1.0895 1.0895 1.1119 1.1119 1.3491 1.3491 1.5462 1.5462 1.6680 1.6680 1.8603 1.8603 2.0587 2.0587 2.1050 2.1050 2.3656 2.3656 2.4651 2.4651 2.5445 2.5445 2.6631 2.6631 2.6880 2.6880 2.7377 2.7377 2.7763 2.7763 2.8324 2.8324 2.9145 2.9145 2.9917 2.9917 3.0836 3.0836 3.1611 3.1611 3.2091 3.2091 3.2666 3.2666 3.2983 3.2983 3.4338 3.4338 3.4722 3.4722 5.7395 5.7395 6.0108 6.0108 6.1479 6.1479 6.1579 6.1579 6.9271 6.9271 7.1230 7.1230 7.2263 7.2263 7.3411 7.3411 7.6312 7.6312 7.8601 7.8601 8.0853 8.0853 8.1906 8.1906 8.2648 8.2648 8.3771 8.3771 8.5955 8.5955 8.7924 8.7924 8.9421 8.9421 9.3323 9.3323 9.4372 9.4372 9.4837 9.4837 k = 0.0000 1.5114-0.0712 ( 41853 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.3358 -47.2927 -47.2927 -47.2926 -47.2926 -47.2923 -47.2923 -47.2923 -47.2923 -19.3777 -19.3777 -19.3775 -19.3775 -19.3773 -19.3773 -19.3772 -19.3772 -19.3392 -19.3392 -19.3392 -19.3392 -19.3368 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3.0516 3.0835 3.0835 3.1366 3.1366 3.1596 3.1596 3.3160 3.3160 3.3275 3.3275 3.4193 3.4193 3.4454 3.4454 5.7638 5.7638 5.7881 5.7881 6.0913 6.0913 6.1216 6.1216 7.1781 7.1781 7.2099 7.2099 7.4837 7.4837 7.5001 7.5001 7.6483 7.6483 7.6619 7.6619 8.2030 8.2030 8.2282 8.2282 8.4673 8.4673 8.4740 8.4740 8.8139 8.8139 8.8305 8.8305 9.0356 9.0356 9.0572 9.0572 9.2324 9.2324 9.2535 9.2535 k = 0.5000 0.6908 1.2125 ( 41874 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3357 -47.3357 -47.3357 -47.3357 -47.2927 -47.2927 -47.2927 -47.2927 -47.2923 -47.2923 -47.2923 -47.2923 -19.3780 -19.3780 -19.3779 -19.3779 -19.3769 -19.3769 -19.3768 -19.3768 -19.3391 -19.3391 -19.3391 -19.3391 -19.3369 -19.3369 -19.3369 -19.3369 -19.2078 -19.2078 -19.2074 -19.2074 -19.2059 -19.2059 -19.2056 -19.2056 -19.1890 -19.1890 -19.1877 -19.1877 -19.1873 -19.1873 -19.1860 -19.1860 -19.1687 -19.1687 -19.1687 -19.1687 -19.1658 -19.1658 -19.1658 -19.1658 -19.1503 -19.1503 -19.1503 -19.1503 -19.1489 -19.1489 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3.1335 3.1335 3.1616 3.1616 3.3241 3.3241 3.3347 3.3347 3.4095 3.4095 3.4373 3.4373 5.7519 5.7519 5.7749 5.7749 6.0837 6.0837 6.1122 6.1122 7.2176 7.2176 7.2482 7.2482 7.5001 7.5001 7.5031 7.5031 7.6458 7.6458 7.6677 7.6677 8.2241 8.2241 8.2531 8.2531 8.4846 8.4846 8.4879 8.4879 8.8168 8.8168 8.8428 8.8428 9.0243 9.0243 9.0515 9.0515 9.2263 9.2263 9.2519 9.2519 k = 0.5000 0.6415 1.2125 ( 41858 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3357 -47.3357 -47.3357 -47.3357 -47.2926 -47.2926 -47.2926 -47.2926 -47.2923 -47.2923 -47.2923 -47.2923 -19.3780 -19.3780 -19.3779 -19.3779 -19.3768 -19.3768 -19.3767 -19.3767 -19.3390 -19.3390 -19.3390 -19.3390 -19.3369 -19.3369 -19.3369 -19.3369 -19.2077 -19.2077 -19.2073 -19.2073 -19.2060 -19.2060 -19.2056 -19.2056 -19.1890 -19.1890 -19.1875 -19.1875 -19.1873 -19.1873 -19.1859 -19.1859 -19.1686 -19.1686 -19.1686 -19.1686 -19.1658 -19.1658 -19.1658 -19.1658 -19.1503 -19.1503 -19.1503 -19.1503 -19.1489 -19.1489 -19.1489 -19.1489 -18.1494 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3.3304 3.3304 3.3380 3.3380 3.4022 3.4022 3.4296 3.4296 5.7403 5.7403 5.7621 5.7621 6.0768 6.0768 6.1032 6.1032 7.2558 7.2558 7.2832 7.2832 7.5018 7.5018 7.5134 7.5134 7.6514 7.6514 7.6800 7.6800 8.2460 8.2460 8.2780 8.2780 8.4957 8.4957 8.4961 8.4961 8.8099 8.8099 8.8418 8.8418 9.0252 9.0252 9.0539 9.0539 9.2205 9.2205 9.2491 9.2491 k = 0.5000 0.5922 1.2125 ( 41854 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3357 -47.3357 -47.3357 -47.3357 -47.2926 -47.2926 -47.2926 -47.2926 -47.2923 -47.2923 -47.2923 -47.2923 -19.3780 -19.3780 -19.3779 -19.3779 -19.3768 -19.3768 -19.3767 -19.3767 -19.3390 -19.3390 -19.3390 -19.3390 -19.3369 -19.3369 -19.3369 -19.3369 -19.2077 -19.2077 -19.2072 -19.2072 -19.2060 -19.2060 -19.2056 -19.2056 -19.1890 -19.1890 -19.1874 -19.1874 -19.1874 -19.1874 -19.1859 -19.1859 -19.1686 -19.1686 -19.1686 -19.1686 -19.1658 -19.1658 -19.1658 -19.1658 -19.1502 -19.1502 -19.1502 -19.1502 -19.1490 -19.1490 -19.1490 -19.1490 -18.1496 -18.1496 -18.1488 -18.1488 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5.7271 6.0607 6.0607 6.0808 6.0808 7.3415 7.3415 7.3499 7.3499 7.4902 7.4902 7.5249 7.5249 7.7399 7.7399 7.7582 7.7582 8.3087 8.3087 8.3423 8.3423 8.4883 8.4883 8.5031 8.5031 8.7640 8.7640 8.7959 8.7959 9.0587 9.0587 9.0765 9.0765 9.1921 9.1921 9.2233 9.2233 k = 0.5000 0.4441 1.2125 ( 41816 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3357 -47.3357 -47.3357 -47.3357 -47.2926 -47.2926 -47.2926 -47.2926 -47.2923 -47.2923 -47.2923 -47.2923 -19.3781 -19.3781 -19.3780 -19.3780 -19.3766 -19.3766 -19.3766 -19.3766 -19.3389 -19.3389 -19.3389 -19.3389 -19.3369 -19.3369 -19.3369 -19.3369 -19.2075 -19.2075 -19.2070 -19.2070 -19.2062 -19.2062 -19.2058 -19.2058 -19.1889 -19.1889 -19.1877 -19.1877 -19.1871 -19.1871 -19.1860 -19.1860 -19.1686 -19.1686 -19.1686 -19.1686 -19.1659 -19.1659 -19.1659 -19.1659 -19.1501 -19.1501 -19.1501 -19.1501 -19.1490 -19.1490 -19.1490 -19.1490 -18.1500 -18.1500 -18.1494 -18.1494 -18.1410 -18.1410 -18.1402 -18.1402 -18.1185 -18.1185 -18.1179 -18.1179 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6.0750 6.0750 7.3544 7.3544 7.3576 7.3576 7.4905 7.4905 7.5252 7.5252 7.7876 7.7876 7.7967 7.7967 8.3249 8.3249 8.3554 8.3554 8.4790 8.4790 8.4999 8.4999 8.7497 8.7497 8.7804 8.7804 9.0650 9.0650 9.0786 9.0786 9.1801 9.1801 9.2120 9.2120 k = 0.5000 0.3948 1.2125 ( 41824 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3357 -47.3357 -47.3357 -47.3357 -47.2926 -47.2926 -47.2926 -47.2926 -47.2923 -47.2923 -47.2923 -47.2923 -19.3781 -19.3781 -19.3780 -19.3780 -19.3766 -19.3766 -19.3766 -19.3766 -19.3389 -19.3389 -19.3389 -19.3389 -19.3369 -19.3369 -19.3369 -19.3369 -19.2074 -19.2074 -19.2069 -19.2069 -19.2063 -19.2063 -19.2058 -19.2058 -19.1888 -19.1888 -19.1877 -19.1877 -19.1870 -19.1870 -19.1860 -19.1860 -19.1686 -19.1686 -19.1686 -19.1686 -19.1659 -19.1659 -19.1659 -19.1659 -19.1501 -19.1501 -19.1501 -19.1501 -19.1490 -19.1490 -19.1490 -19.1490 -18.1501 -18.1501 -18.1496 -18.1496 -18.1408 -18.1408 -18.1401 -18.1401 -18.1186 -18.1186 -18.1180 -18.1180 -18.1145 -18.1145 -18.1141 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7.3588 7.3595 7.3595 7.4948 7.4948 7.5268 7.5268 7.8396 7.8396 7.8399 7.8399 8.3370 8.3370 8.3625 8.3625 8.4681 8.4681 8.4955 8.4955 8.7381 8.7381 8.7679 8.7679 9.0643 9.0643 9.0744 9.0744 9.1704 9.1704 9.2029 9.2029 k = 0.5000 0.3454 1.2125 ( 41806 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3357 -47.3357 -47.3357 -47.3357 -47.2926 -47.2926 -47.2926 -47.2926 -47.2923 -47.2923 -47.2923 -47.2923 -19.3781 -19.3781 -19.3780 -19.3780 -19.3766 -19.3766 -19.3765 -19.3765 -19.3389 -19.3389 -19.3389 -19.3389 -19.3369 -19.3369 -19.3369 -19.3369 -19.2074 -19.2074 -19.2069 -19.2069 -19.2064 -19.2064 -19.2059 -19.2059 -19.1888 -19.1888 -19.1878 -19.1878 -19.1869 -19.1869 -19.1860 -19.1860 -19.1685 -19.1685 -19.1685 -19.1685 -19.1659 -19.1659 -19.1659 -19.1659 -19.1500 -19.1500 -19.1500 -19.1500 -19.1491 -19.1491 -19.1491 -19.1491 -18.1502 -18.1502 -18.1497 -18.1497 -18.1407 -18.1407 -18.1400 -18.1400 -18.1186 -18.1186 -18.1181 -18.1181 -18.1145 -18.1145 -18.1141 -18.1141 -17.1455 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8.3258 8.4150 8.4150 8.4474 8.4474 8.7233 8.7233 8.7447 8.7447 8.9726 8.9726 8.9835 8.9835 9.1775 9.1775 9.1952 9.1952 k = 0.5000 0.0987 1.2125 ( 41830 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3357 -47.3357 -47.3357 -47.3357 -47.2926 -47.2926 -47.2926 -47.2926 -47.2924 -47.2924 -47.2924 -47.2924 -19.3781 -19.3781 -19.3781 -19.3781 -19.3765 -19.3765 -19.3765 -19.3765 -19.3389 -19.3389 -19.3389 -19.3389 -19.3370 -19.3370 -19.3370 -19.3370 -19.2070 -19.2070 -19.2067 -19.2067 -19.2065 -19.2065 -19.2062 -19.2062 -19.1885 -19.1885 -19.1882 -19.1882 -19.1865 -19.1865 -19.1863 -19.1863 -19.1685 -19.1685 -19.1685 -19.1685 -19.1659 -19.1659 -19.1659 -19.1659 -19.1499 -19.1499 -19.1499 -19.1499 -19.1491 -19.1491 -19.1491 -19.1491 -18.1504 -18.1504 -18.1503 -18.1503 -18.1400 -18.1400 -18.1398 -18.1398 -18.1187 -18.1187 -18.1186 -18.1186 -18.1142 -18.1142 -18.1141 -18.1141 -17.1455 -17.1455 -17.1450 -17.1450 -17.1284 -17.1284 -17.1274 -17.1274 -17.0946 -17.0946 -17.0941 -17.0941 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8.4341 8.4341 8.7276 8.7276 8.7438 8.7438 8.9558 8.9558 8.9649 8.9649 9.1828 9.1828 9.1950 9.1950 k = 0.5000 0.0493 1.2125 ( 41828 PWs) bands (ev): -47.3359 -47.3359 -47.3359 -47.3359 -47.3357 -47.3357 -47.3357 -47.3357 -47.2926 -47.2926 -47.2926 -47.2926 -47.2924 -47.2924 -47.2924 -47.2924 -19.3781 -19.3781 -19.3781 -19.3781 -19.3765 -19.3765 -19.3765 -19.3765 -19.3389 -19.3389 -19.3389 -19.3389 -19.3370 -19.3370 -19.3370 -19.3370 -19.2070 -19.2070 -19.2068 -19.2068 -19.2064 -19.2064 -19.2063 -19.2063 -19.1884 -19.1884 -19.1883 -19.1883 -19.1865 -19.1865 -19.1863 -19.1863 -19.1685 -19.1685 -19.1685 -19.1685 -19.1659 -19.1659 -19.1659 -19.1659 -19.1499 -19.1499 -19.1499 -19.1499 -19.1491 -19.1491 -19.1491 -19.1491 -18.1504 -18.1504 -18.1504 -18.1504 -18.1399 -18.1399 -18.1398 -18.1398 -18.1187 -18.1187 -18.1186 -18.1186 -18.1142 -18.1142 -18.1141 -18.1141 -17.1454 -17.1454 -17.1451 -17.1451 -17.1281 -17.1281 -17.1276 -17.1276 -17.0945 -17.0945 -17.0943 -17.0943 -17.0886 -17.0886 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8.7330 8.7330 8.7418 8.7418 8.9458 8.9458 8.9512 8.9512 9.1875 9.1875 9.1937 9.1937 k = 0.5000-0.0000 1.2125 ( 41836 PWs) bands (ev): -47.3359 -47.3359 -47.3359 -47.3359 -47.3357 -47.3357 -47.3357 -47.3357 -47.2926 -47.2926 -47.2926 -47.2926 -47.2924 -47.2924 -47.2924 -47.2924 -19.3781 -19.3781 -19.3781 -19.3781 -19.3765 -19.3765 -19.3765 -19.3765 -19.3389 -19.3389 -19.3389 -19.3389 -19.3370 -19.3370 -19.3370 -19.3370 -19.2069 -19.2069 -19.2069 -19.2069 -19.2063 -19.2063 -19.2063 -19.2063 -19.1884 -19.1884 -19.1884 -19.1884 -19.1864 -19.1864 -19.1864 -19.1864 -19.1685 -19.1685 -19.1685 -19.1685 -19.1659 -19.1659 -19.1659 -19.1659 -19.1499 -19.1499 -19.1499 -19.1499 -19.1492 -19.1492 -19.1492 -19.1492 -18.1504 -18.1504 -18.1504 -18.1504 -18.1399 -18.1399 -18.1399 -18.1399 -18.1187 -18.1187 -18.1187 -18.1187 -18.1142 -18.1142 -18.1142 -18.1142 -17.1453 -17.1453 -17.1453 -17.1453 -17.1278 -17.1278 -17.1278 -17.1278 -17.0944 -17.0944 -17.0944 -17.0944 -17.0885 -17.0885 -17.0885 -17.0885 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8.7381 8.9443 8.9443 8.9443 8.9443 9.1912 9.1912 9.1912 9.1912 k = 0.5000-0.0000 1.2125 ( 41836 PWs) bands (ev): -47.3359 -47.3359 -47.3359 -47.3359 -47.3357 -47.3357 -47.3357 -47.3357 -47.2926 -47.2926 -47.2926 -47.2926 -47.2924 -47.2924 -47.2924 -47.2924 -19.3781 -19.3781 -19.3781 -19.3781 -19.3765 -19.3765 -19.3765 -19.3765 -19.3389 -19.3389 -19.3389 -19.3389 -19.3370 -19.3370 -19.3370 -19.3370 -19.2069 -19.2069 -19.2069 -19.2069 -19.2063 -19.2063 -19.2063 -19.2063 -19.1884 -19.1884 -19.1884 -19.1884 -19.1864 -19.1864 -19.1864 -19.1864 -19.1685 -19.1685 -19.1685 -19.1685 -19.1659 -19.1659 -19.1659 -19.1659 -19.1499 -19.1499 -19.1499 -19.1499 -19.1492 -19.1492 -19.1492 -19.1492 -18.1504 -18.1504 -18.1504 -18.1504 -18.1399 -18.1399 -18.1399 -18.1399 -18.1187 -18.1187 -18.1187 -18.1187 -18.1142 -18.1142 -18.1142 -18.1142 -17.1453 -17.1453 -17.1453 -17.1453 -17.1278 -17.1278 -17.1278 -17.1278 -17.0944 -17.0944 -17.0944 -17.0944 -17.0885 -17.0885 -17.0885 -17.0885 -17.0769 -17.0769 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8.9443 8.9443 8.9443 9.1912 9.1912 9.1912 9.1912 k = 0.5000-0.0000 1.1620 ( 41830 PWs) bands (ev): -47.3359 -47.3359 -47.3359 -47.3359 -47.3357 -47.3357 -47.3357 -47.3357 -47.2926 -47.2926 -47.2926 -47.2926 -47.2924 -47.2924 -47.2924 -47.2924 -19.3781 -19.3781 -19.3781 -19.3781 -19.3765 -19.3765 -19.3765 -19.3765 -19.3389 -19.3389 -19.3389 -19.3389 -19.3370 -19.3370 -19.3370 -19.3370 -19.2069 -19.2069 -19.2069 -19.2069 -19.2063 -19.2063 -19.2063 -19.2063 -19.1884 -19.1884 -19.1884 -19.1884 -19.1864 -19.1864 -19.1864 -19.1864 -19.1685 -19.1685 -19.1685 -19.1685 -19.1659 -19.1659 -19.1659 -19.1659 -19.1499 -19.1499 -19.1499 -19.1499 -19.1491 -19.1491 -19.1491 -19.1491 -18.1504 -18.1504 -18.1504 -18.1504 -18.1399 -18.1399 -18.1399 -18.1399 -18.1187 -18.1187 -18.1187 -18.1187 -18.1142 -18.1142 -18.1142 -18.1142 -17.1453 -17.1453 -17.1453 -17.1453 -17.1278 -17.1278 -17.1278 -17.1278 -17.0944 -17.0944 -17.0944 -17.0944 -17.0885 -17.0885 -17.0885 -17.0885 -17.0769 -17.0769 -17.0769 -17.0769 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9.1884 9.1884 9.1927 9.1927 k = 0.5000-0.0000 1.1115 ( 41818 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3357 -47.3357 -47.3357 -47.3357 -47.2926 -47.2926 -47.2926 -47.2926 -47.2924 -47.2924 -47.2924 -47.2924 -19.3781 -19.3781 -19.3781 -19.3781 -19.3765 -19.3765 -19.3765 -19.3765 -19.3389 -19.3389 -19.3389 -19.3389 -19.3369 -19.3369 -19.3369 -19.3369 -19.2069 -19.2069 -19.2069 -19.2069 -19.2063 -19.2063 -19.2063 -19.2063 -19.1884 -19.1884 -19.1884 -19.1884 -19.1864 -19.1864 -19.1864 -19.1864 -19.1685 -19.1685 -19.1685 -19.1685 -19.1659 -19.1659 -19.1659 -19.1659 -19.1500 -19.1500 -19.1500 -19.1500 -19.1491 -19.1491 -19.1491 -19.1491 -18.1504 -18.1504 -18.1504 -18.1504 -18.1399 -18.1399 -18.1398 -18.1398 -18.1187 -18.1187 -18.1187 -18.1187 -18.1142 -18.1142 -18.1142 -18.1142 -17.1453 -17.1453 -17.1453 -17.1453 -17.1278 -17.1278 -17.1278 -17.1278 -17.0944 -17.0944 -17.0944 -17.0944 -17.0885 -17.0885 -17.0885 -17.0885 -17.0769 -17.0769 -17.0769 -17.0769 -17.0711 -17.0711 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9.1938 9.1938 k = 0.5000-0.0000 1.0610 ( 41824 