Program PWSCF v.5.3.0 (svn rev. 11974) starts on 1Feb2017 at 2:12:35 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./SbI3.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 75 46 12 3973 1887 272 Max 76 47 13 3978 1915 280 Sum 5463 3327 913 286265 137009 19869 bravais-lattice index = 14 lattice parameter (alat) = 20.6018 a.u. unit-cell volume = 4505.0662 (a.u.)^3 number of atoms/cell = 16 number of atomic types = 2 number of electrons = 104.00 number of Kohn-Sham states= 124 kinetic-energy cutoff = 37.0000 Ry charge density cutoff = 242.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 20.601793 celldm(2)= 0.667859 celldm(3)= 0.820583 celldm(4)= 0.340872 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 0.667859 0.000000 ) a(3) = ( 0.000000 0.279714 0.771438 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.497322 -0.542910 ) b(3) = ( 0.000000 0.000000 1.296280 ) PseudoPot. # 1 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 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 I read from file: /users/gautes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1247 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Sb 5.00 121.76000 Sb( 1.00) I 7.00 126.90450 I( 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 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.1398569 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.3857192 ) 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 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.1398569 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.3857192 ) 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= 172 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0058140 k( 2) = ( 0.0000000 0.0000000 0.0341126), wk = 0.0058140 k( 3) = ( 0.0000000 0.0000000 0.0682252), wk = 0.0058140 k( 4) = ( 0.0000000 0.0000000 0.1023379), wk = 0.0058140 k( 5) = ( 0.0000000 0.0000000 0.1364505), wk = 0.0058140 k( 6) = ( 0.0000000 0.0000000 0.1705631), wk = 0.0058140 k( 7) = ( 0.0000000 0.0000000 0.2046757), wk = 0.0058140 k( 8) = ( 0.0000000 0.0000000 0.2387884), wk = 0.0058140 k( 9) = ( 0.0000000 0.0000000 0.2729010), wk = 0.0058140 k( 10) = ( 0.0000000 0.0000000 0.3070136), wk = 0.0058140 k( 11) = ( 0.0000000 0.0000000 0.3411262), wk = 0.0058140 k( 12) = ( 0.0000000 0.0000000 0.3752389), wk = 0.0058140 k( 13) = ( 0.0000000 0.0000000 0.4093515), wk = 0.0058140 k( 14) = ( 0.0000000 0.0000000 0.4434641), wk = 0.0058140 k( 15) = ( 0.0000000 0.0000000 0.4775767), wk = 0.0058140 k( 16) = ( 0.0000000 0.0000000 0.5116893), wk = 0.0058140 k( 17) = ( 0.0000000 0.0000000 0.5458020), wk = 0.0058140 k( 18) = ( 0.0000000 0.0000000 0.5799146), wk = 0.0058140 k( 19) = ( 0.0000000 0.0000000 0.6140272), wk = 0.0058140 k( 20) = ( 0.0000000 0.0000000 0.6481398), wk = 0.0058140 k( 21) = ( 0.0000000 0.0000000 0.6481398), wk = 0.0058140 k( 22) = ( 0.0000000 0.0340044 0.6481398), wk = 0.0058140 k( 23) = ( 0.0000000 0.0680089 0.6481398), wk = 0.0058140 k( 24) = ( 0.0000000 0.1020133 0.6481398), wk = 0.0058140 k( 25) = ( 0.0000000 0.1360177 0.6481398), wk = 0.0058140 k( 26) = ( 0.0000000 0.1700221 0.6481398), wk = 0.0058140 k( 27) = ( 0.0000000 0.2040266 0.6481398), wk = 0.0058140 k( 28) = ( 0.0000000 0.2380310 0.6481398), wk = 0.0058140 k( 29) = ( 0.0000000 0.2720354 0.6481398), wk = 0.0058140 k( 30) = ( 0.0000000 0.3060399 0.6481398), wk = 0.0058140 k( 31) = ( 0.0000000 0.3400443 0.6481398), wk = 0.0058140 k( 32) = ( 0.0000000 0.3740487 0.6481398), wk = 0.0058140 k( 33) = ( 0.0000000 0.4080532 0.6481398), wk = 0.0058140 k( 34) = ( 0.0000000 0.4420576 0.6481398), wk = 0.0058140 k( 35) = ( 0.0000000 0.4760620 0.6481398), wk = 0.0058140 k( 36) = ( 0.0000000 0.5100664 0.6481398), wk = 0.0058140 k( 37) = ( 0.0000000 0.5440709 0.6481398), wk = 0.0058140 k( 38) = ( 0.0000000 0.5780753 0.6481398), wk = 0.0058140 k( 39) = ( 0.0000000 0.6120797 0.6481398), wk = 0.0058140 k( 40) = ( 0.0000000 0.6120797 0.6481398), wk = 0.0058140 k( 41) = ( 0.0000000 0.6272554 0.6179782), wk = 0.0058140 k( 42) = ( 0.0000000 0.6424311 0.5878165), wk = 0.0058140 k( 43) = ( 0.0000000 0.6576068 0.5576549), wk = 0.0058140 k( 44) = ( 0.0000000 0.6727825 0.5274932), wk = 0.0058140 k( 45) = ( 0.0000000 0.6879582 0.4973316), wk = 0.0058140 k( 46) = ( 0.0000000 0.7031338 0.4671699), wk = 0.0058140 k( 47) = ( 0.0000000 0.7183095 0.4370082), wk = 0.0058140 k( 48) = ( 0.0000000 0.7334852 0.4068466), wk = 0.0058140 k( 49) = ( 0.0000000 0.7486609 0.3766849), wk = 0.0058140 k( 50) = ( 0.0000000 0.7486609 0.3766849), wk = 0.0058140 k( 51) = ( 0.0333333 0.7486609 0.3766849), wk = 0.0058140 k( 52) = ( 0.0666667 0.7486609 0.3766849), wk = 0.0058140 k( 53) = ( 0.1000000 0.7486609 0.3766849), wk = 0.0058140 k( 54) = ( 0.1333333 0.7486609 0.3766849), wk = 0.0058140 k( 55) = ( 0.1666667 0.7486609 0.3766849), wk = 0.0058140 k( 56) = ( 0.2000000 0.7486609 0.3766849), wk = 0.0058140 k( 57) = ( 0.2333333 0.7486609 0.3766849), wk = 0.0058140 k( 58) = ( 0.2666667 0.7486609 0.3766849), wk = 0.0058140 k( 59) = ( 0.3000000 0.7486609 0.3766849), wk = 0.0058140 k( 60) = ( 0.3333333 0.7486609 0.3766849), wk = 0.0058140 k( 61) = ( 0.3666667 0.7486609 0.3766849), wk = 0.0058140 k( 62) = ( 0.4000000 0.7486609 0.3766849), wk = 0.0058140 k( 63) = ( 0.4333333 0.7486609 0.3766849), wk = 0.0058140 k( 64) = ( 0.4666667 0.7486609 0.3766849), wk = 0.0058140 k( 65) = ( 0.5000000 0.7486609 0.3766849), wk = 0.0058140 k( 66) = ( 0.5000000 0.7486609 0.3766849), wk = 0.0058140 k( 67) = ( 0.5000000 0.7638366 0.3465233), wk = 0.0058140 k( 68) = ( 0.5000000 0.7790123 0.3163616), wk = 0.0058140 k( 69) = ( 0.5000000 0.7941880 0.2862000), wk = 0.0058140 k( 70) = ( 0.5000000 0.8093636 0.2560383), wk = 0.0058140 k( 71) = ( 0.5000000 0.8245393 0.2258766), wk = 0.0058140 k( 72) = ( 0.5000000 0.8397150 0.1957150), wk = 0.0058140 k( 73) = ( 0.5000000 0.8548907 0.1655533), wk = 0.0058140 k( 74) = ( 0.5000000 0.8700664 0.1353917), wk = 0.0058140 k( 75) = ( 0.5000000 0.8852421 0.1052300), wk = 0.0058140 k( 76) = ( 0.5000000 0.8852421 0.1052300), wk = 0.0058140 k( 77) = ( 0.5000000 0.8738603 0.0738396), wk = 0.0058140 k( 78) = ( 0.5000000 0.8624785 0.0424492), wk = 0.0058140 k( 79) = ( 0.5000000 0.8510968 0.0110588), wk = 0.0058140 k( 80) = ( 0.5000000 0.8397150 -0.0203316), wk = 0.0058140 k( 81) = ( 0.5000000 0.8283332 -0.0517220), wk = 0.0058140 k( 82) = ( 0.5000000 0.8169515 -0.0831124), wk = 0.0058140 k( 83) = ( 0.5000000 0.8055697 -0.1145029), wk = 0.0058140 k( 84) = ( 0.5000000 0.7941880 -0.1458933), wk = 0.0058140 k( 85) = ( 0.5000000 0.7828062 -0.1772837), wk = 0.0058140 k( 86) = ( 0.5000000 0.7714244 -0.2086741), wk = 0.0058140 k( 87) = ( 0.5000000 0.7600427 -0.2400645), wk = 0.0058140 k( 88) = ( 0.5000000 0.7486609 -0.2714549), wk = 0.0058140 k( 89) = ( 0.5000000 0.7486609 -0.2714549), wk = 0.0058140 k( 90) = ( 0.4666667 0.7486609 -0.2714549), wk = 0.0058140 k( 91) = ( 0.4333333 0.7486609 -0.2714549), wk = 0.0058140 k( 92) = ( 0.4000000 0.7486609 -0.2714549), wk = 0.0058140 k( 93) = ( 0.3666667 0.7486609 -0.2714549), wk = 0.0058140 k( 94) = ( 0.3333333 0.7486609 -0.2714549), wk = 0.0058140 k( 95) = ( 0.3000000 0.7486609 -0.2714549), wk = 0.0058140 k( 96) = ( 0.2666667 0.7486609 -0.2714549), wk = 0.0058140 k( 97) = ( 0.2333333 0.7486609 -0.2714549), wk = 0.0058140 k( 98) = ( 0.2000000 0.7486609 -0.2714549), wk = 0.0058140 k( 99) = ( 0.1666667 0.7486609 -0.2714549), wk = 0.0058140 k( 100) = ( 0.1333333 0.7486609 -0.2714549), wk = 0.0058140 k( 101) = ( 0.1000000 0.7486609 -0.2714549), wk = 0.0058140 k( 102) = ( 0.0666667 0.7486609 -0.2714549), wk = 0.0058140 k( 103) = ( 0.0333333 0.7486609 -0.2714549), wk = 0.0058140 k( 104) = ( 0.0000000 0.7486609 -0.2714549), wk = 0.0058140 k( 105) = ( 0.0000000 0.7486609 -0.2714549), wk = 0.0058140 k( 106) = ( 0.0000000 0.7600427 -0.2400645), wk = 0.0058140 k( 107) = ( 0.0000000 0.7714244 -0.2086741), wk = 0.0058140 k( 108) = ( 0.0000000 0.7828062 -0.1772837), wk = 0.0058140 k( 109) = ( 0.0000000 0.7941880 -0.1458933), wk = 0.0058140 k( 110) = ( 0.0000000 0.8055697 -0.1145029), wk = 0.0058140 k( 111) = ( 0.0000000 0.8169515 -0.0831124), wk = 0.0058140 k( 112) = ( 0.0000000 0.8283332 -0.0517220), wk = 0.0058140 k( 113) = ( 0.0000000 0.8397150 -0.0203316), wk = 0.0058140 k( 114) = ( 0.0000000 0.8510968 0.0110588), wk = 0.0058140 k( 115) = ( 0.0000000 0.8624785 0.0424492), wk = 0.0058140 k( 116) = ( 0.0000000 0.8738603 0.0738396), wk = 0.0058140 k( 117) = ( 0.0000000 0.8852421 0.1052300), wk = 0.0058140 k( 118) = ( 0.5000000 0.6120797 0.6481398), wk = 0.0058140 k( 119) = ( 0.5000000 0.5780753 0.6481398), wk = 0.0058140 k( 120) = ( 0.5000000 0.5440709 0.6481398), wk = 0.0058140 k( 121) = ( 0.5000000 0.5100664 0.6481398), wk = 0.0058140 k( 122) = ( 0.5000000 0.4760620 0.6481398), wk = 0.0058140 k( 123) = ( 0.5000000 0.4420576 0.6481398), wk = 0.0058140 k( 124) = ( 0.5000000 0.4080532 0.6481398), wk = 0.0058140 k( 125) = ( 0.5000000 0.3740487 0.6481398), wk = 0.0058140 k( 126) = ( 0.5000000 0.3400443 0.6481398), wk = 0.0058140 k( 127) = ( 0.5000000 0.3060399 0.6481398), wk = 0.0058140 k( 128) = ( 0.5000000 0.2720354 0.6481398), wk = 0.0058140 k( 129) = ( 0.5000000 0.2380310 0.6481398), wk = 0.0058140 k( 130) = ( 0.5000000 0.2040266 0.6481398), wk = 0.0058140 k( 131) = ( 0.5000000 0.1700221 0.6481398), wk = 0.0058140 k( 132) = ( 0.5000000 0.1360177 0.6481398), wk = 0.0058140 k( 133) = ( 0.5000000 0.1020133 0.6481398), wk = 0.0058140 k( 134) = ( 0.5000000 0.0680089 0.6481398), wk = 0.0058140 k( 135) = ( 0.5000000 0.0340044 0.6481398), wk = 0.0058140 k( 136) = ( 0.5000000 -0.0000000 0.6481398), wk = 0.0058140 k( 137) = ( 0.5000000 -0.0000000 0.6481398), wk = 0.0058140 k( 138) = ( 0.5000000 -0.0000000 0.6140272), wk = 0.0058140 k( 139) = ( 0.5000000 -0.0000000 0.5799146), wk = 0.0058140 k( 140) = ( 0.5000000 -0.0000000 0.5458020), wk = 0.0058140 k( 141) = ( 0.5000000 -0.0000000 0.5116893), wk = 0.0058140 k( 142) = ( 0.5000000 -0.0000000 0.4775767), wk = 0.0058140 k( 143) = ( 0.5000000 -0.0000000 0.4434641), wk = 0.0058140 k( 144) = ( 0.5000000 -0.0000000 0.4093515), wk = 0.0058140 k( 145) = ( 0.5000000 -0.0000000 0.3752389), wk = 0.0058140 k( 146) = ( 0.5000000 -0.0000000 0.3411262), wk = 0.0058140 k( 147) = ( 0.5000000 -0.0000000 0.3070136), wk = 0.0058140 k( 148) = ( 0.5000000 -0.0000000 0.2729010), wk = 0.0058140 k( 149) = ( 0.5000000 -0.0000000 0.2387884), wk = 0.0058140 k( 150) = ( 0.5000000 -0.0000000 0.2046757), wk = 0.0058140 k( 151) = ( 0.5000000 -0.0000000 0.1705631), wk = 0.0058140 k( 152) = ( 0.5000000 -0.0000000 0.1364505), wk = 0.0058140 k( 153) = ( 0.5000000 -0.0000000 0.1023379), wk = 0.0058140 k( 154) = ( 0.5000000 -0.0000000 0.0682252), wk = 0.0058140 k( 155) = ( 0.5000000 -0.0000000 0.0341126), wk = 0.0058140 k( 156) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0058140 k( 157) = ( 0.0000000 0.0000000 0.6481398), wk = 0.0058140 k( 158) = ( 0.0333333 -0.0000000 0.6481398), wk = 0.0058140 k( 159) = ( 0.0666667 -0.0000000 0.6481398), wk = 0.0058140 k( 160) = ( 0.1000000 -0.0000000 0.6481398), wk = 0.0058140 k( 161) = ( 0.1333333 -0.0000000 0.6481398), wk = 0.0058140 k( 162) = ( 0.1666667 -0.0000000 0.6481398), wk = 0.0058140 k( 163) = ( 0.2000000 -0.0000000 0.6481398), wk = 0.0058140 k( 164) = ( 0.2333333 -0.0000000 0.6481398), wk = 0.0058140 k( 165) = ( 0.2666667 -0.0000000 0.6481398), wk = 0.0058140 k( 166) = ( 0.3000000 -0.0000000 0.6481398), wk = 0.0058140 k( 167) = ( 0.3333333 -0.0000000 0.6481398), wk = 0.0058140 k( 168) = ( 0.3666667 -0.0000000 0.6481398), wk = 0.0058140 k( 169) = ( 0.4000000 -0.0000000 0.6481398), wk = 0.0058140 k( 170) = ( 0.4333333 -0.0000000 0.6481398), wk = 0.0058140 k( 171) = ( 0.4666667 -0.0000000 0.6481398), wk = 0.0058140 k( 172) = ( 0.5000000 -0.0000000 0.6481398), wk = 0.0058140 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0058140 k( 2) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0058140 k( 3) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0058140 k( 4) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0058140 k( 5) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0058140 k( 6) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0058140 k( 7) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0058140 k( 8) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0058140 k( 9) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0058140 k( 10) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0058140 k( 11) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0058140 k( 12) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0058140 k( 13) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0058140 k( 14) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0058140 k( 15) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0058140 k( 16) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0058140 k( 17) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0058140 k( 18) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0058140 k( 19) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0058140 k( 20) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0058140 k( 21) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0058140 k( 22) = ( 0.0000000 0.0227102 0.5095115), wk = 0.0058140 k( 23) = ( 0.0000000 0.0454203 0.5190230), wk = 0.0058140 k( 24) = ( 0.0000000 0.0681305 0.5285345), wk = 0.0058140 k( 25) = ( 0.0000000 0.0908407 0.5380460), wk = 0.0058140 k( 26) = ( 0.0000000 0.1135508 0.5475575), wk = 0.0058140 k( 27) = ( 0.0000000 0.1362610 0.5570690), wk = 0.0058140 k( 28) = ( 0.0000000 0.1589712 0.5665805), wk = 0.0058140 k( 29) = ( 0.0000000 0.1816813 0.5760921), wk = 0.0058140 k( 30) = ( 0.0000000 0.2043915 0.5856036), wk = 0.0058140 k( 31) = ( 0.0000000 0.2271017 0.5951151), wk = 0.0058140 k( 32) = ( 0.0000000 0.2498119 0.6046266), wk = 0.0058140 k( 33) = ( 0.0000000 0.2725220 0.6141381), wk = 0.0058140 k( 34) = ( 0.0000000 0.2952322 0.6236496), wk = 0.0058140 k( 35) = ( 0.0000000 0.3179423 0.6331611), wk = 0.0058140 k( 36) = ( 0.0000000 0.3406525 0.6426726), wk = 0.0058140 k( 37) = ( 0.0000000 0.3633627 0.6521841), wk = 0.0058140 k( 38) = ( 0.0000000 0.3860729 0.6616956), wk = 0.0058140 k( 39) = ( 0.0000000 0.4087830 0.6712071), wk = 0.0058140 k( 40) = ( 0.0000000 0.4087830 0.6712071), wk = 0.0058140 k( 41) = ( 0.0000000 0.4189183 0.6521841), wk = 0.0058140 k( 42) = ( 0.0000000 0.4290535 0.6331611), wk = 0.0058140 k( 43) = ( 0.0000000 0.4391887 0.6141381), wk = 0.0058140 k( 44) = ( 0.0000000 0.4493239 0.5951151), wk = 0.0058140 k( 45) = ( 0.0000000 0.4594591 0.5760921), wk = 0.0058140 k( 46) = ( 0.0000000 0.4695943 0.5570690), wk = 0.0058140 k( 47) = ( 0.0000000 0.4797296 0.5380460), wk = 0.0058140 k( 48) = ( 0.0000000 0.4898648 0.5190230), wk = 0.0058140 k( 49) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0058140 k( 50) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0058140 k( 51) = ( 0.0333333 0.5000000 0.5000000), wk = 0.0058140 k( 52) = ( 0.0666667 0.5000000 0.5000000), wk = 0.0058140 k( 53) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0058140 k( 54) = ( 0.1333333 0.5000000 0.5000000), wk = 0.0058140 k( 55) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0058140 k( 56) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0058140 k( 57) = ( 0.2333333 0.5000000 0.5000000), wk = 0.0058140 k( 58) = ( 0.2666667 0.5000000 0.5000000), wk = 0.0058140 k( 59) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0058140 k( 60) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0058140 k( 61) = ( 0.3666667 0.5000000 0.5000000), wk = 0.0058140 k( 62) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0058140 k( 63) = ( 0.4333333 0.5000000 0.5000000), wk = 0.0058140 k( 64) = ( 0.4666667 0.5000000 0.5000000), wk = 0.0058140 k( 65) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0058140 k( 66) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0058140 k( 67) = ( 0.5000000 0.5101352 0.4809770), wk = 0.0058140 k( 68) = ( 0.5000000 0.5202704 0.4619540), wk = 0.0058140 k( 69) = ( 0.5000000 0.5304057 0.4429310), wk = 0.0058140 k( 70) = ( 0.5000000 0.5405409 0.4239079), wk = 0.0058140 k( 71) = ( 0.5000000 0.5506761 0.4048849), wk = 0.0058140 k( 72) = ( 0.5000000 0.5608113 0.3858619), wk = 0.0058140 k( 73) = ( 0.5000000 0.5709465 0.3668389), wk = 0.0058140 k( 74) = ( 0.5000000 0.5810817 0.3478159), wk = 0.0058140 k( 75) = ( 0.5000000 0.5912170 0.3287929), wk = 0.0058140 k( 76) = ( 0.5000000 0.5912170 0.3287929), wk = 0.0058140 k( 77) = ( 0.5000000 0.5836156 0.3013935), wk = 0.0058140 k( 78) = ( 0.5000000 0.5760141 0.2739941), wk = 0.0058140 k( 79) = ( 0.5000000 0.5684127 0.2465946), wk = 0.0058140 k( 80) = ( 0.5000000 0.5608113 0.2191952), wk = 0.0058140 k( 81) = ( 0.5000000 0.5532099 0.1917958), wk = 0.0058140 k( 82) = ( 0.5000000 0.5456085 0.1643964), wk = 0.0058140 k( 83) = ( 0.5000000 0.5380071 0.1369970), wk = 0.0058140 k( 84) = ( 0.5000000 0.5304057 0.1095976), wk = 0.0058140 k( 85) = ( 0.5000000 0.5228042 0.0821982), wk = 0.0058140 k( 86) = ( 0.5000000 0.5152028 0.0547988), wk = 0.0058140 k( 87) = ( 0.5000000 0.5076014 0.0273994), wk = 0.0058140 k( 88) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0058140 k( 89) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0058140 k( 90) = ( 0.4666667 0.5000000 -0.0000000), wk = 0.0058140 k( 91) = ( 0.4333333 0.5000000 -0.0000000), wk = 0.0058140 k( 92) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0058140 k( 93) = ( 0.3666667 0.5000000 0.0000000), wk = 0.0058140 k( 94) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0058140 k( 95) = ( 0.3000000 0.5000000 0.0000000), wk = 0.0058140 k( 96) = ( 0.2666667 0.5000000 0.0000000), wk = 0.0058140 k( 97) = ( 0.2333333 0.5000000 0.0000000), wk = 0.0058140 k( 98) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0058140 k( 99) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0058140 k( 100) = ( 0.1333333 0.5000000 -0.0000000), wk = 0.0058140 k( 101) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0058140 k( 102) = ( 0.0666667 0.5000000 -0.0000000), wk = 0.0058140 k( 103) = ( 0.0333333 0.5000000 -0.0000000), wk = 0.0058140 k( 104) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0058140 k( 105) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0058140 k( 106) = ( 0.0000000 0.5076014 0.0273994), wk = 0.0058140 k( 107) = ( 0.0000000 0.5152028 0.0547988), wk = 0.0058140 k( 108) = ( 0.0000000 0.5228042 0.0821982), wk = 0.0058140 k( 109) = ( 0.0000000 0.5304057 0.1095976), wk = 0.0058140 k( 110) = ( 0.0000000 0.5380071 0.1369970), wk = 0.0058140 k( 111) = ( 0.0000000 0.5456085 0.1643964), wk = 0.0058140 k( 112) = ( 0.0000000 0.5532099 0.1917958), wk = 0.0058140 k( 113) = ( 0.0000000 0.5608113 0.2191952), wk = 0.0058140 k( 114) = ( 0.0000000 0.5684127 0.2465946), wk = 0.0058140 k( 115) = ( 0.0000000 0.5760141 0.2739941), wk = 0.0058140 k( 116) = ( 0.0000000 0.5836156 0.3013935), wk = 0.0058140 k( 117) = ( 0.0000000 0.5912170 0.3287929), wk = 0.0058140 k( 118) = ( 0.5000000 0.4087830 0.6712071), wk = 0.0058140 k( 119) = ( 0.5000000 0.3860729 0.6616956), wk = 0.0058140 k( 120) = ( 0.5000000 0.3633627 0.6521841), wk = 0.0058140 k( 121) = ( 0.5000000 0.3406525 0.6426726), wk = 0.0058140 k( 122) = ( 0.5000000 0.3179424 0.6331611), wk = 0.0058140 k( 123) = ( 0.5000000 0.2952322 0.6236496), wk = 0.0058140 k( 124) = ( 0.5000000 0.2725220 0.6141381), wk = 0.0058140 k( 125) = ( 0.5000000 0.2498119 0.6046266), wk = 0.0058140 k( 126) = ( 0.5000000 0.2271017 0.5951151), wk = 0.0058140 k( 127) = ( 0.5000000 0.2043915 0.5856036), wk = 0.0058140 k( 128) = ( 0.5000000 0.1816813 0.5760921), wk = 0.0058140 k( 129) = ( 0.5000000 0.1589712 0.5665805), wk = 0.0058140 k( 130) = ( 0.5000000 0.1362610 0.5570690), wk = 0.0058140 k( 131) = ( 0.5000000 0.1135508 0.5475575), wk = 0.0058140 k( 132) = ( 0.5000000 0.0908407 0.5380460), wk = 0.0058140 k( 133) = ( 0.5000000 0.0681305 0.5285345), wk = 0.0058140 k( 134) = ( 0.5000000 0.0454203 0.5190230), wk = 0.0058140 k( 135) = ( 0.5000000 0.0227102 0.5095115), wk = 0.0058140 k( 136) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0058140 k( 137) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0058140 k( 138) = ( 0.5000000 0.0000000 0.4736842), wk = 0.0058140 k( 139) = ( 0.5000000 0.0000000 0.4473684), wk = 0.0058140 k( 140) = ( 0.5000000 0.0000000 0.4210526), wk = 0.0058140 k( 141) = ( 0.5000000 0.0000000 0.3947368), wk = 0.0058140 k( 142) = ( 0.5000000 0.0000000 0.3684211), wk = 0.0058140 k( 143) = ( 0.5000000 0.0000000 0.3421053), wk = 0.0058140 k( 144) = ( 0.5000000 0.0000000 0.3157895), wk = 0.0058140 k( 145) = ( 0.5000000 0.0000000 0.2894737), wk = 0.0058140 k( 146) = ( 0.5000000 0.0000000 0.2631579), wk = 0.0058140 k( 147) = ( 0.5000000 0.0000000 0.2368421), wk = 0.0058140 k( 148) = ( 0.5000000 0.0000000 0.2105263), wk = 0.0058140 k( 149) = ( 0.5000000 0.0000000 0.1842105), wk = 0.0058140 k( 150) = ( 0.5000000 0.0000000 0.1578947), wk = 0.0058140 k( 151) = ( 0.5000000 0.0000000 0.1315790), wk = 0.0058140 k( 152) = ( 0.5000000 0.0000000 0.1052632), wk = 0.0058140 k( 153) = ( 0.5000000 0.0000000 0.0789474), wk = 0.0058140 k( 154) = ( 0.5000000 0.0000000 0.0526316), wk = 0.0058140 k( 155) = ( 0.5000000 0.0000000 0.0263158), wk = 0.0058140 k( 156) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0058140 k( 157) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0058140 k( 158) = ( 0.0333333 -0.0000000 0.5000000), wk = 0.0058140 k( 159) = ( 0.0666667 -0.0000000 0.5000000), wk = 0.0058140 k( 160) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0058140 k( 161) = ( 0.1333333 0.0000000 0.5000000), wk = 0.0058140 k( 162) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0058140 k( 163) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0058140 k( 164) = ( 0.2333333 -0.0000000 0.5000000), wk = 0.0058140 k( 165) = ( 0.2666667 -0.0000000 0.5000000), wk = 0.0058140 k( 166) = ( 0.3000000 -0.0000000 0.5000000), wk = 0.0058140 k( 167) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0058140 k( 168) = ( 0.3666667 -0.0000000 0.5000000), wk = 0.0058140 k( 169) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0058140 k( 170) = ( 0.4333333 -0.0000000 0.5000000), wk = 0.0058140 k( 171) = ( 0.4666667 -0.0000000 0.5000000), wk = 0.0058140 k( 172) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0058140 Dense grid: 286265 G-vectors FFT dimensions: ( 108, 72, 90) Smooth grid: 137009 G-vectors FFT dimensions: ( 80, 54, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.89 Mb ( 468, 124) NL pseudopotentials 1.94 Mb ( 234, 544) Each V/rho on FFT grid 0.24 Mb ( 15552) Each G-vector array 0.03 Mb ( 3978) G-vector shells 0.03 Mb ( 3939) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 3.54 Mb ( 468, 496) Each subspace H/S matrix 0.10 Mb ( 82, 82) Each matrix 2.06 Mb ( 544, 2, 124) The potential is recalculated from file : ./SbI3.save/charge-density.dat Starting wfc are 128 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.9 secs Computing kpt #: 2 total cpu time spent up to now is 9.4 secs Computing kpt #: 3 total cpu time spent up to now is 12.9 secs Computing kpt #: 4 total cpu time spent up to now is 16.6 secs Computing kpt #: 5 total cpu time spent up to now is 20.2 secs Computing kpt #: 6 total cpu time spent up to now is 23.8 secs Computing kpt #: 7 total cpu time spent up to now is 27.6 secs Computing kpt #: 8 total cpu time spent up to now is 31.3 secs Computing kpt #: 9 total cpu time spent up to now is 35.0 secs Computing kpt #: 10 total cpu time spent up to now is 38.7 secs Computing kpt #: 11 total cpu time spent up to now is 42.2 secs Computing kpt #: 12 total cpu time spent up to now is 45.8 secs Computing kpt #: 13 total cpu time spent up to now is 49.4 secs Computing kpt #: 14 total cpu time spent up to now is 53.0 secs Computing kpt #: 15 total cpu time spent up to now is 56.5 secs Computing kpt #: 16 total cpu time spent up to now is 60.0 secs Computing kpt #: 17 total cpu time spent up to now is 63.5 secs Computing kpt #: 18 total cpu time spent up to now is 67.1 secs Computing kpt #: 19 total cpu time spent up to now is 70.6 secs Computing kpt #: 20 total cpu time spent up to now is 74.2 secs Computing kpt #: 21 total cpu time spent up to now is 77.7 secs Computing kpt #: 22 total cpu time spent up to now is 81.2 secs Computing kpt #: 23 total cpu time spent up to now is 84.9 secs Computing kpt #: 24 total cpu time spent up to now is 88.4 secs Computing kpt #: 25 total cpu time spent up to now is 91.9 secs Computing kpt #: 26 total cpu time spent up to now is 95.5 secs Computing kpt #: 27 total cpu time spent up to now is 99.1 secs Computing kpt #: 28 total cpu time spent up to now is 102.7 secs Computing kpt #: 29 total cpu time spent up to now is 106.3 secs Computing kpt #: 30 total cpu time spent up to now is 109.9 secs Computing kpt #: 31 total cpu time spent up to now is 113.6 secs Computing kpt #: 32 total cpu time spent up to now is 117.3 secs Computing kpt #: 33 total cpu time spent up to now is 120.8 secs Computing kpt #: 34 total cpu time spent up to now is 124.5 secs Computing kpt #: 35 total cpu time spent up to now is 128.1 secs Computing kpt #: 36 total cpu time spent up to now is 131.7 secs Computing kpt #: 37 total cpu time spent up to now is 135.3 secs Computing kpt #: 38 total cpu time spent up to now is 138.8 secs Computing kpt #: 39 total cpu time spent up to now is 142.2 secs Computing kpt #: 40 total cpu time spent up to now is 145.7 secs Computing kpt #: 41 total cpu time spent up to now is 149.1 secs Computing kpt #: 42 total cpu time spent up to now is 152.6 secs Computing kpt #: 43 total cpu time spent up to now is 156.1 secs Computing kpt #: 44 total cpu time spent up to now is 159.6 secs Computing kpt #: 45 total cpu time spent up to now is 163.7 secs Computing kpt #: 46 total cpu time spent up to now is 167.4 secs Computing kpt #: 47 total cpu time spent up to now is 171.0 secs Computing kpt #: 48 total cpu time spent up to now is 174.7 secs Computing kpt #: 49 total cpu time spent up to now is 178.4 secs Computing kpt #: 50 total cpu time spent up to now is 182.1 secs Computing kpt #: 51 total cpu time spent up to now is 185.7 secs Computing kpt #: 52 total cpu time spent up to now is 189.3 secs Computing kpt #: 53 total cpu time spent up to now is 192.9 secs Computing kpt #: 54 total cpu time spent up to now is 196.5 secs Computing kpt #: 55 total cpu time spent up to now is 200.1 secs Computing kpt #: 56 total cpu time spent up to now is 203.7 secs Computing kpt #: 57 total cpu time spent up to now is 207.4 secs Computing kpt #: 58 total cpu time spent up to now is 211.1 secs Computing kpt #: 59 total cpu time spent up to now is 214.7 secs Computing kpt #: 60 total cpu time spent up to now is 218.4 secs Computing kpt #: 61 total cpu time spent up to now is 222.0 secs Computing kpt #: 62 total cpu time spent up to now is 225.7 secs Computing kpt #: 63 total cpu time spent up to now is 229.3 secs Computing kpt #: 64 total cpu time spent up to now is 233.0 secs Computing kpt #: 65 total cpu time spent up to now is 236.7 secs Computing kpt #: 66 total cpu time spent up to now is 240.3 secs Computing kpt #: 67 total cpu time spent up to now is 243.9 secs Computing kpt #: 68 total cpu time spent up to now is 247.5 secs Computing kpt #: 69 total cpu time spent up to now is 251.0 secs Computing kpt #: 70 total cpu time spent up to now is 254.6 secs Computing kpt #: 71 total cpu time spent up to now is 258.1 secs Computing kpt #: 72 total cpu time spent up to now is 261.6 secs Computing kpt #: 73 total cpu time spent up to now is 265.0 secs Computing kpt #: 74 total cpu time spent up to now is 268.5 secs Computing kpt #: 75 total cpu time spent up to now is 271.9 secs Computing kpt #: 76 total cpu time spent up to now is 275.5 secs Computing kpt #: 77 total cpu time spent up to now is 279.3 secs Computing kpt #: 78 total cpu time spent up to now is 282.7 secs Computing kpt #: 79 total cpu time spent up to now is 286.2 secs Computing kpt #: 80 total cpu time spent up to now is 289.7 secs Computing kpt #: 81 total cpu time spent up to now is 293.1 secs Computing kpt #: 82 total cpu time spent up to now is 296.6 secs Computing kpt #: 83 total cpu time spent up to now is 300.1 secs Computing kpt #: 84 total cpu time spent up to now is 303.5 secs Computing kpt #: 85 total cpu time spent up to now is 306.9 secs Computing kpt #: 86 total cpu time spent up to now is 310.3 secs Computing kpt #: 87 total cpu time spent up to now is 313.8 secs Computing kpt #: 88 total cpu time spent up to now is 317.2 secs Computing kpt #: 89 total cpu time spent up to now is 320.6 secs Computing kpt #: 90 total cpu time spent up to now is 324.0 secs Computing kpt #: 91 total cpu time spent up to now is 327.4 secs Computing kpt #: 92 total cpu time spent up to now is 330.9 secs Computing kpt #: 93 total cpu time spent up to now is 334.3 secs Computing kpt #: 94 total cpu time spent up to now is 337.6 secs Computing kpt #: 95 total cpu time spent up to now is 341.0 secs Computing kpt #: 96 total cpu time spent up to now is 344.4 secs Computing kpt #: 97 total cpu time spent up to now is 347.9 secs Computing kpt #: 98 total cpu time spent up to now is 351.3 secs Computing kpt #: 99 total cpu time spent up to now is 354.8 secs Computing kpt #: 100 total cpu time spent up to now is 358.2 secs Computing kpt #: 101 total cpu time spent up to now is 361.5 secs Computing kpt #: 102 total cpu time spent up to now is 364.9 secs Computing kpt #: 103 total cpu time spent up to now is 368.3 secs Computing kpt #: 104 total cpu time spent up to now is 371.7 secs Computing kpt #: 105 total cpu time spent up to now is 375.1 secs Computing kpt #: 106 total cpu time spent up to now is 378.5 secs Computing kpt #: 107 total cpu time spent up to now is 381.8 secs Computing kpt #: 108 total cpu time spent up to now is 385.2 secs Computing kpt #: 109 total cpu time spent up to now is 388.6 secs Computing kpt #: 110 total cpu time spent up to now is 392.0 secs Computing kpt #: 111 total cpu time spent up to now is 395.4 secs Computing kpt #: 112 total cpu time spent up to now is 399.0 secs Computing kpt #: 113 total cpu time spent up to now is 402.3 secs Computing kpt #: 114 total cpu time spent up to now is 405.6 secs Computing kpt #: 115 total cpu time spent up to now is 408.9 secs Computing kpt #: 116 total cpu time spent up to now is 412.4 secs Computing kpt #: 117 total cpu time spent up to now is 415.8 secs Computing kpt #: 118 total cpu time spent up to now is 419.2 secs Computing kpt #: 119 total cpu time spent up to now is 422.6 secs Computing kpt #: 120 total cpu time spent up to now is 426.1 secs Computing kpt #: 121 total cpu time spent up to now is 429.6 secs Computing kpt #: 122 total cpu time spent up to now is 433.2 secs Computing kpt #: 123 total cpu time spent up to now is 436.8 secs Computing kpt #: 124 total cpu time spent up to now is 440.3 secs Computing kpt #: 125 total cpu time spent up to now is 443.9 secs Computing kpt #: 126 total cpu time spent up to now is 447.5 secs Computing kpt #: 127 total cpu time spent up to now is 451.1 secs Computing kpt #: 128 total cpu time spent up to now is 454.7 secs Computing kpt #: 129 total cpu time spent up to now is 458.4 secs Computing kpt #: 130 total cpu time spent up to now is 462.7 secs Computing kpt #: 131 total cpu time spent up to now is 466.5 secs Computing kpt #: 132 total cpu time spent up to now is 470.2 secs Computing kpt #: 133 total cpu time spent up to now is 473.9 secs Computing kpt #: 134 total cpu time spent up to now is 477.7 secs Computing kpt #: 135 total cpu time spent up to now is 481.3 secs Computing kpt #: 136 total cpu time spent up to now is 484.9 secs Computing kpt #: 137 total cpu time spent up to now is 488.5 secs Computing kpt #: 138 total cpu time spent up to now is 492.2 secs Computing kpt #: 139 total cpu time spent up to now is 495.7 secs Computing kpt #: 140 total cpu time spent up to now is 499.3 secs Computing kpt #: 141 total cpu time spent up to now is 502.9 secs Computing kpt #: 142 total cpu time spent up to now is 506.4 secs Computing kpt #: 143 total cpu time spent up to now is 510.0 secs Computing kpt #: 144 total cpu time spent up to now is 513.6 secs Computing kpt #: 145 total cpu time spent up to now is 517.2 secs Computing kpt #: 146 total cpu time spent up to now is 520.8 secs Computing kpt #: 147 total cpu time spent up to now is 524.3 secs Computing kpt #: 148 total cpu time spent up to now is 527.9 secs Computing kpt #: 149 total cpu time spent up to now is 531.5 secs Computing kpt #: 150 total cpu time spent up to now is 535.1 secs Computing kpt #: 151 total cpu time spent up to now is 538.7 secs Computing kpt #: 152 total cpu time spent up to now is 542.4 secs Computing kpt #: 153 total cpu time spent up to now is 546.0 secs Computing kpt #: 154 total cpu time spent up to now is 549.6 secs Computing kpt #: 155 total cpu time spent up to now is 553.2 secs Computing kpt #: 156 total cpu time spent up to now is 557.0 secs Computing kpt #: 157 total cpu time spent up to now is 560.6 secs Computing kpt #: 158 total cpu time spent up to now is 564.1 secs Computing kpt #: 159 total cpu time spent up to now is 567.8 secs Computing kpt #: 160 total cpu time spent up to now is 571.4 secs Computing kpt #: 161 total cpu time spent up to now is 575.0 secs Computing kpt #: 162 total cpu time spent up to now is 579.0 secs Computing kpt #: 163 total cpu time spent up to now is 582.6 secs Computing kpt #: 164 total cpu time spent up to now is 586.2 secs Computing kpt #: 165 total cpu time spent up to now is 589.8 secs Computing kpt #: 166 total cpu time spent up to now is 593.3 secs Computing kpt #: 167 total cpu time spent up to now is 596.9 secs Computing kpt #: 168 total cpu time spent up to now is 600.4 secs Computing kpt #: 169 total cpu time spent up to now is 604.0 secs Computing kpt #: 170 total cpu time spent up to now is 607.7 secs Computing kpt #: 171 total cpu time spent up to now is 611.3 secs Computing kpt #: 172 total cpu time spent up to now is 615.0 secs ethr = 9.62E-09, avg # of iterations = 18.2 total cpu time spent up to now is 615.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 17119 PWs) bands (ev): -9.9691 -9.9691 -9.5501 -9.5501 -9.5275 -9.5275 -9.4807 -9.4807 -8.9161 -8.9161 -8.9082 -8.9082 -8.7795 -8.7795 -8.7514 -8.7514 -8.7409 -8.7409 -8.7174 -8.7174 -8.6324 -8.6324 -8.6157 -8.6157 -5.5035 -5.5035 -5.4751 -5.4751 -5.3238 -5.3238 -5.1332 -5.1332 -1.2161 -1.2161 -0.9693 -0.9693 -0.8704 -0.8704 -0.7031 -0.7031 -0.6163 -0.6163 -0.5173 -0.5173 -0.3628 -0.3628 -0.2619 -0.2619 -0.1560 -0.1560 0.1556 0.1556 0.1668 0.1668 0.4368 0.4368 0.6481 0.6481 0.8582 0.8582 0.9614 0.9614 1.0036 1.0036 1.1560 1.1560 1.2212 1.2212 1.3149 1.3149 1.4202 1.4202 1.5397 1.5397 1.6037 1.6037 1.6824 1.6824 1.8418 1.8418 1.8800 1.8800 1.8980 1.8980 1.9625 1.9625 2.2028 2.2028 2.2065 2.2065 2.2992 2.2992 2.3060 2.3060 2.4835 2.4835 2.5115 2.5115 2.6452 2.6452 2.6632 2.6632 2.9054 2.9054 4.9541 4.9541 5.2942 5.2942 5.3652 5.3652 5.4072 5.4072 5.5215 5.5215 5.6038 5.6038 5.6994 5.6994 5.8089 5.8089 5.9169 5.9169 6.0225 6.0225 k = 0.0000 0.0000 0.0341 ( 17120 PWs) bands (ev): -9.9685 -9.9685 -9.5501 -9.5501 -9.5274 -9.5274 -9.4817 -9.4817 -8.9162 -8.9162 -8.9084 -8.9084 -8.7792 -8.7792 -8.7513 -8.7513 -8.7409 -8.7409 -8.7175 -8.7175 -8.6322 -8.6322 -8.6156 -8.6156 -5.5079 -5.5079 -5.4695 -5.4695 -5.3245 -5.3245 -5.1330 -5.1330 -1.2153 -1.2153 -0.9681 -0.9681 -0.8701 -0.8701 -0.7034 -0.7034 -0.6174 -0.6174 -0.5168 -0.5168 -0.3633 -0.3633 -0.2623 -0.2623 -0.1557 -0.1557 0.1464 0.1464 0.1734 0.1734 0.4348 0.4348 0.6492 0.6492 0.8579 0.8579 0.9619 0.9619 1.0051 1.0051 1.1560 1.1560 1.2179 1.2179 1.3164 1.3164 1.4198 1.4198 1.5396 1.5396 1.5988 1.5988 1.6867 1.6867 1.8363 1.8363 1.8812 1.8812 1.8972 1.8972 1.9648 1.9648 2.1954 2.1954 2.2137 2.2137 2.2987 2.2987 2.3087 2.3087 2.4773 2.4773 2.5170 2.5170 2.6468 2.6468 2.6663 2.6663 2.9058 2.9058 4.9561 4.9561 5.2932 5.2932 5.3643 5.3643 5.4106 5.4106 5.5201 5.5201 5.6046 5.6046 5.6990 5.6990 5.8086 5.8086 5.9171 5.9171 6.0223 6.0223 k = 0.0000 0.0000 0.0682 ( 17104 PWs) bands (ev): -9.9666 -9.9666 -9.5503 -9.5503 -9.5271 -9.5271 -9.4847 -9.4847 -8.9164 -8.9164 -8.9092 -8.9092 -8.7784 -8.7784 -8.7511 -8.7511 -8.7408 -8.7408 -8.7179 -8.7179 -8.6317 -8.6317 -8.6155 -8.6155 -5.5161 -5.5161 -5.4575 -5.4575 -5.3267 -5.3267 -5.1324 -5.1324 -1.2131 -1.2131 -0.9648 -0.9648 -0.8693 -0.8693 -0.7046 -0.7046 -0.6206 -0.6206 -0.5156 -0.5156 -0.3648 -0.3648 -0.2634 -0.2634 -0.1551 -0.1551 0.1309 0.1309 0.1809 0.1809 0.4290 0.4290 0.6520 0.6520 0.8571 0.8571 0.9637 0.9637 1.0092 1.0092 1.1553 1.1553 1.2110 1.2110 1.3190 1.3190 1.4195 1.4195 1.5382 1.5382 1.5866 1.5866 1.6970 1.6970 1.8232 1.8232 1.8798 1.8798 1.8986 1.8986 1.9698 1.9698 2.1875 2.1875 2.2213 2.2213 2.2987 2.2987 2.3155 2.3155 2.4654 2.4654 2.5274 2.5274 2.6511 2.6511 2.6758 2.6758 2.9071 2.9071 4.9616 4.9616 5.2902 5.2902 5.3625 5.3625 5.4199 5.4199 5.5161 5.5161 5.6070 5.6070 5.6981 5.6981 5.8078 5.8078 5.9177 5.9177 6.0221 6.0221 k = 0.0000 0.0000 0.1023 ( 17100 PWs) bands (ev): -9.9635 -9.9635 -9.5506 -9.5506 -9.5266 -9.5266 -9.4894 -9.4894 -8.9169 -8.9169 -8.9104 -8.9104 -8.7772 -8.7772 -8.7508 -8.7508 -8.7408 -8.7408 -8.7184 -8.7184 -8.6308 -8.6308 -8.6153 -8.6153 -5.5245 -5.5245 -5.4429 -5.4429 -5.3303 -5.3303 -5.1314 -5.1314 -1.2094 -1.2094 -0.9594 -0.9594 -0.8680 -0.8680 -0.7065 -0.7065 -0.6257 -0.6257 -0.5138 -0.5138 -0.3670 -0.3670 -0.2650 -0.2650 -0.1542 -0.1542 0.1128 0.1128 0.1860 0.1860 0.4198 0.4198 0.6556 0.6556 0.8559 0.8559 0.9670 0.9670 1.0150 1.0150 1.1518 1.1518 1.2066 1.2066 1.3190 1.3190 1.4201 1.4201 1.5339 1.5339 1.5714 1.5714 1.7091 1.7091 1.8077 1.8077 1.8741 1.8741 1.9034 1.9034 1.9744 1.9744 2.1814 2.1814 2.2277 2.2277 2.2998 2.2998 2.3250 2.3250 2.4529 2.4529 2.5380 2.5380 2.6571 2.6571 2.6914 2.6914 2.9091 2.9091 4.9706 4.9706 5.2856 5.2856 5.3608 5.3608 5.4334 5.4334 5.5104 5.5104 5.6105 5.6105 5.6973 5.6973 5.8062 5.8062 5.9182 5.9182 6.0223 6.0223 k = 0.0000 0.0000 0.1365 ( 17113 PWs) bands (ev): -9.9591 -9.9591 -9.5515 -9.5515 -9.5258 -9.5258 -9.4956 -9.4956 -8.9175 -8.9175 -8.9120 -8.9120 -8.7755 -8.7755 -8.7504 -8.7504 -8.7407 -8.7407 -8.7190 -8.7190 -8.6296 -8.6296 -8.6151 -8.6151 -5.5318 -5.5318 -5.4270 -5.4270 -5.3352 -5.3352 -5.1302 -5.1302 -1.2042 -1.2042 -0.9523 -0.9523 -0.8659 -0.8659 -0.7090 -0.7090 -0.6326 -0.6326 -0.5118 -0.5118 -0.3697 -0.3697 -0.2668 -0.2668 -0.1530 -0.1530 0.0927 0.0927 0.1884 0.1884 0.4078 0.4078 0.6587 0.6587 0.8543 0.8543 0.9720 0.9720 1.0214 1.0214 1.1447 1.1447 1.2092 1.2092 1.3158 1.3158 1.4199 1.4199 1.5262 1.5262 1.5560 1.5560 1.7181 1.7181 1.7947 1.7947 1.8675 1.8675 1.9087 1.9087 1.9767 1.9767 2.1770 2.1770 2.2332 2.2332 2.3020 2.3020 2.3367 2.3367 2.4416 2.4416 2.5480 2.5480 2.6644 2.6644 2.7119 2.7119 2.9116 2.9116 4.9824 4.9824 5.2796 5.2796 5.3595 5.3595 5.4493 5.4493 5.5040 5.5040 5.6145 5.6145 5.6976 5.6976 5.8037 5.8037 5.9182 5.9182 6.0236 6.0236 k = 0.0000 0.0000 0.1706 ( 17132 PWs) bands (ev): -9.9536 -9.9536 -9.5532 -9.5532 -9.5249 -9.5249 -9.5026 -9.5026 -8.9185 -8.9185 -8.9139 -8.9139 -8.7735 -8.7735 -8.7500 -8.7500 -8.7405 -8.7405 -8.7197 -8.7197 -8.6282 -8.6282 -8.6148 -8.6148 -5.5379 -5.5379 -5.4100 -5.4100 -5.3413 -5.3413 -5.1289 -5.1289 -1.1976 -1.1976 -0.9441 -0.9441 -0.8628 -0.8628 -0.7122 -0.7122 -0.6409 -0.6409 -0.5097 -0.5097 -0.3724 -0.3724 -0.2686 -0.2686 -0.1516 -0.1516 0.0710 0.0710 0.1880 0.1880 0.3933 0.3933 0.6602 0.6602 0.8524 0.8524 0.9782 0.9782 1.0278 1.0278 1.1365 1.1365 1.2180 1.2180 1.3111 1.3111 1.4145 1.4145 1.5177 1.5177 1.5414 1.5414 1.7177 1.7177 1.7898 1.7898 1.8614 1.8614 1.9137 1.9137 1.9769 1.9769 2.1736 2.1736 2.2386 2.2386 2.3048 2.3048 2.3500 2.3500 2.4333 2.4333 2.5571 2.5571 2.6727 2.6727 2.7356 2.7356 2.9145 2.9145 4.9963 4.9963 5.2728 5.2728 5.3585 5.3585 5.4653 5.4653 5.4995 5.4995 5.6187 5.6187 5.7001 5.7001 5.8002 5.8002 5.9171 5.9171 6.0267 6.0267 k = 0.0000 0.0000 0.2047 ( 17130 PWs) bands (ev): -9.9468 -9.9468 -9.5566 -9.5566 -9.5239 -9.5239 -9.5096 -9.5096 -8.9196 -8.9196 -8.9162 -8.9162 -8.7711 -8.7711 -8.7496 -8.7496 -8.7403 -8.7403 -8.7204 -8.7204 -8.6266 -8.6266 -8.6144 -8.6144 -5.5426 -5.5426 -5.3924 -5.3924 -5.3484 -5.3484 -5.1277 -5.1277 -1.1896 -1.1896 -0.9356 -0.9356 -0.8582 -0.8582 -0.7159 -0.7159 -0.6504 -0.6504 -0.5080 -0.5080 -0.3749 -0.3749 -0.2698 -0.2698 -0.1500 -0.1500 0.0483 0.0483 0.1849 0.1849 0.3763 0.3763 0.6595 0.6595 0.8504 0.8504 0.9845 0.9845 1.0344 1.0344 1.1302 1.1302 1.2305 1.2305 1.3073 1.3073 1.4009 1.4009 1.5095 1.5095 1.5294 1.5294 1.7060 1.7060 1.7943 1.7943 1.8563 1.8563 1.9183 1.9183 1.9761 1.9761 2.1703 2.1703 2.2442 2.2442 2.3068 2.3068 2.3647 2.3647 2.4290 2.4290 2.5653 2.5653 2.6820 2.6820 2.7608 2.7608 2.9175 2.9175 5.0116 5.0116 5.2655 5.2655 5.3575 5.3575 5.4751 5.4751 5.5026 5.5026 5.6227 5.6227 5.7059 5.7059 5.7962 5.7962 5.9144 5.9144 6.0316 6.0316 k = 0.0000 0.0000 0.2388 ( 17132 PWs) bands (ev): -9.9389 -9.9389 -9.5627 -9.5627 -9.5228 -9.5228 -9.5154 -9.5154 -8.9211 -8.9211 -8.9186 -8.9186 -8.7686 -8.7686 -8.7492 -8.7492 -8.7399 -8.7399 -8.7211 -8.7211 -8.6249 -8.6249 -8.6140 -8.6140 -5.5458 -5.5458 -5.3743 -5.3743 -5.3564 -5.3564 -5.1268 -5.1268 -1.1802 -1.1802 -0.9280 -0.9280 -0.8513 -0.8513 -0.7199 -0.7199 -0.6607 -0.6607 -0.5070 -0.5070 -0.3767 -0.3767 -0.2704 -0.2704 -0.1482 -0.1482 0.0250 0.0250 0.1791 0.1791 0.3570 0.3570 0.6568 0.6568 0.8482 0.8482 0.9897 0.9897 1.0411 1.0411 1.1274 1.1274 1.2438 1.2438 1.3059 1.3059 1.3808 1.3808 1.4967 1.4967 1.5248 1.5248 1.6878 1.6878 1.8027 1.8027 1.8523 1.8523 1.9221 1.9221 1.9757 1.9757 2.1667 2.1667 2.2502 2.2502 2.3070 2.3070 2.3812 2.3812 2.4296 2.4296 2.5725 2.5725 2.6921 2.6921 2.7857 2.7857 2.9206 2.9206 5.0273 5.0273 5.2582 5.2582 5.3560 5.3560 5.4758 5.4758 5.5162 5.5162 5.6262 5.6262 5.7153 5.7153 5.7926 5.7926 5.9105 5.9105 6.0377 6.0377 k = 0.0000 0.0000 0.2729 ( 17123 PWs) bands (ev): -9.9298 -9.9298 -9.5720 -9.5720 -9.5215 -9.5215 -9.5193 -9.5193 -8.9229 -8.9229 -8.9210 -8.9210 -8.7661 -8.7661 -8.7490 -8.7490 -8.7394 -8.7394 -8.7216 -8.7216 -8.6232 -8.6232 -8.6135 -8.6135 -5.5475 -5.5475 -5.3655 -5.3655 -5.3556 -5.3556 -5.1262 -5.1262 -1.1695 -1.1695 -0.9225 -0.9225 -0.8414 -0.8414 -0.7243 -0.7243 -0.6718 -0.6718 -0.5067 -0.5067 -0.3777 -0.3777 -0.2699 -0.2699 -0.1462 -0.1462 0.0017 0.0017 0.1706 0.1706 0.3353 0.3353 0.6527 0.6527 0.8458 0.8458 0.9934 0.9934 1.0477 1.0477 1.1287 1.1287 1.2546 1.2546 1.3060 1.3060 1.3607 1.3607 1.4796 1.4796 1.5257 1.5257 1.6670 1.6670 1.8110 1.8110 1.8491 1.8491 1.9248 1.9248 1.9773 1.9773 2.1625 2.1625 2.2564 2.2564 2.3054 2.3054 2.3992 2.3992 2.4344 2.4344 2.5788 2.5788 2.7028 2.7028 2.8089 2.8089 2.9238 2.9238 5.0429 5.0429 5.2511 5.2511 5.3540 5.3540 5.4746 5.4746 5.5325 5.5325 5.6295 5.6295 5.7275 5.7275 5.7909 5.7909 5.9063 5.9063 6.0417 6.0417 k = 0.0000 0.0000 0.3070 ( 17114 PWs) bands (ev): -9.9196 -9.9196 -9.5843 -9.5843 -9.5213 -9.5213 -9.5202 -9.5202 -8.9251 -8.9251 -8.9234 -8.9234 -8.7636 -8.7636 -8.7488 -8.7488 -8.7386 -8.7386 -8.7219 -8.7219 -8.6214 -8.6214 -8.6131 -8.6131 -5.5477 -5.5477 -5.3749 -5.3749 -5.3371 -5.3371 -5.1262 -5.1262 -1.1575 -1.1575 -0.9198 -0.9198 -0.8282 -0.8282 -0.7289 -0.7289 -0.6831 -0.6831 -0.5075 -0.5075 -0.3777 -0.3777 -0.2683 -0.2683 -0.1438 -0.1438 -0.0210 -0.0210 0.1598 0.1598 0.3113 0.3113 0.6482 0.6482 0.8430 0.8430 0.9963 0.9963 1.0527 1.0527 1.1335 1.1335 1.2607 1.2607 1.2996 1.2996 1.3522 1.3522 1.4626 1.4626 1.5278 1.5278 1.6454 1.6454 1.8180 1.8180 1.8464 1.8464 1.9257 1.9257 1.9818 1.9818 2.1579 2.1579 2.2626 2.2626 2.3033 2.3033 2.4183 2.4183 2.4419 2.4419 2.5841 2.5841 2.7140 2.7140 2.8290 2.8290 2.9271 2.9271 5.0578 5.0578 5.2443 5.2443 5.3519 5.3519 5.4740 5.4740 5.5479 5.5479 5.6326 5.6326 5.7390 5.7390 5.7942 5.7942 5.9033 5.9033 6.0367 6.0367 k = 0.0000 0.0000 0.3411 ( 17113 PWs) bands (ev): -9.9083 -9.9083 -9.5991 -9.5991 -9.5218 -9.5218 -9.5190 -9.5190 -8.9276 -8.9276 -8.9256 -8.9256 -8.7614 -8.7614 -8.7489 -8.7489 -8.7377 -8.7377 -8.7221 -8.7221 -8.6198 -8.6198 -8.6126 -8.6126 -5.5465 -5.5465 -5.3850 -5.3850 -5.3186 -5.3186 -5.1268 -5.1268 -1.1444 -1.1444 -0.9199 -0.9199 -0.8124 -0.8124 -0.7333 -0.7333 -0.6943 -0.6943 -0.5095 -0.5095 -0.3766 -0.3766 -0.2656 -0.2656 -0.1411 -0.1411 -0.0425 -0.0425 0.1467 0.1467 0.2850 0.2850 0.6446 0.6446 0.8393 0.8393 0.9993 0.9993 1.0552 1.0552 1.1404 1.1404 1.2577 1.2577 1.2881 1.2881 1.3569 1.3569 1.4496 1.4496 1.5294 1.5294 1.6246 1.6246 1.8236 1.8236 1.8439 1.8439 1.9247 1.9247 1.9886 1.9886 2.1531 2.1531 2.2680 2.2680 2.3024 2.3024 2.4374 2.4374 2.4506 2.4506 2.5890 2.5890 2.7253 2.7253 2.8453 2.8453 2.9308 2.9308 5.0718 5.0718 5.2376 5.2376 5.3504 5.3504 5.4740 5.4740 5.5612 5.5612 5.6358 5.6358 5.7450 5.7450 5.8060 5.8060 5.9036 5.9036 6.0224 6.0224 k = 0.0000 0.0000 0.3752 ( 17113 PWs) bands (ev): -9.8960 -9.8960 -9.6155 -9.6155 -9.5215 -9.5215 -9.5178 -9.5178 -8.9301 -8.9301 -8.9278 -8.9278 -8.7595 -8.7595 -8.7490 -8.7490 -8.7364 -8.7364 -8.7222 -8.7222 -8.6182 -8.6182 -8.6121 -8.6121 -5.5439 -5.5439 -5.3955 -5.3955 -5.3003 -5.3003 -5.1283 -5.1283 -1.1303 -1.1303 -0.9226 -0.9226 -0.7951 -0.7951 -0.7373 -0.7373 -0.7050 -0.7050 -0.5128 -0.5128 -0.3744 -0.3744 -0.2621 -0.2621 -0.1377 -0.1377 -0.0620 -0.0620 0.1318 0.1318 0.2569 0.2569 0.6426 0.6426 0.8345 0.8345 1.0033 1.0033 1.0554 1.0554 1.1470 1.1470 1.2411 1.2411 1.2859 1.2859 1.3615 1.3615 1.4450 1.4450 1.5298 1.5298 1.6065 1.6065 1.8274 1.8274 1.8420 1.8420 1.9224 1.9224 1.9966 1.9966 2.1484 2.1484 2.2720 2.2720 2.3048 2.3048 2.4552 2.4552 2.4594 2.4594 2.5942 2.5942 2.7360 2.7360 2.8574 2.8574 2.9348 2.9348 5.0848 5.0848 5.2310 5.2310 5.3503 5.3503 5.4739 5.4739 5.5723 5.5723 5.6397 5.6397 5.7445 5.7445 5.8247 5.8247 5.9096 5.9096 6.0046 6.0046 k = 0.0000 0.0000 0.4094 ( 17112 PWs) bands (ev): -9.8827 -9.8827 -9.6330 -9.6330 -9.5208 -9.5208 -9.5167 -9.5167 -8.9324 -8.9324 -8.9299 -8.9299 -8.7579 -8.7579 -8.7493 -8.7493 -8.7349 -8.7349 -8.7221 -8.7221 -8.6167 -8.6167 -8.6117 -8.6117 -5.5400 -5.5400 -5.4064 -5.4064 -5.2823 -5.2823 -5.1306 -5.1306 -1.1154 -1.1154 -0.9273 -0.9273 -0.7787 -0.7787 -0.7398 -0.7398 -0.7139 -0.7139 -0.5178 -0.5178 -0.3710 -0.3710 -0.2583 -0.2583 -0.1338 -0.1338 -0.0787 -0.0787 0.1156 0.1156 0.2273 0.2273 0.6429 0.6429 0.8280 0.8280 1.0085 1.0085 1.0542 1.0542 1.1507 1.1507 1.2206 1.2206 1.2881 1.2881 1.3602 1.3602 1.4499 1.4499 1.5277 1.5277 1.5944 1.5944 1.8280 1.8280 1.8420 1.8420 1.9194 1.9194 2.0048 2.0048 2.1433 2.1433 2.2750 2.2750 2.3106 2.3106 2.4666 2.4666 2.4713 2.4713 2.6006 2.6006 2.7451 2.7451 2.8661 2.8661 2.9386 2.9386 5.0972 5.0972 5.2241 5.2241 5.3521 5.3521 5.4727 5.4727 5.5813 5.5813 5.6447 5.6447 5.7394 5.7394 5.8454 5.8454 5.9212 5.9212 5.9872 5.9872 k = 0.0000 0.0000 0.4435 ( 17106 PWs) bands (ev): -9.8684 -9.8684 -9.6514 -9.6514 -9.5197 -9.5197 -9.5157 -9.5157 -8.9346 -8.9346 -8.9320 -8.9320 -8.7566 -8.7566 -8.7497 -8.7497 -8.7332 -8.7332 -8.7221 -8.7221 -8.6153 -8.6153 -8.6113 -8.6113 -5.5349 -5.5349 -5.4176 -5.4176 -5.2649 -5.2649 -5.1340 -5.1340 -1.0998 -1.0998 -0.9339 -0.9339 -0.7678 -0.7678 -0.7404 -0.7404 -0.7173 -0.7173 -0.5245 -0.5245 -0.3660 -0.3660 -0.2553 -0.2553 -0.1290 -0.1290 -0.0917 -0.0917 0.0988 0.0988 0.1970 0.1970 0.6460 0.6460 0.8192 0.8192 1.0153 1.0153 1.0526 1.0526 1.1498 1.1498 1.2020 1.2020 1.2896 1.2896 1.3562 1.3562 1.4592 1.4592 1.5214 1.5214 1.5922 1.5922 1.8238 1.8238 1.8450 1.8450 1.9160 1.9160 2.0129 2.0129 2.1377 2.1377 2.2786 2.2786 2.3184 2.3184 2.4730 2.4730 2.4833 2.4833 2.6093 2.6093 2.7515 2.7515 2.8728 2.8728 2.9415 2.9415 5.1091 5.1091 5.2170 5.2170 5.3559 5.3559 5.4699 5.4699 5.5883 5.5883 5.6516 5.6516 5.7314 5.7314 5.8646 5.8646 5.9307 5.9307 5.9795 5.9795 k = 0.0000 0.0000 0.4776 ( 17107 PWs) bands (ev): -9.8532 -9.8532 -9.6704 -9.6704 -9.5186 -9.5186 -9.5149 -9.5149 -8.9365 -8.9365 -8.9340 -8.9340 -8.7556 -8.7556 -8.7502 -8.7502 -8.7314 -8.7314 -8.7221 -8.7221 -8.6142 -8.6142 -8.6110 -8.6110 -5.5287 -5.5287 -5.4289 -5.4289 -5.2482 -5.2482 -5.1385 -5.1385 -1.0836 -1.0836 -0.9420 -0.9420 -0.7650 -0.7650 -0.7438 -0.7438 -0.7079 -0.7079 -0.5334 -0.5334 -0.3593 -0.3593 -0.2545 -0.2545 -0.1235 -0.1235 -0.0999 -0.0999 0.0820 0.0820 0.1666 0.1666 0.6520 0.6520 0.8078 0.8078 1.0236 1.0236 1.0517 1.0517 1.1438 1.1438 1.1862 1.1862 1.2900 1.2900 1.3525 1.3525 1.4675 1.4675 1.5117 1.5117 1.6012 1.6012 1.8154 1.8154 1.8502 1.8502 1.9124 1.9124 2.0211 2.0211 2.1308 2.1308 2.2840 2.2840 2.3265 2.3265 2.4777 2.4777 2.4914 2.4914 2.6210 2.6210 2.7540 2.7540 2.8791 2.8791 2.9428 2.9428 5.1206 5.1206 5.2098 5.2098 5.3617 5.3617 5.4651 5.4651 5.5940 5.5940 5.6599 5.6599 5.7225 5.7225 5.8769 5.8769 5.9294 5.9294 5.9928 5.9928 k = 0.0000 0.0000 0.5117 ( 17109 PWs) bands (ev): -9.8372 -9.8372 -9.6896 -9.6896 -9.5174 -9.5174 -9.5142 -9.5142 -8.9380 -8.9380 -8.9358 -8.9358 -8.7548 -8.7548 -8.7507 -8.7507 -8.7296 -8.7296 -8.7221 -8.7221 -8.6131 -8.6131 -8.6107 -8.6107 -5.5215 -5.5215 -5.4403 -5.4403 -5.2323 -5.2323 -5.1441 -5.1441 -1.0672 -1.0672 -0.9517 -0.9517 -0.7661 -0.7661 -0.7501 -0.7501 -0.6899 -0.6899 -0.5444 -0.5444 -0.3507 -0.3507 -0.2572 -0.2572 -0.1171 -0.1171 -0.1032 -0.1032 0.0665 0.0665 0.1370 0.1370 0.6609 0.6609 0.7937 0.7937 1.0331 1.0331 1.0525 1.0525 1.1345 1.1345 1.1716 1.1716 1.2909 1.2909 1.3489 1.3489 1.4730 1.4730 1.5018 1.5018 1.6187 1.6187 1.8030 1.8030 1.8568 1.8568 1.9085 1.9085 2.0299 2.0299 2.1223 2.1223 2.2916 2.2916 2.3334 2.3334 2.4810 2.4810 2.4958 2.4958 2.6355 2.6355 2.7519 2.7519 2.8862 2.8862 2.9422 2.9422 5.1317 5.1317 5.2025 5.2025 5.3693 5.3693 5.4580 5.4580 5.5996 5.5996 5.6671 5.6671 5.7162 5.7162 5.8707 5.8707 5.9366 5.9366 6.0149 6.0149 k = 0.0000 0.0000 0.5458 ( 17105 PWs) bands (ev): -9.8205 -9.8205 -9.7090 -9.7090 -9.5163 -9.5163 -9.5138 -9.5138 -8.9392 -8.9392 -8.9374 -8.9374 -8.7542 -8.7542 -8.7512 -8.7512 -8.7280 -8.7280 -8.7223 -8.7223 -8.6123 -8.6123 -8.6105 -8.6105 -5.5133 -5.5133 -5.4517 -5.4517 -5.2173 -5.2173 -5.1509 -5.1509 -1.0507 -1.0507 -0.9628 -0.9628 -0.7678 -0.7678 -0.7563 -0.7563 -0.6694 -0.6694 -0.5576 -0.5576 -0.3402 -0.3402 -0.2639 -0.2639 -0.1100 -0.1100 -0.1021 -0.1021 0.0536 0.0536 0.1091 0.1091 0.6726 0.6726 0.7771 0.7771 1.0436 1.0436 1.0553 1.0553 1.1243 1.1243 1.1564 1.1564 1.2942 1.2942 1.3438 1.3438 1.4760 1.4760 1.4936 1.4936 1.6415 1.6415 1.7869 1.7869 1.8642 1.8642 1.9041 1.9041 2.0397 2.0397 2.1122 2.1122 2.3010 2.3010 2.3379 2.3379 2.4835 2.4835 2.4973 2.4973 2.6520 2.6520 2.7453 2.7453 2.8942 2.8942 2.9394 2.9394 5.1424 5.1424 5.1950 5.1950 5.3786 5.3786 5.4490 5.4490 5.6061 5.6061 5.6670 5.6670 5.7193 5.7193 5.8503 5.8503 5.9552 5.9552 6.0321 6.0321 k = 0.0000 0.0000 