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3357 -47.3357 -47.3357 -47.3357 -47.2926 -47.2926 -47.2926 -47.2926 -47.2924 -47.2924 -47.2924 -47.2924 -19.3781 -19.3781 -19.3781 -19.3781 -19.3765 -19.3765 -19.3765 -19.3765 -19.3389 -19.3389 -19.3389 -19.3389 -19.3369 -19.3369 -19.3369 -19.3369 -19.2069 -19.2069 -19.2069 -19.2069 -19.2063 -19.2063 -19.2063 -19.2063 -19.1884 -19.1884 -19.1884 -19.1884 -19.1864 -19.1864 -19.1864 -19.1864 -19.1685 -19.1685 -19.1685 -19.1685 -19.1659 -19.1659 -19.1659 -19.1659 -19.1500 -19.1500 -19.1500 -19.1500 -19.1490 -19.1490 -19.1490 -19.1490 -18.1504 -18.1504 -18.1504 -18.1504 -18.1399 -18.1399 -18.1398 -18.1398 -18.1187 -18.1187 -18.1187 -18.1187 -18.1142 -18.1142 -18.1142 -18.1142 -17.1453 -17.1453 -17.1453 -17.1453 -17.1278 -17.1278 -17.1278 -17.1278 -17.0944 -17.0944 -17.0944 -17.0944 -17.0885 -17.0885 -17.0885 -17.0885 -17.0769 -17.0769 -17.0769 -17.0769 -17.0712 -17.0712 -17.0711 -17.0711 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-2.0061 -0.1753 -0.1753 -0.1685 -0.1685 -0.0111 -0.0111 -0.0084 -0.0084 0.5442 0.5442 0.5480 0.5480 0.9999 0.9999 1.0080 1.0080 1.2314 1.2314 1.2448 1.2448 1.5087 1.5087 1.5176 1.5176 2.1484 2.1484 2.1588 2.1588 2.3926 2.3926 2.3969 2.3969 2.5032 2.5032 2.5135 2.5135 2.5862 2.5862 2.6036 2.6036 2.7052 2.7052 2.7118 2.7118 2.8979 2.8979 2.9172 2.9172 2.9763 2.9763 3.0221 3.0221 3.1458 3.1458 3.1857 3.1857 3.2432 3.2432 3.2710 3.2710 3.5878 3.5878 3.6158 3.6158 5.7107 5.7107 5.7181 5.7181 5.9537 5.9537 5.9580 5.9580 7.2497 7.2497 7.2640 7.2640 7.6465 7.6465 7.6561 7.6561 8.2470 8.2470 8.2479 8.2479 8.3130 8.3130 8.3283 8.3283 8.6586 8.6586 8.6622 8.6622 8.8613 8.8613 8.8752 8.8752 8.9865 8.9865 9.0243 9.0243 9.3131 9.3131 9.3148 9.3148 k = 0.5000-0.0000 0.3031 ( 41854 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3357 -47.3357 -47.3357 -47.3357 -47.2927 -47.2927 -47.2927 -47.2927 -47.2923 -47.2923 -47.2923 -47.2923 -19.3782 -19.3782 -19.3782 -19.3782 -19.3765 -19.3765 -19.3765 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-0.1664 -0.1664 -0.0109 -0.0109 -0.0084 -0.0084 0.5337 0.5337 0.5371 0.5371 0.9921 0.9921 0.9991 0.9991 1.2400 1.2400 1.2522 1.2522 1.5130 1.5130 1.5206 1.5206 2.1403 2.1403 2.1503 2.1503 2.3842 2.3842 2.3902 2.3902 2.5050 2.5050 2.5137 2.5137 2.5900 2.5900 2.6077 2.6077 2.6960 2.6960 2.7013 2.7013 2.9072 2.9072 2.9285 2.9285 2.9839 2.9839 3.0342 3.0342 3.1492 3.1492 3.1910 3.1910 3.2558 3.2558 3.2810 3.2810 3.5968 3.5968 3.6228 3.6228 5.6847 5.6847 5.6912 5.6912 5.9652 5.9652 5.9692 5.9692 7.2470 7.2470 7.2590 7.2590 7.6372 7.6372 7.6443 7.6443 8.2486 8.2486 8.2535 8.2535 8.3366 8.3366 8.3404 8.3404 8.6753 8.6753 8.6953 8.6953 8.8752 8.8752 8.8967 8.8967 9.0196 9.0196 9.0532 9.0532 9.3257 9.3257 9.3277 9.3277 k = 0.5000-0.0000 0.2526 ( 41852 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3357 -47.3357 -47.3357 -47.3357 -47.2927 -47.2927 -47.2927 -47.2927 -47.2923 -47.2923 -47.2923 -47.2923 -19.3782 -19.3782 -19.3782 -19.3782 -19.3765 -19.3765 -19.3765 -19.3765 -19.3396 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-0.0106 -0.0106 -0.0084 -0.0084 0.5246 0.5246 0.5276 0.5276 0.9851 0.9851 0.9910 0.9910 1.2486 1.2486 1.2592 1.2592 1.5171 1.5171 1.5234 1.5234 2.1326 2.1326 2.1418 2.1418 2.3769 2.3769 2.3835 2.3835 2.5055 2.5055 2.5125 2.5125 2.5930 2.5930 2.6095 2.6095 2.6880 2.6880 2.6917 2.6917 2.9162 2.9162 2.9370 2.9370 2.9934 2.9934 3.0438 3.0438 3.1555 3.1555 3.1961 3.1961 3.2685 3.2685 3.2908 3.2908 3.6053 3.6053 3.6285 3.6285 5.6596 5.6596 5.6651 5.6651 5.9766 5.9766 5.9800 5.9800 7.2449 7.2449 7.2546 7.2546 7.6284 7.6284 7.6335 7.6335 8.2494 8.2494 8.2571 8.2571 8.3511 8.3511 8.3566 8.3566 8.6917 8.6917 8.7243 8.7243 8.8869 8.8869 8.9124 8.9124 9.0576 9.0576 9.0849 9.0849 9.3425 9.3425 9.3445 9.3445 k = 0.5000-0.0000 0.2021 ( 41866 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3357 -47.3357 -47.3357 -47.3357 -47.2927 -47.2927 -47.2927 -47.2927 -47.2923 -47.2923 -47.2923 -47.2923 -19.3782 -19.3782 -19.3782 -19.3782 -19.3765 -19.3765 -19.3765 -19.3765 -19.3396 -19.3396 -19.3396 -19.3396 -19.3362 -19.3362 -19.3362 -19.3362 -19.2069 -19.2069 -19.2069 -19.2069 -19.2064 -19.2064 -19.2064 -19.2064 -19.1884 -19.1884 -19.1884 -19.1884 -19.1864 -19.1864 -19.1864 -19.1864 -19.1692 -19.1692 -19.1692 -19.1692 -19.1654 -19.1654 -19.1654 -19.1654 -19.1511 -19.1511 -19.1511 -19.1511 -19.1478 -19.1478 -19.1478 -19.1478 -18.1504 -18.1504 -18.1504 -18.1504 -18.1399 -18.1399 -18.1399 -18.1399 -18.1187 -18.1187 -18.1187 -18.1187 -18.1142 -18.1142 -18.1142 -18.1142 -17.1453 -17.1453 -17.1453 -17.1453 -17.1278 -17.1278 -17.1278 -17.1278 -17.0944 -17.0944 -17.0944 -17.0944 -17.0886 -17.0886 -17.0886 -17.0886 -17.0769 -17.0769 -17.0769 -17.0769 -17.0712 -17.0712 -17.0712 -17.0712 -9.3547 -9.3547 -9.3547 -9.3547 -8.3069 -8.3069 -8.3065 -8.3065 -7.9768 -7.9768 -7.9765 -7.9765 -7.7596 -7.7596 -7.7589 -7.7589 -7.5925 -7.5925 -7.5918 -7.5918 -7.5466 -7.5466 -7.5463 -7.5463 -3.1787 -3.1787 -3.1780 -3.1780 -2.0330 -2.0330 -2.0329 -2.0329 -0.1678 -0.1678 -0.1632 -0.1632 -0.0103 -0.0103 -0.0084 -0.0084 0.5170 0.5170 0.5195 0.5195 0.9792 0.9792 0.9840 0.9840 1.2565 1.2565 1.2654 1.2654 1.5209 1.5209 1.5259 1.5259 2.1257 2.1257 2.1337 2.1337 2.3710 2.3710 2.3773 2.3773 2.5055 2.5055 2.5108 2.5108 2.5949 2.5949 2.6092 2.6092 2.6814 2.6814 2.6837 2.6837 2.9243 2.9243 2.9426 2.9426 3.0041 3.0041 3.0497 3.0497 3.1642 3.1642 3.2004 3.2004 3.2807 3.2807 3.2996 3.2996 3.6131 3.6131 3.6328 3.6328 5.6371 5.6371 5.6415 5.6415 5.9868 5.9868 5.9897 5.9897 7.2433 7.2433 7.2509 7.2509 7.6208 7.6208 7.6243 7.6243 8.2511 8.2511 8.2602 8.2602 8.3587 8.3587 8.3699 8.3699 8.7082 8.7082 8.7468 8.7468 8.8987 8.8987 8.9244 8.9244 9.0961 9.0961 9.1165 9.1165 9.3616 9.3616 9.3633 9.3633 k = 0.5000-0.0000 0.1516 ( 41860 PWs) bands (ev): -47.3359 -47.3359 -47.3359 -47.3359 -47.3357 -47.3357 -47.3357 -47.3357 -47.2927 -47.2927 -47.2927 -47.2927 -47.2923 -47.2923 -47.2923 -47.2923 -19.3782 -19.3782 -19.3782 -19.3782 -19.3765 -19.3765 -19.3765 -19.3765 -19.3396 -19.3396 -19.3396 -19.3396 -19.3362 -19.3362 -19.3362 -19.3362 -19.2069 -19.2069 -19.2069 -19.2069 -19.2063 -19.2063 -19.2063 -19.2063 -19.1884 -19.1884 -19.1884 -19.1884 -19.1864 -19.1864 -19.1864 -19.1864 -19.1692 -19.1692 -19.1692 -19.1692 -19.1654 -19.1654 -19.1654 -19.1654 -19.1511 -19.1511 -19.1511 -19.1511 -19.1478 -19.1478 -19.1478 -19.1478 -18.1504 -18.1504 -18.1504 -18.1504 -18.1399 -18.1399 -18.1399 -18.1399 -18.1187 -18.1187 -18.1187 -18.1187 -18.1142 -18.1142 -18.1142 -18.1142 -17.1453 -17.1453 -17.1453 -17.1453 -17.1278 -17.1278 -17.1278 -17.1278 -17.0944 -17.0944 -17.0944 -17.0944 -17.0886 -17.0886 -17.0885 -17.0885 -17.0769 -17.0769 -17.0769 -17.0769 -17.0712 -17.0712 -17.0712 -17.0712 -9.3560 -9.3560 -9.3560 -9.3560 -8.3086 -8.3086 -8.3083 -8.3083 -7.9762 -7.9762 -7.9760 -7.9760 -7.7586 -7.7586 -7.7581 -7.7581 -7.5905 -7.5905 -7.5900 -7.5900 -7.5444 -7.5444 -7.5442 -7.5442 -3.1791 -3.1791 -3.1786 -3.1786 -2.0390 -2.0390 -2.0389 -2.0389 -0.1657 -0.1657 -0.1622 -0.1622 -0.0100 -0.0100 -0.0085 -0.0085 0.5111 0.5111 0.5130 0.5130 0.9746 0.9746 0.9782 0.9782 1.2635 1.2635 1.2704 1.2704 1.5241 1.5241 1.5279 1.5279 2.1202 2.1202 2.1265 2.1265 2.3666 2.3666 2.3719 2.3719 2.5053 2.5053 2.5090 2.5090 2.5962 2.5962 2.6074 2.6074 2.6762 2.6762 2.6776 2.6776 2.9312 2.9312 2.9457 2.9457 3.0148 3.0148 3.0517 3.0517 3.1742 3.1742 3.2033 3.2033 3.2918 3.2918 3.3067 3.3067 3.6201 3.6201 3.6357 3.6357 5.6183 5.6183 5.6217 5.6217 5.9954 5.9954 5.9976 5.9976 7.2423 7.2423 7.2478 7.2478 7.6147 7.6147 7.6169 7.6169 8.2540 8.2540 8.2630 8.2630 8.3634 8.3634 8.3764 8.3764 8.7247 8.7247 8.7613 8.7613 8.9115 8.9115 8.9338 8.9338 9.1309 9.1309 9.1452 9.1452 9.3806 9.3806 9.3819 9.3819 k = 0.5000-0.0000 0.1010 ( 41864 PWs) bands (ev): -47.3359 -47.3359 -47.3359 -47.3359 -47.3357 -47.3357 -47.3357 -47.3357 -47.2927 -47.2927 -47.2927 -47.2927 -47.2923 -47.2923 -47.2923 -47.2923 -19.3782 -19.3782 -19.3782 -19.3782 -19.3765 -19.3765 -19.3765 -19.3765 -19.3397 -19.3397 -19.3397 -19.3397 -19.3362 -19.3362 -19.3362 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0.5082 0.9714 0.9714 0.9738 0.9738 1.2691 1.2691 1.2738 1.2738 1.5268 1.5268 1.5293 1.5293 2.1164 2.1164 2.1208 2.1208 2.3638 2.3638 2.3676 2.3676 2.5051 2.5051 2.5075 2.5075 2.5972 2.5972 2.6049 2.6049 2.6726 2.6726 2.6733 2.6733 2.9370 2.9370 2.9469 2.9469 3.0249 3.0249 3.0506 3.0506 3.1841 3.1841 3.2043 3.2043 3.3010 3.3010 3.3114 3.3114 3.6261 3.6261 3.6369 3.6369 5.6043 5.6043 5.6065 5.6065 6.0019 6.0019 6.0033 6.0033 7.2418 7.2418 7.2454 7.2454 7.6102 7.6102 7.6115 7.6115 8.2577 8.2577 8.2649 8.2649 8.3664 8.3664 8.3775 8.3775 8.7400 8.7400 8.7680 8.7680 8.9241 8.9241 8.9402 8.9402 9.1588 9.1588 9.1678 9.1678 9.3970 9.3970 9.3979 9.3979 k = 0.5000-0.0000 0.0505 ( 41860 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3357 -47.3357 -47.3357 -47.3357 -47.2927 -47.2927 -47.2927 -47.2927 -47.2923 -47.2923 -47.2923 -47.2923 -19.3782 -19.3782 -19.3782 -19.3782 -19.3765 -19.3765 -19.3765 -19.3765 -19.3397 -19.3397 -19.3397 -19.3397 -19.3362 -19.3362 -19.3362 -19.3362 -19.2069 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1.2752 1.2752 1.2752 1.2752 1.5297 1.5297 1.5297 1.5297 2.1145 2.1145 2.1145 2.1145 2.3628 2.3628 2.3628 2.3628 2.5055 2.5055 2.5055 2.5055 2.6001 2.6001 2.6001 2.6001 2.6699 2.6699 2.6699 2.6699 2.9446 2.9446 2.9446 2.9446 3.0412 3.0412 3.0412 3.0412 3.1991 3.1991 3.1991 3.1991 3.3122 3.3122 3.3122 3.3122 3.6345 3.6345 3.6345 3.6345 5.5933 5.5933 5.5933 5.5933 6.0076 6.0076 6.0076 6.0076 7.2424 7.2424 7.2424 7.2424 7.6069 7.6069 7.6069 7.6069 8.2641 8.2641 8.2641 8.2641 8.3722 8.3722 8.3722 8.3722 8.7628 8.7628 8.7628 8.7628 8.9410 8.9410 8.9410 8.9410 9.1852 9.1852 9.1852 9.1852 9.4122 9.4122 9.4122 9.4122 k = 0.0000 0.0000 1.2125 ( 41808 PWs) bands (ev): -47.3358 -47.3358 -47.3358 -47.3358 -47.3357 -47.3357 -47.3357 -47.3357 -47.2926 -47.2926 -47.2926 -47.2926 -47.2924 -47.2924 -47.2923 -47.2923 -19.3782 -19.3782 -19.3781 -19.3781 -19.3765 -19.3765 -19.3765 -19.3765 -19.3388 -19.3388 -19.3388 -19.3388 -19.3370 -19.3370 -19.3370 -19.3370 -19.2069 -19.2069 -19.2069 -19.2069 -19.2063 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1.4959 1.5161 1.5161 1.9327 1.9327 1.9497 1.9497 2.0979 2.0979 2.3666 2.3666 2.4357 2.4357 2.5085 2.5085 2.5432 2.5432 2.5909 2.5909 2.7006 2.7006 2.8672 2.8672 2.9228 2.9228 2.9986 2.9986 3.0663 3.0663 3.0833 3.0833 3.1355 3.1355 3.1810 3.1810 3.2222 3.2222 3.3171 3.3171 3.3250 3.3250 3.4752 3.4752 5.4777 5.4777 5.8652 5.8652 5.9060 5.9060 6.0737 6.0737 7.1461 7.1461 7.4412 7.4412 7.6813 7.6813 7.8372 7.8372 7.9824 7.9824 8.1866 8.1866 8.2380 8.2380 8.2671 8.2671 8.3823 8.3823 8.5040 8.5040 8.6952 8.6952 8.7534 8.7534 8.7875 8.7875 9.0015 9.0015 9.0271 9.0271 9.3817 9.3817 k = 0.1000-0.0000 1.2125 ( 41806 PWs) bands (ev): -47.3359 -47.3359 -47.3358 -47.3358 -47.3357 -47.3357 -47.3357 -47.3357 -47.2926 -47.2926 -47.2926 -47.2926 -47.2924 -47.2924 -47.2923 -47.2923 -19.3782 -19.3782 -19.3781 -19.3781 -19.3765 -19.3765 -19.3765 -19.3765 -19.3388 -19.3388 -19.3388 -19.3388 -19.3370 -19.3370 -19.3370 -19.3370 -19.2069 -19.2069 -19.2069 -19.2069 -19.2063 -19.2063 -19.2063 -19.2063 -19.1884 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1.9318 1.9318 1.9572 1.9572 2.1023 2.1023 2.3644 2.3644 2.4254 2.4254 2.5161 2.5161 2.5472 2.5472 2.5928 2.5928 2.6924 2.6924 2.8646 2.8646 2.9245 2.9245 2.9998 2.9998 3.0663 3.0663 3.0818 3.0818 3.1325 3.1325 3.1781 3.1781 3.2276 3.2276 3.3139 3.3139 3.3293 3.3293 3.4726 3.4726 5.4858 5.4858 5.8454 5.8454 5.9254 5.9254 6.0741 6.0741 7.1527 7.1527 7.4383 7.4383 7.6630 7.6630 7.8078 7.8078 8.0131 8.0131 8.1926 8.1926 8.2350 8.2350 8.2752 8.2752 8.3880 8.3880 8.4813 8.4813 8.7192 8.7192 8.7478 8.7478 8.7775 8.7775 9.0075 9.0075 9.0342 9.0342 9.3534 9.3534 k = 0.1500-0.0000 1.2125 ( 41814 PWs) bands (ev): -47.3359 -47.3359 -47.3358 -47.3358 -47.3357 -47.3357 -47.3357 -47.3357 -47.2926 -47.2926 -47.2926 -47.2926 -47.2924 -47.2924 -47.2923 -47.2923 -19.3782 -19.3782 -19.3781 -19.3781 -19.3765 -19.3765 -19.3765 -19.3765 -19.3388 -19.3388 -19.3388 -19.3388 -19.3370 -19.3370 -19.3370 -19.3370 -19.2069 -19.2069 -19.2069 -19.2069 -19.2063 -19.2063 -19.2063 -19.2063 -19.1884 -19.1884 -19.1883 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2.1202 2.3574 2.3574 2.3967 2.3967 2.5326 2.5326 2.5606 2.5606 2.6041 2.6041 2.6632 2.6632 2.8513 2.8513 2.9311 2.9311 3.0022 3.0022 3.0670 3.0670 3.0782 3.0782 3.1216 3.1216 3.1703 3.1703 3.2434 3.2434 3.3097 3.3097 3.3386 3.3386 3.4620 3.4620 5.5160 5.5160 5.8045 5.8045 5.9636 5.9636 6.0749 6.0749 7.1784 7.1784 7.4263 7.4263 7.6121 7.6121 7.7294 7.7294 8.0891 8.0891 8.2053 8.2053 8.2324 8.2324 8.2893 8.2893 8.4069 8.4069 8.4350 8.4350 8.7003 8.7003 8.7481 8.7481 8.8264 8.8264 8.9824 8.9824 9.0910 9.0910 9.2895 9.2895 k = 0.2500-0.0000 1.2125 ( 41812 PWs) bands (ev): -47.3359 -47.3359 -47.3358 -47.3358 -47.3357 -47.3357 -47.3357 -47.3357 -47.2926 -47.2926 -47.2926 -47.2926 -47.2924 -47.2924 -47.2923 -47.2923 -19.3781 -19.3781 -19.3781 -19.3781 -19.3765 -19.3765 -19.3765 -19.3765 -19.3388 -19.3388 -19.3388 -19.3388 -19.3370 -19.3370 -19.3370 -19.3370 -19.2069 -19.2069 -19.2069 -19.2069 -19.2063 -19.2063 -19.2063 -19.2063 -19.1884 -19.1884 -19.1883 -19.1883 -19.1864 -19.1864 -19.1864 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2.3902 2.3902 2.5368 2.5368 2.5670 2.5670 2.6161 2.6161 2.6452 2.6452 2.8392 2.8392 2.9361 2.9361 3.0018 3.0018 3.0683 3.0683 3.0773 3.0773 3.1158 3.1158 3.1653 3.1653 3.2523 3.2523 3.3082 3.3082 3.3445 3.3445 3.4542 