0.5799 ( 17098 PWs) bands (ev): -9.8031 -9.8031 -9.7284 -9.7284 -9.5154 -9.5154 -9.5136 -9.5136 -8.9399 -8.9399 -8.9386 -8.9386 -8.7536 -8.7536 -8.7517 -8.7517 -8.7265 -8.7265 -8.7227 -8.7227 -8.6116 -8.6116 -8.6105 -8.6105 -5.5044 -5.5044 -5.4629 -5.4629 -5.2033 -5.2033 -5.1589 -5.1589 -1.0343 -1.0343 -0.9751 -0.9751 -0.7691 -0.7691 -0.7616 -0.7616 -0.6485 -0.6485 -0.5728 -0.5728 -0.3280 -0.3280 -0.2740 -0.2740 -0.1029 -0.1029 -0.0987 -0.0987 0.0451 0.0451 0.0840 0.0840 0.6868 0.6868 0.7589 0.7589 1.0540 1.0540 1.0599 1.0599 1.1156 1.1156 1.1407 1.1407 1.3000 1.3000 1.3365 1.3365 1.4776 1.4776 1.4877 1.4877 1.6672 1.6672 1.7673 1.7673 1.8719 1.8719 1.8991 1.8991 2.0507 2.0507 2.1008 2.1008 2.3113 2.3113 2.3389 2.3389 2.4859 2.4859 2.4966 2.4966 2.6697 2.6697 2.7346 2.7346 2.9031 2.9031 2.9348 2.9348 5.1526 5.1526 5.1874 5.1874 5.3894 5.3894 5.4382 5.4382 5.6140 5.6140 5.6587 5.6587 5.7329 5.7329 5.8256 5.8256 5.9765 5.9765 6.0366 6.0366 k = 0.0000 0.0000 0.6140 ( 17112 PWs) bands (ev): -9.7851 -9.7851 -9.7476 -9.7476 -9.5146 -9.5146 -9.5137 -9.5137 -8.9402 -8.9402 -8.9396 -8.9396 -8.7531 -8.7531 -8.7522 -8.7522 -8.7252 -8.7252 -8.7233 -8.7233 -8.6111 -8.6111 -8.6105 -8.6105 -5.4947 -5.4947 -5.4739 -5.4739 -5.1904 -5.1904 -5.1682 -5.1682 -1.0184 -1.0184 -0.9886 -0.9886 -0.7692 -0.7692 -0.7655 -0.7655 -0.6280 -0.6280 -0.5898 -0.5898 -0.3145 -0.3145 -0.2866 -0.2866 -0.0973 -0.0973 -0.0954 -0.0954 0.0432 0.0432 0.0635 0.0635 0.7032 0.7032 0.7400 0.7400 1.0622 1.0622 1.0650 1.0650 1.1111 1.1111 1.1259 1.1259 1.3081 1.3081 1.3274 1.3274 1.4790 1.4790 1.4837 1.4837 1.6938 1.6938 1.7448 1.7448 1.8796 1.8796 1.8934 1.8934 2.0627 2.0627 2.0883 2.0883 2.3214 2.3214 2.3362 2.3362 2.4886 2.4886 2.4945 2.4945 2.6876 2.6876 2.7209 2.7209 2.9121 2.9121 2.9284 2.9284 5.1621 5.1621 5.1795 5.1795 5.4012 5.4012 5.4262 5.4262 5.6237 5.6237 5.6470 5.6470 5.7526 5.7526 5.8002 5.8002 5.9972 5.9972 6.0295 6.0295 k = 0.0000 0.0000 0.6481 ( 17112 PWs) bands (ev): -9.7665 -9.7665 -9.7665 -9.7665 -9.5140 -9.5140 -9.5140 -9.5140 -8.9401 -8.9401 -8.9401 -8.9401 -8.7527 -8.7527 -8.7527 -8.7527 -8.7241 -8.7241 -8.7241 -8.7241 -8.6108 -8.6108 -8.6108 -8.6108 -5.4845 -5.4845 -5.4845 -5.4845 -5.1787 -5.1787 -5.1787 -5.1787 -1.0031 -1.0031 -1.0031 -1.0031 -0.7681 -0.7681 -0.7681 -0.7681 -0.6083 -0.6083 -0.6083 -0.6083 -0.3004 -0.3004 -0.3004 -0.3004 -0.0946 -0.0946 -0.0946 -0.0946 0.0493 0.0493 0.0493 0.0493 0.7211 0.7211 0.7211 0.7211 1.0664 1.0664 1.0664 1.0664 1.1147 1.1147 1.1147 1.1147 1.3176 1.3176 1.3176 1.3176 1.4809 1.4809 1.4809 1.4809 1.7200 1.7200 1.7200 1.7200 1.8868 1.8868 1.8868 1.8868 2.0754 2.0754 2.0754 2.0754 2.3301 2.3301 2.3301 2.3301 2.4916 2.4916 2.4916 2.4916 2.7049 2.7049 2.7049 2.7049 2.9207 2.9207 2.9207 2.9207 5.1711 5.1711 5.1711 5.1711 5.4137 5.4137 5.4137 5.4137 5.6349 5.6349 5.6349 5.6349 5.7755 5.7755 5.7755 5.7755 6.0155 6.0155 6.0155 6.0155 k = 0.0000 0.0000 0.6481 ( 17112 PWs) bands (ev): -9.7665 -9.7665 -9.7665 -9.7665 -9.5140 -9.5140 -9.5140 -9.5140 -8.9401 -8.9401 -8.9401 -8.9401 -8.7527 -8.7527 -8.7527 -8.7527 -8.7241 -8.7241 -8.7241 -8.7241 -8.6108 -8.6108 -8.6108 -8.6108 -5.4845 -5.4845 -5.4845 -5.4845 -5.1787 -5.1787 -5.1787 -5.1787 -1.0031 -1.0031 -1.0031 -1.0031 -0.7681 -0.7681 -0.7681 -0.7681 -0.6083 -0.6083 -0.6083 -0.6083 -0.3004 -0.3004 -0.3004 -0.3004 -0.0946 -0.0946 -0.0946 -0.0946 0.0493 0.0493 0.0493 0.0493 0.7211 0.7211 0.7211 0.7211 1.0664 1.0664 1.0664 1.0664 1.1147 1.1147 1.1147 1.1147 1.3176 1.3176 1.3176 1.3176 1.4809 1.4809 1.4809 1.4809 1.7200 1.7200 1.7200 1.7200 1.8868 1.8868 1.8868 1.8868 2.0754 2.0754 2.0754 2.0754 2.3301 2.3301 2.3301 2.3301 2.4916 2.4916 2.4916 2.4916 2.7049 2.7049 2.7049 2.7049 2.9207 2.9207 2.9207 2.9207 5.1711 5.1711 5.1711 5.1711 5.4137 5.4137 5.4137 5.4137 5.6349 5.6349 5.6349 5.6349 5.7755 5.7755 5.7755 5.7755 6.0155 6.0155 6.0155 6.0155 k = 0.0000 0.0340 0.6481 ( 17104 PWs) bands (ev): -9.7674 -9.7674 -9.7649 -9.7649 -9.5146 -9.5146 -9.5130 -9.5130 -8.9423 -8.9423 -8.9377 -8.9377 -8.7595 -8.7595 -8.7474 -8.7474 -8.7286 -8.7286 -8.7197 -8.7197 -8.6116 -8.6116 -8.6105 -8.6105 -5.4864 -5.4864 -5.4821 -5.4821 -5.1865 -5.1865 -5.1704 -5.1704 -1.0106 -1.0106 -0.9957 -0.9957 -0.7764 -0.7764 -0.7578 -0.7578 -0.6187 -0.6187 -0.5963 -0.5963 -0.3187 -0.3187 -0.2833 -0.2833 -0.1133 -0.1133 -0.0757 -0.0757 0.0432 0.0432 0.0560 0.0560 0.7143 0.7143 0.7275 0.7275 1.0575 1.0575 1.0663 1.0663 1.0987 1.0987 1.1387 1.1387 1.3021 1.3021 1.3337 1.3337 1.4701 1.4701 1.4929 1.4929 1.7137 1.7137 1.7274 1.7274 1.8822 1.8822 1.8926 1.8926 2.0649 2.0649 2.0854 2.0854 2.3169 2.3169 2.3409 2.3409 2.4799 2.4799 2.5034 2.5034 2.6936 2.6936 2.7142 2.7142 2.9149 2.9149 2.9244 2.9244 5.1634 5.1634 5.1791 5.1791 5.4054 5.4054 5.4204 5.4204 5.6213 5.6213 5.6494 5.6494 5.7540 5.7540 5.7957 5.7957 6.0041 6.0041 6.0273 6.0273 k = 0.0000 0.0680 0.6481 ( 17110 PWs) bands (ev): -9.7675 -9.7675 -9.7624 -9.7624 -9.5148 -9.5148 -9.5114 -9.5114 -8.9442 -8.9442 -8.9351 -8.9351 -8.7677 -8.7677 -8.7438 -8.7438 -8.7332 -8.7332 -8.7155 -8.7155 -8.6132 -8.6132 -8.6110 -8.6110 -5.4876 -5.4876 -5.4791 -5.4791 -5.1937 -5.1937 -5.1616 -5.1616 -1.0180 -1.0180 -0.9890 -0.9890 -0.7825 -0.7825 -0.7456 -0.7456 -0.6274 -0.6274 -0.5830 -0.5830 -0.3375 -0.3375 -0.2681 -0.2681 -0.1311 -0.1311 -0.0574 -0.0574 0.0378 0.0378 0.0632 0.0632 0.7073 0.7073 0.7333 0.7333 1.0391 1.0391 1.0610 1.0610 1.0923 1.0923 1.1656 1.1656 1.2889 1.2889 1.3489 1.3489 1.4608 1.4608 1.5063 1.5063 1.7094 1.7094 1.7346 1.7346 1.8792 1.8792 1.8990 1.8990 2.0540 2.0540 2.0947 2.0947 2.3021 2.3021 2.3486 2.3486 2.4685 2.4685 2.5149 2.5149 2.6806 2.6806 2.7211 2.7211 2.9075 2.9075 2.9257 2.9257 5.1563 5.1563 5.1869 5.1869 5.3954 5.3954 5.4258 5.4258 5.6097 5.6097 5.6625 5.6625 5.7335 5.7335 5.8136 5.8136 5.9940 5.9940 6.0391 6.0391 k = 0.0000 0.1020 0.6481 ( 17098 PWs) bands (ev): -9.7669 -9.7669 -9.7592 -9.7592 -9.5145 -9.5145 -9.5093 -9.5093 -8.9460 -8.9460 -8.9322 -8.9322 -8.7771 -8.7771 -8.7422 -8.7422 -8.7376 -8.7376 -8.7115 -8.7115 -8.6154 -8.6154 -8.6121 -8.6121 -5.4884 -5.4884 -5.4755 -5.4755 -5.2004 -5.2004 -5.1523 -5.1523 -1.0250 -1.0250 -0.9831 -0.9831 -0.7865 -0.7865 -0.7319 -0.7319 -0.6342 -0.6342 -0.5685 -0.5685 -0.3562 -0.3562 -0.2555 -0.2555 -0.1472 -0.1472 -0.0408 -0.0408 0.0335 0.0335 0.0710 0.0710 0.7003 0.7003 0.7380 0.7380 1.0176 1.0176 1.0528 1.0528 1.0897 1.0897 1.1930 1.1930 1.2784 1.2784 1.3619 1.3619 1.4533 1.4533 1.5216 1.5216 1.7073 1.7073 1.7400 1.7400 1.8784 1.8784 1.9057 1.9057 2.0432 2.0432 2.1034 2.1034 2.2865 2.2865 2.3522 2.3522 2.4581 2.4581 2.5256 2.5256 2.6664 2.6664 2.7253 2.7253 2.8990 2.8990 2.9246 2.9246 5.1503 5.1503 5.1941 5.1941 5.3838 5.3838 5.4299 5.4299 5.6005 5.6005 5.6682 5.6682 5.7203 5.7203 5.8285 5.8285 5.9858 5.9858 6.0500 6.0500 k = 0.0000 0.1360 0.6481 ( 17107 PWs) bands (ev): -9.7657 -9.7657 -9.7551 -9.7551 -9.5138 -9.5138 -9.5068 -9.5068 -8.9476 -8.9476 -8.9292 -8.9292 -8.7875 -8.7875 -8.7449 -8.7449 -8.7395 -8.7395 -8.7080 -8.7080 -8.6183 -8.6183 -8.6138 -8.6138 -5.4886 -5.4886 -5.4713 -5.4713 -5.2067 -5.2067 -5.1425 -5.1425 -1.0312 -1.0312 -0.9783 -0.9783 -0.7886 -0.7886 -0.7169 -0.7169 -0.6389 -0.6389 -0.5531 -0.5531 -0.3741 -0.3741 -0.2465 -0.2465 -0.1607 -0.1607 -0.0275 -0.0275 0.0309 0.0309 0.0798 0.0798 0.6935 0.6935 0.7415 0.7415 0.9970 0.9970 1.0424 1.0424 1.0883 1.0883 1.2193 1.2193 1.2706 1.2706 1.3726 1.3726 1.4481 1.4481 1.5387 1.5387 1.7072 1.7072 1.7422 1.7422 1.8801 1.8801 1.9123 1.9123 2.0329 2.0329 2.1114 2.1114 2.2709 2.2709 2.3512 2.3512 2.4491 2.4491 2.5352 2.5352 2.6514 2.6514 2.7265 2.7265 2.8900 2.8900 2.9214 2.9214 5.1455 5.1455 5.2003 5.2003 5.3708 5.3708 5.4326 5.4326 5.5935 5.5935 5.6596 5.6596 5.7216 5.7216 5.8401 5.8401 5.9798 5.9798 6.0597 6.0597 k = 0.0000 0.1700 0.6481 ( 17103 PWs) bands (ev): -9.7638 -9.7638 -9.7502 -9.7502 -9.5127 -9.5127 -9.5039 -9.5039 -8.9490 -8.9490 -8.9259 -8.9259 -8.7985 -8.7985 -8.7504 -8.7504 -8.7401 -8.7401 -8.7051 -8.7051 -8.6217 -8.6217 -8.6161 -8.6161 -5.4884 -5.4884 -5.4665 -5.4665 -5.2125 -5.2125 -5.1324 -5.1324 -1.0366 -1.0366 -0.9746 -0.9746 -0.7888 -0.7888 -0.7011 -0.7011 -0.6413 -0.6413 -0.5371 -0.5371 -0.3908 -0.3908 -0.2418 -0.2418 -0.1707 -0.1707 -0.0188 -0.0188 0.0307 0.0307 0.0901 0.0901 0.6870 0.6870 0.7431 0.7431 0.9787 0.9787 1.0309 1.0309 1.0880 1.0880 1.2424 1.2424 1.2656 1.2656 1.3824 1.3824 1.4451 1.4451 1.5572 1.5572 1.7085 1.7085 1.7404 1.7404 1.8839 1.8839 1.9186 1.9186 2.0239 2.0239 2.1189 2.1189 2.2558 2.2558 2.3459 2.3459 2.4415 2.4415 2.5429 2.5429 2.6364 2.6364 2.7243 2.7243 2.8807 2.8807 2.9169 2.9169 5.1420 5.1420 5.2056 5.2056 5.3570 5.3570 5.4338 5.4338 5.5881 5.5881 5.6440 5.6440 5.7310 5.7310 5.8483 5.8483 5.9762 5.9762 6.0678 6.0678 k = 0.0000 0.2040 0.6481 ( 17102 PWs) bands (ev): -9.7615 -9.7615 -9.7445 -9.7445 -9.5113 -9.5113 -9.5005 -9.5005 -8.9502 -8.9502 -8.9224 -8.9224 -8.8101 -8.8101 -8.7566 -8.7566 -8.7415 -8.7415 -8.7028 -8.7028 -8.6256 -8.6256 -8.6190 -8.6190 -5.4878 -5.4878 -5.4612 -5.4612 -5.2179 -5.2179 -5.1219 -5.1219 -1.0410 -1.0410 -0.9721 -0.9721 -0.7878 -0.7878 -0.6852 -0.6852 -0.6409 -0.6409 -0.5211 -0.5211 -0.4055 -0.4055 -0.2417 -0.2417 -0.1769 -0.1769 -0.0152 -0.0152 0.0323 0.0323 0.1022 0.1022 0.6809 0.6809 0.7425 0.7425 0.9633 0.9633 1.0196 1.0196 1.0890 1.0890 1.2528 1.2528 1.2705 1.2705 1.3931 1.3931 1.4443 1.4443 1.5759 1.5759 1.7102 1.7102 1.7348 1.7348 1.8890 1.8890 1.9242 1.9242 2.0166 2.0166 2.1258 2.1258 2.2419 2.2419 2.3370 2.3370 2.4350 2.4350 2.5478 2.5478 2.6224 2.6224 2.7188 2.7188 2.8711 2.8711 2.9121 2.9121 5.1397 5.1397 5.2096 5.2096 5.3430 5.3430 5.4332 5.4332 5.5825 5.5825 5.6304 5.6304 5.7408 5.7408 5.8533 5.8533 5.9752 5.9752 6.0741 6.0741 k = 0.0000 0.2380 0.6481 ( 17105 PWs) bands (ev): -9.7589 -9.7589 -9.7381 -9.7381 -9.5095 -9.5095 -9.4967 -9.4967 -8.9513 -8.9513 -8.9188 -8.9188 -8.8219 -8.8219 -8.7633 -8.7633 -8.7437 -8.7437 -8.7013 -8.7013 -8.6300 -8.6300 -8.6222 -8.6222 -5.4869 -5.4869 -5.4554 -5.4554 -5.2229 -5.2229 -5.1113 -5.1113 -1.0444 -1.0444 -0.9706 -0.9706 -0.7859 -0.7859 -0.6704 -0.6704 -0.6370 -0.6370 -0.5059 -0.5059 -0.4172 -0.4172 -0.2449 -0.2449 -0.1799 -0.1799 -0.0151 -0.0151 0.0339 0.0339 0.1158 0.1158 0.6753 0.6753 0.7394 0.7394 0.9506 0.9506 1.0101 1.0101 1.0915 1.0915 1.2494 1.2494 1.2846 1.2846 1.4060 1.4060 1.4455 1.4455 1.5935 1.5935 1.7109 1.7109 1.7271 1.7271 1.8941 1.8941 1.9291 1.9291 2.0109 2.0109 2.1322 2.1322 2.2297 2.2297 2.3260 2.3260 2.4289 2.4289 2.5487 2.5487 2.6109 2.6109 2.7104 2.7104 2.8607 2.8607 2.9079 2.9079 5.1382 5.1382 5.2126 5.2126 5.3296 5.3296 5.4305 5.4305 5.5758 5.5758 5.6223 5.6223 5.7481 5.7481 5.8556 5.8556 5.9766 5.9766 6.0789 6.0789 k = 0.0000 0.2720 0.6481 ( 17104 PWs) bands (ev): -9.7559 -9.7559 -9.7309 -9.7309 -9.5076 -9.5076 -9.4926 -9.4926 -8.9523 -8.9523 -8.9151 -8.9151 -8.8337 -8.8337 -8.7704 -8.7704 -8.7468 -8.7468 -8.7004 -8.7004 -8.6347 -8.6347 -8.6259 -8.6259 -5.4857 -5.4857 -5.4491 -5.4491 -5.2277 -5.2277 -5.1005 -5.1005 -1.0467 -1.0467 -0.9699 -0.9699 -0.7835 -0.7835 -0.6580 -0.6580 -0.6286 -0.6286 -0.4932 -0.4932 -0.4245 -0.4245 -0.2497 -0.2497 -0.1814 -0.1814 -0.0167 -0.0167 0.0345 0.0345 0.1303 0.1303 0.6702 0.6702 0.7341 0.7341 0.9405 0.9405 1.0035 1.0035 1.0957 1.0957 1.2445 1.2445 1.2955 1.2955 1.4206 1.4206 1.4490 1.4490 1.6087 1.6087 1.7066 1.7066 1.7218 1.7218 1.8985 1.8985 1.9335 1.9335 2.0060 2.0060 2.1378 2.1378 2.2197 2.2197 2.3148 2.3148 2.4223 2.4223 2.5450 2.5450 2.6028 2.6028 2.6996 2.6996 2.8496 2.8496 2.9048 2.9048 5.1371 5.1371 5.2147 5.2147 5.3175 5.3175 5.4259 5.4259 5.5686 5.5686 5.6197 5.6197 5.7513 5.7513 5.8562 5.8562 5.9798 5.9798 6.0823 6.0823 k = 0.0000 0.3060 0.6481 ( 17097 PWs) bands (ev): -9.7529 -9.7529 -9.7230 -9.7230 -9.5054 -9.5054 -9.4882 -9.4882 -8.9533 -8.9533 -8.9114 -8.9114 -8.8453 -8.8453 -8.7777 -8.7777 -8.7505 -8.7505 -8.7002 -8.7002 -8.6397 -8.6397 -8.6299 -8.6299 -5.4844 -5.4844 -5.4424 -5.4424 -5.2323 -5.2323 -5.0898 -5.0898 -1.0481 -1.0481 -0.9697 -0.9697 -0.7810 -0.7810 -0.6483 -0.6483 -0.6162 -0.6162 -0.4853 -0.4853 -0.4250 -0.4250 -0.2544 -0.2544 -0.1826 -0.1826 -0.0191 -0.0191 0.0337 0.0337 0.1448 0.1448 0.6654 0.6654 0.7271 0.7271 0.9325 0.9325 1.0000 1.0000 1.1019 1.1019 1.2400 1.2400 1.3022 1.3022 1.4331 1.4331 1.4565 1.4565 1.6208 1.6208 1.6965 1.6965 1.7208 1.7208 1.9015 1.9015 1.9376 1.9376 2.0009 2.0009 2.1425 2.1425 2.2124 2.2124 2.3050 2.3050 2.4149 2.4149 2.5378 2.5378 2.5976 2.5976 2.6873 2.6873 2.8378 2.8378 2.9028 2.9028 5.1359 5.1359 5.2160 5.2160 5.3072 5.3072 5.4196 5.4196 5.5626 5.5626 5.6204 5.6204 5.7492 5.7492 5.8563 5.8563 5.9841 5.9841 6.0854 6.0854 k = 0.0000 0.3400 0.6481 ( 17116 PWs) bands (ev): -9.7498 -9.7498 -9.7145 -9.7145 -9.5031 -9.5031 -9.4835 -9.4835 -8.9541 -8.9541 -8.9079 -8.9079 -8.8564 -8.8564 -8.7852 -8.7852 -8.7550 -8.7550 -8.7007 -8.7007 -8.6449 -8.6449 -8.6343 -8.6343 -5.4829 -5.4829 -5.4354 -5.4354 -5.2367 -5.2367 -5.0792 -5.0792 -1.0486 -1.0486 -0.9699 -0.9699 -0.7786 -0.7786 -0.6398 -0.6398 -0.6019 -0.6019 -0.4829 -0.4829 -0.4182 -0.4182 -0.2582 -0.2582 -0.1841 -0.1841 -0.0218 -0.0218 0.0322 0.0322 0.1583 0.1583 0.6606 0.6606 0.7194 0.7194 0.9268 0.9268 0.9990 0.9990 1.1103 1.1103 1.2365 1.2365 1.3057 1.3057 1.4389 1.4389 1.4688 1.4688 1.6295 1.6295 1.6857 1.6857 1.7207 1.7207 1.9021 1.9021 1.9416 1.9416 1.9948 1.9948 2.1468 2.1468 2.2071 2.2071 2.2979 2.2979 2.4068 2.4068 2.5292 2.5292 2.5934 2.5934 2.6742 2.6742 2.8258 2.8258 2.9014 2.9014 5.1342 5.1342 5.2171 5.2171 5.2993 5.2993 5.4123 5.4123 5.5586 5.5586 5.6228 5.6228 5.7414 5.7414 5.8568 5.8568 5.9884 5.9884 6.0889 6.0889 k = 0.0000 0.3740 0.6481 ( 17118 PWs) bands (ev): -9.7470 -9.7470 -9.7054 -9.7054 -9.5006 -9.5006 -9.4788 -9.4788 -8.9549 -8.9549 -8.9050 -8.9050 -8.8665 -8.8665 -8.7925 -8.7925 -8.7600 -8.7600 -8.7017 -8.7017 -8.6502 -8.6502 -8.6388 -8.6388 -5.4815 -5.4815 -5.4282 -5.4282 -5.2410 -5.2410 -5.0688 -5.0688 -1.0483 -1.0483 -0.9703 -0.9703 -0.7763 -0.7763 -0.6318 -0.6318 -0.5874 -0.5874 -0.4835 -0.4835 -0.4068 -0.4068 -0.2607 -0.2607 -0.1862 -0.1862 -0.0247 -0.0247 0.0309 0.0309 0.1704 0.1704 0.6552 0.6552 0.7122 0.7122 0.9238 0.9238 0.9993 0.9993 1.1206 1.1206 1.2342 1.2342 1.3075 1.3075 1.4388 1.4388 1.4813 1.4813 1.6347 1.6347 1.6777 1.6777 1.7207 1.7207 1.8999 1.8999 1.9445 1.9445 1.9886 1.9886 2.1515 2.1515 2.2030 2.2030 2.2942 2.2942 2.3981 2.3981 2.5211 2.5211 2.5888 2.5888 2.6612 2.6612 2.8139 2.8139 2.9001 2.9001 5.1317 5.1317 5.2182 5.2182 5.2942 5.2942 5.4047 5.4047 5.5564 5.5564 5.6255 5.6255 5.7286 5.7286 5.8582 5.8582 5.9912 5.9912 6.0941 6.0941 k = 0.0000 0.4081 0.6481 ( 17117 PWs) bands (ev): -9.7446 -9.7446 -9.6957 -9.6957 -9.4980 -9.4980 -9.4739 -9.4739 -8.9557 -8.9557 -8.9035 -8.9035 -8.8745 -8.8745 -8.7996 -8.7996 -8.7655 -8.7655 -8.7031 -8.7031 -8.6555 -8.6555 -8.6435 -8.6435 -5.4800 -5.4800 -5.4207 -5.4207 -5.2454 -5.2454 -5.0589 -5.0589 -1.0474 -1.0474 -0.9709 -0.9709 -0.7742 -0.7742 -0.6241 -0.6241 -0.5736 -0.5736 -0.4843 -0.4843 -0.3939 -0.3939 -0.2618 -0.2618 -0.1889 -0.1889 -0.0280 -0.0280 0.0308 0.0308 0.1806 0.1806 0.6484 0.6484 0.7071 0.7071 0.9236 0.9236 1.0000 1.0000 1.1325 1.1325 1.2330 1.2330 1.3091 1.3091 1.4342 1.4342 1.4887 1.4887 1.6365 1.6365 1.6748 1.6748 1.7215 1.7215 1.8943 1.8943 1.9439 1.9439 1.9844 1.9844 2.1579 2.1579 2.1995 2.1995 2.2933 2.2933 2.3896 2.3896 2.5146 2.5146 2.5834 2.5834 2.6486 2.6486 2.8023 2.8023 2.8984 2.8984 5.1283 5.1283 5.2192 5.2192 5.2919 5.2919 5.3977 5.3977 5.5553 5.5553 5.6273 5.6273 5.7125 5.7125 5.8602 5.8602 5.9916 5.9916 6.1021 6.1021 k = 0.0000 0.4421 0.6481 ( 17113 PWs) bands (ev): -9.7427 -9.7427 -9.6857 -9.6857 -9.4952 -9.4952 -9.4691 -9.4691 -8.9565 -8.9565 -8.9050 -8.9050 -8.8789 -8.8789 -8.8062 -8.8062 -8.7713 -8.7713 -8.7050 -8.7050 -8.6606 -8.6606 -8.6484 -8.6484 -5.4787 -5.4787 -5.4131 -5.4131 -5.2498 -5.2498 -5.0495 -5.0495 -1.0460 -1.0460 -0.9715 -0.9715 -0.7722 -0.7722 -0.6174 -0.6174 -0.5607 -0.5607 -0.4837 -0.4837 -0.3814 -0.3814 -0.2616 -0.2616 -0.1920 -0.1920 -0.0314 -0.0314 0.0328 0.0328 0.1888 0.1888 0.6399 0.6399 0.7050 0.7050 0.9262 0.9262 1.0004 1.0004 1.1450 1.1450 1.2323 1.2323 1.3118 1.3118 1.4260 1.4260 1.4887 1.4887 1.6343 1.6343 1.6782 1.6782 1.7244 1.7244 1.8856 1.8856 1.9387 1.9387 1.9838 1.9838 2.1657 2.1657 2.1972 2.1972 2.2940 2.2940 2.3819 2.3819 2.5100 2.5100 2.5769 2.5769 2.6366 2.6366 2.7912 2.7912 2.8959 2.8959 5.1243 5.1243 5.2199 5.2199 5.2928 5.2928 5.3917 5.3917 5.5544 5.5544 5.6263 5.6263 5.6963 5.6963 5.8623 5.8623 5.9890 5.9890 6.1130 6.1130 k = 0.0000 0.4761 0.6481 ( 17121 PWs) bands (ev): -9.7416 -9.7416 -9.6753 -9.6753 -9.4924 -9.4924 -9.4643 -9.4643 -8.9573 -8.9573 -8.9100 -8.9100 -8.8793 -8.8793 -8.8120 -8.8120 -8.7774 -8.7774 -8.7071 -8.7071 -8.6656 -8.6656 -8.6533 -8.6533 -5.4776 -5.4776 -5.4054 -5.4054 -5.2543 -5.2543 -5.0408 -5.0408 -1.0441 -1.0441 -0.9721 -0.9721 -0.7703 -0.7703 -0.6122 -0.6122 -0.5491 -0.5491 -0.4809 -0.4809 -0.3704 -0.3704 -0.2602 -0.2602 -0.1956 -0.1956 -0.0348 -0.0348 0.0372 0.0372 0.1950 0.1950 0.6297 0.6297 0.7061 0.7061 0.9313 0.9313 1.0008 1.0008 1.1564 1.1564 1.2312 1.2312 1.3168 1.3168 1.4149 1.4149 1.4818 1.4818 1.6276 1.6276 1.6868 1.6868 1.7302 1.7302 1.8748 1.8748 1.9304 1.9304 1.9854 1.9854 2.1725 2.1725 2.1991 2.1991 2.2951 2.2951 2.3751 2.3751 2.5076 2.5076 2.5698 2.5698 2.6250 2.6250 2.7806 2.7806 2.8923 2.8923 5.1199 5.1199 5.2194 5.2194 5.2970 5.2970 5.3871 5.3871 5.5520 5.5520 5.6204 5.6204 5.6844 5.6844 5.8640 5.8640 5.9838 5.9838 6.1252 6.1252 k = 0.0000 0.5101 0.6481 ( 17122 PWs) bands (ev): -9.7415 -9.7415 -9.6647 -9.6647 -9.4896 -9.4896 -9.4597 -9.4597 -8.9581 -8.9581 -8.9167 -8.9167 -8.8772 -8.8772 -8.8167 -8.8167 -8.7837 -8.7837 -8.7094 -8.7094 -8.6703 -8.6703 -8.6583 -8.6583 -5.4766 -5.4766 -5.3977 -5.3977 -5.2589 -5.2589 -5.0328 -5.0328 -1.0418 -1.0418 -0.9727 -0.9727 -0.7686 -0.7686 -0.6087 -0.6087 -0.5391 -0.5391 -0.4755 -0.4755 -0.3616 -0.3616 -0.2576 -0.2576 -0.1996 -0.1996 -0.0375 -0.0375 0.0442 0.0442 0.1995 0.1995 0.6186 0.6186 0.7100 0.7100 0.9378 0.9378 1.0017 1.0017 1.1653 1.1653 1.2290 1.2290 1.3243 1.3243 1.4020 1.4020 1.4707 1.4707 1.6174 1.6174 1.6981 1.6981 1.7386 1.7386 1.8638 1.8638 1.9206 1.9206 1.9876 1.9876 2.1748 2.1748 2.2084 2.2084 2.2961 2.2961 2.3691 2.3691 2.5070 2.5070 2.5624 2.5624 2.6137 2.6137 2.7706 2.7706 2.8875 2.8875 5.1158 5.1158 5.2172 5.2172 5.3041 5.3041 5.3845 5.3845 5.5456 5.5456 5.6105 5.6105 5.6792 5.6792 5.8649 5.8649 5.9767 5.9767 6.1294 6.1294 k = 0.0000 0.5441 0.6481 ( 17122 PWs) bands (ev): -9.7425 -9.7425 -9.6539 -9.6539 -9.4866 -9.4866 -9.4555 -9.4555 -8.9588 -8.9588 -8.9238 -8.9238 -8.8743 -8.8743 -8.8201 -8.8201 -8.7899 -8.7899 -8.7118 -8.7118 -8.6747 -8.6747 -8.6632 -8.6632 -5.4760 -5.4760 -5.3902 -5.3902 -5.2638 -5.2638 -5.0258 -5.0258 -1.0394 -1.0394 -0.9732 -0.9732 -0.7670 -0.7670 -0.6071 -0.6071 -0.5313 -0.5313 -0.4673 -0.4673 -0.3553 -0.3553 -0.2542 -0.2542 -0.2038 -0.2038 -0.0392 -0.0392 0.0535 0.0535 0.2025 0.2025 0.6073 0.6073 0.7163 0.7163 0.9442 0.9442 1.0043 1.0043 1.1704 1.1704 1.2251 1.2251 1.3334 1.3334 1.3884 1.3884 1.4594 1.4594 1.6052 1.6052 1.7091 1.7091 1.7483 1.7483 1.8551 1.8551 1.9098 1.9098 1.9897 1.9897 2.1743 2.1743 2.2227 2.2227 2.2973 2.2973 2.3636 2.3636 2.5077 2.5077 2.5553 2.5553 2.6027 2.6027 2.7613 2.7613 2.8812 2.8812 5.1120 5.1120 5.2131 5.2131 5.3127 5.3127 5.3843 5.3843 5.5325 5.5325 5.6020 5.6020 5.6790 5.6790 5.8646 5.8646 5.9686 5.9686 6.1196 6.1196 k = 0.0000 0.5781 0.6481 ( 17106 PWs) bands (ev): -9.7447 -9.7447 -9.6431 -9.6431 -9.4837 -9.4837 -9.4515 -9.4515 -8.9594 -8.9594 -8.9306 -8.9306 -8.8710 -8.8710 -8.8220 -8.8220 -8.7960 -8.7960 -8.7143 -8.7143 -8.6787 -8.6787 -8.6679 -8.6679 -5.4757 -5.4757 -5.3827 -5.3827 -5.2689 -5.2689 -5.0198 -5.0198 -1.0367 -1.0367 -0.9736 -0.9736 -0.7657 -0.7657 -0.6071 -0.6071 -0.5262 -0.5262 -0.4566 -0.4566 -0.3515 -0.3515 -0.2502 -0.2502 -0.2079 -0.2079 -0.0397 -0.0397 0.0646 0.0646 0.2046 0.2046 0.5964 0.5964 0.7244 0.7244 0.9488 0.9488 1.0096 1.0096 1.1710 1.1710 1.2195 1.2195 1.3409 1.3409 1.3747 1.3747 1.4527 1.4527 1.5934 1.5934 1.7184 1.7184 1.7568 1.7568 1.8506 1.8506 1.8981 1.8981 1.9918 1.9918 2.1737 2.1737 2.2380 2.2380 2.2993 2.2993 2.3584 2.3584 2.5084 2.5084 2.5490 2.5490 2.5924 2.5924 2.7526 2.7526 2.8735 2.8735 5.1087 5.1087 5.2074 5.2074 5.3208 5.3208 5.3874 5.3874 5.5137 5.5137 5.5977 5.5977 5.6810 5.6810 5.8629 5.8629 5.9604 5.9604 6.1058 6.1058 k = 0.0000 0.6121 0.6481 ( 17111 PWs) bands (ev): -9.7483 -9.7483 -9.6324 -9.6324 -9.4807 -9.4807 -9.4480 -9.4480 -8.9600 -8.9600 -8.9368 -8.9368 -8.8676 -8.8676 -8.8224 -8.8224 -8.8019 -8.8019 -8.7168 -8.7168 -8.6821 -8.6821 -8.6726 -8.6726 -5.4757 -5.4757 -5.3756 -5.3756 -5.2742 -5.2742 -5.0149 -5.0149 -1.0339 -1.0339 -0.9739 -0.9739 -0.7648 -0.7648 -0.6085 -0.6085 -0.5236 -0.5236 -0.4444 -0.4444 -0.3496 -0.3496 -0.2464 -0.2464 -0.2117 -0.2117 -0.0390 -0.0390 0.0770 0.0770 0.2065 0.2065 0.5863 0.5863 0.7339 0.7339 0.9506 0.9506 1.0179 1.0179 1.1661 1.1661 1.2138 1.2138 1.3405 1.3405 1.3648 1.3648 1.4537 1.4537 1.5845 1.5845 1.7249 1.7249 1.7627 1.7627 1.8498 1.8498 1.8868 1.8868 1.9942 1.9942 2.1738 2.1738 2.2512 2.2512 2.3033 2.3033 2.3539 2.3539 2.5073 2.5073 2.5441 2.5441 2.5834 2.5834 2.7447 2.7447 2.8645 2.8645 5.1059 5.1059 5.2004 5.2004 5.3259 5.3259 5.3938 5.3938 5.4937 5.4937 5.5963 5.5963 5.6839 5.6839 5.8599 5.8599 5.9528 5.9528 6.0907 6.0907 k = 0.0000 0.6121 0.6481 ( 17111 PWs) bands (ev): -9.7483 -9.7483 -9.6324 -9.6324 -9.4807 -9.4807 -9.4480 -9.4480 -8.9600 -8.9600 -8.9368 -8.9368 -8.8676 -8.8676 -8.8224 -8.8224 -8.8019 -8.8019 -8.7168 -8.7168 -8.6821 -8.6821 -8.6726 -8.6726 -5.4757 -5.4757 -5.3756 -5.3756 -5.2742 -5.2742 -5.0149 -5.0149 -1.0339 -1.0339 -0.9739 -0.9739 -0.7648 -0.7648 -0.6085 -0.6085 -0.5236 -0.5236 -0.4444 -0.4444 -0.3496 -0.3496 -0.2464 -0.2464 -0.2117 -0.2117 -0.0390 -0.0390 0.0770 0.0770 0.2065 0.2065 0.5863 0.5863 0.7339 0.7339 0.9506 0.9506 1.0179 1.0179 1.1661 1.1661 1.2138 1.2138 1.3405 1.3405 1.3648 1.3648 1.4537 1.4537 1.5845 1.5845 1.7249 1.7249 1.7627 1.7627 1.8498 1.8498 1.8868 1.8868 1.9942 1.9942 2.1738 2.1738 2.2512 2.2512 2.3033 2.3033 2.3539 2.3539 2.5073 2.5073 2.5441 2.5441 2.5834 2.5834 2.7447 2.7447 2.8645 2.8645 5.1059 5.1059 5.2004 5.2004 5.3259 5.3259 5.3938 5.3938 5.4937 5.4937 5.5963 5.5963 5.6839 5.6839 5.8599 5.8599 5.9528 5.9528 6.0907 6.0907 k = 0.0000 0.6273 0.6180 ( 17118 PWs) bands (ev): -9.7412 -9.7412 -9.6410 -9.6410 -9.4763 -9.4763 -9.4456 -9.4456 -8.9562 -8.9562 -8.9390 -8.9390 -8.8587 -8.8587 -8.8276 -8.8276 -8.8103 -8.8103 -8.7198 -8.7198 -8.6842 -8.6842 -8.6735 -8.6735 -5.4684 -5.4684 -5.3801 -5.3801 -5.2628 -5.2628 -5.0265 -5.0265 -1.0289 -1.0289 -0.9749 -0.9749 -0.7424 -0.7424 -0.6044 -0.6044 -0.5253 -0.5253 -0.4319 -0.4319 -0.3488 -0.3488 -0.2543 -0.2543 -0.2100 -0.2100 -0.0466 -0.0466 0.0794 0.0794 0.2106 0.2106 0.5878 0.5878 0.7317 0.7317 0.9384 0.9384 1.0105 1.0105 1.1546 1.1546 1.2025 1.2025 1.3455 1.3455 1.3634 1.3634 1.4675 1.4675 1.5850 1.5850 1.7175 1.7175 1.7657 1.7657 1.8495 1.8495 1.8754 1.8754 1.9995 1.9995 2.1716 2.1716 2.2554 2.2554 2.3019 2.3019 2.3560 2.3560 2.4944 2.4944 2.5390 2.5390 2.5719 2.5719 2.7419 2.7419 2.8577 2.8577 5.1048 5.1048 5.1962 5.1962 5.3352 5.3352 5.4047 5.4047 5.4957 5.4957 5.6020 5.6020 5.6892 5.6892 5.8645 5.8645 5.9733 5.9733 6.1072 6.1072 k = 0.0000 0.6424 0.5878 ( 17119 PWs) bands (ev): -9.7347 -9.7347 -9.6491 -9.6491 -9.4718 -9.4718 -9.4436 -9.4436 -8.9524 -8.9524 -8.9406 -8.9406 -8.8496 -8.8496 -8.8322 -8.8322 -8.8186 -8.8186 -8.7239 -8.7239 -8.6858 -8.6858 -8.6746 -8.6746 -5.4613 -5.4613 -5.3847 -5.3847 -5.2507 -5.2507 -5.0391 -5.0391 -1.0238 -1.0238 -0.9759 -0.9759 -0.7203 -0.7203 -0.5998 -0.5998 -0.5281 -0.5281 -0.4183 -0.4183 -0.3516 -0.3516 -0.2642 -0.2642 -0.2030 -0.2030 -0.0547 -0.0547 0.0827 0.0827 0.2127 0.2127 0.5897 0.5897 0.7273 0.7273 0.9284 0.9284 1.0038 1.0038 1.1449 1.1449 1.1919 1.1919 1.3491 1.3491 1.3641 1.3641 1.4826 1.4826 1.5860 1.5860 1.7087 1.7087 1.7658 1.7658 1.8467 1.8467 1.8680 1.8680 2.0076 2.0076 2.1688 2.1688 2.2565 2.2565 2.3007 2.3007 2.3597 2.3597 2.4818 2.4818 2.5318 2.5318 2.5630 2.5630 2.7400 2.7400 2.8483 2.8483 5.1054 5.1054 5.1917 5.1917 5.3453 5.3453 5.4154 5.4154 5.4974 5.4974 5.6025 5.6025 5.6998 5.6998 5.8669 5.8669 5.9946 5.9946 6.1206 6.1206 k = 0.0000 0.6576 0.5577 ( 17133 PWs) bands (ev): -9.7286 -9.7286 -9.6569 -9.6569 -9.4671 -9.4671 -9.4421 -9.4421 -8.9486 -8.9486 -8.9416 -8.9416 -8.8431 -8.8431 -8.8337 -8.8337 -8.8266 -8.8266 -8.7290 -8.7290 -8.6868 -8.6868 -8.6758 -8.6758 -5.4543 -5.4543 -5.3894 -5.3894 -5.2378 -5.2378 -5.0528 -5.0528 -1.0188 -1.0188 -0.9771 -0.9771 -0.6991 -0.6991 -0.5948 -0.5948 -0.5309 -0.5309 -0.4051 -0.4051 -0.3577 -0.3577 -0.2723 -0.2723 -0.1942 -0.1942 -0.0635 -0.0635 0.0876 0.0876 0.2121 0.2121 0.5924 0.5924 0.7197 0.7197 0.9219 0.9219 0.9975 0.9975 1.1373 1.1373 1.1819 1.1819 1.3514 1.3514 1.3661 1.3661 1.4987 1.4987 1.5876 1.5876 1.7001 1.7001 1.7615 1.7615 1.8411 1.8411 1.8653 1.8653 2.0188 2.0188 2.1661 2.1661 2.2542 2.2542 2.2995 2.2995 2.3644 2.3644 2.4696 2.4696 2.5232 2.5232 2.5563 2.5563 2.7393 2.7393 2.8370 2.8370 5.1077 5.1077 5.1871 5.1871 5.3560 5.3560 5.4249 5.4249 5.4993 5.4993 5.5985 5.5985 5.7151 5.7151 5.8674 5.8674 6.0155 6.0155 6.1302 6.1302 k = 0.0000 0.6728 0.5275 ( 17150 PWs) bands (ev): -9.7228 -9.7228 -9.6643 -9.6643 -9.4625 -9.4625 -9.4411 -9.4411 -8.9452 -8.9452 -8.9418 -8.9418 -8.8445 -8.8445 -8.8345 -8.8345 -8.8263 -8.8263 -8.7351 -8.7351 -8.6873 -8.6873 -8.6772 -8.6772 -5.4476 -5.4476 -5.3940 -5.3940 -5.2242 -5.2242 -5.0674 -5.0674 -1.0138 -1.0138 -0.9785 -0.9785 -0.6792 -0.6792 -0.5903 -0.5903 -0.5323 -0.5323 -0.3969 -0.3969 -0.3628 -0.3628 -0.2781 -0.2781 -0.1846 -0.1846 -0.0731 -0.0731 0.0944 0.0944 0.2086 0.2086 0.5962 0.5962 0.7090 0.7090 0.9195 0.9195 0.9911 0.9911 1.1320 1.1320 1.1727 1.1727 1.3531 1.3531 1.3683 1.3683 1.5156 1.5156 1.5897 1.5897 1.6923 1.6923 1.7525 1.7525 1.8359 1.8359 1.8640 1.8640 2.0329 2.0329 2.1641 2.1641 2.2494 2.2494 2.2972 2.2972 2.3696 2.3696 2.4578 2.4578 2.5154 2.5154 2.5506 2.5506 2.7400 2.7400 2.8245 2.8245 5.1117 5.1117 5.1820 5.1820 5.3670 5.3670 5.4321 5.4321 5.5023 5.5023 5.5916 5.5916 5.7332 5.7332 5.8659 5.8659 6.0354 6.0354 6.1354 6.1354 k = 0.0000 0.6880 0.4973 ( 17143 PWs) bands (ev): -9.7173 -9.7173 -9.6713 -9.6713 -9.4581 -9.4581 -9.4406 -9.4406 -8.9422 -8.9422 -8.9413 -8.9413 -8.8480 -8.8480 -8.8412 -8.8412 -8.8166 -8.8166 -8.7420 -8.7420 -8.6873 -8.6873 -8.6786 -8.6786 -5.4413 -5.4413 -5.3988 -5.3988 -5.2099 -5.2099 -5.0826 -5.0826 -1.0090 -1.0090 -0.9803 -0.9803 -0.6612 -0.6612 -0.5878 -0.5878 -0.5300 -0.5300 -0.4022 -0.4022 -0.3578 -0.3578 -0.2827 -0.2827 -0.1746 -0.1746 -0.0835 -0.0835 0.1034 0.1034 0.2021 0.2021 0.6014 0.6014 0.6959 0.6959 0.9211 0.9211 0.9843 0.9843 1.1289 1.1289 1.1641 1.1641 1.3547 1.3547 1.3696 1.3696 1.5327 1.5327 1.5921 1.5921 1.6860 1.6860 1.7399 1.7399 1.8331 1.8331 1.8618 1.8618 2.0495 2.0495 2.1625 2.1625 2.2437 2.2437 2.2927 2.2927 2.3752 2.3752 2.4465 2.4465 2.5101 2.5101 2.5449 2.5449 2.7421 2.7421 2.8115 2.8115 5.1172 5.1172 5.1764 5.1764 5.3781 5.3781 5.4358 5.4358 5.5073 5.5073 5.5833 5.5833 5.7526 5.7526 5.8623 5.8623 6.0539 6.0539 6.1362 6.1362 k = 0.0000 0.7031 0.4672 ( 17145 PWs) bands (ev): -9.7120 -9.7120 -9.6779 -9.6779 -9.4540 -9.4540 -9.4407 -9.4407 -8.9405 -8.9405 -8.9396 -8.9396 -8.8514 -8.8514 -8.8470 -8.8470 -8.8064 -8.8064 -8.7497 -8.7497 -8.6869 -8.6869 -8.6801 -8.6801 -5.4352 -5.4352 -5.4036 -5.4036 -5.1949 -5.1949 -5.0984 -5.0984 -1.0043 -1.0043 -0.9825 -0.9825 -0.6454 -0.6454 -0.5889 -0.5889 -0.5223 -0.5223 -0.4171 -0.4171 -0.3458 -0.3458 -0.2875 -0.2875 -0.1641 -0.1641 -0.0947 -0.0947 0.1143 0.1143 0.1929 0.1929 0.6082 0.6082 0.6814 0.6814 0.9258 0.9258 0.9768 0.9768 1.1280 1.1280 1.1562 1.1562 1.3568 1.3568 1.3698 1.3698 1.5495 1.5495 1.5940 1.5940 1.6816 1.6816 1.7254 1.7254 1.8327 1.8327 1.8582 1.8582 2.0681 2.0681 2.1598 2.1598 2.2392 2.2392 2.2854 2.2854 2.3814 2.3814 2.4355 2.4355 2.5081 2.5081 2.5386 2.5386 2.7459 2.7459 2.7987 2.7987 5.1240 5.1240 5.1702 5.1702 5.3889 5.3889 5.4357 5.4357 5.5146 5.5146 5.5741 5.5741 5.7721 5.7721 5.8564 5.8564 6.0707 6.0707 6.1332 6.1332 k = 0.0000 0.7183 0.4370 ( 17148 PWs) bands (ev): -9.7066 -9.7066 -9.6841 -9.6841 -9.4504 -9.4504 -9.4414 -9.4414 -8.9393 -8.9393 -8.9380 -8.9380 -8.8540 -8.8540 -8.8515 -8.8515 -8.7962 -8.7962 -8.7581 -8.7581 -8.6862 -8.6862 -8.6815 -8.6815 -5.4294 -5.4294 -5.4084 -5.4084 -5.1794 -5.1794 -5.1145 -5.1145 -0.9998 -0.9998 -0.9851 -0.9851 -0.6316 -0.6316 -0.5935 -0.5935 -0.5093 -0.5093 -0.4353 -0.4353 -0.3328 -0.3328 -0.2933 -0.2933 -0.1532 -0.1532 -0.1064 -0.1064 0.1268 0.1268 0.1815 0.1815 0.6168 0.6168 0.6666 0.6666 0.9328 0.9328 0.9685 0.9685 1.1290 1.1290 1.1488 1.1488 1.3591 1.3591 1.3688 1.3688 1.5650 1.5650 1.5947 1.5947 1.6799 1.6799 1.7107 1.7107 1.8344 1.8344 1.8534 1.8534 2.0877 2.0877 2.1534 2.1534 2.2387 2.2387 2.2754 2.2754 2.3884 2.3884 2.4249 2.4249 2.5093 2.5093 2.5319 2.5319 2.7511 2.7511 2.7866 2.7866 5.1316 5.1316 5.1633 5.1633 5.3994 5.3994 5.4321 5.4321 5.5237 5.5237 5.5645 5.5645 5.7909 5.7909 5.8481 5.8481 6.0857 6.0857 6.1275 6.1275 k = 0.0000 0.7335 0.4068 ( 17160 PWs) bands (ev): -9.7013 -9.7013 -9.6901 -9.6901 -9.4472 -9.4472 -9.4427 -9.4427 -8.9382 -8.9382 -8.9373 -8.9373 -8.8555 -8.8555 -8.8544 -8.8544 -8.7862 -8.7862 -8.7670 -8.7670 -8.6853 -8.6853 -8.6829 -8.6829 -5.4239 -5.4239 -5.4134 -5.4134 -5.1634 -5.1634 -5.1308 -5.1308 -0.9956 -0.9956 -0.9882 -0.9882 -0.6198 -0.6198 -0.6006 -0.6006 -0.4928 -0.4928 -0.4547 -0.4547 -0.3205 -0.3205 -0.3006 -0.3006 -0.1419 -0.1419 -0.1183 -0.1183 0.1404 0.1404 0.1685 0.1685 0.6271 0.6271 0.6522 0.6522 0.9412 0.9412 0.9596 0.9596 1.1320 1.1320 1.1422 1.1422 1.3617 1.3617 1.3669 1.3669 1.5780 1.5780 1.5929 1.5929 1.6816 1.6816 1.6975 1.6975 1.8378 1.8378 1.8479 1.8479 2.1075 2.1075 2.1420 2.1420 2.2435 2.2435 2.2639 2.2639 2.3964 2.3964 2.4148 2.4148 2.5130 2.5130 2.5250 2.5250 2.7578 2.7578 2.7757 2.7757 5.1396 5.1396 5.1558 5.1558 5.4092 5.4092 5.4261 5.4261 5.5337 5.5337 5.5544 5.5544 5.8083 5.8083 5.8372 5.8372 6.0988 6.0988 6.1197 6.1197 k = 0.0000 0.7487 0.3767 ( 17164 PWs) bands (ev): -9.6958 -9.6958 -9.6958 -9.6958 -9.4447 -9.4447 -9.4447 -9.4447 -8.9374 -8.9374 -8.9374 -8.9374 -8.8557 -8.8557 -8.8557 -8.8557 -8.7764 -8.7764 -8.7764 -8.7764 -8.6842 -8.6842 -8.6842 -8.6842 -5.4185 -5.4185 -5.4185 -5.4185 -5.1472 -5.1472 -5.1472 -5.1472 -0.9917 -0.9917 -0.9917 -0.9917 -0.6094 -0.6094 -0.6094 -0.6094 -0.4742 -0.4742 -0.4742 -0.4742 -0.3097 -0.3097 -0.3097 -0.3097 -0.1302 -0.1302 -0.1302 -0.1302 0.1546 0.1546 0.1546 0.1546 0.6390 0.6390 0.6390 0.6390 0.9504 0.9504 0.9504 0.9504 1.1365 1.1365 1.1365 1.1365 1.3644 1.3644 1.3644 1.3644 1.5875 1.5875 1.5875 1.5875 1.6875 1.6875 1.6875 1.6875 1.8425 1.8425 1.8425 1.8425 2.1261 2.1261 2.1261 2.1261 2.2526 2.2526 2.2526 2.2526 2.4052 2.4052 2.4052 2.4052 2.5185 2.5185 2.5185 2.5185 2.7660 2.7660 2.7660 2.7660 5.1478 5.1478 5.1478 5.1478 5.4183 5.4183 5.4183 5.4183 5.5441 5.5441 5.5441 5.5441 5.8239 5.8239 5.8239 5.8239 6.1101 6.1101 6.1101 6.1101 k = 0.0000 0.7487 0.3767 ( 17164 PWs) bands (ev): -9.6958 -9.6958 -9.6958 -9.6958 -9.4447 -9.4447 -9.4447 -9.4447 -8.9374 -8.9374 -8.9374 -8.9374 -8.8557 -8.8557 -8.8557 -8.8557 -8.7764 -8.7764 -8.7764 -8.7764 -8.6842 -8.6842 -8.6842 -8.6842 -5.4185 -5.4185 -5.4185 -5.4185 -5.1472 -5.1472 -5.1472 -5.1472 -0.9917 -0.9917 -0.9917 -0.9917 -0.6094 -0.6094 -0.6094 -0.6094 -0.4742 -0.4742 -0.4742 -0.4742 -0.3097 -0.3097 -0.3097 -0.3097 -0.1302 -0.1302 -0.1302 -0.1302 0.1546 0.1546 0.1546 0.1546 0.6390 0.6390 0.6390 0.6390 0.9504 0.9504 0.9504 0.9504 1.1365 1.1365 1.1365 1.1365 1.3644 1.3644 1.3644 1.3644 1.5875 1.5875 1.5875 1.5875 1.6875 1.6875 1.6875 1.6875 1.8425 1.8425 1.8425 1.8425 2.1261 2.1261 2.1261 2.1261 2.2526 2.2526 2.2526 2.2526 2.4052 2.4052 2.4052 2.4052 2.5185 2.5185 2.5185 2.5185 2.7660 2.7660 2.7660 2.7660 5.1478 5.1478 5.1478 5.1478 5.4183 5.4183 5.4183 5.4183 5.5441 5.5441 5.5441 5.5441 5.8239 5.8239 5.8239 5.8239 6.1101 6.1101 6.1101 6.1101 k = 0.0333 0.7487 0.3767 ( 17156 PWs) bands (ev): -9.6955 -9.6955 -9.6954 -9.6954 -9.4452 -9.4452 -9.4451 -9.4451 -8.9381 -8.9381 -8.9373 -8.9373 -8.8553 -8.8553 -8.8545 -8.8545 -8.7772 -8.7772 -8.7765 -8.7765 -8.6843 -8.6843 -8.6838 -8.6838 -5.4185 -5.4185 -5.4181 -5.4181 -5.1476 -5.1476 -5.1473 -5.1473 -0.9912 -0.9912 -0.9905 -0.9905 -0.6107 -0.6107 -0.6093 -0.6093 -0.4755 -0.4755 -0.4731 -0.4731 -0.3111 -0.3111 -0.3102 -0.3102 -0.1418 -0.1418 -0.1240 -0.1240 0.1537 0.1537 0.1570 0.1570 0.6394 0.6394 0.6420 0.6420 0.9498 0.9498 0.9538 0.9538 1.1345 1.1345 1.1418 1.1418 1.3621 1.3621 1.3672 1.3672 1.5807 1.5807 1.5945 1.5945 1.6810 1.6810 1.6942 1.6942 1.8428 1.8428 1.8434 1.8434 2.1247 2.1247 2.1281 2.1281 2.2500 2.2500 2.2534 2.2534 2.4005 2.4005 2.4098 2.4098 2.5145 2.5145 2.5206 2.5206 2.7632 2.7632 2.7663 2.7663 5.1431 5.1431 5.1491 5.1491 5.4136 5.4136 5.4210 5.4210 5.5403 5.5403 5.5498 5.5498 5.8163 5.8163 5.8294 5.8294 6.1091 6.1091 6.1125 6.1125 k = 0.0667 0.7487 0.3767 ( 17152 PWs) bands (ev): -9.6946 -9.6946 -9.6945 -9.6945 -9.4468 -9.4468 -9.4466 -9.4466 -8.9394 -8.9394 -8.9379 -8.9379 -8.8532 -8.8532 -8.8516 -8.8516 -8.7787 -8.7787 -8.7775 -8.7775 -8.6842 -8.6842 -8.6833 -8.6833 -5.4181 -5.4181 -5.4172 -5.4172 -5.1485 -5.1485 -5.1480 -5.1480 -0.9891 -0.9891 -0.9878 -0.9878 -0.6132 -0.6132 -0.6103 -0.6103 -0.4770 -0.4770 -0.4723 -0.4723 -0.3141 -0.3141 -0.3128 -0.3128 -0.1578 -0.1578 -0.1230 -0.1230 0.1549 0.1549 0.1604 0.1604 0.6431 0.6431 0.6485 0.6485 0.9522 0.9522 0.9599 0.9599 1.1356 1.1356 1.1505 1.1505 1.3603 1.3603 1.3705 1.3705 1.5743 1.5743 1.6014 1.6014 1.6748 1.6748 1.7011 1.7011 1.8441 1.8441 1.8456 1.8456 2.1234 2.1234 2.1311 2.1311 2.2455 2.2455 2.2524 2.2524 2.3958 2.3958 2.4138 2.4138 2.5086 2.5086 2.5207 2.5207 2.7579 2.7579 2.7641 2.7641 5.1351 5.1351 5.1470 5.1470 5.4081 5.4081 5.4210 5.4210 5.5392 5.5392 5.5560 5.5560 5.8071 5.8071 5.8329 5.8329 6.1093 6.1093 6.1163 6.1163 k = 0.1000 0.7487 0.3767 ( 17148 PWs) bands (ev): -9.6931 -9.6931 -9.6930 -9.6930 -9.4493 -9.4493 -9.4491 -9.4491 -8.9410 -8.9410 -8.9390 -8.9390 -8.8496 -8.8496 -8.8473 -8.8473 -8.7809 -8.7809 -8.7792 -8.7792 -8.6839 -8.6839 -8.6826 -8.6826 -5.4172 -5.4172 -5.4158 -5.4158 -5.1500 -5.1500 -5.1491 -5.1491 -0.9853 -0.9853 -0.9835 -0.9835 -0.6168 -0.6168 -0.6126 -0.6126 -0.4785 -0.4785 -0.4721 -0.4721 -0.3184 -0.3184 -0.3177 -0.3177 -0.1768 -0.1768 -0.1264 -0.1264 0.1577 0.1577 0.1636 0.1636 0.6495 0.6495 0.6582 0.6582 0.9576 0.9576 0.9680 0.9680 1.1399 1.1399 1.1626 1.1626 1.3592 1.3592 1.3742 1.3742 1.5684 1.5684 1.6081 1.6081 1.6688 1.6688 1.7083 1.7083 1.8461 1.8461 1.8491 1.8491 2.1220 2.1220 2.1352 2.1352 2.2392 2.2392 2.2498 2.2498 2.3916 2.3916 2.4167 2.4167 2.5009 2.5009 2.5193 2.5193 2.7501 2.7501 2.7594 2.7594 5.1240 5.1240 5.1418 5.1418 5.4027 5.4027 5.4181 5.4181 5.5413 5.5413 5.5617 5.5617 5.7969 5.7969 5.8342 5.8342 6.1104 6.1104 6.1211 6.1211 k = 0.1333 0.7487 0.3767 ( 17150 PWs) bands (ev): -9.6910 -9.6910 -9.6908 -9.6908 -9.4527 -9.4527 -9.4524 -9.4524 -8.9428 -8.9428 -8.9403 -8.9403 -8.8448 -8.8448 -8.8421 -8.8421 -8.7837 -8.7837 -8.7815 -8.7815 -8.6836 -8.6836 -8.6819 -8.6819 -5.4159 -5.4159 -5.4141 -5.4141 -5.1518 -5.1518 -5.1507 -5.1507 -0.9799 -0.9799 -0.9776 -0.9776 -0.6218 -0.6218 -0.6165 -0.6165 -0.4800 -0.4800 -0.4726 -0.4726 -0.3252 -0.3252 -0.3238 -0.3238 -0.1972 -0.1972 -0.1326 -0.1326 0.1614 0.1614 0.1660 0.1660 0.6578 0.6578 0.6706 0.6706 0.9658 0.9658 0.9779 0.9779 1.1470 1.1470 1.1780 1.1780 1.3591 1.3591 1.3784 1.3784 1.5630 1.5630 1.6144 1.6144 1.6634 1.6634 1.7160 1.7160 1.8487 1.8487 1.8540 1.8540 2.1199 2.1199 2.1405 2.1405 2.2314 2.2314 2.2455 2.2455 2.3879 2.3879 2.4182 2.4182 2.4918 2.4918 2.5164 2.5164 2.7402 2.7402 2.7527 2.7527 5.1100 5.1100 5.1337 5.1337 5.3982 5.3982 5.4129 5.4129 5.5460 5.5460 5.5661 5.5661 5.7863 5.7863 5.8337 5.8337 6.1120 6.1120 6.1268 6.1268 k = 0.1667 0.7487 0.3767 ( 17144 PWs) bands (ev): -9.6884 -9.6884 -9.6882 -9.6882 -9.4569 -9.4569 -9.4565 -9.4565 -8.9445 -8.9445 -8.9417 -8.9417 -8.8393 -8.8393 -8.8362 -8.8362 -8.7869 -8.7869 -8.7842 -8.7842 -8.6832 -8.6832 -8.6813 -8.6813 -5.4143 -5.4143 -5.4120 -5.4120 -5.1541 -5.1541 -5.1527 -5.1527 -0.9727 -0.9727 -0.9702 -0.9702 -0.6284 -0.6284 -0.6223 -0.6223 -0.4813 -0.4813 -0.4740 -0.4740 -0.3350 -0.3350 -0.3298 -0.3298 -0.2175 -0.2175 -0.1400 -0.1400 0.1653 0.1653 0.1672 0.1672 0.6672 0.6672 0.6850 0.6850 0.9765 0.9765 0.9887 0.9887 1.1569 1.1569 1.1964 1.1964 1.3601 1.3601 1.3831 1.3831 1.5581 1.5581 1.6201 1.6201 1.6584 1.6584 1.7240 1.7240 1.8519 1.8519 1.8599 1.8599 2.1165 2.1165 2.1471 2.1471 2.2225 2.2225 2.2395 2.2395 2.3841 2.3841 2.4180 2.4180 2.4822 2.4822 2.5126 2.5126 2.7284 2.7284 2.7442 2.7442 5.0937 5.0937 5.1234 5.1234 5.3949 5.3949 5.4064 5.4064 5.5526 5.5526 5.5684 5.5684 5.7760 5.7760 5.8318 5.8318 6.1138 6.1138 6.1330 6.1330 k = 0.2000 0.7487 0.3767 ( 17122 PWs) bands (ev): -9.6854 -9.6854 -9.6852 -9.6852 -9.4616 -9.4616 -9.4613 -9.4613 -8.9460 -8.9460 -8.9430 -8.9430 -8.8334 -8.8334 -8.8300 -8.8300 -8.7902 -8.7902 -8.7873 -8.7873 -8.6828 -8.6828 -8.6807 -8.6807 -5.4124 -5.4124 -5.4097 -5.4097 -5.1567 -5.1567 -5.1550 -5.1550 -0.9637 -0.9637 -0.9612 -0.9612 -0.6367 -0.6367 -0.6304 -0.6304 -0.4824 -0.4824 -0.4764 -0.4764 -0.3469 -0.3469 -0.3361 -0.3361 -0.2365 -0.2365 -0.1474 -0.1474 0.1669 0.1669 0.1690 0.1690 0.6768 0.6768 0.7004 0.7004 0.9890 0.9890 0.9999 0.9999 1.1695 1.1695 1.2173 1.2173 1.3626 1.3626 1.3882 1.3882 1.5537 1.5537 1.6255 1.6255 1.6542 1.6542 1.7322 1.7322 1.8558 1.8558 1.8668 1.8668 2.1110 2.1110 2.1544 2.1544 2.2134 2.2134 2.2319 2.2319 2.3794 2.3794 2.4161 2.4161 2.4731 2.4731 2.5083 2.5083 2.7151 2.7151 2.7342 2.7342 5.0756 5.0756 5.1113 5.1113 5.3931 5.3931 5.3993 5.3993 5.5601 5.5601 5.5684 5.5684 5.7666 5.7666 5.8288 5.8288 6.1155 6.1155 6.1392 6.1392 k = 0.2333 0.7487 0.3767 ( 17128 PWs) bands (ev): -9.6821 -9.6821 -9.6818 -9.6818 -9.4669 -9.4669 -9.4665 -9.4665 -8.9473 -8.9473 -8.9441 -8.9441 -8.8274 -8.8274 -8.8240 -8.8240 -8.7934 -8.7934 -8.7903 -8.7903 -8.6826 -8.6826 -8.6803 -8.6803 -5.4103 -5.4103 -5.4071 -5.4071 -5.1595 -5.1595 -5.1575 -5.1575 -0.9530 -0.9530 -0.9509 -0.9509 -0.6468 -0.6468 -0.6410 -0.6410 -0.4832 -0.4832 -0.4798 -0.4798 -0.3600 -0.3600 -0.3419 -0.3419 -0.2536 -0.2536 -0.1542 -0.1542 0.1656 0.1656 0.1721 0.1721 0.6859 0.6859 0.7161 0.7161 1.0026 1.0026 1.0108 1.0108 1.1844 1.1844 1.2400 1.2400 1.3669 1.3669 1.3935 1.3935 1.5498 1.5498 1.6307 1.6307 1.6504 1.6504 1.7405 1.7405 1.8607 1.8607 1.8743 1.8743 2.1026 2.1026 2.1613 2.1613 2.2051 2.2051 2.2235 2.2235 2.3725 2.3725 2.4128 2.4128 2.4662 2.4662 2.5037 2.5037 2.7005 2.7005 2.7233 2.7233 5.0567 5.0567 5.0981 5.0981 5.3923 5.3923 5.3929 5.3929 5.5658 5.5658 5.5678 5.5678 5.7585 5.7585 5.8252 5.8252 6.1170 6.1170 6.1454 6.1454 k = 0.2667 0.7487 0.3767 ( 17122 PWs) bands (ev): -9.6784 -9.6784 -9.6781 -9.6781 -9.4724 -9.4724 -9.4720 -9.4720 -8.9482 -8.9482 -8.9449 -8.9449 -8.8219 -8.8219 -8.8187 -8.8187 -8.7959 -8.7959 -8.7929 -8.7929 -8.6825 -8.6825 -8.6801 -8.6801 -5.4081 -5.4081 -5.4045 -5.4045 -5.1625 -5.1625 -5.1602 -5.1602 -0.9404 -0.9404 -0.9391 -0.9391 -0.6589 -0.6589 -0.6545 -0.6545 -0.4839 -0.4839 -0.4837 -0.4837 -0.3735 -0.3735 -0.3466 -0.3466 -0.2684 -0.2684 -0.1600 -0.1600 0.1633 0.1633 0.1747 0.1747 0.6940 0.6940 0.7312 0.7312 1.0165 1.0165 1.0207 1.0207 1.2014 1.2014 1.2638 1.2638 1.3731 1.3731 1.3987 1.3987 1.5466 1.5466 1.6364 1.6364 1.6471 1.6471 1.7484 1.7484 1.8671 1.8671 1.8821 1.8821 2.0908 2.0908 2.1646 2.1646 2.1987 2.1987 2.2165 2.2165 2.3622 2.3622 2.4090 2.4090 2.4632 2.4632 2.4988 2.4988 2.6850 2.6850 2.7117 2.7117 5.0376 5.0376 5.0846 5.0846 5.3859 5.3859 5.3943 5.3943 5.5607 5.5607 5.5751 5.5751 5.7519 5.7519 5.8214 5.8214 6.1181 6.1181 6.1514 6.1514 k = 0.3000 0.7487 0.3767 ( 17116 PWs) bands (ev): -9.6747 -9.6747 -9.6744 -9.6744 -9.4780 -9.4780 -9.4775 -9.4775 -8.9489 -8.9489 -8.9456 -8.9456 -8.8174 -8.8174 -8.8152 -8.8152 -8.7967 -8.7967 -8.7946 -8.7946 -8.6825 -8.6825 -8.6800 -8.6800 -5.4058 -5.4058 -5.4018 -5.4018 -5.1654 -5.1654 -5.1628 -5.1628 -0.9261 -0.9261 -0.9260 -0.9260 -0.6729 -0.6729 -0.6709 -0.6709 -0.4885 -0.4885 -0.4839 -0.4839 -0.3866 -0.3866 -0.3497 -0.3497 -0.2812 -0.2812 -0.1648 -0.1648 0.1605 0.1605 0.1766 0.1766 0.7008 0.7008 0.7454 0.7454 1.0291 1.0291 1.0298 1.0298 1.2199 1.2199 1.2874 1.2874 1.3809 1.3809 1.4034 1.4034 1.5442 1.5442 1.6432 1.6432 1.6439 1.6439 1.7553 1.7553 1.8755 1.8755 1.8901 1.8901 2.0756 2.0756 2.1594 2.1594 2.1949 2.1949 2.2151 2.2151 2.3480 2.3480 2.4056 2.4056 2.4645 2.4645 2.4935 2.4935 2.6690 2.6690 2.7001 2.7001 5.0192 5.0192 5.0714 5.0714 5.3801 5.3801 5.3971 5.3971 5.5534 5.5534 5.5818 5.5818 5.7470 5.7470 5.8177 5.8177 6.1188 6.1188 6.1572 6.1572 k = 0.3333 0.7487 0.3767 ( 17120 PWs) bands (ev): -9.6711 -9.6711 -9.6707 -9.6707 -9.4833 -9.4833 -9.4829 -9.4829 -8.9493 -8.9493 -8.9459 -8.9459 -8.8148 -8.8148 -8.8144 -8.8144 -8.7951 -8.7951 -8.7947 -8.7947 -8.6827 -8.6827 -8.6802 -8.6802 -5.4037 -5.4037 -5.3993 -5.3993 -5.1682 -5.1682 -5.1653 -5.1653 -0.9119 -0.9119 -0.9100 -0.9100 -0.6900 -0.6900 -0.6885 -0.6885 -0.4930 -0.4930 -0.4838 -0.4838 -0.3986 -0.3986 -0.3511 -0.3511 -0.2923 -0.2923 -0.1686 -0.1686 0.1575 0.1575 0.1781 0.1781 0.7063 0.7063 0.7579 0.7579 1.0358 1.0358 1.0418 1.0418 1.2392 1.2392 1.3098 1.3098 1.3898 1.3898 1.4070 1.4070 1.5430 1.5430 1.6406 1.6406 1.6520 1.6520 1.7603 1.7603 1.8867 1.8867 1.8979 1.8979 2.0577 2.0577 2.1444 2.1444 2.1938 2.1938 2.2199 2.2199 2.3311 2.3311 2.4038 2.4038 2.4696 2.4696 2.4874 2.4874 2.6527 2.6527 2.6890 2.6890 5.0023 5.0023 5.0592 5.0592 5.3752 5.3752 5.4012 5.4012 5.5445 5.5445 5.5874 5.5874 5.7435 5.7435 5.8144 5.8144 6.1192 6.1192 6.1628 6.1628 k = 0.3667 0.7487 0.3767 ( 17102 PWs) bands (ev): -9.6677 -9.6677 -9.6673 -9.6673 -9.4882 -9.4882 -9.4877 -9.4877 -8.9495 -8.9495 -8.9461 -8.9461 -8.8154 -8.8154 -8.8142 -8.8142 -8.7931 -8.7931 -8.7919 -8.7919 -8.6831 -8.6831 -8.6805 -8.6805 -5.4017 -5.4017 -5.3971 -5.3971 -5.1707 -5.1707 -5.1676 -5.1676 -0.8970 -0.8970 -0.8922 -0.8922 -0.7114 -0.7114 -0.7051 -0.7051 -0.4969 -0.4969 -0.4834 -0.4834 -0.4090 -0.4090 -0.3509 -0.3509 -0.3018 -0.3018 -0.1715 -0.1715 0.1546 0.1546 0.1791 0.1791 0.7105 0.7105 0.7687 0.7687 1.0407 1.0407 1.0519 1.0519 1.2584 1.2584 1.3300 1.3300 1.3985 1.3985 1.4090 1.4090 1.5432 1.5432 1.6368 1.6368 1.6633 1.6633 1.7627 1.7627 1.9009 1.9009 1.9055 1.9055 2.0384 2.0384 2.1229 2.1229 2.1955 2.1955 2.2272 2.2272 2.3126 2.3126 2.4044 2.4044 2.4775 2.4775 2.4803 2.4803 2.6368 2.6368 2.6789 2.6789 4.9874 4.9874 5.0485 5.0485 5.3711 5.3711 5.4062 5.4062 5.5348 5.5348 5.5920 5.5920 5.7412 5.7412 5.8116 5.8116 6.1194 6.1194 6.1681 6.1681 k = 0.4000 0.7487 0.3767 ( 17094 PWs) bands (ev): -9.6647 -9.6647 -9.6643 -9.6643 -9.4924 -9.4924 -9.4919 -9.4919 -8.9496 -8.9496 -8.9462 -8.9462 -8.8170 -8.8170 -8.8148 -8.8148 -8.7907 -8.7907 -8.7885 -8.7885 -8.6834 -8.6834 -8.6808 -8.6808 -5.4001 -5.4001 -5.3952 -5.3952 -5.1728 -5.1728 -5.1695 -5.1695 -0.8821 -0.8821 -0.8727 -0.8727 -0.7344 -0.7344 -0.7220 -0.7220 -0.5002 -0.5002 -0.4829 -0.4829 -0.4173 -0.4173 -0.3493 -0.3493 -0.3101 -0.3101 -0.1737 -0.1737 0.1521 0.1521 0.1799 0.1799 0.7136 0.7136 0.7773 0.7773 1.0441 1.0441 1.0599 1.0599 1.2760 1.2760 1.3473 1.3473 1.4059 1.4059 1.4095 1.4095 1.5446 1.5446 1.6327 1.6327 1.6776 1.6776 1.7614 1.7614 1.9128 1.9128 1.9182 1.9182 2.0194 2.0194 2.0980 2.0980 2.1997 2.1997 2.2342 2.2342 2.2939 2.2939 2.4080 2.4080 2.4720 2.4720 2.4868 2.4868 2.6217 2.6217 2.6705 2.6705 4.9752 4.9752 5.0398 5.0398 5.3679 5.3679 5.4117 5.4117 5.5251 5.5251 5.5955 5.5955 5.7398 5.7398 5.8095 5.8095 6.1194 6.1194 6.1732 6.1732 k = 0.4333 0.7487 0.3767 ( 17102 PWs) bands (ev): -9.6625 -9.6625 -9.6620 -9.6620 -9.4956 -9.4956 -9.4951 -9.4951 -8.9495 -8.9495 -8.9462 -8.9462 -8.8184 -8.8184 -8.8157 -8.8157 -8.7885 -8.7885 -8.7858 -8.7858 -8.6837 -8.6837 -8.6812 -8.6812 -5.3988 -5.3988 -5.3937 -5.3937 -5.1744 -5.1744 -5.1710 -5.1710 -0.8681 -0.8681 -0.8518 -0.8518 -0.7583 -0.7583 -0.7375 -0.7375 -0.5025 -0.5025 -0.4823 -0.4823 -0.4235 -0.4235 -0.3467 -0.3467 -0.3171 -0.3171 -0.1753 -0.1753 0.1502 0.1502 0.1804 0.1804 0.7156 0.7156 0.7837 0.7837 1.0461 1.0461 1.0656 1.0656 1.2905 1.2905 1.3608 1.3608 1.4086 1.4086 1.4110 1.4110 1.5468 1.5468 1.6287 1.6287 1.6943 1.6943 1.7558 1.7558 1.9194 1.9194 1.9376 1.9376 2.0026 2.0026 2.0722 2.0722 2.2060 2.2060 2.2396 2.2396 2.2766 2.2766 2.4141 2.4141 2.4629 2.4629 2.4962 2.4962 2.6085 2.6085 2.6641 2.6641 4.9662 4.9662 5.0333 5.0333 5.3657 5.3657 5.4169 5.4169 5.5166 5.5166 5.5979 5.5979 5.7389 5.7389 5.8080 5.8080 6.1193 6.1193 6.1777 6.1777 k = 0.4667 0.7487 0.3767 ( 17092 PWs) bands (ev): -9.6610 -9.6610 -9.6605 -9.6605 -9.4976 -9.4976 -9.4972 -9.4972 -8.9495 -8.9495 -8.9461 -8.9461 -8.8194 -8.8194 -8.8164 -8.8164 -8.7870 -8.7870 -8.7840 -8.7840 -8.6840 -8.6840 -8.6814 -8.6814 -5.3980 -5.3980 -5.3928 -5.3928 -5.1754 -5.1754 -5.1719 -5.1719 -0.8574 -0.8574 -0.8296 -0.8296 -0.7824 -0.7824 -0.7493 -0.7493 -0.5039 -0.5039 -0.4819 -0.4819 -0.4273 -0.4273 -0.3440 -0.3440 -0.3224 -0.3224 -0.1762 -0.1762 0.1490 0.1490 0.1807 0.1807 0.7167 0.7167 0.7876 0.7876 1.0472 1.0472 1.0690 1.0690 1.3003 1.3003 1.3696 1.3696 1.4073 1.4073 1.4136 1.4136 1.5489 1.5489 1.6257 1.6257 1.7118 1.7118 1.7457 1.7457 1.9247 1.9247 1.9563 1.9563 1.9904 1.9904 2.0494 2.0494 2.2130 2.2130 2.2430 2.2430 2.2627 2.2627 2.4213 2.4213 2.4539 2.4539 2.5037 2.5037 2.5989 2.5989 2.6601 2.6601 4.9607 4.9607 5.0293 5.0293 5.3643 5.3643 5.4208 5.4208 5.5106 5.5106 5.5993 5.5993 5.7385 5.7385 5.8071 5.8071 6.1192 6.1192 6.1812 6.1812 k = 0.5000 0.7487 0.3767 ( 17096 PWs) bands (ev): -9.6605 -9.6605 -9.6600 -9.6600 -9.4983 -9.4983 -9.4979 -9.4979 -8.9495 -8.9495 -8.9461 -8.9461 -8.8197 -8.8197 -8.8167 -8.8167 -8.7864 -8.7864 -8.7834 -8.7834 -8.6841 -8.6841 -8.6815 -8.6815 -5.3978 -5.3978 -5.3925 -5.3925 -5.1757 -5.1757 -5.1722 -5.1722 -0.8531 -0.8531 -0.8070 -0.8070 -0.8057 -0.8057 -0.7539 -0.7539 -0.5044 -0.5044 -0.4817 -0.4817 -0.4285 -0.4285 -0.3427 -0.3427 -0.3245 -0.3245 -0.1765 -0.1765 0.1486 0.1486 0.1808 0.1808 0.7171 0.7171 0.7889 0.7889 1.0475 1.0475 1.0701 1.0701 1.3038 1.3038 1.3728 1.3728 1.4067 1.4067 1.4144 1.4144 1.5497 1.5497 1.6245 1.6245 1.7245 1.7245 1.7357 1.7357 1.9269 1.9269 1.9656 1.9656 1.9858 1.9858 2.0386 2.0386 2.2167 2.2167 2.2441 2.2441 2.2566 2.2566 2.4254 2.4254 2.4493 2.4493 2.5066 2.5066 2.5952 2.5952 2.6588 2.6588 4.9588 4.9588 5.0279 5.0279 5.3639 5.3639 5.4222 5.4222 5.5084 5.5084 5.5998 5.5998 5.7384 5.7384 5.8069 5.8069 6.1192 6.1192 6.1826 6.1826 k = 0.5000 0.7487 0.3767 ( 17096 PWs) bands (ev): -9.6605 -9.6605 -9.6600 -9.6600 -9.4983 -9.4983 -9.4979 -9.4979 -8.9495 -8.9495 -8.9461 -8.9461 -8.8197 -8.8197 -8.8167 -8.8167 -8.7864 -8.7864 -8.7834 -8.7834 -8.6841 -8.6841 -8.6815 -8.6815 -5.3978 -5.3978 -5.3925 -5.3925 -5.1757 -5.1757 -5.1722 -5.1722 -0.8531 -0.8531 -0.8070 -0.8070 -0.8057 -0.8057 -0.7539 -0.7539 -0.5044 -0.5044 -0.4817 -0.4817 -0.4285 -0.4285 -0.3427 -0.3427 -0.3245 -0.3245 -0.1765 -0.1765 0.1486 0.1486 0.1808 0.1808 0.7171 0.7171 0.7889 0.7889 1.0475 1.0475 1.0701 1.0701 1.3038 1.3038 1.3728 1.3728 1.4067 1.4067 1.4144 1.4144 1.5497 1.5497 1.6245 1.6245 1.7245 1.7245 1.7357 1.7357 1.9269 1.9269 1.9656 1.9656 1.9858 1.9858 2.0386 2.0386 2.2167 2.2167 2.2441 2.2441 2.2566 2.2566 2.4254 2.4254 2.4493 2.4493 2.5066 2.5066 2.5952 2.5952 2.6588 2.6588 4.9588 4.9588 5.0279 5.0279 5.3639 5.3639 5.4222 5.4222 5.5084 5.5084 5.5998 5.5998 5.7384 5.7384 5.8069 5.8069 6.1192 6.1192 6.1826 6.1826 k = 0.5000 0.7638 0.3465 ( 17082 PWs) bands (ev): -9.6605 -9.6605 -9.6600 -9.6600 -9.4985 -9.4985 -9.4981 -9.4981 -8.9500 -8.9500 -8.9467 -8.9467 -8.8190 -8.8190 -8.8160 -8.8160 -8.7862 -8.7862 -8.7832 -8.7832 -8.6841 -8.6841 -8.6815 -8.6815 -5.3985 -5.3985 -5.3933 -5.3933 -5.1750 -5.1750 -5.1714 -5.1714 -0.8552 -0.8552 -0.8074 -0.8074 -0.8051 -0.8051 -0.7525 -0.7525 -0.5163 -0.5163 -0.4720 -0.4720 -0.4340 -0.4340 -0.3408 -0.3408 -0.3207 -0.3207 -0.1763 -0.1763 0.1487 0.1487 0.1814 0.1814 0.7156 0.7156 0.7914 0.7914 1.0369 1.0369 1.0793 1.0793 1.3041 1.3041 1.3718 1.3718 1.4079 1.4079 1.4139 1.4139 1.5495 1.5495 1.6239 1.6239 1.7241 1.7241 1.7361 1.7361 1.9263 1.9263 1.9640 1.9640 1.9896 1.9896 2.0415 2.0415 2.2161 2.2161 2.2349 2.2349 2.2666 2.2666 2.4249 2.4249 2.4488 2.4488 2.5062 2.5062 2.5961 2.5961 2.6602 2.6602 4.9592 4.9592 5.0285 5.0285 5.3637 5.3637 5.4220 5.4220 5.5078 5.5078 5.5985 5.5985 5.7389 5.7389 5.8068 5.8068 6.1160 6.1160 6.1796 6.1796 k = 0.5000 0.7790 0.3164 ( 17084 PWs) bands (ev): -9.6604 -9.6604 -9.6599 -9.6599 -9.4991 -9.4991 -9.4986 -9.4986 -8.9516 -8.9516 -8.9484 -8.9484 -8.8171 -8.8171 -8.8140 -8.8140 -8.7857 -8.7857 -8.7825 -8.7825 -8.6842 -8.6842 -8.6817 -8.6817 -5.4007 -5.4007 -5.3955 -5.3955 -5.1729 -5.1729 -5.1693 -5.1693 -0.8604 -0.8604 -0.8119 -0.8119 -0.8001 -0.8001 -0.7489 -0.7489 -0.5365 -0.5365 -0.4585 -0.4585 -0.4480 -0.4480 -0.3353 -0.3353 -0.3114 -0.3114 -0.1757 -0.1757 0.1491 0.1491 0.1832 0.1832 0.7119 0.7119 0.7984 0.7984 1.0185 1.0185 1.0934 1.0934 1.3049 1.3049 1.3693 1.3693 1.4110 1.4110 1.4124 1.4124 1.5488 1.5488 1.6220 1.6220 1.7229 1.7229 1.7369 1.7369 1.9251 1.9251 1.9615 1.9615 1.9985 1.9985 2.0494 2.0494 2.2144 2.2144 2.2227 2.2227 2.2810 2.2810 2.4234 2.4234 2.4474 2.4474 2.5051 2.5051 2.5985 2.5985 2.6645 2.6645 4.9603 4.9603 5.0301 5.0301 5.3633 5.3633 5.4214 5.4214 5.5062 5.5062 5.5949 5.5949 5.7403 5.7403 5.8066 5.8066 6.1069 6.1069 6.1711 6.1711 k = 0.5000 0.7942 0.2862 ( 17090 PWs) bands (ev): -9.6603 -9.6603 -9.6598 -9.6598 -9.5000 -9.5000 -9.4996 -9.4996 -8.9540 -8.9540 -8.9509 -8.9509 -8.8142 -8.8142 -8.8111 -8.8111 -8.7846 -8.7846 -8.7812 -8.7812 -8.6844 -8.6844 -8.6819 -8.6819 -5.4043 -5.4043 -5.3992 -5.3992 -5.1695 -5.1695 -5.1658 -5.1658 -0.8674 -0.8674 -0.8182 -0.8182 -0.7937 -0.7937 -0.7442 -0.7442 -0.5581 -0.5581 -0.4669 -0.4669 -0.4476 -0.4476 -0.3262 -0.3262 -0.3007 -0.3007 -0.1743 -0.1743 0.1497 0.1497 0.1862 0.1862 0.7073 0.7073 0.8084 0.8084 0.9985 0.9985 1.1065 1.1065 1.3063 1.3063 1.3655 1.3655 1.4101 1.4101 1.4158 1.4158 1.5481 1.5481 1.6192 1.6192 1.7207 1.7207 1.7377 1.7377 1.9249 1.9249 1.9603 1.9603 2.0095 2.0095 2.0607 2.0607 2.2118 2.2118 2.2122 2.2122 2.2950 2.2950 2.4209 2.4209 2.4455 2.4455 2.5036 2.5036 2.6027 2.6027 2.6716 2.6716 4.9620 4.9620 5.0328 5.0328 5.3624 5.3624 5.4204 5.4204 5.5036 5.5036 5.5889 5.5889 5.7424 5.7424 5.8062 5.8062 6.0931 6.0931 6.1578 6.1578 k = 0.5000 0.8094 0.2560 ( 17088 PWs) bands (ev): -9.6602 -9.6602 -9.6598 -9.6598 -9.5012 -9.5012 -9.5008 -9.5008 -8.9569 -8.9569 -8.9540 -8.9540 -8.8109 -8.8109 -8.8078 -8.8078 -8.7827 -8.7827 -8.7792 -8.7792 -8.6847 -8.6847 -8.6821 -8.6821 -5.4089 -5.4089 -5.4040 -5.4040 -5.1651 -5.1651 -5.1613 -5.1613 -0.8750 -0.8750 -0.8253 -0.8253 -0.7869 -0.7869 -0.7397 -0.7397 -0.5799 -0.5799 -0.4881 -0.4881 -0.4400 -0.4400 -0.3140 -0.3140 -0.2912 -0.2912 -0.1718 -0.1718 0.1507 0.1507 0.1904 0.1904 0.7030 0.7030 0.8201 0.8201 0.9776 0.9776 1.1178 1.1178 1.3083 1.3083 1.3609 1.3609 1.4071 1.4071 1.4217 1.4217 1.5477 1.5477 1.6157 1.6157 1.7173 1.7173 1.7377 1.7377 1.9271 1.9271 1.9603 1.9603 2.0219 2.0219 2.0737 2.0737 2.2042 2.2042 2.2084 2.2084 2.3077 2.3077 2.4174 2.4174 2.4436 2.4436 2.5018 2.5018 2.6086 2.6086 2.6812 2.6812 4.9644 4.9644 5.0365 5.0365 5.3611 5.3611 5.4191 5.4191 5.4999 5.4999 5.5810 5.5810 5.7450 5.7450 5.8056 5.8056 6.0756 6.0756 6.1409 6.1409 k = 0.5000 0.8245 0.2259 ( 17074 PWs) bands (ev): -9.6603 -9.6603 -9.6599 -9.6599 -9.5026 -9.5026 -9.5021 -9.5021 -8.9601 -8.9601 -8.9574 -8.9574 -8.8077 -8.8077 -8.8048 -8.8048 -8.7797 -8.7797 -8.7761 -8.7761 -8.6850 -8.6850 -8.6825 -8.6825 -5.4144 -5.4144 -5.4096 -5.4096 -5.1599 -5.1599 -5.1560 -5.1560 -0.8828 -0.8828 -0.8327 -0.8327 -0.7806 -0.7806 -0.7362 -0.7362 -0.6009 -0.6009 -0.5102 -0.5102 -0.4352 -0.4352 -0.2996 -0.2996 -0.2845 -0.2845 -0.1679 -0.1679 0.1522 0.1522 0.1958 0.1958 0.6997 0.6997 0.8328 0.8328 0.9566 0.9566 1.1272 1.1272 1.3106 1.3106 1.3555 1.3555 1.4039 1.4039 1.4288 1.4288 1.5473 1.5473 1.6117 1.6117 1.7130 1.7130 1.7371 1.7371 1.9320 1.9320 1.9607 1.9607 2.0355 2.0355 2.0871 2.0871 2.1990 2.1990 2.2046 2.2046 2.3188 2.3188 2.4128 2.4128 2.4421 2.4421 2.5003 2.5003 2.6165 2.6165 2.6930 2.6930 4.9673 4.9673 5.0412 5.0412 5.3592 5.3592 5.4174 5.4174 5.4952 5.4952 5.5715 5.5715 5.7476 5.7476 5.8047 5.8047 6.0554 6.0554 6.1212 6.1212 k = 0.5000 0.8397 0.1957 ( 17072 PWs) bands (ev): -9.6606 -9.6606 -9.6602 -9.6602 -9.5040 -9.5040 -9.5035 -9.5035 -8.9632 -8.9632 -8.9607 -8.9607 -8.8050 -8.8050 -8.8024 -8.8024 -8.7756 -8.7756 -8.7721 -8.7721 -8.6854 -8.6854 -8.6829 -8.6829 -5.4206 -5.4206 -5.4160 -5.4160 -5.1543 -5.1543 -5.1503 -5.1503 -0.8905 -0.8905 -0.8402 -0.8402 -0.7750 -0.7750 -0.7346 -0.7346 -0.6201 -0.6201 -0.5320 -0.5320 -0.4324 -0.4324 -0.2840 -0.2840 -0.2810 -0.2810 -0.1626 -0.1626 0.1543 0.1543 0.2025 0.2025 0.6978 0.6978 0.8460 0.8460 0.9356 0.9356 1.1348 1.1348 1.3130 1.3130 1.3496 1.3496 1.4008 1.4008 1.4370 1.4370 1.5467 1.5467 1.6072 1.6072 1.7083 1.7083 1.7361 1.7361 1.9391 1.9391 1.9604 1.9604 2.0501 2.0501 2.1000 2.1000 2.1964 2.1964 2.2008 2.2008 2.3281 2.3281 2.4070 2.4070 2.4409 2.4409 2.4996 2.4996 2.6265 2.6265 2.7066 2.7066 4.9705 4.9705 5.0468 5.0468 5.3563 5.3563 5.4150 5.4150 5.4897 5.4897 5.5609 5.5609 5.7501 5.7501 5.8033 5.8033 6.0334 6.0334 6.0992 6.0992 k = 0.5000 0.8549 0.1656 ( 17088 PWs) bands (ev): -9.6614 -9.6614 -9.6610 -9.6610 -9.5052 -9.5052 -9.5048 -9.5048 -8.9661 -8.9661 -8.9638 -8.9638 -8.8029 -8.8029 -8.8007 -8.8007 -8.7704 -8.7704 -8.7671 -8.7671 -8.6859 -8.6859 -8.6834 -8.6834 -5.4273 -5.4273 -5.4228 -5.4228 -5.1483 -5.1483 -5.1442 -5.1442 -0.8979 -0.8979 -0.8476 -0.8476 -0.7707 -0.7707 -0.7360 -0.7360 -0.6364 -0.6364 -0.5530 -0.5530 -0.4311 -0.4311 -0.2806 -0.2806 -0.2680 -0.2680 -0.1566 -0.1566 0.1571 0.1571 0.2104 0.2104 0.6976 0.6976 0.8592 0.8592 0.9152 0.9152 1.1406 1.1406 1.3151 1.3151 1.3435 1.3435 1.3986 1.3986 1.4460 1.4460 1.5451 1.5451 1.6022 1.6022 1.7037 1.7037 1.7354 1.7354 1.9472 1.9472 1.9590 1.9590 2.0656 2.0656 2.1114 2.1114 2.1961 2.1961 2.1978 2.1978 2.3360 2.3360 2.4002 2.4002 2.4400 2.4400 2.5002 2.5002 2.6387 2.6387 2.7213 2.7213 4.9741 4.9741 5.0533 5.0533 5.3522 5.3522 5.4115 5.4115 5.4837 5.4837 5.5501 5.5501 5.7522 5.7522 5.8013 5.8013 6.0102 6.0102 6.0755 6.0755 k = 0.5000 0.8701 0.1354 ( 17098 PWs) bands (ev): -9.6627 -9.6627 -9.6623 -9.6623 -9.5062 -9.5062 -9.5058 -9.5058 -8.9685 -8.9685 -8.9664 -8.9664 -8.8014 -8.8014 -8.7997 -8.7997 -8.7646 -8.7646 -8.7616 -8.7616 -8.6863 -8.6863 -8.6838 -8.6838 -5.4341 -5.4341 -5.4298 -5.4298 -5.1424 -5.1424 -5.1382 -5.1382 -0.9049 -0.9049 -0.8548 -0.8548 -0.7678 -0.7678 -0.7413 -0.7413 -0.6487 -0.6487 -0.5726 -0.5726 -0.4305 -0.4305 -0.2828 -0.2828 -0.2521 -0.2521 -0.1504 -0.1504 0.1608 0.1608 0.2193 0.2193 0.6990 0.6990 0.8722 0.8722 0.8958 0.8958 1.1449 1.1449 1.3165 1.3165 1.3376 1.3376 1.3980 1.3980 1.4548 1.4548 1.5423 1.5423 1.5969 1.5969 1.7001 1.7001 1.7355 1.7355 1.9551 1.9551 1.9567 1.9567 2.0812 2.0812 2.1203 2.1203 2.1965 2.1965 2.1977 2.1977 2.3431 2.3431 2.3924 2.3924 2.4392 2.4392 2.5027 2.5027 2.6528 2.6528 2.7365 2.7365 4.9779 4.9779 5.0605 5.0605 5.3464 5.3464 5.4063 5.4063 5.4773 5.4773 5.5400 5.5400 5.7538 5.7538 5.7985 5.7985 5.9869 5.9869 6.0508 6.0508 k = 0.5000 0.8852 0.1052 ( 17090 PWs) bands (ev): -9.6646 -9.6646 -9.6643 -9.6643 -9.5067 -9.5067 -9.5063 -9.5063 -8.9704 -8.9704 -8.9685 -8.9685 -8.8004 -8.8004 -8.7990 -8.7990 -8.7585 -8.7585 -8.7557 -8.7557 -8.6867 -8.6867 -8.6843 -8.6843 -5.4410 -5.4410 -5.4369 -5.4369 -5.1367 -5.1367 -5.1325 -5.1325 -0.9117 -0.9117 -0.8618 -0.8618 -0.7666 -0.7666 -0.7505 -0.7505 -0.6568 -0.6568 -0.5901 -0.5901 -0.4304 -0.4304 -0.2869 -0.2869 -0.2367 -0.2367 -0.1447 -0.1447 0.1654 0.1654 0.2291 0.2291 0.7020 0.7020 0.8776 0.8776 0.8849 0.8849 1.1481 1.1481 1.3165 1.3165 1.3319 1.3319 1.3996 1.3996 1.4618 1.4618 1.5391 1.5391 1.5912 1.5912 1.6979 1.6979 1.7367 1.7367 1.9539 1.9539 1.9616 1.9616 2.0955 2.0955 2.1258 2.1258 2.1984 2.1984 2.2012 2.2012 2.3496 2.3496 2.3839 2.3839 2.4386 2.4386 2.5071 2.5071 2.6682 2.6682 2.7516 2.7516 4.9819 4.9819 5.0685 5.0685 5.3388 5.3388 5.3986 5.3986 5.4710 5.4710 5.5317 5.5317 5.7547 5.7547 5.7947 5.7947 5.9642 5.9642 6.0253 6.0253 k = 0.5000 0.8852 0.1052 ( 17090 PWs) bands (ev): -9.6646 -9.6646 -9.6643 -9.6643 -9.5067 -9.5067 -9.5063 -9.5063 -8.9704 -8.9704 -8.9685 -8.9685 -8.8004 -8.8004 -8.7990 -8.7990 -8.7585 -8.7585 -8.7557 -8.7557 -8.6867 -8.6867 -8.6843 -8.6843 -5.4410 -5.4410 -5.4369 -5.4369 -5.1367 -5.1367 -5.1325 -5.1325 -0.9117 -0.9117 -0.8618 -0.8618 -0.7666 -0.7666 -0.7505 -0.7505 -0.6568 -0.6568 -0.5901 -0.5901 -0.4304 -0.4304 -0.2869 -0.2869 -0.2367 -0.2367 -0.1447 -0.1447 0.1654 0.1654 0.2291 0.2291 0.7020 0.7020 0.8776 0.8776 0.8849 0.8849 1.1481 1.1481 1.3165 1.3165 1.3319 1.3319 1.3996 1.3996 1.4618 1.4618 1.5391 1.5391 1.5912 1.5912 1.6979 1.6979 1.7367 1.7367 1.9539 1.9539 1.9616 1.9616 2.0955 2.0955 2.1258 2.1258 2.1984 2.1984 2.2012 2.2012 2.3496 2.3496 2.3839 2.3839 2.4386 2.4386 2.5071 2.5071 2.6682 2.6682 2.7516 2.7516 4.9819 4.9819 5.0685 5.0685 5.3388 5.3388 5.3986 5.3986 5.4710 5.4710 5.5317 5.5317 5.7547 5.7547 5.7947 5.7947 5.9642 5.9642 6.0253 6.0253 k = 0.5000 0.8739 0.0738 ( 17112 PWs) bands (ev): -9.6689 -9.6689 -9.6686 -9.6686 -9.4992 -9.4992 -9.4989 -9.4989 -8.9744 -8.9744 -8.9726 -8.9726 -8.8012 -8.8012 -8.7999 -8.7999 -8.7556 -8.7556 -8.7529 -8.7529 -8.6881 -8.6881 -8.6857 -8.6857 -5.4472 -5.4472 -5.4434 -5.4434 -5.1296 -5.1296 -5.1255 -5.1255 -0.9162 -0.9162 -0.8669 -0.8669 -0.7717 -0.7717 -0.7655 -0.7655 -0.6613 -0.6613 -0.6062 -0.6062 -0.4230 -0.4230 -0.2826 -0.2826 -0.2196 -0.2196 -0.1344 -0.1344 0.1766 0.1766 0.2422 0.2422 0.7082 0.7082 0.8632 0.8632 0.8835 0.8835 1.1388 1.1388 1.3165 1.3165 1.3289 1.3289 1.4033 1.4033 1.4626 1.4626 1.5411 1.5411 1.5904 1.5904 1.7051 1.7051 1.7329 1.7329 1.9500 1.9500 1.9701 1.9701 2.1008 2.1008 2.1276 2.1276 2.2051 2.2051 2.2091 2.2091 2.3540 2.3540 2.3861 2.3861 2.4405 2.4405 2.5024 2.5024 2.6795 2.6795 2.7579 2.7579 4.9833 4.9833 5.0727 5.0727 5.3233 5.3233 5.3852 5.3852 5.4593 5.4593 5.5178 5.5178 5.7535 5.7535 5.7831 5.7831 5.9367 5.9367 5.9859 5.9859 k = 0.5000 0.8625 0.0424 ( 17110 PWs) bands (ev): -9.6736 -9.6736 -9.6734 -9.6734 -9.4913 -9.4913 -9.4910 -9.4910 -8.9779 -8.9779 -8.9762 -8.9762 -8.8026 -8.8026 -8.8014 -8.8014 -8.7524 -8.7524 -8.7498 -8.7498 -8.6895 -8.6895 -8.6872 -8.6872 -5.4535 -5.4535 -5.4500 -5.4500 -5.1228 -5.1228 -5.1189 -5.1189 -0.9214 -0.9214 -0.8740 -0.8740 -0.7807 -0.7807 -0.7786 -0.7786 -0.6619 -0.6619 -0.6179 -0.6179 -0.4154 -0.4154 -0.2805 -0.2805 -0.2037 -0.2037 -0.1256 -0.1256 0.1896 0.1896 0.2561 0.2561 0.7141 0.7141 0.8474 0.8474 0.8832 0.8832 1.1275 1.1275 1.3153 1.3153 1.3273 1.3273 1.4088 1.4088 1.4592 1.4592 1.5461 1.5461 1.5899 1.5899 1.7152 1.7152 1.7281 1.7281 1.9463 1.9463 1.9800 1.9800 2.1050 2.1050 2.1270 2.1270 2.2135 2.2135 2.2167 2.2167 2.3588 2.3588 2.3877 2.3877 2.4429 2.4429 2.4988 2.4988 2.6914 2.6914 2.7639 2.7639 4.9856 4.9856 5.0769 5.0769 5.3074 5.3074 5.3698 5.3698 5.4450 5.4450 5.5015 5.5015 5.7527 5.7527 5.7681 5.7681 5.9137 5.9137 5.9481 5.9481 k = 0.5000 0.8511 0.0111 ( 17104 PWs) bands (ev): -9.6785 -9.6785 -9.6783 -9.6783 -9.4832 -9.4832 -9.4829 -9.4829 -8.9809 -8.9809 -8.9794 -8.9794 -8.8043 -8.8043 -8.8033 -8.8033 -8.7492 -8.7492 -8.7466 -8.7466 -8.6909 -8.6909 -8.6887 -8.6887 -5.4596 -5.4596 -5.4564 -5.4564 -5.1163 -5.1163 -5.1127 -5.1127 -0.9273 -0.9273 -0.8834 -0.8834 -0.7941 -0.7941 -0.7865 -0.7865 -0.6601 -0.6601 -0.6254 -0.6254 -0.4076 -0.4076 -0.2801 -0.2801 -0.1891 -0.1891 -0.1186 -0.1186 0.2041 0.2041 0.2703 0.2703 0.7187 0.7187 0.8307 0.8307 0.8847 0.8847 1.1141 1.1141 1.3142 1.3142 1.3273 1.3273 1.4148 1.4148 1.4533 1.4533 1.5530 1.5530 1.5897 1.5897 1.7235 1.7235 1.7268 1.7268 1.9432 1.9432 1.9902 1.9902 2.1084 2.1084 2.1241 2.1241 2.2234 2.2234 2.2235 2.2235 2.3638 2.3638 2.3878 2.3878 2.4461 2.4461 2.4969 2.4969 2.7036 2.7036 2.7694 2.7694 4.9886 4.9886 5.0806 5.0806 5.2920 5.2920 5.3531 5.3531 5.4283 5.4283 5.4829 5.4829 5.7504 5.7504 5.7513 5.7513 5.8957 5.8957 5.9137 5.9137 k = 0.5000 0.8397-0.0203 ( 17108 PWs) bands (ev): -9.6834 -9.6834 -9.6832 -9.6832 -9.4753 -9.4753 -9.4751 -9.4751 -8.9834 -8.9834 -8.9820 -8.9820 -8.8063 -8.8063 -8.8054 -8.8054 -8.7459 -8.7459 -8.7435 -8.7435 -8.6923 -8.6923 -8.6901 -8.6901 -5.4654 -5.4654 -5.4625 -5.4625 -5.1102 -5.1102 -5.1069 -5.1069 -0.9339 -0.9339 -0.8950 -0.8950 -0.8049 -0.8049 -0.7949 -0.7949 -0.6567 -0.6567 -0.6296 -0.6296 -0.3995 -0.3995 -0.2812 -0.2812 -0.1757 -0.1757 -0.1132 -0.1132 0.2198 0.2198 0.2843 0.2843 0.7212 0.7212 0.8133 0.8133 0.8883 0.8883 1.0989 1.0989 1.3140 1.3140 1.3287 1.3287 1.4201 1.4201 1.4466 1.4466 1.5605 1.5605 1.5899 1.5899 1.7200 1.7200 1.7388 1.7388 1.9415 1.9415 2.0001 2.0001 2.1108 2.1108 2.1192 2.1192 2.2293 2.2293 2.2347 2.2347 2.3687 2.3687 2.3859 2.3859 2.4502 2.4502 2.4965 2.4965 2.7158 2.7158 2.7745 2.7745 4.9924 4.9924 5.0833 5.0833 5.2777 5.2777 5.3357 5.3357 5.4096 5.4096 5.4625 5.4625 5.7316 5.7316 5.7483 5.7483 5.8822 5.8822 5.8843 5.8843 k = 0.5000 0.8283-0.0517 ( 17116 PWs) bands (ev): -9.6880 -9.6880 -9.6879 -9.6879 -9.4679 -9.4679 -9.4677 -9.4677 -8.9855 -8.9855 -8.9842 -8.9842 -8.8085 -8.8085 -8.8076 -8.8076 -8.7429 -8.7429 -8.7406 -8.7406 -8.6936 -8.6936 -8.6915 -8.6915 -5.4708 -5.4708 -5.4682 -5.4682 -5.1047 -5.1047 -5.1017 -5.1017 -0.9410 -0.9410 -0.9078 -0.9078 -0.8132 -0.8132 -0.8030 -0.8030 -0.6524 -0.6524 -0.6312 -0.6312 -0.3911 -0.3911 -0.2838 -0.2838 -0.1636 -0.1636 -0.1092 -0.1092 0.2362 0.2362 0.2973 0.2973 0.7211 0.7211 0.7957 0.7957 0.8941 0.8941 1.0823 1.0823 1.3153 1.3153 1.3312 1.3312 1.4242 1.4242 1.4402 1.4402 1.5679 1.5679 1.5904 1.5904 1.7183 1.7183 1.7497 1.7497 1.9417 1.9417 2.0093 2.0093 2.1122 2.1122 2.1124 2.1124 2.2342 2.2342 2.2471 2.2471 2.3727 2.3727 2.3821 2.3821 2.4555 2.4555 2.4975 2.4975 2.7278 2.7278 2.7790 2.7790 4.9969 4.9969 5.0846 5.0846 5.2654 5.2654 5.3185 5.3185 5.3898 5.3898 5.4408 5.4408 5.7134 5.7134 5.7422 5.7422 5.8615 5.8615 5.8720 5.8720 k = 0.5000 0.8170-0.0831 ( 17122 PWs) bands (ev): -9.6922 -9.6922 -9.6921 -9.6921 -9.4611 -9.4611 -9.4609 -9.4609 -8.9871 -8.9871 -8.9859 -8.9859 -8.8106 -8.8106 -8.8099 -8.8099 -8.7401 -8.7401 -8.7381 -8.7381 -8.6947 -8.6947 -8.6928 -8.6928 -5.4757 -5.4757 -5.4735 -5.4735 -5.0998 -5.0998 -5.0971 -5.0971 -0.9482 -0.9482 -0.9209 -0.9209 -0.8193 -0.8193 -0.8103 -0.8103 -0.6476 -0.6476 -0.6311 -0.6311 -0.3825 -0.3825 -0.2877 -0.2877 -0.1527 -0.1527 -0.1065 -0.1065 0.2530 0.2530 0.3090 0.3090 0.7189 0.7189 0.7785 0.7785 0.9017 0.9017 1.0648 1.0648 1.3182 1.3182 1.3346 1.3346 1.4268 1.4268 1.4345 1.4345 1.5747 1.5747 1.5911 1.5911 1.7187 1.7187 1.7584 1.7584 1.9445 1.9445 2.0178 2.0178 2.1040 2.1040 2.1126 2.1126 2.2389 2.2389 2.2600 2.2600 2.3755 2.3755 2.3765 2.3765 2.4617 2.4617 2.4993 2.4993 2.7393 2.7393 2.7829 2.7829 5.0020 5.0020 5.0840 5.0840 5.2556 5.2556 5.3020 5.3020 5.3701 5.3701 5.4186 5.4186 5.6969 5.6969 5.7325 5.7325 5.8461 5.8461 5.8641 5.8641 k = 0.5000 0.8056-0.1145 ( 17140 PWs) bands (ev): -9.6959 -9.6959 -9.6958 -9.6958 -9.4551 -9.4551 -9.4549 -9.4549 -8.9883 -8.9883 -8.9873 -8.9873 -8.8127 -8.8127 -8.8120 -8.8120 -8.7376 -8.7376 -8.7358 -8.7358 -8.6956 -8.6956 -8.6939 -8.6939 -5.4799 -5.4799 -5.4781 -5.4781 -5.0955 -5.0955 -5.0932 -5.0932 -0.9550 -0.9550 -0.9335 -0.9335 -0.8238 -0.8238 -0.8165 -0.8165 -0.6427 -0.6427 -0.6301 -0.6301 -0.3738 -0.3738 -0.2927 -0.2927 -0.1428 -0.1428 -0.1048 -0.1048 0.2694 0.2694 0.3189 0.3189 0.7153 0.7153 0.7621 0.7621 0.9107 0.9107 1.0469 1.0469 1.3226 1.3226 1.3383 1.3383 1.4277 1.4277 1.4297 1.4297 1.5807 1.5807 1.5918 1.5918 1.7213 1.7213 1.7640 1.7640 1.9500 1.9500 2.0253 2.0253 2.0947 2.0947 2.1116 2.1116 2.2441 2.2441 2.2725 2.2725 2.3697 2.3697 2.3766 2.3766 2.4687 2.4687 2.5012 2.5012 2.7500 2.7500 2.7860 2.7860 5.0077 5.0077 5.0809 5.0809 5.2489 5.2489 5.2869 5.2869 5.3515 5.3515 5.3968 5.3968 5.6833 5.6833 5.7197 5.7197 5.8374 5.8374 5.8578 5.8578 k = 0.5000 0.7942-0.1459 ( 17144 PWs) bands (ev): -9.6991 -9.6991 -9.6990 -9.6990 -9.4501 -9.4501 -9.4499 -9.4499 -8.9891 -8.9891 -8.9883 -8.9883 -8.8145 -8.8145 -8.8140 -8.8140 -8.7355 -8.7355 -8.7340 -8.7340 -8.6964 -8.6964 -8.6949 -8.6949 -5.4835 -5.4835 -5.4820 -5.4820 -5.0919 -5.0919 -5.0900 -5.0900 -0.9611 -0.9611 -0.9447 -0.9447 -0.8272 -0.8272 -0.8216 -0.8216 -0.6381 -0.6381 -0.6286 -0.6286 -0.3649 -0.3649 -0.2987 -0.2987 -0.1341 -0.1341 -0.1040 -0.1040 0.2851 0.2851 0.3265 0.3265 0.7113 0.7113 0.7470 0.7470 0.9205 0.9205 1.0292 1.0292 1.3280 1.3280 1.3420 1.3420 1.4259 1.4259 1.4273 1.4273 1.5856 1.5856 1.5924 1.5924 1.7256 1.7256 1.7664 1.7664 1.9584 1.9584 2.0311 2.0311 2.0856 2.0856 2.1092 2.1092 2.2502 2.2502 2.2836 2.2836 2.3627 2.3627 2.3761 2.3761 2.4758 2.4758 2.5026 2.5026 2.7598 2.7598 2.7883 2.7883 5.0139 5.0139 5.0756 5.0756 5.2452 5.2452 5.2738 5.2738 5.3354 5.3354 5.3761 5.3761 5.6728 5.6728 5.7057 5.7057 5.8334 5.8334 5.8526 5.8526 k = 0.5000 0.7828-0.1773 ( 17128 PWs) bands (ev): -9.7016 -9.7016 -9.7015 -9.7015 -9.4460 -9.4460 -9.4459 -9.4459 -8.9896 -8.9896 -8.9890 -8.9890 -8.8160 -8.8160 -8.8156 -8.8156 -8.7338 -8.7338 -8.7326 -8.7326 -8.6969 -8.6969 -8.6958 -8.6958 -5.4863 -5.4863 -5.4852 -5.4852 -5.0890 -5.0890 -5.0876 -5.0876 -0.9659 -0.9659 -0.9541 -0.9541 -0.8296 -0.8296 -0.8256 -0.8256 -0.6340 -0.6340 -0.6272 -0.6272 -0.3560 -0.3560 -0.3055 -0.3055 -0.1265 -0.1265 -0.1042 -0.1042 0.2994 0.2994 0.3316 0.3316 0.7078 0.7078 0.7337 0.7337 0.9311 0.9311 1.0122 1.0122 1.3339 1.3339 1.3452 1.3452 1.4230 1.4230 1.4259 1.4259 1.5894 1.5894 1.5931 1.5931 1.7314 1.7314 1.7658 1.7658 1.9691 1.9691 2.0334 2.0334 2.0788 2.0788 2.1052 2.1052 2.2576 2.2576 2.2916 2.2916 2.3571 2.3571 2.3740 2.3740 2.4827 2.4827 2.5033 2.5033 2.7684 2.7684 2.7896 2.7896 5.0205 5.0205 5.0685 5.0685 5.2440 5.2440 5.2631 5.2631 5.3230 5.3230 5.3572 5.3572 5.6657 5.6657 5.6923 5.6923 5.8325 5.8325 5.8481 5.8481 k = 0.5000 0.7714-0.2087 ( 17138 PWs) bands (ev): -9.7034 -9.7034 -9.7033 -9.7033 -9.4431 -9.4431 -9.4430 -9.4430 -8.9899 -8.9899 -8.9895 -8.9895 -8.8171 -8.8171 -8.8169 -8.8169 -8.7325 -8.7325 -8.7317 -8.7317 -8.6972 -8.6972 -8.6964 -8.6964 -5.4883 -5.4883 -5.4875 -5.4875 -5.0868 -5.0868 -5.0859 -5.0859 -0.9691 -0.9691 -0.9615 -0.9615 -0.8311 -0.8311 -0.8286 -0.8286 -0.6306 -0.6306 -0.6262 -0.6262 -0.3471 -0.3471 -0.3131 -0.3131 -0.1200 -0.1200 -0.1053 -0.1053 0.3117 0.3117 0.3338 0.3338 0.7057 0.7057 0.7226 0.7226 0.9423 0.9423 0.9960 0.9960 1.3395 1.3395 1.3474 1.3474 1.4212 1.4212 1.4241 1.4241 1.5920 1.5920 1.5936 1.5936 1.7380 1.7380 1.7627 1.7627 1.9814 1.9814 2.0296 2.0296 2.0773 2.0773 2.0999 2.0999 2.2662 2.2662 2.2945 2.2945 2.3547 2.3547 2.3705 2.3705 2.4889 2.4889 2.5028 2.5028 2.7757 2.7757 2.7897 2.7897 5.0276 5.0276 5.0603 5.0603 5.2442 5.2442 5.2552 5.2552 5.3156 5.3156 5.3407 5.3407 5.6621 5.6621 5.6806 5.6806 5.8332 5.8332 5.8441 5.8441 k = 0.5000 0.7600-0.2401 ( 17150 PWs) bands (ev): -9.7045 -9.7045 -9.7045 -9.7045 -9.4413 -9.4413 -9.4412 -9.4412 -8.9901 -8.9901 -8.9898 -8.9898 -8.8178 -8.8178 -8.8177 -8.8177 -8.7317 -8.7317 -8.7312 -8.7312 -8.6973 -8.6973 -8.6969 -8.6969 -5.4894 -5.4894 -5.4890 -5.4890 -5.0854 -5.0854 -5.0850 -5.0850 -0.9705 -0.9705 -0.9667 -0.9667 -0.8317 -0.8317 -0.8305 -0.8305 -0.6281 -0.6281 -0.6259 -0.6259 -0.3383 -0.3383 -0.3211 -0.3211 -0.1147 -0.1147 -0.1073 -0.1073 0.3217 0.3217 0.3329 0.3329 0.7058 0.7058 0.7141 0.7141 0.9542 0.9542 0.9810 0.9810 1.3440 1.3440 1.3481 1.3481 1.4205 1.4205 1.4222 1.4222 1.5935 1.5935 1.5941 1.5941 1.7449 1.7449 1.7577 1.7577 1.9947 1.9947 2.0203 2.0203 2.0808 2.0808 2.0936 2.0936 2.2755 2.2755 2.2916 2.2916 2.3564 2.3564 2.3659 2.3659 2.4941 2.4941 2.5012 2.5012 2.7815 2.7815 2.7885 2.7885 5.0351 5.0351 5.0517 5.0517 5.2452 5.2452 5.2500 5.2500 5.3140 5.3140 5.3275 5.3275 5.6619 5.6619 5.6714 5.6714 5.8351 5.8351 5.8407 5.8407 k = 0.5000 0.7487-0.2715 ( 17144 PWs) bands (ev): -9.7048 -9.7048 -9.7048 -9.7048 -9.4407 -9.4407 -9.4407 -9.4407 -8.9900 -8.9900 -8.9900 -8.9900 -8.8180 -8.8180 -8.8180 -8.8180 -8.7312 -8.7312 -8.7312 -8.7312 -8.6972 -8.6972 -8.6972 -8.6972 -5.4897 -5.4897 -5.4897 -5.4897 -5.0848 -5.0848 -5.0848 -5.0848 -0.9697 -0.9697 -0.9697 -0.9697 -0.8316 -0.8316 -0.8316 -0.8316 -0.6265 -0.6265 -0.6265 -0.6265 -0.3296 -0.3296 -0.3296 -0.3296 -0.1104 -0.1104 -0.1104 -0.1104 0.3288 0.3288 0.3288 0.3288 0.7085 0.7085 0.7085 0.7085 0.9671 0.9671 0.9671 0.9671 1.3470 1.3470 1.3470 1.3470 1.4209 1.4209 1.4209 1.4209 1.5941 1.5941 1.5941 1.5941 1.7517 1.7517 1.7517 1.7517 2.0080 2.0080 2.0080 2.0080 2.0869 2.0869 2.0869 2.0869 2.2845 2.2845 2.2845 2.2845 2.3608 2.3608 2.3608 2.3608 2.4982 2.4982 2.4982 2.4982 2.7858 2.7858 2.7858 2.7858 5.0432 5.0432 5.0432 5.0432 5.2469 5.2469 5.2469 5.2469 5.3182 5.3182 5.3182 5.3182 5.6651 5.6651 5.6651 5.6651 5.8376 5.8376 5.8376 5.8376 k = 0.5000 0.7487-0.2715 ( 17144 PWs) bands (ev): -9.7048 -9.7048 -9.7048 -9.7048 -9.4407 -9.4407 -9.4407 -9.4407 -8.9900 -8.9900 -8.9900 -8.9900 -8.8180 -8.8180 -8.8180 -8.8180 -8.7312 -8.7312 -8.7312 -8.7312 -8.6972 -8.6972 -8.6972 -8.6972 -5.4897 -5.4897 -5.4897 -5.4897 -5.0848 -5.0848 -5.0848 -5.0848 -0.9697 -0.9697 -0.9697 -0.9697 -0.8316 -0.8316 -0.8316 -0.8316 -0.6265 -0.6265 -0.6265 -0.6265 -0.3296 -0.3296 -0.3296 -0.3296 -0.1104 -0.1104 -0.1104 -0.1104 0.3288 0.3288 0.3288 0.3288 0.7085 0.7085 0.7085 0.7085 0.9671 0.9671 0.9671 0.9671 1.3470 1.3470 1.3470 1.3470 1.4209 1.4209 1.4209 1.4209 1.5941 1.5941 1.5941 1.5941 1.7517 1.7517 1.7517 1.7517 2.0080 2.0080 2.0080 2.0080 2.0869 2.0869 2.0869 2.0869 2.2845 2.2845 2.2845 2.2845 2.3608 2.3608 2.3608 2.3608 2.4982 2.4982 2.4982 2.4982 2.7858 2.7858 2.7858 2.7858 5.0432 5.0432 5.0432 5.0432 5.2469 5.2469 5.2469 5.2469 5.3182 5.3182 5.3182 5.3182 5.6651 5.6651 5.6651 5.6651 5.8376 5.8376 5.8376 5.8376 k = 0.4667 0.7487-0.2715 ( 17150 PWs) bands (ev): -9.7184 -9.7184 -9.6908 -9.6908 -9.4421 -9.4421 -9.4395 -9.4395 -8.9946 -8.9946 -8.9848 -8.9848 -8.8284 -8.8284 -8.8080 -8.8080 -8.7316 -8.7316 -8.7312 -8.7312 -8.7001 -8.7001 -8.6944 -8.6944 -5.4930 -5.4930 -5.4859 -5.4859 -5.1029 -5.1029 -5.0671 -5.0671 -0.9787 -0.9787 -0.9611 -0.9611 -0.8492 -0.8492 -0.8134 -0.8134 -0.6462 -0.6462 -0.6032 -0.6032 -0.3366 -0.3366 -0.3226 -0.3226 -0.1182 -0.1182 -0.1021 -0.1021 0.3156 0.3156 0.3380 0.3380 0.6920 0.6920 0.7255 0.7255 0.9537 0.9537 0.9826 0.9826 1.3329 1.3329 1.3559 1.3559 1.4152 1.4152 1.4280 1.4280 1.5740 1.5740 1.6123 1.6123 1.7468 1.7468 1.7563 1.7563 1.9922 1.9922 2.0190 2.0190 2.0827 2.0827 2.0920 2.0920 2.2782 2.2782 2.2939 2.2939 2.3481 2.3481 2.3716 2.3716 2.4955 2.4955 2.5053 2.5053 2.7794 2.7794 2.7922 2.7922 5.0391 5.0391 5.0491 5.0491 5.2372 5.2372 5.2553 5.2553 5.3101 5.3101 5.3332 5.3332 5.6450 5.6450 5.6835 5.6835 5.8241 5.8241 5.8514 5.8514 k = 0.4333 0.7487-0.2715 ( 17154 PWs) bands (ev): -9.7313 -9.7313 -9.6763 -9.6763 -9.4439 -9.4439 -9.4388 -9.4388 -8.9986 -8.9986 -8.9791 -8.9791 -8.8391 -8.8391 -8.7984 -8.7984 -8.7324 -8.7324 -8.7314 -8.7314 -8.7031 -8.7031 -8.6918 -8.6918 -5.4959 -5.4959 -5.4817 -5.4817 -5.1213 -5.1213 -5.0499 -5.0499 -0.9876 -0.9876 -0.9534 -0.9534 -0.8655 -0.8655 -0.7958 -0.7958 -0.6606 -0.6606 -0.5775 -0.5775 -0.3438 -0.3438 -0.3160 -0.3160 -0.1251 -0.1251 -0.0933 -0.0933 0.2987 0.2987 0.3430 0.3430 0.6769 0.6769 0.7421 0.7421 0.9429 0.9429 0.9998 0.9998 1.3151 1.3151 1.3579 1.3579 1.4110 1.4110 1.4368 1.4368 1.5525 1.5525 1.6281 1.6281 1.7419 1.7419 1.7608 1.7608 1.9732 1.9732 2.0232 2.0232 2.0813 2.0813 2.0970 2.0970 2.2756 2.2756 2.3044 2.3044 2.3360 2.3360 2.3792 2.3792 2.4979 2.4979 2.5157 2.5157 2.7731 2.7731 2.7985 2.7985 5.0371 5.0371 5.0565 5.0565 5.2286 5.2286 5.2587 5.2587 5.3122 5.3122 5.3524 5.3524 5.6240 5.6240 5.6995 5.6995 5.8113 5.8113 5.8649 5.8649 k = 0.4000 0.7487-0.2715 ( 17142 PWs) bands (ev): -9.7435 -9.7435 -9.6614 -9.6614 -9.4459 -9.4459 -9.4386 -9.4386 -9.0018 -9.0018 -8.9729 -8.9729 -8.8500 -8.8500 -8.7893 -8.7893 -8.7335 -8.7335 -8.7320 -8.7320 -8.7061 -8.7061 -8.6893 -8.6893 -5.4984 -5.4984 -5.4770 -5.4770 -5.1398 -5.1398 -5.0333 -5.0333 -0.9961 -0.9961 -0.9474 -0.9474 -0.8800 -0.8800 -0.7806 -0.7806 -0.6675 -0.6675 -0.5503 -0.5503 -0.3509 -0.3509 -0.3098 -0.3098 -0.1310 -0.1310 -0.0842 -0.0842 0.2783 0.2783 0.3440 0.3440 0.6637 0.6637 0.7579 0.7579 0.9347 0.9347 1.0176 1.0176 1.2952 1.2952 1.3531 1.3531 1.4072 1.4072 1.4471 1.4471 1.5302 1.5302 1.6408 1.6408 1.7372 1.7372 1.7653 1.7653 1.9521 1.9521 2.0195 2.0195 2.0833 2.0833 2.1021 2.1021 2.2745 2.2745 2.3109 2.3109 2.3317 2.3317 2.3838 2.3838 2.5050 2.5050 2.5285 2.5285 2.7670 2.7670 2.8047 2.8047 5.0369 5.0369 5.0651 5.0651 5.2218 5.2218 5.2572 5.2572 5.3241 5.3241 5.3748 5.3748 5.6028 5.6028 5.7122 5.7122 5.8005 5.8005 5.8779 5.8779 k = 0.3667 0.7487-0.2715 ( 17140 PWs) bands (ev): -9.7549 -9.7549 -9.6463 -9.6463 -9.4480 -9.4480 -9.4389 -9.4389 -9.0044 -9.0044 -8.9663 -8.9663 -8.8611 -8.8611 -8.7807 -8.7807 -8.7349 -8.7349 -8.7328 -8.7328 -8.7091 -8.7091 -8.6871 -8.6871 -5.5006 -5.5006 -5.4718 -5.4718 -5.1582 -5.1582 -5.0175 -5.0175 -1.0042 -1.0042 -0.9439 -0.9439 -0.8924 -0.8924 -0.7693 -0.7693 -0.6649 -0.6649 -0.5228 -0.5228 -0.3576 -0.3576 -0.3043 -0.3043 -0.1355 -0.1355 -0.0748 -0.0748 0.2549 0.2549 0.3412 0.3412 0.6532 0.6532 0.7725 0.7725 0.9290 0.9290 1.0350 1.0350 1.2743 1.2743 1.3434 1.3434 1.4025 1.4025 1.4584 1.4584 1.5078 1.5078 1.6499 1.6499 1.7330 1.7330 1.7705 1.7705 1.9299 1.9299 2.0091 2.0091 2.0880 2.0880 2.1074 2.1074 2.2697 2.2697 2.3109 2.3109 2.3412 2.3412 2.3871 2.3871 2.5154 2.5154 2.5431 2.5431 2.7612 2.7612 2.8105 2.8105 5.0382 5.0382 5.0744 5.0744 5.2171 5.2171 5.2546 5.2546 5.3414 5.3414 5.3991 5.3991 5.5827 5.5827 5.7201 5.7201 5.7932 5.7932 5.8903 5.8903 k = 0.3333 0.7487-0.2715 ( 17126 PWs) bands (ev): -9.7656 -9.7656 -9.6310 -9.6310 -9.4501 -9.4501 -9.4398 -9.4398 -9.0063 -9.0063 -8.9594 -8.9594 -8.8721 -8.8721 -8.7727 -8.7727 -8.7366 -8.7366 -8.7338 -8.7338 -8.7121 -8.7121 -8.6851 -8.6851 -5.5025 -5.5025 -5.4661 -5.4661 -5.1765 -5.1765 -5.0026 -5.0026 -1.0116 -1.0116 -0.9434 -0.9434 -0.9026 -0.9026 -0.7611 -0.7611 -0.6531 -0.6531 -0.4961 -0.4961 -0.3635 -0.3635 -0.2995 -0.2995 -0.1384 -0.1384 -0.0654 -0.0654 0.2289 0.2289 0.3353 0.3353 0.6455 0.6455 0.7856 0.7856 0.9254 0.9254 1.0504 1.0504 1.2536 1.2536 1.3305 1.3305 1.3962 1.3962 1.4688 1.4688 1.4873 1.4873 1.6548 1.6548 1.7296 1.7296 1.7770 1.7770 1.9075 1.9075 1.9944 1.9944 2.0936 2.0936 2.1131 2.1131 2.2586 2.2586 2.3136 2.3136 2.3545 2.3545 2.3922 2.3922 2.5275 2.5275 2.5591 2.5591 2.7557 2.7557 2.8159 2.8159 5.0404 5.0404 5.0842 5.0842 5.2145 5.2145 5.2536 5.2536 5.3606 5.3606 5.4238 5.4238 5.5653 5.5653 5.7219 5.7219 5.7913 5.7913 5.9017 5.9017 k = 0.3000 0.7487-0.2715 ( 17140 PWs) bands (ev): -9.7754 -9.7754 -9.6156 -9.6156 -9.4523 -9.4523 -9.4414 -9.4414 -9.0075 -9.0075 -8.9524 -8.9524 -8.8831 -8.8831 -8.7655 -8.7655 -8.7386 -8.7386 -8.7350 -8.7350 -8.7150 -8.7150 -8.6833 -8.6833 -5.5041 -5.5041 -5.4599 -5.4599 -5.1945 -5.1945 -4.9887 -4.9887 -1.0182 -1.0182 -0.9458 -0.9458 -0.9112 -0.9112 -0.7536 -0.7536 -0.6349 -0.6349 -0.4723 -0.4723 -0.3672 -0.3672 -0.2958 -0.2958 -0.1395 -0.1395 -0.0559 -0.0559 0.2011 0.2011 0.3270 0.3270 0.6404 0.6404 0.7972 0.7972 0.9235 0.9235 1.0623 1.0623 1.2345 1.2345 1.3157 1.3157 1.3882 1.3882 1.4613 1.4613 1.4859 1.4859 1.6553 1.6553 1.7270 1.7270 1.7853 1.7853 1.8860 1.8860 1.9773 1.9773 2.0978 2.0978 2.1201 2.1201 2.2448 2.2448 2.3173 2.3173 2.3650 2.3650 2.4034 2.4034 2.5399 2.5399 2.5756 2.5756 2.7507 2.7507 2.8207 2.8207 5.0424 5.0424 5.0942 5.0942 5.2138 5.2138 5.2554 5.2554 5.3797 5.3797 5.4461 5.4461 5.5535 5.5535 5.7183 5.7183 5.7949 5.7949 5.9121 5.9121 k = 0.2667 0.7487-0.2715 ( 17124 PWs) bands (ev): -9.7842 -9.7842 -9.6004 -9.6004 -9.4544 -9.4544 -9.4438 -9.4438 -9.0080 -9.0080 -8.9454 -8.9454 -8.8938 -8.8938 -8.7590 -8.7590 -8.7406 -8.7406 -8.7362 -8.7362 -8.7177 -8.7177 -8.6818 -8.6818 -5.5054 -5.5054 -5.4532 -5.4532 -5.2121 -5.2121 -4.9759 -4.9759 -1.0241 -1.0241 -0.9499 -0.9499 -0.9191 -0.9191 -0.7444 -0.7444 -0.6132 -0.6132 -0.4544 -0.4544 -0.3666 -0.3666 -0.2930 -0.2930 -0.1386 -0.1386 -0.0466 -0.0466 0.1722 0.1722 0.3173 0.3173 0.6376 0.6376 0.8072 0.8072 0.9226 0.9226 1.0693 1.0693 1.2181 1.2181 1.3001 1.3001 1.3793 1.3793 1.4427 1.4427 1.4969 1.4969 1.6519 1.6519 1.7246 1.7246 1.7951 1.7951 1.8667 1.8667 1.9596 1.9596 2.0982 2.0982 2.1293 2.1293 2.2315 2.2315 2.3196 2.3196 2.3709 2.3709 2.4217 2.4217 2.5519 2.5519 2.5922 2.5922 2.7461 2.7461 2.8249 2.8249 5.0434 5.0434 5.1043 5.1043 5.2145 5.2145 5.2604 5.2604 5.3968 5.3968 5.4618 5.4618 5.5511 5.5511 5.7123 5.7123 5.8019 5.8019 5.9212 5.9212 k = 0.2333 0.7487-0.2715 ( 17124 PWs) bands (ev): -9.7922 -9.7922 -9.5853 -9.5853 -9.4564 -9.4564 -9.4469 -9.4469 -9.0079 -9.0079 -8.9385 -8.9385 -8.9042 -8.9042 -8.7540 -8.7540 -8.7421 -8.7421 -8.7374 -8.7374 -8.7202 -8.7202 -8.6806 -8.6806 -5.5065 -5.5065 -5.4461 -5.4461 -5.2291 -5.2291 -4.9644 -4.9644 -1.0292 -1.0292 -0.9545 -0.9545 -0.9269 -0.9269 -0.7329 -0.7329 -0.5905 -0.5905 -0.4454 -0.4454 -0.3596 -0.3596 -0.2906 -0.2906 -0.1358 -0.1358 -0.0376 -0.0376 0.1432 0.1432 0.3069 0.3069 0.6368 0.6368 0.8153 0.8153 0.9221 0.9221 1.0704 1.0704 1.2051 1.2051 1.2849 1.2849 1.3702 1.3702 1.4258 1.4258 1.5079 1.5079 1.6460 1.6460 1.7218 1.7218 1.8051 1.8051 1.8513 1.8513 1.9428 1.9428 2.0938 2.0938 2.1396 2.1396 2.2208 2.2208 2.3202 2.3202 2.3738 2.3738 2.4434 2.4434 2.5629 2.5629 2.6087 2.6087 2.7421 2.7421 2.8285 2.8285 5.0427 5.0427 5.1141 5.1141 5.2163 5.2163 5.2687 5.2687 5.4103 5.4103 5.4691 5.4691 5.5597 5.5597 5.7069 5.7069 5.8106 5.8106 5.9289 5.9289 k = 0.2000 0.7487-0.2715 ( 17124 PWs) bands (ev): -9.7991 -9.7991 -9.5705 -9.5705 -9.4582 -9.4582 -9.4509 -9.4509 -9.0072 -9.0072 -8.9320 -8.9320 -8.9139 -8.9139 -8.7516 -8.7516 -8.7419 -8.7419 -8.7386 -8.7386 -8.7224 -8.7224 -8.6796 -8.6796 -5.5074 -5.5074 -5.4387 -5.4387 -5.2453 -5.2453 -4.9542 -4.9542 -1.0335 -1.0335 -0.9589 -0.9589 -0.9346 -0.9346 -0.7192 -0.7192 -0.5685 -0.5685 -0.4447 -0.4447 -0.3483 -0.3483 -0.2872 -0.2872 -0.1317 -0.1317 -0.0291 -0.0291 0.1149 0.1149 0.2965 0.2965 0.6375 0.6375 0.8210 0.8210 0.9221 0.9221 1.0663 1.0663 1.1948 1.1948 1.2707 1.2707 1.3618 1.3618 1.4121 1.4121 1.5175 1.5175 1.6392 1.6392 1.7178 1.7178 1.8099 1.8099 1.8450 1.8450 1.9282 1.9282 2.0847 2.0847 2.1496 2.1496 2.2143 2.2143 2.3197 2.3197 2.3749 2.3749 2.4656 2.4656 2.5724 2.5724 2.6248 2.6248 2.7386 2.7386 2.8313 2.8313 5.0401 5.0401 5.1233 5.1233 5.2191 5.2191 5.2800 5.2800 5.4182 5.4182 5.4726 5.4726 5.5736 5.5736 5.7048 5.7048 5.8200 5.8200 5.9350 5.9350 k = 0.1667 0.7487-0.2715 ( 17120 PWs) bands (ev): -9.8050 -9.8050 -9.5562 -9.5562 -9.4598 -9.4598 -9.4557 -9.4557 -9.0061 -9.0061 -8.9264 -8.9264 -8.9225 -8.9225 -8.7523 -8.7523 -8.7402 -8.7402 -8.7387 -8.7387 -8.7244 -8.7244 -8.6789 -8.6789 -5.5081 -5.5081 -5.4310 -5.4310 -5.2605 -5.2605 -4.9454 -4.9454 -1.0370 -1.0370 -0.9625 -0.9625 -0.9420 -0.9420 -0.7039 -0.7039 -0.5491 -0.5491 -0.4480 -0.4480 -0.3386 -0.3386 -0.2806 -0.2806 -0.1267 -0.1267 -0.0214 -0.0214 0.0886 0.0886 0.2868 0.2868 0.6394 0.6394 0.8239 0.8239 0.9226 0.9226 1.0587 1.0587 1.1866 1.1866 1.2579 1.2579 1.3543 1.3543 1.4025 1.4025 1.5244 1.5244 1.6338 1.6338 1.7122 1.7122 1.8045 1.8045 1.8517 1.8517 1.9173 1.9173 2.0711 2.0711 2.1581 2.1581 2.2122 2.2122 2.3189 2.3189 2.3744 2.3744 2.4864 2.4864 2.5799 2.5799 2.6405 2.6405 2.7354 2.7354 2.8335 2.8335 5.0359 5.0359 5.1314 5.1314 5.2224 5.2224 5.2937 5.2937 5.4200 5.4200 5.4767 5.4767 5.5859 5.5859 5.7078 5.7078 5.8295 5.8295 5.9396 5.9396 k = 0.1333 0.7487-0.2715 ( 17122 PWs) bands (ev): -9.8099 -9.8099 -9.5424 -9.5424 -9.4616 -9.4616 -9.4611 -9.4611 -9.0047 -9.0047 -8.9315 -8.9315 -8.9202 -8.9202 -8.7542 -8.7542 -8.7409 -8.7409 -8.7358 -8.7358 -8.7259 -8.7259 -8.6783 -8.6783 -5.5086 -5.5086 -5.4234 -5.4234 -5.2744 -5.2744 -4.9381 -4.9381 -1.0398 -1.0398 -0.9653 -0.9653 -0.9487 -0.9487 -0.6880 -0.6880 -0.5347 -0.5347 -0.4510 -0.4510 -0.3344 -0.3344 -0.2697 -0.2697 -0.1217 -0.1217 -0.0147 -0.0147 0.0651 0.0651 0.2781 0.2781 0.6422 0.6422 0.8235 0.8235 0.9243 0.9243 1.0492 1.0492 1.1804 1.1804 1.2457 1.2457 1.3476 1.3476 1.3979 1.3979 1.5276 1.5276 1.6318 1.6318 1.7050 1.7050 1.7952 1.7952 1.8627 1.8627 1.9126 1.9126 2.0540 2.0540 2.1647 2.1647 2.2135 2.2135 2.3187 2.3187 2.3723 2.3723 2.5049 2.5049 2.5852 2.5852 2.6556 2.6556 2.7323 2.7323 2.8351 2.8351 5.0308 5.0308 5.1381 5.1381 5.2258 5.2258 5.3092 5.3092 5.4172 5.4172 5.4819 5.4819 5.5935 5.5935 5.7161 5.7161 5.8384 5.8384 5.9426 5.9426 k = 0.1000 0.7487-0.2715 ( 17102 PWs) bands (ev): -9.8137 -9.8137 -9.5293 -9.5293 -9.4682 -9.4682 -9.4623 -9.4623 -9.0030 -9.0030 -8.9383 -8.9383 -8.9158 -8.9158 -8.7562 -8.7562 -8.7417 -8.7417 -8.7333 -8.7333 -8.7269 -8.7269 -8.6779 -8.6779 -5.5090 -5.5090 -5.4162 -5.4162 -5.2865 -5.2865 -4.9324 -4.9324 -1.0420 -1.0420 -0.9670 -0.9670 -0.9546 -0.9546 -0.6725 -0.6725 -0.5276 -0.5276 -0.4503 -0.4503 -0.3349 -0.3349 -0.2568 -0.2568 -0.1174 -0.1174 -0.0093 -0.0093 0.0456 0.0456 0.2710 0.2710 0.6454 0.6454 0.8206 0.8206 0.9275 0.9275 1.0392 1.0392 1.1769 1.1769 1.2341 1.2341 1.3416 1.3416 1.3978 1.3978 1.5267 1.5267 1.6344 1.6344 1.6961 1.6961 1.7865 1.7865 1.8701 1.8701 1.9171 1.9171 2.0346 2.0346 2.1696 2.1696 2.2161 2.2161 2.3197 2.3197 2.3688 2.3688 2.5204 2.5204 2.5884 2.5884 2.6697 2.6697 2.7290 2.7290 2.8361 2.8361 5.0257 5.0257 5.1432 5.1432 5.2288 5.2288 5.3259 5.3259 5.4109 5.4109 5.4869 5.4869 5.5965 5.5965 5.7276 5.7276 5.8461 5.8461 5.9442 5.9442 k = 0.0667 0.7487-0.2715 ( 17100 PWs) bands (ev): -9.8165 -9.8165 -9.5170 -9.5170 -9.4759 -9.4759 -9.4631 -9.4631 -9.0015 -9.0015 -8.9437 -8.9437 -8.9124 -8.9124 -8.7578 -8.7578 -8.7424 -8.7424 -8.7317 -8.7317 -8.7273 -8.7273 -8.6777 -8.6777 -5.5093 -5.5093 -5.4101 -5.4101 -5.2963 -5.2963 -4.9282 -4.9282 -1.0435 -1.0435 -0.9677 -0.9677 -0.9594 -0.9594 -0.6588 -0.6588 -0.5275 -0.5275 -0.4456 -0.4456 -0.3377 -0.3377 -0.2450 -0.2450 -0.1143 -0.1143 -0.0054 -0.0054 0.0311 0.0311 0.2657 0.2657 0.6485 0.6485 0.8164 0.8164 0.9316 0.9316 1.0298 1.0298 1.1762 1.1762 1.2234 1.2234 1.3369 1.3369 1.4003 1.4003 1.5232 1.5232 1.6413 1.6413 1.6858 1.6858 1.7796 1.7796 1.8722 1.8722 1.9308 1.9308 2.0137 2.0137 2.1733 2.1733 2.2184 2.2184 2.3220 2.3220 2.3646 2.3646 2.5322 2.5322 2.5898 2.5898 2.6818 2.6818 2.7254 2.7254 2.8367 2.8367 5.0213 5.0213 5.1468 5.1468 5.2312 5.2312 5.3430 5.3430 5.4018 5.4018 5.4910 5.4910 5.5971 5.5971 5.7387 5.7387 5.8519 5.8519 5.9448 5.9448 k = 0.0333 0.7487-0.2715 ( 17088 PWs) bands (ev): -9.8181 -9.8181 -9.5057 -9.5057 -9.4843 -9.4843 -9.4636 -9.4636 -9.0003 -9.0003 -8.9471 -8.9471 -8.9103 -8.9103 -8.7589 -8.7589 -8.7428 -8.7428 -8.7312 -8.7312 -8.7271 -8.7271 -8.6776 -8.6776 -5.5095 -5.5095 -5.4058 -5.4058 -5.3027 -5.3027 -4.9257 -4.9257 -1.0443 -1.0443 -0.9674 -0.9674 -0.9631 -0.9631 -0.6491 -0.6491 -0.5304 -0.5304 -0.4405 -0.4405 -0.3406 -0.3406 -0.2369 -0.2369 -0.1126 -0.1126 -0.0032 -0.0032 0.0222 0.0222 0.2624 0.2624 0.6507 0.6507 0.8128 0.8128 0.9352 0.9352 1.0228 1.0228 1.1776 1.1776 1.2150 1.2150 1.3338 1.3338 1.4032 1.4032 1.5196 1.5196 1.6512 1.6512 1.6745 1.6745 1.7752 1.7752 1.8722 1.8722 1.9493 1.9493 1.9923 1.9923 2.1757 2.1757 2.2198 2.2198 2.3246 2.3246 2.3609 2.3609 2.5398 2.5398 2.5901 2.5901 2.6908 2.6908 2.7219 2.7219 2.8371 2.8371 5.0184 5.0184 5.1489 5.1489 5.2327 5.2327 5.3599 5.3599 5.3900 5.3900 5.4937 5.4937 5.5968 5.5968 5.7466 5.7466 5.8556 5.8556 5.9449 5.9449 k = 0.0000 0.7487-0.2715 ( 17086 PWs) bands (ev): -9.8187 -9.8187 -9.4979 -9.4979 -9.4912 -9.4912 -9.4638 -9.4638 -8.9999 -8.9999 -8.9483 -8.9483 -8.9096 -8.9096 -8.7592 -8.7592 -8.7429 -8.7429 -8.7311 -8.7311 -8.7269 -8.7269 -8.6775 -8.6775 -5.5095 -5.5095 -5.4043 -5.4043 -5.3050 -5.3050 -4.9249 -4.9249 -1.0446 -1.0446 -0.9666 -0.9666 -0.9651 -0.9651 -0.6454 -0.6454 -0.5320 -0.5320 -0.4383 -0.4383 -0.3418 -0.3418 -0.2340 -0.2340 -0.1121 -0.1121 -0.0025 -0.0025 0.0192 0.0192 0.2614 0.2614 0.6515 0.6515 0.8115 0.8115 0.9367 0.9367 1.0202 1.0202 1.1786 1.1786 1.2116 1.2116 1.3327 1.3327 1.4044 1.4044 1.5181 1.5181 1.6616 1.6616 1.6636 1.6636 1.7737 1.7737 1.8721 1.8721 1.9668 1.9668 1.9740 1.9740 2.1766 2.1766 2.2202 2.2202 2.3259 2.3259 2.3593 2.3593 2.5425 2.5425 2.5901 2.5901 2.6944 2.6944 2.7202 2.7202 2.8372 2.8372 5.0174 5.0174 5.1496 5.1496 5.2332 5.2332 5.3756 5.3756 5.3760 5.3760 5.4947 5.4947 5.5966 5.5966 5.7495 5.7495 5.8568 5.8568 5.9449 5.9449 k = 0.0000 0.7487-0.2715 ( 17086 PWs) bands (ev): -9.8187 -9.8187 -9.4979 -9.4979 -9.4912 -9.4912 -9.4638 -9.4638 -8.9999 -8.9999 -8.9483 -8.9483 -8.9096 -8.9096 -8.7592 -8.7592 -8.7429 -8.7429 -8.7311 -8.7311 -8.7269 -8.7269 -8.6775 -8.6775 -5.5095 -5.5095 -5.4043 -5.4043 -5.3050 -5.3050 -4.9249 -4.9249 -1.0446 -1.0446 -0.9666 -0.9666 -0.9651 -0.9651 -0.6454 -0.6454 -0.5320 -0.5320 -0.4383 -0.4383 -0.3418 -0.3418 -0.2340 -0.2340 -0.1121 -0.1121 -0.0025 -0.0025 0.0192 0.0192 0.2614 0.2614 0.6515 0.6515 0.8115 0.8115 0.9367 0.9367 1.0202 1.0202 1.1786 1.1786 1.2116 1.2116 1.3327 1.3327 1.4044 1.4044 1.5181 1.5181 1.6616 1.6616 1.6636 1.6636 1.7737 1.7737 1.8721 1.8721 1.9668 1.9668 1.9740 1.9740 2.1766 2.1766 2.2202 2.2202 2.3259 2.3259 2.3593 2.3593 2.5425 2.5425 2.5901 2.5901 2.6944 2.6944 2.7202 2.7202 2.8372 2.8372 5.0174 5.0174 5.1496 5.1496 5.2332 5.2332 5.3756 5.3756 5.3760 5.3760 5.4947 5.4947 5.5966 5.5966 5.7495 5.7495 5.8568 5.8568 5.9449 5.9449 k = 0.0000 0.7600-0.2401 ( 17090 PWs) bands (ev): -9.8181 -9.8181 -9.4977 -9.4977 -9.4930 -9.4930 -9.4630 -9.4630 -8.9995 -8.9995 -8.9483 -8.9483 -8.9093 -8.9093 -8.7599 -8.7599 -8.7461 -8.7461 -8.7298 -8.7298 -8.7249 -8.7249 -8.6776 -8.6776 -5.5096 -5.5096 -5.4029 -5.4029 -5.3055 -5.3055 -4.9255 -4.9255 -1.0449 -1.0449 -0.9682 -0.9682 -0.9614 -0.9614 -0.6452 -0.6452 -0.5321 -0.5321 -0.4374 -0.4374 -0.3427 -0.3427 -0.2349 -0.2349 -0.1129 -0.1129 -0.0031 -0.0031 0.0210 0.0210 0.2609 0.2609 0.6477 0.6477 0.8126 0.8126 0.9391 0.9391 1.0214 1.0214 1.1746 1.1746 1.2164 1.2164 1.3321 1.3321 1.4015 1.4015 1.5165 1.5165 1.6462 1.6462 1.6800 1.6800 1.7737 1.7737 1.8719 1.8719 1.9639 1.9639 1.9749 1.9749 2.1779 2.1779 2.2205 2.2205 2.3257 2.3257 2.3591 2.3591 2.5420 2.5420 2.5898 2.5898 2.6933 2.6933 2.7201 2.7201 2.8374 2.8374 5.0196 5.0196 5.1498 5.1498 5.2355 5.2355 5.3663 5.3663 5.3847 5.3847 5.4954 5.4954 5.5988 5.5988 5.7501 5.7501 5.8586 5.8586 5.9440 5.9440 k = 0.0000 0.7714-0.2087 ( 17102 PWs) bands (ev): -9.8166 -9.8166 -9.4980 -9.4980 -9.4972 -9.4972 -9.4613 -9.4613 -8.9982 -8.9982 -8.9481 -8.9481 -8.9083 -8.9083 -8.7617 -8.7617 -8.7523 -8.7523 -8.7281 -8.7281 -8.7198 -8.7198 -8.6778 -8.6778 -5.5096 -5.5096 -5.3990 -5.3990 -5.3072 -5.3072 -4.9274 -4.9274 -1.0456 -1.0456 -0.9692 -0.9692 -0.9544 -0.9544 -0.6443 -0.6443 -0.5326 -0.5326 -0.4347 -0.4347 -0.3454 -0.3454 -0.2373 -0.2373 -0.1152 -0.1152 -0.0043 -0.0043 0.0257 0.0257 0.2594 0.2594 0.6376 0.6376 0.8147 0.8147 0.9461 0.9461 1.0251 1.0251 1.1661 1.1661 1.2266 1.2266 1.3303 1.3303 1.3935 1.3935 1.5113 1.5113 1.6325 1.6325 1.6967 1.6967 1.7737 1.7737 1.8714 1.8714 1.9565 1.9565 1.9762 1.9762 2.1813 2.1813 2.2216 2.2216 2.3252 2.3252 2.3585 2.3585 2.5408 2.5408 2.5888 2.5888 2.6898 2.6898 2.7200 2.7200 2.8383 2.8383 5.0262 5.0262 5.1507 5.1507 5.2421 5.2421 5.3566 5.3566 5.3927 5.3927 5.4973 5.4973 5.6054 5.6054 5.7518 5.7518 5.8639 5.8639 5.9413 5.9413 k = 0.0000 0.7828-0.1773 ( 17103 PWs) bands (ev): -9.8140 -9.8140 -9.5053 -9.5053 -9.4965 -9.4965 -9.4592 -9.4592 -8.9961 -8.9961 -8.9477 -8.9477 -8.9066 -8.9066 -8.7645 -8.7645 -8.7592 -8.7592 -8.7264 -8.7264 -8.7139 -8.7139 -8.6781 -8.6781 -5.5094 -5.5094 -5.3927 -5.3927 -5.3099 -5.3099 -4.9305 -4.9305 -1.0464 -1.0464 -0.9697 -0.9697 -0.9442 -0.9442 -0.6430 -0.6430 -0.5332 -0.5332 -0.4305 -0.4305 -0.3498 -0.3498 -0.2407 -0.2407 -0.1192 -0.1192 -0.0056 -0.0056 0.0327 0.0327 0.2568 0.2568 0.6240 0.6240 0.8149 0.8149 0.9570 0.9570 1.0320 1.0320 1.1563 1.1563 1.2381 1.2381 1.3283 1.3283 1.3818 1.3818 1.5015 1.5015 1.6223 1.6223 1.7115 1.7115 1.7738 1.7738 1.8706 1.8706 1.9466 1.9466 1.9774 1.9774 2.1859 2.1859 2.2233 2.2233 2.3244 2.3244 2.3576 2.3576 2.5390 2.5390 2.5869 2.5869 2.6842 2.6842 2.7201 2.7201 2.8397 2.8397 5.0363 5.0363 5.1524 5.1524 5.2525 5.2525 5.3476 5.3476 5.3998 5.3998 5.5005 5.5005 5.6158 5.6158 5.7547 5.7547 5.8727 5.8727 5.9371 5.9371 k = 0.0000 0.7942-0.1459 ( 17087 PWs) bands (ev): -9.8104 -9.8104 -9.5146 -9.5146 -9.4955 -9.4955 -9.4570 -9.4570 -8.9934 -8.9934 -8.9472 -8.9472 -8.9043 -8.9043 -8.7683 -8.7683 -8.7661 -8.7661 -8.7246 -8.7246 -8.7080 -8.7080 -8.6785 -8.6785 -5.5089 -5.5089 -5.3844 -5.3844 -5.3137 -5.3137 -4.9349 -4.9349 -1.0469 -1.0469 -0.9700 -0.9700 -0.9312 -0.9312 -0.6411 -0.6411 -0.5336 -0.5336 -0.4256 -0.4256 -0.3556 -0.3556 -0.2442 -0.2442 -0.1253 -0.1253 -0.0070 -0.0070 0.0412 0.0412 0.2527 0.2527 0.6095 0.6095 0.8119 0.8119 0.9693 0.9693 1.0435 1.0435 1.1459 1.1459 1.2482 1.2482 1.3272 1.3272 1.3683 1.3683 1.4877 1.4877 1.6151 1.6151 1.7236 1.7236 1.7739 1.7739 1.8697 1.8697 1.9358 1.9358 1.9785 1.9785 2.1904 2.1904 2.2258 2.2258 2.3232 2.3232 2.3563 2.3563 2.5373 2.5373 2.5838 2.5838 2.6765 2.6765 2.7205 2.7205 2.8416 2.8416 5.0488 5.0488 5.1553 5.1553 5.2652 5.2652 5.3404 5.3404 5.4062 5.4062 5.5051 5.5051 5.6294 5.6294 5.7587 5.7587 5.8850 5.8850 5.9317 5.9317 k = 0.0000 0.8056-0.1145 ( 17092 PWs) bands (ev): -9.8058 -9.8058 -9.5255 -9.5255 -9.4942 -9.4942 -9.4551 -9.4551 -8.9900 -8.9900 -8.9466 -8.9466 -8.9014 -8.9014 -8.7746 -8.7746 -8.7711 -8.7711 -8.7228 -8.7228 -8.7023 -8.7023 -8.6791 -8.6791 -5.5078 -5.5078 -5.3742 -5.3742 -5.3185 -5.3185 -4.9405 -4.9405 -1.0470 -1.0470 -0.9702 -0.9702 -0.9156 -0.9156 -0.6386 -0.6386 -0.5335 -0.5335 -0.4207 -0.4207 -0.3621 -0.3621 -0.2472 -0.2472 -0.1333 -0.1333 -0.0083 -0.0083 0.0507 0.0507 0.2469 0.2469 0.5961 0.5961 0.8056 0.8056 0.9795 0.9795 1.0606 1.0606 1.1348 1.1348 1.2547 1.2547 1.3277 1.3277 1.3554 1.3554 1.4719 1.4719 1.6093 1.6093 1.7326 1.7326 1.7738 1.7738 1.8680 1.8680 1.9259 1.9259 1.9796 1.9796 2.1933 2.1933 2.2292 2.2292 2.3219 2.3219 2.3548 2.3548 2.5358 2.5358 2.5793 2.5793 2.6668 2.6668 2.7217 2.7217 2.8441 2.8441 5.0621 5.0621 5.1600 5.1600 5.2779 5.2779 5.3367 5.3367 5.4126 5.4126 5.5112 5.5112 5.6450 5.6450 5.7641 5.7641 5.9006 5.9006 5.9257 5.9257 k = 0.0000 0.8170-0.0831 ( 17107 PWs) bands (ev): -9.8003 -9.8003 -9.5378 -9.5378 -9.4926 -9.4926 -9.4534 -9.4534 -8.9862 -8.9862 -8.9458 -8.9458 -8.8980 -8.8980 -8.7819 -8.7819 -8.7754 -8.7754 -8.7210 -8.7210 -8.6969 -8.6969 -8.6796 -8.6796 -5.5060 -5.5060 -5.3625 -5.3625 -5.3242 -5.3242 -4.9474 -4.9474 -1.0465 -1.0465 -0.9704 -0.9704 -0.8979 -0.8979 -0.6356 -0.6356 -0.5328 -0.5328 -0.4177 -0.4177 -0.3674 -0.3674 -0.2491 -0.2491 -0.1432 -0.1432 -0.0099 -0.0099 0.0605 0.0605 0.2396 0.2396 0.5850 0.5850 0.7970 0.7970 0.9856 0.9856 1.0817 1.0817 1.1237 1.1237 1.2564 1.2564 1.3256 1.3256 1.3490 1.3490 1.4566 1.4566 1.6034 1.6034 1.7388 1.7388 1.7732 1.7732 1.8650 1.8650 1.9181 1.9181 1.9808 1.9808 2.1939 2.1939 2.2337 2.2337 2.3207 2.3207 2.3529 2.3529 2.5349 2.5349 2.5733 2.5733 2.6555 2.6555 2.7237 2.7237 2.8469 2.8469 5.0747 5.0747 5.1665 5.1665 5.2878 5.2878 5.3388 5.3388 5.4196 5.4196 5.5190 5.5190 5.6609 5.6609 5.7712 5.7712 5.9152 5.9152 5.9242 5.9242 k = 0.0000 0.8283-0.0517 ( 17097 PWs) bands (ev): -9.7938 -9.7938 -9.5514 -9.5514 -9.4909 -9.4909 -9.4519 -9.4519 -8.9821 -8.9821 -8.9448 -8.9448 -8.8940 -8.8940 -8.7892 -8.7892 -8.7798 -8.7798 -8.7194 -8.7194 -8.6919 -8.6919 -8.6802 -8.6802 -5.5033 -5.5033 -5.3496 -5.3496 -5.3309 -5.3309 -4.9555 -4.9555 -1.0455 -1.0455 -0.9707 -0.9707 -0.8782 -0.8782 -0.6322 -0.6322 -0.5313 -0.5313 -0.4185 -0.4185 -0.3695 -0.3695 -0.2496 -0.2496 -0.1548 -0.1548 -0.0120 -0.0120 0.0698 0.0698 0.2310 0.2310 0.5770 0.5770 0.7868 0.7868 0.9877 0.9877 1.0955 1.0955 1.1208 1.1208 1.2539 1.2539 1.3170 1.3170 1.3531 1.3531 1.4442 1.4442 1.5969 1.5969 1.7425 1.7425 1.7717 1.7717 1.8607 1.8607 1.9126 1.9126 1.9824 1.9824 2.1922 2.1922 2.2388 2.2388 2.3195 2.3195 2.3509 2.3509 2.5346 2.5346 2.5660 2.5660 2.6429 2.6429 2.7265 2.7265 2.8501 2.8501 5.0851 5.0851 5.1747 5.1747 5.2937 5.2937 5.3469 5.3469 5.4279 5.4279 5.5289 5.5289 5.6748 5.6748 5.7811 5.7811 5.9126 5.9126 5.9441 5.9441 k = 0.0000 0.8397-0.0203 ( 17110 PWs) bands (ev): -9.7863 -9.7863 -9.5661 -9.5661 -9.4890 -9.4890 -9.4507 -9.4507 -8.9777 -8.9777 -8.9436 -8.9436 -8.8895 -8.8895 -8.7964 -8.7964 -8.7844 -8.7844 -8.7181 -8.7181 -8.6873 -8.6873 -8.6808 -8.6808 -5.4997 -5.4997 -5.3385 -5.3385 -5.3356 -5.3356 -4.9649 -4.9649 -1.0439 -1.0439 -0.9711 -0.9711 -0.8570 -0.8570 -0.6283 -0.6283 -0.5291 -0.5291 -0.4239 -0.4239 -0.3673 -0.3673 -0.2488 -0.2488 -0.1677 -0.1677 -0.0149 -0.0149 0.0778 0.0778 0.2220 0.2220 0.5723 0.5723 0.7759 0.7759 0.9861 0.9861 1.0860 1.0860 1.1387 1.1387 1.2484 1.2484 1.3092 1.3092 1.3597 1.3597 1.4367 1.4367 1.5902 1.5902 1.7440 1.7440 1.7696 1.7696 1.8561 1.8561 1.9082 1.9082 1.9845 1.9845 2.1887 2.1887 2.2441 2.2441 2.3181 2.3181 2.3490 2.3490 2.5345 2.5345 2.5577 2.5577 2.6295 2.6295 2.7300 2.7300 2.8534 2.8534 5.0930 5.0930 5.1831 5.1831 5.2982 5.2982 5.3581 5.3581 5.4379 5.4379 5.5412 5.5412 5.6845 5.6845 5.7948 5.7948 5.9096 5.9096 5.9695 5.9695 k = 0.0000 0.8511 0.0111 ( 17118 PWs) bands (ev): -9.7780 -9.7780 -9.5817 -9.5817 -9.4870 -9.4870 -9.4496 -9.4496 -8.9732 -8.9732 -8.9422 -8.9422 -8.8846 -8.8846 -8.8033 -8.8033 -8.7889 -8.7889 -8.7171 -8.7171 -8.6834 -8.6834 -8.6810 -8.6810 -5.4951 -5.4951 -5.3468 -5.3468 -5.3210 -5.3210 -4.9756 -4.9756 -1.0418 -1.0418 -0.9716 -0.9716 -0.8346 -0.8346 -0.6239 -0.6239 -0.5264 -0.5264 -0.4316 -0.4316 -0.3625 -0.3625 -0.2468 -0.2468 -0.1814 -0.1814 -0.0188 -0.0188 0.0834 0.0834 0.2137 0.2137 0.5711 0.5711 0.7647 0.7647 0.9814 0.9814 1.0698 1.0698 1.1570 1.1570 1.2404 1.2404 1.3073 1.3073 1.3641 1.3641 1.4352 1.4352 1.5844 1.5844 1.7431 1.7431 1.7672 1.7672 1.8523 1.8523 1.9037 1.9037 1.9869 1.9869 2.1843 2.1843 2.2487 2.2487 2.3162 2.3162 2.3480 2.3480 2.5334 2.5334 2.5498 2.5498 2.6160 2.6160 2.7339 2.7339 2.8566 2.8566 5.0987 5.0987 5.1902 5.1902 5.3037 5.3037 5.3694 5.3694 5.4495 5.4495 5.5554 5.5554 5.6886 5.6886 5.8123 5.8123 5.9102 5.9102 5.9977 5.9977 k = 0.0000 0.8625 0.0424 ( 17121 PWs) bands (ev): -9.7689 -9.7689 -9.5981 -9.5981 -9.4849 -9.4849 -9.4488 -9.4488 -8.9687 -8.9687 -8.9406 -8.9406 -8.8792 -8.8792 -8.8100 -8.8100 -8.7934 -8.7934 -8.7166 -8.7166 -8.6821 -8.6821 -8.6788 -8.6788 -5.4895 -5.4895 -5.3558 -5.3558 -5.3058 -5.3058 -4.9875 -4.9875 -1.0394 -1.0394 -0.9723 -0.9723 -0.8115 -0.8115 -0.6191 -0.6191 -0.5239 -0.5239 -0.4391 -0.4391 -0.3570 -0.3570 -0.2441 -0.2441 -0.1950 -0.1950 -0.0242 -0.0242 0.0855 0.0855 0.2076 0.2076 0.5732 0.5732 0.7539 0.7539 0.9737 0.9737 1.0522 1.0522 1.1679 1.1679 1.2313 1.2313 1.3136 1.3136 1.3654 1.3654 1.4387 1.4387 1.5809 1.5809 1.7397 1.7397 1.7650 1.7650 1.8501 1.8501 1.8983 1.8983 1.9895 1.9895 2.1800 2.1800 2.2519 2.2519 2.3131 2.3131 2.3483 2.3483 2.5282 2.5282 2.5454 2.5454 2.6031 2.6031 2.7378 2.7378 2.8596 2.8596 5.1025 5.1025 5.1953 5.1953 5.3107 5.3107 5.3795 5.3795 5.4625 5.4625 5.5707 5.5707 5.6880 5.6880 5.8313 5.8313 5.9163 5.9163 6.0279 6.0279 k = 0.0000 0.8739 0.0738 ( 17112 PWs) bands (ev): -9.7590 -9.7590 -9.6150 -9.6150 -9.4828 -9.4828 -9.4483 -9.4483 -8.9643 -8.9643 -8.9388 -8.9388 -8.8735 -8.8735 -8.8164 -8.8164 -8.7977 -8.7977 -8.7164 -8.7164 -8.6822 -8.6822 -8.6756 -8.6756 -5.4830 -5.4830 -5.3654 -5.3654 -5.2901 -5.2901 -5.0006 -5.0006 -1.0367 -1.0367 -0.9730 -0.9730 -0.7880 -0.7880 -0.6140 -0.6140 -0.5227 -0.5227 -0.4439 -0.4439 -0.3523 -0.3523 -0.2426 -0.2426 -0.2066 -0.2066 -0.0309 -0.0309 0.0833 0.0833 0.2051 0.2051 0.5783 0.5783 0.7435 0.7435 0.9633 0.9633 1.0345 1.0345 1.1702 1.1702 1.2222 1.2222 1.3265 1.3265 1.3649 1.3649 1.4451 1.4451 1.5808 1.5808 1.7335 1.7335 1.7634 1.7634 1.8495 1.8495 1.8924 1.8924 1.9920 1.9920 2.1764 2.1764 2.2529 2.2529 2.3087 2.3087 2.3504 2.3504 2.5185 2.5185 2.5446 2.5446 2.5918 2.5918 2.7415 2.7415 2.8623 2.8623 5.1049 5.1049 5.1984 5.1984 5.3185 5.3185 5.3878 5.3878 5.4772 5.4772 5.5852 5.5852 5.6851 5.6851 5.8481 5.8481 5.9303 5.9303 6.0593 6.0593 k = 0.0000 0.8852 0.1052 ( 17111 PWs) bands (ev): -9.7483 -9.7483 -9.6324 -9.6324 -9.4807 -9.4807 -9.4480 -9.4480 -8.9600 -8.9600 -8.9368 -8.9368 -8.8676 -8.8676 -8.8224 -8.8224 -8.8019 -8.8019 -8.7168 -8.7168 -8.6821 -8.6821 -8.6726 -8.6726 -5.4757 -5.4757 -5.3756 -5.3756 -5.2742 -5.2742 -5.0149 -5.0149 -1.0339 -1.0339 -0.9739 -0.9739 -0.7648 -0.7648 -0.6085 -0.6085 -0.5236 -0.5236 -0.4444 -0.4444 -0.3496 -0.3496 -0.2464 -0.2464 -0.2117 -0.2117 -0.0390 -0.0390 0.0770 0.0770 0.2065 0.2065 0.5863 0.5863 0.7339 0.7339 0.9506 0.9506 1.0179 1.0179 1.1661 1.1661 1.2138 1.2138 1.3405 1.3405 1.3648 1.3648 1.4537 1.4537 1.5845 1.5845 1.7249 1.7249 1.7627 1.7627 1.8498 1.8498 1.8868 1.8868 1.9942 1.9942 2.1738 2.1738 2.2512 2.2512 2.3033 2.3033 2.3539 2.3539 2.5073 2.5073 2.5441 2.5441 2.5834 2.5834 2.7447 2.7447 2.8645 2.8645 5.1059 5.1059 5.2004 5.2004 5.3259 5.3259 5.3938 5.3938 5.4937 5.4937 5.5963 5.5963 5.6839 5.6839 5.8599 5.8599 5.9528 5.9528 6.0907 6.0907 k = 0.5000 0.6121 0.6481 ( 17090 PWs) bands (ev): -9.6646 -9.6646 -9.6643 -9.6643 -9.5067 -9.5067 -9.5063 -9.5063 -8.9704 -8.9704 -8.9685 -8.9685 -8.8004 -8.8004 -8.7990 -8.7990 -8.7585 -8.7585 -8.7557 -8.7557 -8.6867 -8.6867 -8.6843 -8.6843 -5.4410 -5.4410 -5.4369 -5.4369 -5.1367 -5.1367 -5.1325 -5.1325 -0.9117 -0.9117 -0.8618 -0.8618 -0.7666 -0.7666 -0.7505 -0.7505 -0.6568 -0.6568 -0.5901 -0.5901 -0.4304 -0.4304 -0.2869 -0.2869 -0.2367 -0.2367 -0.1447 -0.1447 0.1654 0.1654 0.2291 0.2291 0.7020 0.7020 0.8776 0.8776 0.8849 0.8849 1.1481 1.1481 1.3165 1.3165 1.3319 1.3319 1.3996 1.3996 1.4618 1.4618 1.5391 1.5391 1.5912 1.5912 1.6979 1.6979 1.7367 1.7367 1.9539 1.9539 1.9616 1.9616 2.0955 2.0955 2.1258 2.1258 2.1984 2.1984 2.2012 2.2012 2.3496 2.3496 2.3839 2.3839 2.4386 2.4386 2.5071 2.5071 2.6682 2.6682 2.7516 2.7516 4.9819 4.9819 5.0685 5.0685 5.3388 5.3388 5.3986 5.3986 5.4710 5.4710 5.5317 5.5317 5.7547 5.7547 5.7947 5.7947 5.9642 5.9642 6.0253 6.0253 k = 0.5000 0.5781 0.6481 ( 17106 PWs) bands (ev): -9.6633 -9.6633 -9.6630 -9.6630 -9.5160 -9.5160 -9.5155 -9.5155 -8.9665 -8.9665 -8.9648 -8.9648 -8.7985 -8.7985 -8.7976 -8.7976 -8.7539 -8.7539 -8.7513 -8.7513 -8.6853 -8.6853 -8.6830 -8.6830 -5.4425 -5.4425 -5.4383 -5.4383 -5.1388 -5.1388 -5.1343 -5.1343 -0.9152 -0.9152 -0.8657 -0.8657 -0.7607 -0.7607 -0.7470 -0.7470 -0.6560 -0.6560 -0.5891 -0.5891 -0.4398 -0.4398 -0.3007 -0.3007 -0.2396 -0.2396 -0.1520 -0.1520 0.1593 0.1593 0.2267 0.2267 0.7005 0.7005 0.8711 0.8711 0.9046 0.9046 1.1627 1.1627 1.3126 1.3126 1.3300 1.3300 1.4011 1.4011 1.4642 1.4642 1.5352 1.5352 1.5838 1.5838 1.6902 1.6902 1.7436 1.7436 1.9532 1.9532 1.9593 1.9593 2.1061 2.1061 2.1256 2.1256 2.1958 2.1958 2.1981 2.1981 2.3504 2.3504 2.3705 2.3705 2.4385 2.4385 2.5218 2.5218 2.6755 2.6755 2.7626 2.7626 4.9867 4.9867 5.0742 5.0742 5.3465 5.3465 5.4017 5.4017 5.4762 5.4762 5.5377 5.5377 5.7576 5.7576 5.8004 5.8004 5.9717 5.9717 6.0407 6.0407 k = 0.5000 0.5441 0.6481 ( 17116 PWs) bands (ev): -9.6630 -9.6630 -9.6627 -9.6627 -9.5254 -9.5254 -9.5249 -9.5249 -8.9614 -8.9614 -8.9599 -8.9599 -8.7968 -8.7968 -8.7962 -8.7962 -8.7488 -8.7488 -8.7465 -8.7465 -8.6837 -8.6837 -8.6815 -8.6815 -5.4443 -5.4443 -5.4400 -5.4400 -5.1415 -5.1415 -5.1368 -5.1368 -0.9188 -0.9188 -0.8703 -0.8703 -0.7543 -0.7543 -0.7434 -0.7434 -0.6551 -0.6551 -0.5888 -0.5888 -0.4491 -0.4491 -0.3157 -0.3157 -0.2431 -0.2431 -0.1601 -0.1601 0.1531 0.1531 0.2244 0.2244 0.7018 0.7018 0.8638 0.8638 0.9259 0.9259 1.1767 1.1767 1.3052 1.3052 1.3295 1.3295 1.4039 1.4039 1.4655 1.4655 1.5313 1.5313 1.5746 1.5746 1.6853 1.6853 1.7504 1.7504 1.9497 1.9497 1.9582 1.9582 2.1171 2.1171 2.1237 2.1237 2.1937 2.1937 2.1959 2.1959 2.3482 2.3482 2.3592 2.3592 2.4436 2.4436 2.5382 2.5382 2.6828 2.6828 2.7730 2.7730 4.9927 4.9927 5.0803 5.0803 5.3534 5.3534 5.4040 5.4040 5.4828 5.4828 5.5432 5.5432 5.7606 5.7606 5.8040 5.8040 5.9782 5.9782 6.0539 6.0539 k = 0.5000 0.5101 0.6481 ( 17122 PWs) bands (ev): -9.6635 -9.6635 -9.6632 -9.6632 -9.5348 -9.5348 -9.5343 -9.5343 -8.9553 -8.9553 -8.9539 -8.9539 -8.7950 -8.7950 -8.7949 -8.7949 -8.7435 -8.7435 -8.7415 -8.7415 -8.6819 -8.6819 -8.6798 -8.6798 -5.4464 -5.4464 -5.4420 -5.4420 -5.1447 -5.1447 -5.1398 -5.1398 -0.9225 -0.9225 -0.8755 -0.8755 -0.7474 -0.7474 -0.7400 -0.7400 -0.6538 -0.6538 -0.5891 -0.5891 -0.4581 -0.4581 -0.3311 -0.3311 -0.2471 -0.2471 -0.1686 -0.1686 0.1461 0.1461 0.2216 0.2216 0.7066 0.7066 0.8570 0.8570 0.9475 0.9475 1.1883 1.1883 1.2950 1.2950 1.3309 1.3309 1.4074 1.4074 1.4651 1.4651 1.5272 1.5272 1.5645 1.5645 1.6837 1.6837 1.7553 1.7553 1.9433 1.9433 1.9598 1.9598 2.1198 2.1198 2.1273 2.1273 2.1922 2.1922 2.1944 2.1944 2.3456 2.3456 2.3506 2.3506 2.4529 2.4529 2.5559 2.5559 2.6897 2.6897 2.7825 2.7825 4.9998 4.9998 5.0864 5.0864 5.3590 5.3590 5.4048 5.4048 5.4912 5.4912 5.5489 5.5489 5.7634 5.7634 5.8055 5.8055 5.9834 5.9834 6.0639 6.0639 k = 0.5000 0.4761 0.6481 ( 17128 PWs) bands (ev): -9.6648 -9.6648 -9.6645 -9.6645 -9.5441 -9.5441 -9.5436 -9.5436 -8.9483 -8.9483 -8.9472 -8.9472 -8.7937 -8.7937 -8.7934 -8.7934 -8.7380 -8.7380 -8.7363 -8.7363 -8.6798 -8.6798 -8.6779 -8.6779 -5.4488 -5.4488 -5.4443 -5.4443 -5.1483 -5.1483 -5.1432 -5.1432 -0.9263 -0.9263 -0.8814 -0.8814 -0.7404 -0.7404 -0.7367 -0.7367 -0.6520 -0.6520 -0.5899 -0.5899 -0.4663 -0.4663 -0.3463 -0.3463 -0.2517 -0.2517 -0.1772 -0.1772 0.1381 0.1381 0.2177 0.2177 0.7151 0.7151 0.8520 0.8520 0.9684 0.9684 1.1964 1.1964 1.2828 1.2828 1.3339 1.3339 1.4101 1.4101 1.4629 1.4629 1.5233 1.5233 1.5545 1.5545 1.6857 1.6857 1.7567 1.7567 1.9345 1.9345 1.9652 1.9652 2.1143 2.1143 2.1361 2.1361 2.1909 2.1909 2.1928 2.1928 2.3455 2.3455 2.3459 2.3459 2.4650 2.4650 2.5747 2.5747 2.6961 2.6961 2.7908 2.7908 5.0075 5.0075 5.0923 5.0923 5.3630 5.3630 5.4036 5.4036 5.5015 5.5015 5.5554 5.5554 5.7656 5.7656 5.8049 5.8049 5.9873 5.9873 6.0706 6.0706 k = 0.5000 0.4421 0.6481 ( 17118 PWs) bands (ev): -9.6668 -9.6668 -9.6665 -9.6665 -9.5532 -9.5532 -9.5527 -9.5527 -8.9407 -8.9407 -8.9397 -8.9397 -8.7925 -8.7925 -8.7918 -8.7918 -8.7325 -8.7325 -8.7310 -8.7310 -8.6775 -8.6775 -8.6757 -8.6757 -5.4515 -5.4515 -5.4468 -5.4468 -5.1523 -5.1523 -5.1470 -5.1470 -0.9300 -0.9300 -0.8877 -0.8877 -0.7338 -0.7338 -0.7334 -0.7334 -0.6500 -0.6500 -0.5914 -0.5914 -0.4731 -0.4731 -0.3605 -0.3605 -0.2566 -0.2566 -0.1857 -0.1857 0.1286 0.1286 0.2122 0.2122 0.7271 0.7271 0.8495 0.8495 0.9881 0.9881 1.2007 1.2007 1.2692 1.2692 1.3373 1.3373 1.4108 1.4108 1.4591 1.4591 1.5199 1.5199 1.5460 1.5460 1.6911 1.6911 1.7539 1.7539 1.9236 1.9236 1.9740 1.9740 2.1081 2.1081 2.1423 2.1423 2.1891 2.1891 2.1908 2.1908 2.3445 2.3445 2.3511 2.3511 2.4787 2.4787 2.5942 2.5942 2.7019 2.7019 2.7980 2.7980 5.0156 5.0156 5.0977 5.0977 5.3653 5.3653 5.4004 5.4004 5.5135 5.5135 5.5630 5.5630 5.7671 5.7671 5.8024 5.8024 5.9902 5.9902 6.0740 6.0740 k = 0.5000 0.4081 0.6481 ( 17122 PWs) bands (ev): -9.6692 -9.6692 -9.6689 -9.6689 -9.5620 -9.5620 -9.5615 -9.5615 -8.9326 -8.9326 -8.9319 -8.9319 -8.7913 -8.7913 -8.7902 -8.7902 -8.7271 -8.7271 -8.7258 -8.7258 -8.6751 -8.6751 -8.6735 -8.6735 -5.4543 -5.4543 -5.4494 -5.4494 -5.1566 -5.1566 -5.1511 -5.1511 -0.9336 -0.9336 -0.8942 -0.8942 -0.7313 -0.7313 -0.7269 -0.7269 -0.6484 -0.6484 -0.5937 -0.5937 -0.4778 -0.4778 -0.3727 -0.3727 -0.2617 -0.2617 -0.1939 -0.1939 0.1176 0.1176 0.2047 0.2047 0.7424 0.7424 0.8501 0.8501 1.0061 1.0061 1.2020 1.2020 1.2548 1.2548 1.3392 1.3392 1.4079 1.4079 1.4547 1.4547 1.5176 1.5176 1.5407 1.5407 1.6993 1.6993 1.7473 1.7473 1.9110 1.9110 1.9843 1.9843 2.1022 2.1022 2.1434 2.1434 2.1873 2.1873 2.1904 2.1904 2.3475 2.3475 2.3618 2.3618 2.4933 2.4933 2.6139 2.6139 2.7070 2.7070 2.8038 2.8038 5.0237 5.0237 5.1023 5.1023 5.3665 5.3665 5.3954 5.3954 5.5267 5.5267 5.5718 5.5718 5.7675 5.7675 5.7980 5.7980 5.9924 5.9924 6.0750 6.0750 k = 0.5000 0.3740 0.6481 ( 17120 PWs) bands (ev): -9.6721 -9.6721 -9.6717 -9.6717 -9.5705 -9.5705 -9.5699 -9.5699 -8.9244 -8.9244 -8.9239 -8.9239 -8.7901 -8.7901 -8.7887 -8.7887 -8.7217 -8.7217 -8.7207 -8.7207 -8.6725 -8.6725 -8.6712 -8.6712 -5.4573 -5.4573 -5.4522 -5.4522 -5.1609 -5.1609 -5.1554 -5.1554 -0.9368 -0.9368 -0.9006 -0.9006 -0.7294 -0.7294 -0.7213 -0.7213 -0.6476 -0.6476 -0.5969 -0.5969 -0.4798 -0.4798 -0.3820 -0.3820 -0.2667 -0.2667 -0.2017 -0.2017 0.1052 0.1052 0.1949 0.1949 0.7602 0.7602 0.8537 0.8537 1.0223 1.0223 1.2012 1.2012 1.2400 1.2400 1.3377 1.3377 1.4007 1.4007 1.4505 1.4505 1.5171 1.5171 1.5397 1.5397 1.7095 1.7095 1.7380 1.7380 1.8975 1.8975 1.9932 1.9932 2.0972 2.0972 2.1367 2.1367 2.1868 2.1868 2.1948 2.1948 2.3541 2.3541 2.3770 2.3770 2.5084 2.5084 2.6336 2.6336 2.7115 2.7115 2.8083 2.8083 5.0314 5.0314 5.1060 5.1060 5.3671 5.3671 5.3893 5.3893 5.5406 5.5406 5.5817 5.5817 5.7670 5.7670 5.7925 5.7925 5.9944 5.9944 6.0749 6.0749 k = 0.5000 0.3400 0.6481 ( 17126 PWs) bands (ev): -9.6751 -9.6751 -9.6748 -9.6748 -9.5784 -9.5784 -9.5778 -9.5778 -8.9161 -8.9161 -8.9159 -8.9159 -8.7889 -8.7889 -8.7872 -8.7872 -8.7164 -8.7164 -8.7157 -8.7157 -8.6701 -8.6701 -8.6690 -8.6690 -5.4603 -5.4603 -5.4550 -5.4550 -5.1654 -5.1654 -5.1597 -5.1597 -0.9396 -0.9396 -0.9067 -0.9067 -0.7285 -0.7285 -0.7174 -0.7174 -0.6479 -0.6479 -0.6007 -0.6007 -0.4786 -0.4786 -0.3876 -0.3876 -0.2714 -0.2714 -0.2090 -0.2090 0.0915 0.0915 0.1830 0.1830 0.7800 0.7800 0.8602 0.8602 1.0365 1.0365 1.1989 1.1989 1.2253 1.2253 1.3317 1.3317 1.3896 1.3896 1.4470 1.4470 1.5190 1.5190 1.5429 1.5429 1.7212 1.7212 1.7269 1.7269 1.8835 1.8835 1.9982 1.9982 2.0929 2.0929 2.1233 2.1233 2.1902 2.1902 2.2041 2.2041 2.3636 2.3636 2.3949 2.3949 2.5236 2.5236 2.6527 2.6527 2.7154 2.7154 2.8113 2.8113 5.0384 5.0384 5.1086 5.1086 5.3675 5.3675 5.3828 5.3828 5.5546 5.5546 5.5920 5.5920 5.7657 5.7657 5.7863 5.7863 5.9963 5.9963 6.0746 6.0746 k = 0.5000 0.3060 0.6481 ( 17142 PWs) bands (ev): -9.6783 -9.6783 -9.6779 -9.6779 -9.5859 -9.5859 -9.5852 -9.5852 -8.9083 -8.9083 -8.9082 -8.9082 -8.7878 -8.7878 -8.7856 -8.7856 -8.7113 -8.7113 -8.7107 -8.7107 -8.6677 -8.6677 -8.6669 -8.6669 -5.4632 -5.4632 -5.4578 -5.4578 -5.1698 -5.1698 -5.1641 -5.1641 -0.9417 -0.9417 -0.9122 -0.9122 -0.7291 -0.7291 -0.7159 -0.7159 -0.6491 -0.6491 -0.6046 -0.6046 -0.4741 -0.4741 -0.3894 -0.3894 -0.2757 -0.2757 -0.2159 -0.2159 0.0770 0.0770 0.1692 0.1692 0.8008 0.8008 0.8691 0.8691 1.0483 1.0483 1.1959 1.1959 1.2111 1.2111 1.3216 1.3216 1.3759 1.3759 1.4438 1.4438 1.5237 1.5237 1.5491 1.5491 1.7151 1.7151 1.7336 1.7336 1.8698 1.8698 1.9984 1.9984 2.0873 2.0873 2.1058 2.1058 2.1999 2.1999 2.2162 2.2162 2.3748 2.3748 2.4139 2.4139 2.5387 2.5387 2.6709 2.6709 2.7188 2.7188 2.8128 2.8128 5.0445 5.0445 5.1101 5.1101 5.3682 5.3682 5.3768 5.3768 5.5681 5.5681 5.6021 5.6021 5.7640 5.7640 5.7801 5.7801 5.9980 5.9980 6.0747 6.0747 k = 0.5000 0.2720 0.6481 ( 17148 PWs) bands (ev): -9.6815 -9.6815 -9.6811 -9.6811 -9.5927 -9.5927 -9.5920 -9.5920 -8.9010 -8.9010 -8.9007 -8.9007 -8.7866 -8.7866 -8.7841 -8.7841 -8.7063 -8.7063 -8.7059 -8.7059 -8.6657 -8.6657 -8.6651 -8.6651 -5.4661 -5.4661 -5.4606 -5.4606 -5.1741 -5.1741 -5.1682 -5.1682 -0.9430 -0.9430 -0.9168 -0.9168 -0.7317 -0.7317 -0.7177 -0.7177 -0.6503 -0.6503 -0.6073 -0.6073 -0.4670 -0.4670 -0.3874 -0.3874 -0.2794 -0.2794 -0.2224 -0.2224 0.0620 0.0620 0.1539 0.1539 0.8220 0.8220 0.8799 0.8799 1.0572 1.0572 1.1923 1.1923 1.1985 1.1985 1.3084 1.3084 1.3615 1.3615 1.4403 1.4403 1.5311 1.5311 1.5565 1.5565 1.7036 1.7036 1.7463 1.7463 1.8571 1.8571 1.9949 1.9949 2.0792 2.0792 2.0860 2.0860 2.2161 2.2161 2.2294 2.2294 2.3870 2.3870 2.4327 2.4327 2.5533 2.5533 2.6880 2.6880 2.7218 2.7218 2.8129 2.8129 5.0495 5.0495 5.1109 5.1109 5.3693 5.3693 5.3718 5.3718 5.5804 5.5804 5.6111 5.6111 5.7629 5.7629 5.7746 5.7746 5.9994 5.9994 6.0756 6.0756 k = 0.5000 0.2380 0.6481 ( 17144 PWs) bands (ev): -9.6845 -9.6845 -9.6841 -9.6841 -9.5989 -9.5989 -9.5982 -9.5982 -8.8944 -8.8944 -8.8938 -8.8938 -8.7854 -8.7854 -8.7827 -8.7827 -8.7014 -8.7014 -8.7012 -8.7012 -8.6639 -8.6639 -8.6637 -8.6637 -5.4689 -5.4689 -5.4631 -5.4631 -5.1781 -5.1781 -5.1722 -5.1722 -0.9433 -0.9433 -0.9203 -0.9203 -0.7367 -0.7367 -0.7233 -0.7233 -0.6509 -0.6509 -0.6081 -0.6081 -0.4579 -0.4579 -0.3824 -0.3824 -0.2823 -0.2823 -0.2286 -0.2286 0.0469 0.0469 0.1378 0.1378 0.8431 0.8431 0.8920 0.8920 1.0624 1.0624 1.1882 1.1882 1.1886 1.1886 1.2936 1.2936 1.3479 1.3479 1.4362 1.4362 1.5406 1.5406 1.5633 1.5633 1.6936 1.6936 1.7581 1.7581 1.8464 1.8464 1.9890 1.9890 2.0649 2.0649 2.0687 2.0687 2.2370 2.2370 2.2430 2.2430 2.3994 2.3994 2.4501 2.4501 2.5675 2.5675 2.7035 2.7035 2.7243 2.7243 2.8116 2.8116 5.0535 5.0535 5.1110 5.1110 5.3683 5.3683 5.3708 5.3708 5.5911 5.5911 5.6182 5.6182 5.7629 5.7629 5.7706 5.7706 6.0003 6.0003 6.0771 6.0771 k = 0.5000 0.2040 0.6481 ( 17132 PWs) bands (ev): -9.6873 -9.6873 -9.6870 -9.6870 -9.6043 -9.6043 -9.6036 -9.6036 -8.8886 -8.8886 -8.8877 -8.8877 -8.7842 -8.7842 -8.7813 -8.7813 -8.6966 -8.6966 -8.6966 -8.6966 -8.6627 -8.6627 -8.6627 -8.6627 -5.4714 -5.4714 -5.4655 -5.4655 -5.1818 -5.1818 -5.1759 -5.1759 -0.9428 -0.9428 -0.9228 -0.9228 -0.7438 -0.7438 -0.7321 -0.7321 -0.6503 -0.6503 -0.6067 -0.6067 -0.4478 -0.4478 -0.3752 -0.3752 -0.2845 -0.2845 -0.2345 -0.2345 0.0322 0.0322 0.1214 0.1214 0.8633 0.8633 0.9046 0.9046 1.0628 1.0628 1.1812 1.1812 1.1847 1.1847 1.2782 1.2782 1.3364 1.3364 1.4319 1.4319 1.5514 1.5514 1.5674 1.5674 1.6868 1.6868 1.7678 1.7678 1.8396 1.8396 1.9820 1.9820 2.0430 2.0430 2.0569 2.0569 2.2562 2.2562 2.2601 2.2601 2.4113 2.4113 2.4654 2.4654 2.5812 2.5812 2.7174 2.7174 2.7262 2.7262 2.8090 2.8090 5.0565 5.0565 5.1110 5.1110 5.3664 5.3664 5.3726 5.3726 5.5995 5.5995 5.6225 5.6225 5.7648 5.7648 5.7683 5.7683 6.0005 6.0005 6.0794 6.0794 k = 0.5000 0.1700 0.6481 ( 17130 PWs) bands (ev): -9.6899 -9.6899 -9.6895 -9.6895 -9.6090 -9.6090 -9.6083 -9.6083 -8.8836 -8.8836 -8.8824 -8.8824 -8.7831 -8.7831 -8.7800 -8.7800 -8.6921 -8.6921 -8.6919 -8.6919 -8.6622 -8.6622 -8.6619 -8.6619 -5.4736 -5.4736 -5.4676 -5.4676 -5.1851 -5.1851 -5.1791 -5.1791 -0.9414 -0.9414 -0.9242 -0.9242 -0.7523 -0.7523 -0.7430 -0.7430 -0.6487 -0.6487 -0.6037 -0.6037 -0.4377 -0.4377 -0.3667 -0.3667 -0.2859 -0.2859 -0.2400 -0.2400 0.0184 0.0184 0.1055 0.1055 0.8825 0.8825 0.9170 0.9170 1.0583 1.0583 1.1778 1.1778 1.1810 1.1810 1.2634 1.2634 1.3280 1.3280 1.4274 1.4274 1.5626 1.5626 1.5675 1.5675 1.6841 1.6841 1.7730 1.7730 1.8389 1.8389 1.9746 1.9746 2.0209 2.0209 2.0450 2.0450 2.2684 2.2684 2.2835 2.2835 2.4221 2.4221 2.4782 2.4782 2.5940 2.5940 2.7276 2.7276 2.7296 2.7296 2.8052 2.8052 5.0586 5.0586 5.1109 5.1109 5.3660 5.3660 5.3744 5.3744 5.6056 5.6056 5.6240 5.6240 5.7681 5.7681 5.7687 5.7687 6.0000 6.0000 6.0821 6.0821 k = 0.5000 0.1360 0.6481 ( 17142 PWs) bands (ev): -9.6920 -9.6920 -9.6916 -9.6916 -9.6129 -9.6129 -9.6121 -9.6121 -8.8795 -8.8795 -8.8781 -8.8781 -8.7822 -8.7822 -8.7788 -8.7788 -8.6879 -8.6879 -8.6874 -8.6874 -8.6623 -8.6623 -8.6617 -8.6617 -5.4755 -5.4755 -5.4694 -5.4694 -5.1879 -5.1879 -5.1819 -5.1819 -0.9393 -0.9393 -0.9247 -0.9247 -0.7612 -0.7612 -0.7545 -0.7545 -0.6465 -0.6465 -0.5999 -0.5999 -0.4284 -0.4284 -0.3578 -0.3578 -0.2863 -0.2863 -0.2451 -0.2451 0.0060 0.0060 0.0909 0.0909 0.9003 0.9003 0.9286 0.9286 1.0498 1.0498 1.1769 1.1769 1.1774 1.1774 1.2501 1.2501 1.3231 1.3231 1.4233 1.4233 1.5635 1.5635 1.5735 1.5735 1.6856 1.6856 1.7729 1.7729 1.8453 1.8453 1.9673 1.9673 1.9988 1.9988 2.0340 2.0340 2.2791 2.2791 2.3054 2.3054 2.4315 2.4315 2.4882 2.4882 2.6059 2.6059 2.7283 2.7283 2.7401 2.7401 2.8005 2.8005 5.0601 5.0601 5.1109 5.1109 5.3668 5.3668 5.3762 5.3762 5.6093 5.6093 5.6232 5.6232 5.7695 5.7695 5.7741 5.7741 5.9988 5.9988 6.0853 6.0853 k = 0.5000 0.1020 0.6481 ( 17154 PWs) bands (ev): -9.6938 -9.6938 -9.6934 -9.6934 -9.6159 -9.6159 -9.6152 -9.6152 -8.8763 -8.8763 -8.8748 -8.8748 -8.7813 -8.7813 -8.7779 -8.7779 -8.6841 -8.6841 -8.6833 -8.6833 -8.6630 -8.6630 -8.6620 -8.6620 -5.4770 -5.4770 -5.4708 -5.4708 -5.1902 -5.1902 -5.1841 -5.1841 -0.9368 -0.9368 -0.9245 -0.9245 -0.7695 -0.7695 -0.7653 -0.7653 -0.6442 -0.6442 -0.5960 -0.5960 -0.4205 -0.4205 -0.3495 -0.3495 -0.2862 -0.2862 -0.2495 -0.2495 -0.0043 -0.0043 0.0784 0.0784 0.9165 0.9165 0.9386 0.9386 1.0389 1.0389 1.1742 1.1742 1.1771 1.1771 1.2389 1.2389 1.3213 1.3213 1.4197 1.4197 1.5570 1.5570 1.5832 1.5832 1.6896 1.6896 1.7695 1.7695 1.8572 1.8572 1.9607 1.9607 1.9771 1.9771 2.0248 2.0248 2.2879 2.2879 2.3242 2.3242 2.4390 2.4390 2.4955 2.4955 2.6162 2.6162 2.7284 2.7284 2.7489 2.7489 2.7953 2.7953 5.0611 5.0611 5.1111 5.1111 5.3683 5.3683 5.3778 5.3778 5.6113 5.6113 5.6209 5.6209 5.7720 5.7720 5.7799 5.7799 5.9972 5.9972 6.0887 6.0887 k = 0.5000 0.0680 0.6481 ( 17142 PWs) bands (ev): -9.6950 -9.6950 -9.6947 -9.6947 -9.6181 -9.6181 -9.6174 -9.6174 -8.8740 -8.8740 -8.8724 -8.8724 -8.7807 -8.7807 -8.7771 -8.7771 -8.6808 -8.6808 -8.6796 -8.6796 -8.6641 -8.6641 -8.6626 -8.6626 -5.4782 -5.4782 -5.4719 -5.4719 -5.1918 -5.1918 -5.1858 -5.1858 -0.9344 -0.9344 -0.9240 -0.9240 -0.7762 -0.7762 -0.7742 -0.7742 -0.6423 -0.6423 -0.5928 -0.5928 -0.4147 -0.4147 -0.3427 -0.3427 -0.2856 -0.2856 -0.2531 -0.2531 -0.0122 -0.0122 0.0688 0.0688 0.9304 0.9304 0.9465 0.9465 1.0278 1.0278 1.1715 1.1715 1.1776 1.1776 1.2306 1.2306 1.3216 1.3216 1.4170 1.4170 1.5502 1.5502 1.5910 1.5910 1.6943 1.6943 1.7654 1.7654 1.8721 1.8721 1.9552 1.9552 1.9563 1.9563 2.0179 2.0179 2.2945 2.2945 2.3388 2.3388 2.4445 2.4445 2.5003 2.5003 2.6245 2.6245 2.7281 2.7281 2.7561 2.7561 2.7899 2.7899 5.0617 5.0617 5.1113 5.1113 5.3699 5.3699 5.3789 5.3789 5.6121 5.6121 5.6182 5.6182 5.7747 5.7747 5.7851 5.7851 5.9956 5.9956 6.0919 6.0919 k = 0.5000 0.0340 0.6481 ( 17138 PWs) bands (ev): -9.6958 -9.6958 -9.6954 -9.6954 -9.6194 -9.6194 -9.6187 -9.6187 -8.8727 -8.8727 -8.8709 -8.8709 -8.7803 -8.7803 -8.7767 -8.7767 -8.6785 -8.6785 -8.6768 -8.6768 -8.6653 -8.6653 -8.6633 -8.6633 -5.4788 -5.4788 -5.4725 -5.4725 -5.1928 -5.1928 -5.1868 -5.1868 -0.9327 -0.9327 -0.9235 -0.9235 -0.7806 -0.7806 -0.7800 -0.7800 -0.6410 -0.6410 -0.5906 -0.5906 -0.4112 -0.4112 -0.3381 -0.3381 -0.2850 -0.2850 -0.2555 -0.2555 -0.0171 -0.0171 0.0627 0.0627 0.9406 0.9406 0.9514 0.9514 1.0188 1.0188 1.1697 1.1697 1.1779 1.1779 1.2255 1.2255 1.3227 1.3227 1.4153 1.4153 1.5451 1.5451 1.5960 1.5960 1.6979 1.6979 1.7624 1.7624 1.8876 1.8876 1.9375 1.9375 1.9515 1.9515 2.0137 2.0137 2.2986 2.2986 2.3481 2.3481 2.4478 2.4478 2.5031 2.5031 2.6298 2.6298 2.7277 2.7277 2.7615 2.7615 2.7854 2.7854 5.0621 5.0621 5.1115 5.1115 5.3712 5.3712 5.3797 5.3797 5.6124 5.6124 5.6162 5.6162 5.7767 5.7767 5.7887 5.7887 5.9944 5.9944 6.0944 6.0944 k = 0.5000-0.0000 0.6481 ( 17144 PWs) bands (ev): -9.6961 -9.6961 -9.6957 -9.6957 -9.6199 -9.6199 -9.6191 -9.6191 -8.8722 -8.8722 -8.8704 -8.8704 -8.7802 -8.7802 -8.7766 -8.7766 -8.6776 -8.6776 -8.6757 -8.6757 -8.6659 -8.6659 -8.6637 -8.6637 -5.4791 -5.4791 -5.4727 -5.4727 -5.1931 -5.1931 -5.1871 -5.1871 -0.9321 -0.9321 -0.9233 -0.9233 -0.7821 -0.7821 -0.7820 -0.7820 -0.6405 -0.6405 -0.5899 -0.5899 -0.4100 -0.4100 -0.3366 -0.3366 -0.2848 -0.2848 -0.2563 -0.2563 -0.0188 -0.0188 0.0606 0.0606 0.9446 0.9446 0.9532 0.9532 1.0151 1.0151 1.1690 1.1690 1.1780 1.1780 1.2237 1.2237 1.3233 1.3233 1.4147 1.4147 1.5432 1.5432 1.5978 1.5978 1.6992 1.6992 1.7613 1.7613 1.8968 1.8968 1.9272 1.9272 1.9502 1.9502 2.0123 2.0123 2.2999 2.2999 2.3513 2.3513 2.4489 2.4489 2.5040 2.5040 2.6317 2.6317 2.7275 2.7275 2.7638 2.7638 2.7834 2.7834 5.0622 5.0622 5.1116 5.1116 5.3716 5.3716 5.3799 5.3799 5.6124 5.6124 5.6154 5.6154 5.7774 5.7774 5.7900 5.7900 5.9939 5.9939 6.0954 6.0954 k = 0.5000-0.0000 0.6481 ( 17144 PWs) bands (ev): -9.6961 -9.6961 -9.6957 -9.6957 -9.6199 -9.6199 -9.6191 -9.6191 -8.8722 -8.8722 -8.8704 -8.8704 -8.7802 -8.7802 -8.7766 -8.7766 -8.6776 -8.6776 -8.6757 -8.6757 -8.6659 -8.6659 -8.6637 -8.6637 -5.4791 -5.4791 -5.4727 -5.4727 -5.1931 -5.1931 -5.1871 -5.1871 -0.9321 -0.9321 -0.9233 -0.9233 -0.7821 -0.7821 -0.7820 -0.7820 -0.6405 -0.6405 -0.5899 -0.5899 -0.4100 -0.4100 -0.3366 -0.3366 -0.2848 -0.2848 -0.2563 -0.2563 -0.0188 -0.0188 0.0606 0.0606 0.9446 0.9446 0.9532 0.9532 1.0151 1.0151 1.1690 1.1690 1.1780 1.1780 1.2237 1.2237 1.3233 1.3233 1.4147 1.4147 1.5432 1.5432 1.5978 1.5978 1.6992 1.6992 1.7613 1.7613 1.8968 1.8968 1.9272 1.9272 1.9502 1.9502 2.0123 2.0123 2.2999 2.2999 2.3513 2.3513 2.4489 2.4489 2.5040 2.5040 2.6317 2.6317 2.7275 2.7275 2.7638 2.7638 2.7834 2.7834 5.0622 5.0622 5.1116 5.1116 5.3716 5.3716 5.3799 5.3799 5.6124 5.6124 5.6154 5.6154 5.7774 5.7774 5.7900 5.7900 5.9939 5.9939 6.0954 6.0954 k = 0.5000-0.0000 0.6140 ( 17128 PWs) bands (ev): -9.6990 -9.6990 -9.6986 -9.6986 -9.6167 -9.6167 -9.6160 -9.6160 -8.8721 -8.8721 -8.8704 -8.8704 -8.7803 -8.7803 -8.7767 -8.7767 -8.6777 -8.6777 -8.6759 -8.6759 -8.6658 -8.6658 -8.6636 -8.6636 -5.4792 -5.4792 -5.4728 -5.4728 -5.1934 -5.1934 -5.1873 -5.1873 -0.9323 -0.9323 -0.9233 -0.9233 -0.7858 -0.7858 -0.7845 -0.7845 -0.6376 -0.6376 -0.5884 -0.5884 -0.4111 -0.4111 -0.3368 -0.3368 -0.2830 -0.2830 -0.2554 -0.2554 -0.0160 -0.0160 0.0636 0.0636 0.9361 0.9361 0.9505 0.9505 1.0237 1.0237 1.1648 1.1648 1.1778 1.1778 1.2284 1.2284 1.3236 1.3236 1.4149 1.4149 1.5437 1.5437 1.5965 1.5965 1.6998 1.6998 1.7636 1.7636 1.8956 1.8956 1.9298 1.9298 1.9454 1.9454 2.0171 2.0171 2.2994 2.2994 2.3495 2.3495 2.4496 2.4496 2.5032 2.5032 2.6301 2.6301 2.7275 2.7275 2.7578 2.7578 2.7876 2.7876 5.0624 5.0624 5.1128 5.1128 5.3723 5.3723 5.3792 5.3792 5.6113 5.6113 5.6151 5.6151 5.7764 5.7764 5.7898 5.7898 5.9940 5.9940 6.0904 6.0904 k = 0.5000-0.0000 0.5799 ( 17132 PWs) bands (ev): -9.7065 -9.7065 -9.7062 -9.7062 -9.6083 -9.6083 -9.6077 -9.6077 -8.8719 -8.8719 -8.8701 -8.8701 -8.7808 -8.7808 -8.7771 -8.7771 -8.6781 -8.6781 -8.6764 -8.6764 -8.6657 -8.6657 -8.6636 -8.6636 -5.4795 -5.4795 -5.4732 -5.4732 -5.1940 -5.1940 -5.1881 -5.1881 -0.9332 -0.9332 -0.9234 -0.9234 -0.7956 -0.7956 -0.7913 -0.7913 -0.6298 -0.6298 -0.5844 -0.5844 -0.4142 -0.4142 -0.3376 -0.3376 -0.2779 -0.2779 -0.2524 -0.2524 -0.0078 -0.0078 0.0724 0.0724 0.9175 0.9175 0.9430 0.9430 1.0425 1.0425 1.1547 1.1547 1.1774 1.1774 1.2393 1.2393 1.3245 1.3245 1.4156 1.4156 1.5448 1.5448 1.5932 1.5932 1.7014 1.7014 1.7699 1.7699 1.8930 1.8930 1.9341 1.9341 1.9367 1.9367 2.0285 2.0285 2.2978 2.2978 2.3445 2.3445 2.4515 2.4515 2.5006 2.5006 2.6256 2.6256 2.7275 2.7275 2.7459 2.7459 2.7942 2.7942 5.0630 5.0630 5.1162 5.1162 5.3744 5.3744 5.3772 5.3772 5.6078 5.6078 5.6141 5.6141 5.7736 5.7736 5.7894 5.7894 5.9942 5.9942 6.0777 6.0777 k = 0.5000-0.0000 0.5458 ( 17122 PWs) bands (ev): -9.7166 -9.7166 -9.7164 -9.7164 -9.5968 -9.5968 -9.5963 -9.5963 -8.8714 -8.8714 -8.8697 -8.8697 -8.7815 -8.7815 -8.7779 -8.7779 -8.6787 -8.6787 -8.6772 -8.6772 -8.6655 -8.6655 -8.6636 -8.6636 -5.4800 -5.4800 -5.4738 -5.4738 -5.1952 -5.1952 -5.1893 -5.1893 -0.9351 -0.9351 -0.9242 -0.9242 -0.8086 -0.8086 -0.8007 -0.8007 -0.6196 -0.6196 -0.5793 -0.5793 -0.4188 -0.4188 -0.3394 -0.3394 -0.2697 -0.2697 -0.2467 -0.2467 0.0054 0.0054 0.0868 0.0868 0.8961 0.8961 0.9315 0.9315 1.0639 1.0639 1.1422 1.1422 1.1770 1.1770 1.2525 1.2525 1.3264 1.3264 1.4168 1.4168 1.5464 1.5464 1.5888 1.5888 1.7038 1.7038 1.7783 1.7783 1.8902 1.8902 1.9206 1.9206 1.9470 1.9470 2.0420 2.0420 2.2953 2.2953 2.3367 2.3367 2.4543 2.4543 2.4964 2.4964 2.6188 2.6188 2.7273 2.7273 2.7320 2.7320 2.7996 2.7996 5.0640 5.0640 5.1215 5.1215 5.3737 5.3737 5.3774 5.3774 5.6023 5.6023 5.6125 5.6125 5.7691 5.7691 5.7885 5.7885 5.9948 5.9948 6.0611 6.0611 k = 0.5000-0.0000 0.5117 ( 17118 PWs) bands (ev): -9.7279 -9.7279 -9.7278 -9.7278 -9.5838 -9.5838 -9.5832 -9.5832 -8.8708 -8.8708 -8.8690 -8.8690 -8.7825 -8.7825 -8.7789 -8.7789 -8.6794 -8.6794 -8.6781 -8.6781 -8.6653 -8.6653 -8.6637 -8.6637 -5.4807 -5.4807 -5.4747 -5.4747 -5.1967 -5.1967 -5.1910 -5.1910 -0.9388 -0.9388 -0.9266 -0.9266 -0.8220 -0.8220 -0.8104 -0.8104 -0.6090 -0.6090 -0.5744 -0.5744 -0.4241 -0.4241 -0.3426 -0.3426 -0.2590 -0.2590 -0.2376 -0.2376 0.0231 0.0231 0.1061 0.1061 0.8743 0.8743 0.9169 0.9169 1.0845 1.0845 1.1287 1.1287 1.1773 1.1773 1.2659 1.2659 1.3297 1.3297 1.4188 1.4188 1.5482 1.5482 1.5841 1.5841 1.7070 1.7070 1.7866 1.7866 1.8883 1.8883 1.9068 1.9068 1.9600 1.9600 2.0555 2.0555 2.2917 2.2917 2.3266 2.3266 2.4574 2.4574 2.4908 2.4908 2.6103 2.6103 2.7175 2.7175 2.7270 2.7270 2.8033 2.8033 5.0652 5.0652 5.1284 5.1284 5.3686 5.3686 5.3807 5.3807 5.5949 5.5949 5.6101 5.6101 5.7630 5.7630 5.7869 5.7869 5.9960 5.9960 6.0434 6.0434 k = 0.5000-0.0000 0.4776 ( 17120 PWs) bands (ev): -9.7396 -9.7396 -9.7395 -9.7395 -9.5699 -9.5699 -9.5694 -9.5694 -8.8700 -8.8700 -8.8682 -8.8682 -8.7838 -8.7838 -8.7802 -8.7802 -8.6803 -8.6803 -8.6792 -8.6792 -8.6651 -8.6651 -8.6637 -8.6637 -5.4816 -5.4816 -5.4757 -5.4757 -5.1985 -5.1985 -5.1930 -5.1930 -0.9451 -0.9451 -0.9319 -0.9319 -0.8329 -0.8329 -0.8182 -0.8182 -0.5995 -0.5995 -0.5709 -0.5709 -0.4294 -0.4294 -0.3471 -0.3471 -0.2460 -0.2460 -0.2253 -0.2253 0.0447 0.0447 0.1296 0.1296 0.8532 0.8532 0.9006 0.9006 1.1021 1.1021 1.1148 1.1148 1.1793 1.1793 1.2781 1.2781 1.3349 1.3349 1.4217 1.4217 1.5496 1.5496 1.5798 1.5798 1.7104 1.7104 1.7926 1.7926 1.8880 1.8880 1.8936 1.8936 1.9751 1.9751 2.0678 2.0678 2.2873 2.2873 2.3149 2.3149 2.4606 2.4606 2.4840 2.4840 2.6008 2.6008 2.7032 2.7032 2.7265 2.7265 2.8053 2.8053 5.0668 5.0668 5.1362 5.1362 5.3618 5.3618 5.3835 5.3835 5.5860 5.5860 5.6070 5.6070 5.7560 5.7560 5.7842 5.7842 5.9978 5.9978 6.0266 6.0266 k = 0.5000-0.0000 0.4435 ( 17122 PWs) bands (ev): -9.7511 -9.7511 -9.7511 -9.7511 -9.5558 -9.5558 -9.5554 -9.5554 -8.8690 -8.8690 -8.8672 -8.8672 -8.7853 -8.7853 -8.7819 -8.7819 -8.6813 -8.6813 -8.6804 -8.6804 -8.6651 -8.6651 -8.6639 -8.6639 -5.4826 -5.4826 -5.4770 -5.4770 -5.2007 -5.2007 -5.1954 -5.1954 -0.9544 -0.9544 -0.9410 -0.9410 -0.8394 -0.8394 -0.8228 -0.8228 -0.5920 -0.5920 -0.5694 -0.5694 -0.4342 -0.4342 -0.3526 -0.3526 -0.2312 -0.2312 -0.2101 -0.2101 0.0696 0.0696 0.1564 0.1564 0.8334 0.8334 0.8838 0.8838 1.1006 1.1006 1.1145 1.1145 1.1845 1.1845 1.2880 1.2880 1.3427 1.3427 1.4258 1.4258 1.5502 1.5502 1.5760 1.5760 1.7139 1.7139 1.7950 1.7950 1.8815 1.8815 1.8896 1.8896 1.9917 1.9917 2.0779 2.0779 2.2823 2.2823 2.3021 2.3021 2.4638 2.4638 2.4768 2.4768 2.5909 2.5909 2.6895 2.6895 2.7261 2.7261 2.8058 2.8058 5.0684 5.0684 5.1442 5.1442 5.3533 5.3533 5.3850 5.3850 5.5760 5.5760 5.6030 5.6030 5.7484 5.7484 5.7803 5.7803 5.9996 5.9996 6.0125 6.0125 k = 0.5000-0.0000 0.4094 ( 17128 PWs) bands (ev): -9.7623 -9.7623 -9.7623 -9.7623 -9.5418 -9.5418 -9.5413 -9.5413 -8.8678 -8.8678 -8.8660 -8.8660 -8.7872 -8.7872 -8.7838 -8.7838 -8.6823 -8.6823 -8.6815 -8.6815 -8.6651 -8.6651 -8.6642 -8.6642 -5.4837 -5.4837 -5.4783 -5.4783 -5.2031 -5.2031 -5.1981 -5.1981 -0.9667 -0.9667 -0.9540 -0.9540 -0.8410 -0.8410 -0.8236 -0.8236 -0.5870 -0.5870 -0.5700 -0.5700 -0.4383 -0.4383 -0.3588 -0.3588 -0.2150 -0.2150 -0.1929 -0.1929 0.0972 0.0972 0.1857 0.1857 0.8153 0.8153 0.8675 0.8675 1.0867 1.0867 1.1204 1.1204 1.1935 1.1935 1.2950 1.2950 1.3532 1.3532 1.4313 1.4313 1.5495 1.5495 1.5727 1.5727 1.7170 1.7170 1.7934 1.7934 1.8707 1.8707 1.8930 1.8930 2.0085 2.0085 2.0853 2.0853 2.2768 2.2768 2.2891 2.2891 2.4667 2.4667 2.4698 2.4698 2.5809 2.5809 2.6769 2.6769 2.7261 2.7261 2.8053 2.8053 5.0701 5.0701 5.1513 5.1513 5.3436 5.3436 5.3843 5.3843 5.5653 5.5653 5.5980 5.5980 5.7410 5.7410 5.7752 5.7752 6.0006 6.0006 6.0023 6.0023 k = 0.5000-0.0000 0.3752 ( 17128 PWs) bands (ev): -9.7730 -9.7730 -9.7730 -9.7730 -9.5280 -9.5280 -9.5276 -9.5276 -8.8663 -8.8663 -8.8646 -8.8646 -8.7894 -8.7894 -8.7860 -8.7860 -8.6833 -8.6833 -8.6827 -8.6827 -8.6653 -8.6653 -8.6645 -8.6645 -5.4848 -5.4848 -5.4798 -5.4798 -5.2056 -5.2056 -5.2010 -5.2010 -0.9810 -0.9810 -0.9697 -0.9697 -0.8385 -0.8385 -0.8209 -0.8209 -0.5844 -0.5844 -0.5727 -0.5727 -0.4413 -0.4413 -0.3654 -0.3654 -0.1978 -0.1978 -0.1746 -0.1746 0.1271 0.1271 0.2164 0.2164 0.7994 0.7994 0.8527 0.8527 1.0732 1.0732 1.1206 1.1206 1.2057 1.2057 1.2986 1.2986 1.3665 1.3665 1.4383 1.4383 1.5473 1.5473 1.5696 1.5696 1.7193 1.7193 1.7884 1.7884 1.8612 1.8612 1.8975 1.8975 2.0239 2.0239 2.0893 2.0893 2.2714 2.2714 2.2766 2.2766 2.4640 2.4640 2.4696 2.4696 2.5712 2.5712 2.6656 2.6656 2.7267 2.7267 2.8040 2.8040 5.0717 5.0717 5.1565 5.1565 5.3333 5.3333 5.3809 5.3809 5.5544 5.5544 5.5919 5.5919 5.7341 5.7341 5.7693 5.7693 5.9965 5.9965 5.9999 5.9999 k = 0.5000-0.0000 0.3411 ( 17126 PWs) bands (ev): -9.7830 -9.7830 -9.7830 -9.7830 -9.5148 -9.5148 -9.5144 -9.5144 -8.8647 -8.8647 -8.8630 -8.8630 -8.7918 -8.7918 -8.7886 -8.7886 -8.6843 -8.6843 -8.6838 -8.6838 -8.6655 -8.6655 -8.6649 -8.6649 -5.4861 -5.4861 -5.4813 -5.4813 -5.2083 -5.2083 -5.2040 -5.2040 -0.9964 -0.9964 -0.9866 -0.9866 -0.8329 -0.8329 -0.8153 -0.8153 -0.5840 -0.5840 -0.5770 -0.5770 -0.4435 -0.4435 -0.3723 -0.3723 -0.1800 -0.1800 -0.1561 -0.1561 0.1586 0.1586 0.2475 0.2475 0.7862 0.7862 0.8404 0.8404 1.0604 1.0604 1.1165 1.1165 1.2194 1.2194 1.2986 1.2986 1.3821 1.3821 1.4465 1.4465 1.5432 1.5432 1.5663 1.5663 1.7206 1.7206 1.7810 1.7810 1.8533 1.8533 1.9023 1.9023 2.0360 2.0360 2.0897 2.0897 2.2656 2.2656 2.2665 2.2665 2.4603 2.4603 2.4725 2.4725 2.5621 2.5621 2.6556 2.6556 2.7282 2.7282 2.8023 2.8023 5.0729 5.0729 5.1583 5.1583 5.3237 5.3237 5.3748 5.3748 5.5436 5.5436 5.5844 5.5844 5.7282 5.7282 5.7631 5.7631 5.9948 5.9948 5.9970 5.9970 k = 0.5000-0.0000 0.3070 ( 17130 PWs) bands (ev): -9.7923 -9.7923 -9.7922 -9.7922 -9.5022 -9.5022 -9.5018 -9.5018 -8.8628 -8.8628 -8.8611 -8.8611 -8.7945 -8.7945 -8.7914 -8.7914 -8.6853 -8.6853 -8.6849 -8.6849 -8.6658 -8.6658 -8.6653 -8.6653 -5.4873 -5.4873 -5.4829 -5.4829 -5.2110 -5.2110 -5.2070 -5.2070 -1.0120 -1.0120 -1.0035 -1.0035 -0.8254 -0.8254 -0.8078 -0.8078 -0.5855 -0.5855 -0.5828 -0.5828 -0.4449 -0.4449 -0.3794 -0.3794 -0.1622 -0.1622 -0.1380 -0.1380 0.1911 0.1911 0.2781 0.2781 0.7759 0.7759 0.8314 0.8314 1.0485 1.0485 1.1095 1.1095 1.2337 1.2337 1.2951 1.2951 1.3989 1.3989 1.4556 1.4556 1.5377 1.5377 1.5627 1.5627 1.7203 1.7203 1.7721 1.7721 1.8469 1.8469 1.9068 1.9068 2.0435 2.0435 2.0862 2.0862 2.2567 2.2567 2.2628 2.2628 2.4595 2.4595 2.4754 2.4754 2.5539 2.5539 2.6467 2.6467 2.7305 2.7305 2.8005 2.8005 5.0735 5.0735 5.1556 5.1556 5.3164 5.3164 5.3663 5.3663 5.5330 5.5330 5.5757 5.5757 5.7234 5.7234 5.7573 5.7573 5.9919 5.9919 5.9960 5.9960 k = 0.5000-0.0000 0.2729 ( 17132 PWs) bands (ev): -9.8007 -9.8007 -9.8007 -9.8007 -9.4905 -9.4905 -9.4901 -9.4901 -8.8607 -8.8607 -8.8590 -8.8590 -8.7975 -8.7975 -8.7944 -8.7944 -8.6862 -8.6862 -8.6859 -8.6859 -8.6662 -8.6662 -8.6658 -8.6658 -5.4884 -5.4884 -5.4845 -5.4845 -5.2136 -5.2136 -5.2100 -5.2100 -1.0271 -1.0271 -1.0199 -1.0199 -0.8164 -0.8164 -0.7988 -0.7988 -0.5895 -0.5895 -0.5884 -0.5884 -0.4458 -0.4458 -0.3866 -0.3866 -0.1448 -0.1448 -0.1210 -0.1210 0.2239 0.2239 0.3070 0.3070 0.7692 0.7692 