3.4542 5.5368 5.5368 5.7833 5.7833 5.9818 5.9818 6.0746 6.0746 7.1969 7.1969 7.4168 7.4168 7.5873 7.5873 7.6878 7.6878 8.1238 8.1238 8.2087 8.2087 8.2355 8.2355 8.2907 8.2907 8.4040 8.4040 8.4309 8.4309 8.6877 8.6877 8.7435 8.7435 8.8746 8.8746 8.9619 8.9619 9.1188 9.1188 9.2644 9.2644 k = 0.3000-0.0000 1.2125 ( 41806 PWs) bands (ev): -47.3359 -47.3359 -47.3358 -47.3358 -47.3357 -47.3357 -47.3357 -47.3357 -47.2926 -47.2926 -47.2926 -47.2926 -47.2924 -47.2924 -47.2923 -47.2923 -19.3781 -19.3781 -19.3781 -19.3781 -19.3765 -19.3765 -19.3765 -19.3765 -19.3388 -19.3388 -19.3388 -19.3388 -19.3370 -19.3370 -19.3370 -19.3370 -19.2069 -19.2069 -19.2069 -19.2069 -19.2063 -19.2063 -19.2063 -19.2063 -19.1884 -19.1884 -19.1883 -19.1883 -19.1864 -19.1864 -19.1864 -19.1864 -19.1685 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2.5370 2.5370 2.5711 2.5711 2.6205 2.6205 2.6394 2.6394 2.8232 2.8232 2.9421 2.9421 2.9993 2.9993 3.0704 3.0704 3.0774 3.0774 3.1114 3.1114 3.1591 3.1591 3.2611 3.2611 3.3064 3.3064 3.3520 3.3520 3.4448 3.4448 5.5602 5.5602 5.7614 5.7614 5.9990 5.9990 6.0734 6.0734 7.2187 7.2187 7.4045 7.4045 7.5664 7.5664 7.6480 7.6480 8.1517 8.1517 8.2098 8.2098 8.2416 8.2416 8.2880 8.2880 8.3953 8.3953 8.4351 8.4351 8.6816 8.6816 8.7481 8.7481 8.9198 8.9198 8.9416 8.9416 9.1296 9.1296 9.2592 9.2592 k = 0.3500-0.0000 1.2125 ( 41812 PWs) bands (ev): -47.3359 -47.3359 -47.3358 -47.3358 -47.3357 -47.3357 -47.3357 -47.3357 -47.2926 -47.2926 -47.2926 -47.2926 -47.2924 -47.2924 -47.2924 -47.2924 -19.3781 -19.3781 -19.3781 -19.3781 -19.3765 -19.3765 -19.3765 -19.3765 -19.3389 -19.3389 -19.3388 -19.3388 -19.3370 -19.3370 -19.3370 -19.3370 -19.2069 -19.2069 -19.2069 -19.2069 -19.2063 -19.2063 -19.2063 -19.2063 -19.1884 -19.1884 -19.1883 -19.1883 -19.1864 -19.1864 -19.1864 -19.1864 -19.1685 -19.1685 -19.1685 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2.5737 2.6053 2.6053 2.6590 2.6590 2.8038 2.8038 2.9491 2.9491 2.9946 2.9946 3.0724 3.0724 3.0784 3.0784 3.1098 3.1098 3.1517 3.1517 3.2694 3.2694 3.3039 3.3039 3.3613 3.3613 3.4342 3.4342 5.5855 5.5855 5.7386 5.7386 6.0150 6.0150 6.0709 6.0709 7.2431 7.2431 7.3891 7.3891 7.5508 7.5508 7.6122 7.6122 8.1721 8.1721 8.2097 8.2097 8.2479 8.2479 8.2821 8.2821 8.3931 8.3931 8.4351 8.4351 8.6840 8.6840 8.7591 8.7591 8.9156 8.9156 8.9666 8.9666 9.1203 9.1203 9.2800 9.2800 k = 0.4000-0.0000 1.2125 ( 41828 PWs) bands (ev): -47.3359 -47.3359 -47.3358 -47.3358 -47.3357 -47.3357 -47.3357 -47.3357 -47.2926 -47.2926 -47.2926 -47.2926 -47.2924 -47.2924 -47.2924 -47.2924 -19.3781 -19.3781 -19.3781 -19.3781 -19.3765 -19.3765 -19.3765 -19.3765 -19.3389 -19.3389 -19.3389 -19.3389 -19.3370 -19.3370 -19.3370 -19.3370 -19.2069 -19.2069 -19.2069 -19.2069 -19.2063 -19.2063 -19.2063 -19.2063 -19.1884 -19.1884 -19.1884 -19.1884 -19.1864 -19.1864 -19.1864 -19.1864 -19.1685 -19.1685 -19.1685 -19.1685 -19.1659 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2.6825 2.6825 2.7816 2.7816 2.9568 2.9568 2.9884 2.9884 3.0740 3.0740 3.0789 3.0789 3.1120 3.1120 3.1435 3.1435 3.2771 3.2771 3.3004 3.3004 3.3722 3.3722 3.4225 3.4225 5.6118 5.6118 5.7149 5.7149 6.0294 6.0294 6.0667 6.0667 7.2693 7.2693 7.3703 7.3703 7.5416 7.5416 7.5823 7.5823 8.1864 8.1864 8.2090 8.2090 8.2523 8.2523 8.2743 8.2743 8.3977 8.3977 8.4307 8.4307 8.6955 8.6955 8.7664 8.7664 8.9064 8.9064 8.9867 8.9867 9.1178 9.1178 9.2912 9.2912 k = 0.4500-0.0000 1.2125 ( 41836 PWs) bands (ev): -47.3359 -47.3359 -47.3358 -47.3358 -47.3357 -47.3357 -47.3357 -47.3357 -47.2926 -47.2926 -47.2926 -47.2926 -47.2924 -47.2924 -47.2924 -47.2924 -19.3781 -19.3781 -19.3781 -19.3781 -19.3765 -19.3765 -19.3765 -19.3765 -19.3389 -19.3389 -19.3389 -19.3389 -19.3370 -19.3370 -19.3370 -19.3370 -19.2069 -19.2069 -19.2069 -19.2069 -19.2064 -19.2064 -19.2063 -19.2063 -19.1884 -19.1884 -19.1884 -19.1884 -19.1864 -19.1864 -19.1864 -19.1864 -19.1685 -19.1685 -19.1685 -19.1685 -19.1659 -19.1659 -19.1659 -19.1659 -19.1499 -19.1499 -19.1499 -19.1499 -19.1492 -19.1492 -19.1491 -19.1491 -18.1504 -18.1504 -18.1504 -18.1504 -18.1399 -18.1399 -18.1398 -18.1398 -18.1187 -18.1187 -18.1187 -18.1187 -18.1142 -18.1142 -18.1142 -18.1142 -17.1453 -17.1453 -17.1453 -17.1453 -17.1278 -17.1278 -17.1278 -17.1278 -17.0944 -17.0944 -17.0944 -17.0944 -17.0885 -17.0885 -17.0885 -17.0885 -17.0769 -17.0769 -17.0769 -17.0769 -17.0712 -17.0712 -17.0711 -17.0711 -9.3133 -9.3133 -9.3079 -9.3079 -8.2485 -8.2485 -8.2351 -8.2351 -7.9954 -7.9954 -7.9926 -7.9926 -7.8030 -7.8030 -7.7988 -7.7988 -7.6537 -7.6537 -7.6492 -7.6492 -7.6164 -7.6164 -7.6085 -7.6085 -3.1692 -3.1692 -3.1561 -3.1561 -1.8358 -1.8358 -1.8355 -1.8355 -0.2035 -0.2035 -0.2020 -0.2020 -0.0125 -0.0125 -0.0021 -0.0021 0.7313 0.7313 0.7364 0.7364 1.0750 1.0750 1.1158 1.1158 1.2515 1.2515 1.2838 1.2838 1.5008 1.5008 1.5048 1.5048 1.9744 1.9744 1.9841 1.9841 2.2056 2.2056 2.2522 2.2522 2.4505 2.4505 2.4986 2.4986 2.5781 2.5781 2.5856 2.5856 2.7074 2.7074 2.7577 2.7577 2.9648 2.9648 2.9810 2.9810 3.0755 3.0755 3.0783 3.0783 3.1178 3.1178 3.1346 3.1346 3.2842 3.2842 3.2958 3.2958 3.3844 3.3844 3.4100 3.4100 5.6383 5.6383 5.6902 5.6902 6.0419 6.0419 6.0606 6.0606 7.2964 7.2964 7.3481 7.3481 7.5397 7.5397 7.5599 7.5599 8.1965 8.1965 8.2071 8.2071 8.2555 8.2555 8.2663 8.2663 8.4060 8.4060 8.4236 8.4236 8.7147 8.7147 8.7586 8.7586 8.9173 8.9173 8.9737 8.9737 9.1451 9.1451 9.2435 9.2435 k = 0.5000-0.0000 1.2125 ( 41836 PWs) bands (ev): -47.3359 -47.3359 -47.3359 -47.3359 -47.3357 -47.3357 -47.3357 -47.3357 -47.2926 -47.2926 -47.2926 -47.2926 -47.2924 -47.2924 -47.2924 -47.2924 -19.3781 -19.3781 -19.3781 -19.3781 -19.3765 -19.3765 -19.3765 -19.3765 -19.3389 -19.3389 -19.3389 -19.3389 -19.3370 -19.3370 -19.3370 -19.3370 -19.2069 -19.2069 -19.2069 -19.2069 -19.2063 -19.2063 -19.2063 -19.2063 -19.1884 -19.1884 -19.1884 -19.1884 -19.1864 -19.1864 -19.1864 -19.1864 -19.1685 -19.1685 -19.1685 -19.1685 -19.1659 -19.1659 -19.1659 -19.1659 -19.1499 -19.1499 -19.1499 -19.1499 -19.1492 -19.1492 -19.1492 -19.1492 -18.1504 -18.1504 -18.1504 -18.1504 -18.1399 -18.1399 -18.1399 -18.1399 -18.1187 -18.1187 -18.1187 -18.1187 -18.1142 -18.1142 -18.1142 -18.1142 -17.1453 -17.1453 -17.1453 -17.1453 -17.1278 -17.1278 -17.1278 -17.1278 -17.0944 -17.0944 -17.0944 -17.0944 -17.0885 -17.0885 -17.0885 -17.0885 -17.0769 -17.0769 -17.0769 -17.0769 -17.0711 -17.0711 -17.0711 -17.0711 -9.3106 -9.3106 -9.3106 -9.3106 -8.2418 -8.2418 -8.2418 -8.2418 -7.9941 -7.9941 -7.9941 -7.9941 -7.8009 -7.8009 -7.8009 -7.8009 -7.6514 -7.6514 -7.6514 -7.6514 -7.6124 -7.6124 -7.6124 -7.6124 -3.1627 -3.1627 -3.1627 -3.1627 -1.8356 -1.8356 -1.8356 -1.8356 -0.2033 -0.2033 -0.2033 -0.2033 -0.0066 -0.0066 -0.0066 -0.0066 0.7330 0.7330 0.7330 0.7330 1.0950 1.0950 1.0950 1.0950 1.2683 1.2683 1.2683 1.2683 1.5029 1.5029 1.5029 1.5029 1.9801 1.9801 1.9801 1.9801 2.2281 2.2281 2.2281 2.2281 2.4748 2.4748 2.4748 2.4748 2.5811 2.5811 2.5811 2.5811 2.7327 2.7327 2.7327 2.7327 2.9730 2.9730 2.9730 2.9730 3.0770 3.0770 3.0770 3.0770 3.1258 3.1258 3.1258 3.1258 3.2904 3.2904 3.2904 3.2904 3.3971 3.3971 3.3971 3.3971 5.6646 5.6646 5.6646 5.6646 6.0523 6.0523 6.0523 6.0523 7.3231 7.3231 7.3231 7.3231 7.5457 7.5457 7.5457 7.5457 8.2032 8.2032 8.2032 8.2032 8.2598 8.2598 8.2598 8.2598 8.4151 8.4151 8.4151 8.4151 8.7381 8.7381 8.7381 8.7381 8.9443 8.9443 8.9443 8.9443 9.1912 9.1912 9.1912 9.1912 Writing output data file Na2SnSe3.save init_run : 3.56s CPU 2.83s WALL ( 1 calls) electrons : 3266.98s CPU 3040.07s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.18s CPU 0.37s WALL ( 1 calls) Called by electrons: c_bands : 3266.96s CPU 3040.05s WALL ( 1 calls) v_of_rho : 0.08s CPU 0.04s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.07s CPU 0.04s WALL ( 1 calls) newd : 0.68s CPU 0.42s WALL ( 1 calls) Called by c_bands: init_us_2 : 1.64s CPU 1.20s WALL ( 183 calls) cegterg : 3007.73s CPU 2820.10s WALL ( 196 calls) Called by sum_band: Called by *egterg: h_psi : 1292.11s CPU 1021.57s WALL ( 3899 calls) s_psi : 155.56s CPU 155.07s WALL ( 3899 calls) g_psi : 9.10s CPU 9.07s WALL ( 3520 calls) cdiaghg : 866.83s CPU 879.77s WALL ( 3703 calls) cegterg:over : 343.31s CPU 342.81s WALL ( 3520 calls) cegterg:upda : 282.88s CPU 303.00s WALL ( 3520 calls) cegterg:last : 198.60s CPU 198.70s WALL ( 562 calls) cdiaghg:chol : 59.71s CPU 60.86s WALL ( 3703 calls) cdiaghg:inve : 46.50s CPU 47.48s WALL ( 3703 calls) cdiaghg:para : 98.12s CPU 98.50s WALL ( 7406 calls) Called by h_psi: h_psi:vloc : 981.66s CPU 711.25s WALL ( 3899 calls) h_psi:vnl : 294.72s CPU 295.03s WALL ( 3899 calls) add_vuspsi : 142.22s CPU 142.56s WALL ( 3899 calls) General routines calbec : 152.46s CPU 152.45s WALL ( 3899 calls) fft : 0.13s CPU 0.07s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 899.96s CPU 629.95s WALL ( 1865616 calls) interpolate : 0.04s CPU 0.02s WALL ( 4 calls) davcio : 3.36s CPU 173.84s WALL ( 366 calls) Parallel routines fft_scatter : 327.63s CPU 313.43s WALL ( 1865639 calls) PWSCF : 1h12m CPU 1h15m WALL This run was terminated on: 2:59:52 4Aug2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=