0.8262 0.8262 1.0377 1.0377 1.1001 1.1001 1.2483 1.2483 1.2886 1.2886 1.4156 1.4156 1.4652 1.4652 1.5314 1.5314 1.5585 1.5585 1.7183 1.7183 1.7626 1.7626 1.8423 1.8423 1.9104 1.9104 2.0455 2.0455 2.0793 2.0793 2.2506 2.2506 2.2605 2.2605 2.4617 2.4617 2.4784 2.4784 2.5469 2.5469 2.6386 2.6386 2.7338 2.7338 2.7988 2.7988 5.0731 5.0731 5.1478 5.1478 5.3124 5.3124 5.3562 5.3562 5.5227 5.5227 5.5660 5.5660 5.7198 5.7198 5.7519 5.7519 5.9856 5.9856 5.9982 5.9982 k = 0.5000-0.0000 0.2388 ( 17138 PWs) bands (ev): -9.8083 -9.8083 -9.8083 -9.8083 -9.4797 -9.4797 -9.4794 -9.4794 -8.8584 -8.8584 -8.8567 -8.8567 -8.8006 -8.8006 -8.7977 -8.7977 -8.6870 -8.6870 -8.6868 -8.6868 -8.6666 -8.6666 -8.6663 -8.6663 -5.4895 -5.4895 -5.4860 -5.4860 -5.2162 -5.2162 -5.2130 -5.2130 -1.0413 -1.0413 -1.0351 -1.0351 -0.8067 -0.8067 -0.7891 -0.7891 -0.5966 -0.5966 -0.5923 -0.5923 -0.4464 -0.4464 -0.3938 -0.3938 -0.1284 -0.1284 -0.1057 -0.1057 0.2560 0.2560 0.3332 0.3332 0.7666 0.7666 0.8252 0.8252 1.0276 1.0276 1.0887 1.0887 1.2626 1.2626 1.2799 1.2799 1.4303 1.4303 1.4746 1.4746 1.5259 1.5259 1.5541 1.5541 1.7145 1.7145 1.7529 1.7529 1.8394 1.8394 1.9127 1.9127 2.0424 2.0424 2.0699 2.0699 2.2471 2.2471 2.2596 2.2596 2.4669 2.4669 2.4813 2.4813 2.5416 2.5416 2.6311 2.6311 2.7380 2.7380 2.7973 2.7973 5.0717 5.0717 5.1357 5.1357 5.3117 5.3117 5.3459 5.3459 5.5130 5.5130 5.5556 5.5556 5.7172 5.7172 5.7472 5.7472 5.9790 5.9790 5.9995 5.9995 k = 0.5000-0.0000 0.2047 ( 17154 PWs) bands (ev): -9.8149 -9.8149 -9.8149 -9.8149 -9.4701 -9.4701 -9.4698 -9.4698 -8.8559 -8.8559 -8.8542 -8.8542 -8.8039 -8.8039 -8.8012 -8.8012 -8.6877 -8.6877 -8.6876 -8.6876 -8.6670 -8.6670 -8.6668 -8.6668 -5.4905 -5.4905 -5.4874 -5.4874 -5.2185 -5.2185 -5.2157 -5.2157 -1.0540 -1.0540 -1.0489 -1.0489 -0.7964 -0.7964 -0.7791 -0.7791 -0.6039 -0.6039 -0.5969 -0.5969 -0.4466 -0.4466 -0.4011 -0.4011 -0.1134 -0.1134 -0.0925 -0.0925 0.2867 0.2867 0.3559 0.3559 0.7684 0.7684 0.8286 0.8286 1.0179 1.0179 1.0755 1.0755 1.2703 1.2703 1.2758 1.2758 1.4403 1.4403 1.4830 1.4830 1.5241 1.5241 1.5499 1.5499 1.7088 1.7088 1.7432 1.7432 1.8384 1.8384 1.9129 1.9129 2.0355 2.0355 2.0591 2.0591 2.2458 2.2458 2.2594 2.2594 2.4740 2.4740 2.4842 2.4842 2.5383 2.5383 2.6239 2.6239 2.7430 2.7430 2.7958 2.7958 5.0691 5.0691 5.1209 5.1209 5.3134 5.3134 5.3364 5.3364 5.5040 5.5040 5.5449 5.5449 5.7155 5.7155 5.7427 5.7427 5.9727 5.9727 5.9980 5.9980 k = 0.5000-0.0000 0.1706 ( 17152 PWs) bands (ev): -9.8206 -9.8206 -9.8206 -9.8206 -9.4617 -9.4617 -9.4615 -9.4615 -8.8533 -8.8533 -8.8516 -8.8516 -8.8072 -8.8072 -8.8047 -8.8047 -8.6883 -8.6883 -8.6882 -8.6882 -8.6674 -8.6674 -8.6673 -8.6673 -5.4913 -5.4913 -5.4887 -5.4887 -5.2205 -5.2205 -5.2182 -5.2182 -1.0651 -1.0651 -1.0609 -1.0609 -0.7862 -0.7862 -0.7694 -0.7694 -0.6107 -0.6107 -0.6018 -0.6018 -0.4465 -0.4465 -0.4082 -0.4082 -0.1000 -0.1000 -0.0815 -0.0815 0.3151 0.3151 0.3745 0.3745 0.7748 0.7748 0.8358 0.8358 1.0079 1.0079 1.0606 1.0606 1.2613 1.2613 1.2870 1.2870 1.4440 1.4440 1.4888 1.4888 1.5283 1.5283 1.5473 1.5473 1.7018 1.7018 1.7333 1.7333 1.8392 1.8392 1.9107 1.9107 2.0271 2.0271 2.0479 2.0479 2.2462 2.2462 2.2597 2.2597 2.4816 2.4816 2.4868 2.4868 2.5378 2.5378 2.6167 2.6167 2.7487 2.7487 2.7943 2.7943 5.0654 5.0654 5.1051 5.1051 5.3164 5.3164 5.3288 5.3288 5.4961 5.4961 5.5340 5.5340 5.7146 5.7146 5.7384 5.7384 5.9675 5.9675 5.9936 5.9936 k = 0.5000-0.0000 0.1365 ( 17154 PWs) bands (ev): -9.8253 -9.8253 -9.8253 -9.8253 -9.4547 -9.4547 -9.4545 -9.4545 -8.8506 -8.8506 -8.8490 -8.8490 -8.8105 -8.8105 -8.8082 -8.8082 -8.6888 -8.6888 -8.6888 -8.6888 -8.6678 -8.6678 -8.6677 -8.6677 -5.4920 -5.4920 -5.4899 -5.4899 -5.2222 -5.2222 -5.2203 -5.2203 -1.0743 -1.0743 -1.0711 -1.0711 -0.7762 -0.7762 -0.7608 -0.7608 -0.6168 -0.6168 -0.6070 -0.6070 -0.4460 -0.4460 -0.4151 -0.4151 -0.0884 -0.0884 -0.0730 -0.0730 0.3402 0.3402 0.3886 0.3886 0.7859 0.7859 0.8458 0.8458 0.9972 0.9972 1.0443 1.0443 1.2548 1.2548 1.2943 1.2943 1.4435 1.4435 1.4905 1.4905 1.5377 1.5377 1.5477 1.5477 1.6941 1.6941 1.7231 1.7231 1.8418 1.8418 1.9057 1.9057 2.0192 2.0192 2.0373 2.0373 2.2478 2.2478 2.2599 2.2599 2.4879 2.4879 2.4891 2.4891 2.5407 2.5407 2.6093 2.6093 2.7548 2.7548 2.7925 2.7925 5.0612 5.0612 5.0899 5.0899 5.3196 5.3196 5.3236 5.3236 5.4899 5.4899 5.5233 5.5233 5.7144 5.7144 5.7343 5.7343 5.9636 5.9636 5.9874 5.9874 k = 0.5000-0.0000 0.1023 ( 17150 PWs) bands (ev): -9.8289 -9.8289 -9.8289 -9.8289 -9.4491 -9.4491 -9.4489 -9.4489 -8.8479 -8.8479 -8.8465 -8.8465 -8.8136 -8.8136 -8.8116 -8.8116 -8.6893 -8.6893 -8.6892 -8.6892 -8.6681 -8.6681 -8.6681 -8.6681 -5.4925 -5.4925 -5.4909 -5.4909 -5.2236 -5.2236 -5.2221 -5.2221 -1.0816 -1.0816 -1.0791 -1.0791 -0.7671 -0.7671 -0.7538 -0.7538 -0.6215 -0.6215 -0.6122 -0.6122 -0.4449 -0.4449 -0.4216 -0.4216 -0.0789 -0.0789 -0.0669 -0.0669 0.3616 0.3616 0.3981 0.3981 0.8011 0.8011 0.8565 0.8565 0.9862 0.9862 1.0271 1.0271 1.2525 1.2525 1.2962 1.2962 1.4433 1.4433 1.4874 1.4874 1.5491 1.5491 1.5517 1.5517 1.6870 1.6870 1.7125 1.7125 1.8461 1.8461 1.8981 1.8981 2.0133 2.0133 2.0281 2.0281 2.2500 2.2500 2.2598 2.2598 2.4911 2.4911 2.4919 2.4919 2.5471 2.5471 2.6016 2.6016 2.7611 2.7611 2.7902 2.7902 5.0570 5.0570 5.0766 5.0766 5.3208 5.3208 5.3220 5.3220 5.4858 5.4858 5.5131 5.5131 5.7149 5.7149 5.7302 5.7302 5.9613 5.9613 5.9806 5.9806 k = 0.5000-0.0000 0.0682 ( 17142 PWs) bands (ev): -9.8316 -9.8316 -9.8316 -9.8316 -9.4450 -9.4450 -9.4449 -9.4449 -8.8454 -8.8454 -8.8443 -8.8443 -8.8161 -8.8161 -8.8146 -8.8146 -8.6895 -8.6895 -8.6895 -8.6895 -8.6683 -8.6683 -8.6683 -8.6683 -5.4928 -5.4928 -5.4917 -5.4917 -5.2245 -5.2245 -5.2235 -5.2235 -1.0867 -1.0867 -1.0851 -1.0851 -0.7591 -0.7591 -0.7493 -0.7493 -0.6244 -0.6244 -0.6170 -0.6170 -0.4431 -0.4431 -0.4275 -0.4275 -0.0714 -0.0714 -0.0633 -0.0633 0.3787 0.3787 0.4031 0.4031 0.8192 0.8192 0.8643 0.8643 0.9770 0.9770 1.0096 1.0096 1.2551 1.2551 1.2920 1.2920 1.4463 1.4463 1.4805 1.4805 1.5577 1.5577 1.5592 1.5592 1.6819 1.6819 1.7018 1.7018 1.8521 1.8521 1.8886 1.8886 2.0099 2.0099 2.0204 2.0204 2.2524 2.2524 2.2592 2.2592 2.4926 2.4926 2.4938 2.4938 2.5558 2.5558 2.5934 2.5934 2.7674 2.7674 2.7872 2.7872 5.0539 5.0539 5.0659 5.0659 5.3202 5.3202 5.3233 5.3233 5.4843 5.4843 5.5038 5.5038 5.7159 5.7159 5.7264 5.7264 5.9607 5.9607 5.9741 5.9741 k = 0.5000-0.0000 0.0341 ( 17148 PWs) bands (ev): -9.8332 -9.8332 -9.8331 -9.8331 -9.4426 -9.4426 -9.4425 -9.4425 -8.8435 -8.8435 -8.8428 -8.8428 -8.8177 -8.8177 -8.8168 -8.8168 -8.6897 -8.6897 -8.6897 -8.6897 -8.6685 -8.6685 -8.6685 -8.6685 -5.4929 -5.4929 -5.4923 -5.4923 -5.2249 -5.2249 -5.2245 -5.2245 -1.0896 -1.0896 -1.0888 -1.0888 -0.7528 -0.7528 -0.7475 -0.7475 -0.6252 -0.6252 -0.6211 -0.6211 -0.4405 -0.4405 -0.4327 -0.4327 -0.0661 -0.0661 -0.0620 -0.0620 0.3914 0.3914 0.4036 0.4036 0.8383 0.8383 0.8646 0.8646 0.9741 0.9741 0.9932 0.9932 1.2621 1.2621 1.2831 1.2831 1.4529 1.4529 1.4715 1.4715 1.5635 1.5635 1.5655 1.5655 1.6807 1.6807 1.6919 1.6919 1.8596 1.8596 1.8784 1.8784 2.0092 2.0092 2.0147 2.0147 2.2547 2.2547 2.2582 2.2582 2.4937 2.4937 2.4944 2.4944 2.5655 2.5655 2.5846 2.5846 2.7733 2.7733 2.7834 2.7834 5.0526 5.0526 5.0583 5.0583 5.3209 5.3209 5.3232 5.3232 5.4856 5.4856 5.4957 5.4957 5.7176 5.7176 5.7229 5.7229 5.9617 5.9617 5.9686 5.9686 k = 0.5000-0.0000-0.0000 ( 17144 PWs) bands (ev): -9.8337 -9.8337 -9.8337 -9.8337 -9.4417 -9.4417 -9.4417 -9.4417 -8.8425 -8.8425 -8.8425 -8.8425 -8.8180 -8.8180 -8.8180 -8.8180 -8.6898 -8.6898 -8.6898 -8.6898 -8.6685 -8.6685 -8.6685 -8.6685 -5.4927 -5.4927 -5.4927 -5.4927 -5.2249 -5.2249 -5.2249 -5.2249 -1.0903 -1.0903 -1.0903 -1.0903 -0.7488 -0.7488 -0.7488 -0.7488 -0.6240 -0.6240 -0.6240 -0.6240 -0.4370 -0.4370 -0.4370 -0.4370 -0.0629 -0.0629 -0.0629 -0.0629 0.3997 0.3997 0.3997 0.3997 0.8549 0.8549 0.8549 0.8549 0.9802 0.9802 0.9802 0.9802 1.2722 1.2722 1.2722 1.2722 1.4618 1.4618 1.4618 1.4618 1.5667 1.5667 1.5667 1.5667 1.6842 1.6842 1.6842 1.6842 1.8685 1.8685 1.8685 1.8685 2.0109 2.0109 2.0109 2.0109 2.2567 2.2567 2.2567 2.2567 2.4943 2.4943 2.4943 2.4943 2.5752 2.5752 2.5752 2.5752 2.7787 2.7787 2.7787 2.7787 5.0539 5.0539 5.0539 5.0539 5.3222 5.3222 5.3222 5.3222 5.4895 5.4895 5.4895 5.4895 5.7200 5.7200 5.7200 5.7200 5.9644 5.9644 5.9644 5.9644 k = 0.0000 0.0000 0.6481 ( 17112 PWs) bands (ev): -9.7665 -9.7665 -9.7665 -9.7665 -9.5140 -9.5140 -9.5140 -9.5140 -8.9401 -8.9401 -8.9401 -8.9401 -8.7527 -8.7527 -8.7527 -8.7527 -8.7241 -8.7241 -8.7241 -8.7241 -8.6108 -8.6108 -8.6108 -8.6108 -5.4845 -5.4845 -5.4845 -5.4845 -5.1787 -5.1787 -5.1787 -5.1787 -1.0031 -1.0031 -1.0031 -1.0031 -0.7681 -0.7681 -0.7681 -0.7681 -0.6083 -0.6083 -0.6083 -0.6083 -0.3004 -0.3004 -0.3004 -0.3004 -0.0946 -0.0946 -0.0946 -0.0946 0.0493 0.0493 0.0493 0.0493 0.7211 0.7211 0.7211 0.7211 1.0664 1.0664 1.0664 1.0664 1.1147 1.1147 1.1147 1.1147 1.3176 1.3176 1.3176 1.3176 1.4809 1.4809 1.4809 1.4809 1.7200 1.7200 1.7200 1.7200 1.8868 1.8868 1.8868 1.8868 2.0754 2.0754 2.0754 2.0754 2.3301 2.3301 2.3301 2.3301 2.4916 2.4916 2.4916 2.4916 2.7049 2.7049 2.7049 2.7049 2.9207 2.9207 2.9207 2.9207 5.1711 5.1711 5.1711 5.1711 5.4137 5.4137 5.4137 5.4137 5.6349 5.6349 5.6349 5.6349 5.7755 5.7755 5.7755 5.7755 6.0155 6.0155 6.0155 6.0155 k = 0.0333-0.0000 0.6481 ( 17108 PWs) bands (ev): -9.7661 -9.7661 -9.7660 -9.7660 -9.5150 -9.5150 -9.5149 -9.5149 -8.9395 -8.9395 -8.9393 -8.9393 -8.7528 -8.7528 -8.7525 -8.7525 -8.7242 -8.7242 -8.7240 -8.7240 -8.6111 -8.6111 -8.6109 -8.6109 -5.4848 -5.4848 -5.4841 -5.4841 -5.1791 -5.1791 -5.1785 -5.1785 -1.0026 -1.0026 -1.0022 -1.0022 -0.7691 -0.7691 -0.7678 -0.7678 -0.6083 -0.6083 -0.6075 -0.6075 -0.3031 -0.3031 -0.2992 -0.2992 -0.0997 -0.0997 -0.0963 -0.0963 0.0462 0.0462 0.0540 0.0540 0.7172 0.7172 0.7301 0.7301 1.0612 1.0612 1.0692 1.0692 1.1120 1.1120 1.1222 1.1222 1.3068 1.3068 1.3303 1.3303 1.4742 1.4742 1.4904 1.4904 1.7189 1.7189 1.7195 1.7195 1.8781 1.8781 1.8930 1.8930 2.0723 2.0723 2.0808 2.0808 2.3263 2.3263 2.3345 2.3345 2.4904 2.4904 2.4907 2.4907 2.7016 2.7016 2.7073 2.7073 2.9180 2.9180 2.9211 2.9211 5.1674 5.1674 5.1732 5.1732 5.4090 5.4090 5.4172 5.4172 5.6310 5.6310 5.6379 5.6379 5.7754 5.7754 5.7759 5.7759 6.0132 6.0132 6.0182 6.0182 k = 0.0667-0.0000 0.6481 ( 17112 PWs) bands (ev): -9.7647 -9.7647 -9.7646 -9.7646 -9.5177 -9.5177 -9.5175 -9.5175 -8.9376 -8.9376 -8.9371 -8.9371 -8.7529 -8.7529 -8.7522 -8.7522 -8.7243 -8.7243 -8.7238 -8.7238 -8.6121 -8.6121 -8.6117 -8.6117 -5.4848 -5.4848 -5.4836 -5.4836 -5.1798 -5.1798 -5.1786 -5.1786 -1.0007 -1.0007 -0.9999 -0.9999 -0.7709 -0.7709 -0.7684 -0.7684 -0.6077 -0.6077 -0.6059 -0.6059 -0.3073 -0.3073 -0.2996 -0.2996 -0.1107 -0.1107 -0.1043 -0.1043 0.0442 0.0442 0.0599 0.0599 0.7184 0.7184 0.7443 0.7443 1.0551 1.0551 1.0680 1.0680 1.1158 1.1158 1.1323 1.1323 1.2990 1.2990 1.3440 1.3440 1.4711 1.4711 1.5017 1.5017 1.7154 1.7154 1.7185 1.7185 1.8672 1.8672 1.8963 1.8963 2.0716 2.0716 2.0879 2.0879 2.3232 2.3232 2.3391 2.3391 2.4868 2.4868 2.4881 2.4881 2.6975 2.6975 2.7086 2.7086 2.9130 2.9130 2.9191 2.9191 5.1623 5.1623 5.1739 5.1739 5.4035 5.4035 5.4195 5.4195 5.6264 5.6264 5.6397 5.6397 5.7758 5.7758 5.7765 5.7765 6.0112 6.0112 6.0215 6.0215 k = 0.1000-0.0000 0.6481 ( 17118 PWs) bands (ev): -9.7624 -9.7624 -9.7622 -9.7622 -9.5221 -9.5221 -9.5218 -9.5218 -8.9344 -8.9344 -8.9337 -8.9337 -8.7531 -8.7531 -8.7521 -8.7521 -8.7241 -8.7241 -8.7234 -8.7234 -8.6137 -8.6137 -8.6131 -8.6131 -5.4847 -5.4847 -5.4828 -5.4828 -5.1806 -5.1806 -5.1789 -5.1789 -0.9975 -0.9975 -0.9963 -0.9963 -0.7732 -0.7732 -0.7696 -0.7696 -0.6068 -0.6068 -0.6036 -0.6036 -0.3129 -0.3129 -0.3013 -0.3013 -0.1261 -0.1261 -0.1171 -0.1171 0.0422 0.0422 0.0659 0.0659 0.7243 0.7243 0.7633 0.7633 1.0489 1.0489 1.0639 1.0639 1.1253 1.1253 1.1434 1.1434 1.2949 1.2949 1.3574 1.3574 1.4723 1.4723 1.5138 1.5138 1.7092 1.7092 1.7184 1.7184 1.8547 1.8547 1.8968 1.8968 2.0729 2.0729 2.0959 2.0959 2.3212 2.3212 2.3438 2.3438 2.4809 2.4809 2.4840 2.4840 2.6925 2.6925 2.7091 2.7091 2.9059 2.9059 2.9148 2.9148 5.1557 5.1557 5.1730 5.1730 5.3974 5.3974 5.4205 5.4205 5.6216 5.6216 5.6404 5.6404 5.7765 5.7765 5.7772 5.7772 6.0094 6.0094 6.0252 6.0252 k = 0.1333-0.0000 0.6481 ( 17122 PWs) bands (ev): -9.7591 -9.7591 -9.7590 -9.7590 -9.5280 -9.5280 -9.5276 -9.5276 -8.9301 -8.9301 -8.9292 -8.9292 -8.7537 -8.7537 -8.7522 -8.7522 -8.7236 -8.7236 -8.7226 -8.7226 -8.6158 -8.6158 -8.6150 -8.6150 -5.4844 -5.4844 -5.4819 -5.4819 -5.1817 -5.1817 -5.1794 -5.1794 -0.9931 -0.9931 -0.9914 -0.9914 -0.7759 -0.7759 -0.7713 -0.7713 -0.6057 -0.6057 -0.6008 -0.6008 -0.3200 -0.3200 -0.3043 -0.3043 -0.1442 -0.1442 -0.1332 -0.1332 0.0393 0.0393 0.0711 0.0711 0.7346 0.7346 0.7867 0.7867 1.0429 1.0429 1.0588 1.0588 1.1384 1.1384 1.1543 1.1543 1.2952 1.2952 1.3695 1.3695 1.4780 1.4780 1.5259 1.5259 1.7003 1.7003 1.7203 1.7203 1.8414 1.8414 1.8947 1.8947 2.0755 2.0755 2.1038 2.1038 2.3204 2.3204 2.3482 2.3482 2.4730 2.4730 2.4792 2.4792 2.6869 2.6869 2.7087 2.7087 2.8969 2.8969 2.9082 2.9082 5.1477 5.1477 5.1707 5.1707 5.3913 5.3913 5.4202 5.4202 5.6170 5.6170 5.6399 5.6399 5.7776 5.7776 5.7779 5.7779 6.0078 6.0078 6.0295 6.0295 k = 0.1667-0.0000 0.6481 ( 17138 PWs) bands (ev): -9.7550 -9.7550 -9.7548 -9.7548 -9.5353 -9.5353 -9.5348 -9.5348 -8.9248 -8.9248 -8.9237 -8.9237 -8.7547 -8.7547 -8.7528 -8.7528 -8.7225 -8.7225 -8.7211 -8.7211 -8.6185 -8.6185 -8.6176 -8.6176 -5.4839 -5.4839 -5.4809 -5.4809 -5.1829 -5.1829 -5.1801 -5.1801 -0.9877 -0.9877 -0.9854 -0.9854 -0.7788 -0.7788 -0.7734 -0.7734 -0.6049 -0.6049 -0.5978 -0.5978 -0.3284 -0.3284 -0.3083 -0.3083 -0.1635 -0.1635 -0.1510 -0.1510 0.0352 0.0352 0.0747 0.0747 0.7486 0.7486 0.8140 0.8140 1.0371 1.0371 1.0540 1.0540 1.1535 1.1535 1.1638 1.1638 1.3000 1.3000 1.3800 1.3800 1.4878 1.4878 1.5373 1.5373 1.6891 1.6891 1.7254 1.7254 1.8279 1.8279 1.8903 1.8903 2.0785 2.0785 2.1107 2.1107 2.3206 2.3206 2.3521 2.3521 2.4634 2.4634 2.4744 2.4744 2.6809 2.6809 2.7077 2.7077 2.8863 2.8863 2.8996 2.8996 5.1384 5.1384 5.1668 5.1668 5.3855 5.3855 5.4186 5.4186 5.6132 5.6132 5.6384 5.6384 5.7784 5.7784 5.7789 5.7789 6.0061 6.0061 6.0342 6.0342 k = 0.2000-0.0000 0.6481 ( 17138 PWs) bands (ev): -9.7501 -9.7501 -9.7498 -9.7498 -9.5437 -9.5437 -9.5432 -9.5432 -8.9187 -8.9187 -8.9175 -8.9175 -8.7564 -8.7564 -8.7541 -8.7541 -8.7205 -8.7205 -8.7189 -8.7189 -8.6217 -8.6217 -8.6206 -8.6206 -5.4834 -5.4834 -5.4798 -5.4798 -5.1843 -5.1843 -5.1809 -5.1809 -0.9813 -0.9813 -0.9783 -0.9783 -0.7815 -0.7815 -0.7756 -0.7756 -0.6048 -0.6048 -0.5947 -0.5947 -0.3379 -0.3379 -0.3132 -0.3132 -0.1830 -0.1830 -0.1692 -0.1692 0.0297 0.0297 0.0767 0.0767 0.7657 0.7657 0.8444 0.8444 1.0317 1.0317 1.0501 1.0501 1.1691 1.1691 1.1713 1.1713 1.3087 1.3087 1.3890 1.3890 1.5001 1.5001 1.5480 1.5480 1.6766 1.6766 1.7341 1.7341 1.8150 1.8150 1.8841 1.8841 2.0806 2.0806 2.1156 2.1156 2.3216 2.3216 2.3551 2.3551 2.4530 2.4530 2.4706 2.4706 2.6744 2.6744 2.7062 2.7062 2.8743 2.8743 2.8889 2.8889 5.1283 5.1283 5.1615 5.1615 5.3805 5.3805 5.4158 5.4158 5.6102 5.6102 5.6361 5.6361 5.7788 5.7788 5.7804 5.7804 6.0044 6.0044 6.0393 6.0393 k = 0.2333-0.0000 0.6481 ( 17126 PWs) bands (ev): -9.7443 -9.7443 -9.7441 -9.7441 -9.5531 -9.5531 -9.5525 -9.5525 -8.9121 -8.9121 -8.9107 -8.9107 -8.7588 -8.7588 -8.7562 -8.7562 -8.7176 -8.7176 -8.7157 -8.7157 -8.6255 -8.6255 -8.6243 -8.6243 -5.4828 -5.4828 -5.4787 -5.4787 -5.1857 -5.1857 -5.1818 -5.1818 -0.9743 -0.9743 -0.9705 -0.9705 -0.7839 -0.7839 -0.7777 -0.7777 -0.6057 -0.6057 -0.5919 -0.5919 -0.3484 -0.3484 -0.3185 -0.3185 -0.2017 -0.2017 -0.1868 -0.1868 0.0230 0.0230 0.0769 0.0769 0.7852 0.7852 0.8770 0.8770 1.0266 1.0266 1.0476 1.0476 1.1768 1.1768 1.1840 1.1840 1.3196 1.3196 1.3976 1.3976 1.5124 1.5124 1.5588 1.5588 1.6641 1.6641 1.7462 1.7462 1.8037 1.8037 1.8766 1.8766 2.0805 2.0805 2.1177 2.1177 2.3224 2.3224 2.3569 2.3569 2.4433 2.4433 2.4688 2.4688 2.6678 2.6678 2.7046 2.7046 2.8613 2.8613 2.8766 2.8766 5.1176 5.1176 5.1551 5.1551 5.3766 5.3766 5.4119 5.4119 5.6085 5.6085 5.6332 5.6332 5.7790 5.7790 5.7820 5.7820 6.0027 6.0027 6.0447 6.0447 k = 0.2667-0.0000 0.6481 ( 17124 PWs) bands (ev): -9.7379 -9.7379 -9.7376 -9.7376 -9.5632 -9.5632 -9.5625 -9.5625 -8.9053 -8.9053 -8.9037 -8.9037 -8.7617 -8.7617 -8.7588 -8.7588 -8.7138 -8.7138 -8.7118 -8.7118 -8.6298 -8.6298 -8.6284 -8.6284 -5.4821 -5.4821 -5.4776 -5.4776 -5.1871 -5.1871 -5.1827 -5.1827 -0.9669 -0.9669 -0.9622 -0.9622 -0.7858 -0.7858 -0.7796 -0.7796 -0.6080 -0.6080 -0.5896 -0.5896 -0.3595 -0.3595 -0.3239 -0.3239 -0.2191 -0.2191 -0.2030 -0.2030 0.0157 0.0157 0.0757 0.0757 0.8062 0.8062 0.9105 0.9105 1.0216 1.0216 1.0473 1.0473 1.1811 1.1811 1.1969 1.1969 1.3304 1.3304 1.4065 1.4065 1.5215 1.5215 1.5712 1.5712 1.6533 1.6533 1.7608 1.7608 1.7955 1.7955 1.8686 1.8686 2.0771 2.0771 2.1162 2.1162 2.3220 2.3220 2.3573 2.3573 2.4357 2.4357 2.4697 2.4697 2.6612 2.6612 2.7032 2.7032 2.8477 2.8477 2.8627 2.8627 5.1068 5.1068 5.1478 5.1478 5.3737 5.3737 5.4072 5.4072 5.6078 5.6078 5.6299 5.6299 5.7789 5.7789 5.7835 5.7835 6.0010 6.0010 6.0505 6.0505 k = 0.3000-0.0000 0.6481 ( 17122 PWs) bands (ev): -9.7309 -9.7309 -9.7306 -9.7306 -9.5737 -9.5737 -9.5730 -9.5730 -8.8983 -8.8983 -8.8966 -8.8966 -8.7650 -8.7650 -8.7619 -8.7619 -8.7092 -8.7092 -8.7072 -8.7072 -8.6346 -8.6346 -8.6331 -8.6331 -5.4815 -5.4815 -5.4765 -5.4765 -5.1885 -5.1885 -5.1837 -5.1837 -0.9593 -0.9593 -0.9538 -0.9538 -0.7870 -0.7870 -0.7810 -0.7810 -0.6117 -0.6117 -0.5880 -0.5880 -0.3707 -0.3707 -0.3287 -0.3287 -0.2348 -0.2348 -0.2173 -0.2173 0.0082 0.0082 0.0734 0.0734 0.8280 0.8280 0.9430 0.9430 1.0161 1.0161 1.0501 1.0501 1.1854 1.1854 1.2064 1.2064 1.3385 1.3385 1.4157 1.4157 1.5251 1.5251 1.5864 1.5864 1.6453 1.6453 1.7761 1.7761 1.7925 1.7925 1.8613 1.8613 2.0693 2.0693 2.1104 2.1104 2.3196 2.3196 2.3567 2.3567 2.4318 2.4318 2.4733 2.4733 2.6548 2.6548 2.7026 2.7026 2.8341 2.8341 2.8476 2.8476 5.0964 5.0964 5.1401 5.1401 5.3720 5.3720 5.4019 5.4019 5.6082 5.6082 5.6263 5.6263 5.7788 5.7788 5.7850 5.7850 5.9994 5.9994 6.0565 6.0565 k = 0.3333-0.0000 0.6481 ( 17142 PWs) bands (ev): -9.7236 -9.7236 -9.7232 -9.7232 -9.5843 -9.5843 -9.5836 -9.5836 -8.8916 -8.8916 -8.8899 -8.8899 -8.7685 -8.7685 -8.7653 -8.7653 -8.7040 -8.7040 -8.7020 -8.7020 -8.6398 -8.6398 -8.6382 -8.6382 -5.4808 -5.4808 -5.4754 -5.4754 -5.1898 -5.1898 -5.1846 -5.1846 -0.9521 -0.9521 -0.9457 -0.9457 -0.7873 -0.7873 -0.7820 -0.7820 -0.6168 -0.6168 -0.5872 -0.5872 -0.3814 -0.3814 -0.3326 -0.3326 -0.2486 -0.2486 -0.2295 -0.2295 0.0009 0.0009 0.0706 0.0706 0.8500 0.8500 0.9717 0.9717 1.0096 1.0096 1.0582 1.0582 1.1907 1.1907 1.2121 1.2121 1.3424 1.3424 1.4245 1.4245 1.5233 1.5233 1.6052 1.6052 1.6392 1.6392 1.7886 1.7886 1.7969 1.7969 1.8578 1.8578 2.0565 2.0565 2.0999 2.0999 2.3153 2.3153 2.3553 2.3553 2.4318 2.4318 2.4791 2.4791 2.6487 2.6487 2.7031 2.7031 2.8209 2.8209 2.8316 2.8316 5.0867 5.0867 5.1326 5.1326 5.3711 5.3711 5.3964 5.3964 5.6094 5.6094 5.6228 5.6228 5.7785 5.7785 5.7864 5.7864 5.9978 5.9978 6.0628 6.0628 k = 0.3667-0.0000 0.6481 ( 17156 PWs) bands (ev): -9.7160 -9.7160 -9.7157 -9.7157 -9.5946 -9.5946 -9.5939 -9.5939 -8.8854 -8.8854 -8.8836 -8.8836 -8.7720 -8.7720 -8.7687 -8.7687 -8.6984 -8.6984 -8.6963 -8.6963 -8.6454 -8.6454 -8.6436 -8.6436 -5.4802 -5.4802 -5.4745 -5.4745 -5.1909 -5.1909 -5.1854 -5.1854 -0.9455 -0.9455 -0.9382 -0.9382 -0.7867 -0.7867 -0.7825 -0.7825 -0.6229 -0.6229 -0.5872 -0.5872 -0.3911 -0.3911 -0.3352 -0.3352 -0.2606 -0.2606 -0.2393 -0.2393 -0.0057 -0.0057 0.0676 0.0676 0.8716 0.8716 0.9926 0.9926 1.0015 1.0015 1.0743 1.0743 1.1975 1.1975 1.2135 1.2135 1.3417 1.3417 1.4301 1.4301 1.5205 1.5205 1.6270 1.6270 1.6325 1.6325 1.7932 1.7932 1.8097 1.8097 1.8630 1.8630 2.0386 2.0386 2.0844 2.0844 2.3103 2.3103 2.3539 2.3539 2.4350 2.4350 2.4860 2.4860 2.6432 2.6432 2.7055 2.7055 2.8087 2.8087 2.8150 2.8150 5.0783 5.0783 5.1256 5.1256 5.3708 5.3708 5.3912 5.3912 5.6110 5.6110 5.6194 5.6194 5.7782 5.7782 5.7876 5.7876 5.9965 5.9965 6.0692 6.0692 k = 0.4000-0.0000 0.6481 ( 17154 PWs) bands (ev): -9.7088 -9.7088 -9.7084 -9.7084 -9.6041 -9.6041 -9.6034 -9.6034 -8.8800 -8.8800 -8.8782 -8.8782 -8.7752 -8.7752 -8.7718 -8.7718 -8.6924 -8.6924 -8.6903 -8.6903 -8.6513 -8.6513 -8.6494 -8.6494 -5.4798 -5.4798 -5.4738 -5.4738 -5.1919 -5.1919 -5.1861 -5.1861 -0.9399 -0.9399 -0.9320 -0.9320 -0.7854 -0.7854 -0.7826 -0.7826 -0.6293 -0.6293 -0.5879 -0.5879 -0.3991 -0.3991 -0.3366 -0.3366 -0.2705 -0.2705 -0.2468 -0.2468 -0.0112 -0.0112 0.0648 0.0648 0.8925 0.8925 0.9914 0.9914 1.0048 1.0048 1.0979 1.0979 1.2057 1.2057 1.2106 1.2106 1.3374 1.3374 1.4296 1.4296 1.5220 1.5220 1.6234 1.6234 1.6502 1.6502 1.7884 1.7884 1.8301 1.8301 1.8781 1.8781 2.0163 2.0163 2.0646 2.0646 2.3058 2.3058 2.3527 2.3527 2.4397 2.4397 2.4930 2.4930 2.6385 2.6385 2.7099 2.7099 2.7983 2.7983 2.7984 2.7984 5.0714 5.0714 5.1198 5.1198 5.3710 5.3710 5.3866 5.3866 5.6126 5.6126 5.6165 5.6165 5.7779 5.7779 5.7886 5.7886 5.9954 5.9954 6.0759 6.0759 k = 0.4333-0.0000 0.6481 ( 17154 PWs) bands (ev): -9.7024 -9.7024 -9.7020 -9.7020 -9.6122 -9.6122 -9.6115 -9.6115 -8.8758 -8.8758 -8.8741 -8.8741 -8.7778 -8.7778 -8.7743 -8.7743 -8.6863 -8.6863 -8.6843 -8.6843 -8.6573 -8.6573 -8.6553 -8.6553 -5.4794 -5.4794 -5.4732 -5.4732 -5.1926 -5.1926 -5.1867 -5.1867 -0.9356 -0.9356 -0.9272 -0.9272 -0.7838 -0.7838 -0.7825 -0.7825 -0.6351 -0.6351 -0.5888 -0.5888 -0.4051 -0.4051 -0.3369 -0.3369 -0.2782 -0.2782 -0.2521 -0.2521 -0.0154 -0.0154 0.0625 0.0625 0.9124 0.9124 0.9793 0.9793 1.0112 1.0112 1.1249 1.1249 1.2033 1.2033 1.2142 1.2142 1.3312 1.3312 1.4238 1.4238 1.5294 1.5294 1.6126 1.6126 1.6728 1.6728 1.7780 1.7780 1.8555 1.8555 1.8984 1.8984 1.9908 1.9908 2.0424 2.0424 2.3025 2.3025 2.3519 2.3519 2.4444 2.4444 2.4988 2.4988 2.6348 2.6348 2.7163 2.7163 2.7827 2.7827 2.7903 2.7903 5.0664 5.0664 5.1153 5.1153 5.3713 5.3713 5.3830 5.3830 5.6141 5.6141 5.6143 5.6143 5.7776 5.7776 5.7893 5.7893 5.9946 5.9946 6.0827 6.0827 k = 0.4667-0.0000 0.6481 ( 17146 PWs) bands (ev): -9.6978 -9.6978 -9.6974 -9.6974 -9.6178 -9.6178 -9.6171 -9.6171 -8.8732 -8.8732 -8.8714 -8.8714 -8.7796 -8.7796 -8.7760 -8.7760 -8.6806 -8.6806 -8.6787 -8.6787 -8.6629 -8.6629 -8.6607 -8.6607 -5.4791 -5.4791 -5.4728 -5.4728 -5.1930 -5.1930 -5.1870 -5.1870 -0.9330 -0.9330 -0.9243 -0.9243 -0.7825 -0.7825 -0.7822 -0.7822 -0.6391 -0.6391 -0.5896 -0.5896 -0.4087 -0.4087 -0.3367 -0.3367 -0.2831 -0.2831 -0.2553 -0.2553 -0.0180 -0.0180 0.0611 0.0611 0.9309 0.9309 0.9653 0.9653 1.0142 1.0142 1.1506 1.1506 1.1914 1.1914 1.2210 1.2210 1.3256 1.3256 1.4174 1.4174 1.5387 1.5387 1.6025 1.6025 1.6912 1.6912 1.7668 1.7668 1.8818 1.8818 1.9179 1.9179 1.9649 1.9649 2.0219 2.0219 2.3006 2.3006 2.3514 2.3514 2.4477 2.4477 2.5027 2.5027 2.6325 2.6325 2.7236 2.7236 2.7696 2.7696 2.7852 2.7852 5.0632 5.0632 5.1125 5.1125 5.3715 5.3715 5.3807 5.3807 5.6129 5.6129 5.6151 5.6151 5.7774 5.7774 5.7898 5.7898 5.9941 5.9941 6.0895 6.0895 k = 0.5000-0.0000 0.6481 ( 17144 PWs) bands (ev): -9.6961 -9.6961 -9.6957 -9.6957 -9.6199 -9.6199 -9.6191 -9.6191 -8.8722 -8.8722 -8.8704 -8.8704 -8.7802 -8.7802 -8.7766 -8.7766 -8.6776 -8.6776 -8.6757 -8.6757 -8.6659 -8.6659 -8.6637 -8.6637 -5.4791 -5.4791 -5.4727 -5.4727 -5.1931 -5.1931 -5.1871 -5.1871 -0.9321 -0.9321 -0.9233 -0.9233 -0.7821 -0.7821 -0.7820 -0.7820 -0.6405 -0.6405 -0.5899 -0.5899 -0.4100 -0.4100 -0.3366 -0.3366 -0.2848 -0.2848 -0.2563 -0.2563 -0.0188 -0.0188 0.0606 0.0606 0.9446 0.9446 0.9532 0.9532 1.0151 1.0151 1.1690 1.1690 1.1780 1.1780 1.2237 1.2237 1.3233 1.3233 1.4147 1.4147 1.5432 1.5432 1.5978 1.5978 1.6992 1.6992 1.7613 1.7613 1.8968 1.8968 1.9272 1.9272 1.9502 1.9502 2.0123 2.0123 2.2999 2.2999 2.3513 2.3513 2.4489 2.4489 2.5040 2.5040 2.6317 2.6317 2.7275 2.7275 2.7638 2.7638 2.7834 2.7834 5.0622 5.0622 5.1116 5.1116 5.3716 5.3716 5.3799 5.3799 5.6124 5.6124 5.6154 5.6154 5.7774 5.7774 5.7900 5.7900 5.9939 5.9939 6.0954 6.0954 Writing output data file SbI3.save init_run : 0.65s CPU 0.82s WALL ( 1 calls) electrons : 606.15s CPU 612.61s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.06s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 606.14s CPU 612.59s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.23s CPU 0.31s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.12s CPU 0.21s WALL ( 172 calls) cegterg : 560.78s CPU 566.18s WALL ( 173 calls) Called by sum_band: Called by *egterg: h_psi : 294.20s CPU 297.82s WALL ( 3469 calls) s_psi : 48.30s CPU 48.34s WALL ( 3469 calls) g_psi : 0.48s CPU 0.57s WALL ( 3124 calls) cdiaghg : 176.85s CPU 178.00s WALL ( 3296 calls) cegterg:over : 32.70s CPU 32.50s WALL ( 3124 calls) cegterg:upda : 22.43s CPU 22.28s WALL ( 3124 calls) cegterg:last : 13.40s CPU 13.41s WALL ( 541 calls) cdiaghg:chol : 7.79s CPU 8.13s WALL ( 3296 calls) cdiaghg:inve : 6.43s CPU 6.41s WALL ( 3296 calls) cdiaghg:para : 13.58s CPU 13.84s WALL ( 6592 calls) Called by h_psi: h_psi:vloc : 220.26s CPU 223.72s WALL ( 3469 calls) h_psi:vnl : 73.30s CPU 73.50s WALL ( 3469 calls) add_vuspsi : 37.56s CPU 37.72s WALL ( 3469 calls) General routines calbec : 35.71s CPU 35.77s WALL ( 3469 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 209.09s CPU 212.50s WALL ( 932612 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.13s CPU 0.28s WALL ( 344 calls) Parallel routines fft_scatter : 137.17s CPU 139.63s WALL ( 932635 calls) PWSCF : 11m18.65s CPU 11m48.37s WALL This run was terminated on: 2:24:23 1Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=