Program PWSCF v.5.4.0 starts on 10Feb2017 at 15:41:57 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./RbSrCO3F.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 62 38 11 2178 1037 159 Max 63 39 12 2183 1051 163 Sum 2245 1393 397 78473 37577 5805 bravais-lattice index = 14 lattice parameter (alat) = 10.0155 a.u. unit-cell volume = 786.3473 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 5 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.015548 celldm(2)= 1.000000 celldm(3)= 0.903774 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 0.903774 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 1.106472 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 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 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 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. # 5 for Rb read from file: /users/gautes/Pseudo/Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 948b8f0a9070089a35782939cf30e963 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1219 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) F 7.00 18.99840 F( 1.00) C 4.00 12.01070 C( 1.00) Sr 10.00 87.62000 Sr( 1.00) Rb 9.00 85.46780 Rb( 1.00) 12 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,1,0] cryst. s( 2) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [2,1,0] cryst. s( 6) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 7) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 7) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 9) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s(10) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3h (-62m) there are 9 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3C2' s_h 2S3 -2S3 3s_v -3C2' -s_h' -3s_v G_7 2.00 -2.00 1.00 -1.00 0.00 0.00 1.73 -1.73 0.00 G_8 2.00 -2.00 1.00 -1.00 0.00 0.00 -1.73 1.73 0.00 G_9 2.00 -2.00 -2.00 2.00 0.00 0.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2'-3C2' 2 -6 -5 -2 5 6 180 deg rotation - cart. axis [0,1,0] 2S3 9 10 inv. 60 deg rotation - cryst. axis [0,0,1] -2S3 -9 -10 inv. 60 deg rotation - cryst. axis [0,0,1] E 3s_v-3s_v 7 -7 inv. 180 deg rotation - cart. axis [0,0,1] 3s_v-3s_v 8 -8 11 -12 -11 12 inv. 180 deg rotation - cart. axis [1,0,0] Cartesian axes number of k points= 298 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557 k( 2) = ( 0.0142857 0.0082479 -0.0000000), wk = 0.0033557 k( 3) = ( 0.0285714 0.0164957 -0.0000000), wk = 0.0033557 k( 4) = ( 0.0428571 0.0247436 -0.0000000), wk = 0.0033557 k( 5) = ( 0.0571429 0.0329914 -0.0000000), wk = 0.0033557 k( 6) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0033557 k( 7) = ( 0.0857143 0.0494872 -0.0000000), wk = 0.0033557 k( 8) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0033557 k( 9) = ( 0.1142857 0.0659829 -0.0000000), wk = 0.0033557 k( 10) = ( 0.1285714 0.0742307 -0.0000000), wk = 0.0033557 k( 11) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0033557 k( 12) = ( 0.1571429 0.0907265 -0.0000000), wk = 0.0033557 k( 13) = ( 0.1714286 0.0989743 -0.0000000), wk = 0.0033557 k( 14) = ( 0.1857143 0.1072222 -0.0000000), wk = 0.0033557 k( 15) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0033557 k( 16) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0033557 k( 17) = ( 0.2285714 0.1319658 -0.0000000), wk = 0.0033557 k( 18) = ( 0.2428571 0.1402136 -0.0000000), wk = 0.0033557 k( 19) = ( 0.2571429 0.1484615 -0.0000000), wk = 0.0033557 k( 20) = ( 0.2714286 0.1567094 -0.0000000), wk = 0.0033557 k( 21) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0033557 k( 22) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0033557 k( 23) = ( 0.3142857 0.1814529 -0.0000000), wk = 0.0033557 k( 24) = ( 0.3285714 0.1897008 -0.0000000), wk = 0.0033557 k( 25) = ( 0.3428571 0.1979487 -0.0000000), wk = 0.0033557 k( 26) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0033557 k( 27) = ( 0.3714286 0.2144444 -0.0000000), wk = 0.0033557 k( 28) = ( 0.3857143 0.2226922 -0.0000000), wk = 0.0033557 k( 29) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0033557 k( 30) = ( 0.4142857 0.2391880 -0.0000000), wk = 0.0033557 k( 31) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0033557 k( 32) = ( 0.4428571 0.2556837 -0.0000000), wk = 0.0033557 k( 33) = ( 0.4571429 0.2639316 -0.0000000), wk = 0.0033557 k( 34) = ( 0.4714286 0.2721794 -0.0000000), wk = 0.0033557 k( 35) = ( 0.4857143 0.2804273 -0.0000000), wk = 0.0033557 k( 36) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033557 k( 37) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033557 k( 38) = ( 0.4916667 0.3031089 -0.0000000), wk = 0.0033557 k( 39) = ( 0.4833333 0.3175426 -0.0000000), wk = 0.0033557 k( 40) = ( 0.4750000 0.3319764 -0.0000000), wk = 0.0033557 k( 41) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0033557 k( 42) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0033557 k( 43) = ( 0.4500000 0.3752777 -0.0000000), wk = 0.0033557 k( 44) = ( 0.4416667 0.3897114 -0.0000000), wk = 0.0033557 k( 45) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0033557 k( 46) = ( 0.4250000 0.4185789 -0.0000000), wk = 0.0033557 k( 47) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0033557 k( 48) = ( 0.4083333 0.4474465 -0.0000000), wk = 0.0033557 k( 49) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0033557 k( 50) = ( 0.3916667 0.4763140 -0.0000000), wk = 0.0033557 k( 51) = ( 0.3833333 0.4907477 -0.0000000), wk = 0.0033557 k( 52) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0033557 k( 53) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0033557 k( 54) = ( 0.3583333 0.5340490 -0.0000000), wk = 0.0033557 k( 55) = ( 0.3500000 0.5484828 -0.0000000), wk = 0.0033557 k( 56) = ( 0.3416667 0.5629165 -0.0000000), wk = 0.0033557 k( 57) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033557 k( 58) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033557 k( 59) = ( 0.3250000 0.5629165 -0.0000000), wk = 0.0033557 k( 60) = ( 0.3166667 0.5484828 -0.0000000), wk = 0.0033557 k( 61) = ( 0.3083333 0.5340490 -0.0000000), wk = 0.0033557 k( 62) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0033557 k( 63) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0033557 k( 64) = ( 0.2833333 0.4907477 -0.0000000), wk = 0.0033557 k( 65) = ( 0.2750000 0.4763140 -0.0000000), wk = 0.0033557 k( 66) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0033557 k( 67) = ( 0.2583333 0.4474465 -0.0000000), wk = 0.0033557 k( 68) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0033557 k( 69) = ( 0.2416667 0.4185790 -0.0000000), wk = 0.0033557 k( 70) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0033557 k( 71) = ( 0.2250000 0.3897114 -0.0000000), wk = 0.0033557 k( 72) = ( 0.2166667 0.3752777 -0.0000000), wk = 0.0033557 k( 73) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0033557 k( 74) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0033557 k( 75) = ( 0.1916667 0.3319764 -0.0000000), wk = 0.0033557 k( 76) = ( 0.1833333 0.3175426 -0.0000000), wk = 0.0033557 k( 77) = ( 0.1750000 0.3031089 -0.0000000), wk = 0.0033557 k( 78) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0033557 k( 79) = ( 0.1583333 0.2742414 -0.0000000), wk = 0.0033557 k( 80) = ( 0.1500000 0.2598076 -0.0000000), wk = 0.0033557 k( 81) = ( 0.1416667 0.2453739 -0.0000000), wk = 0.0033557 k( 82) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0033557 k( 83) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0033557 k( 84) = ( 0.1166667 0.2020726 -0.0000000), wk = 0.0033557 k( 85) = ( 0.1083333 0.1876388 -0.0000000), wk = 0.0033557 k( 86) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0033557 k( 87) = ( 0.0916667 0.1587713 -0.0000000), wk = 0.0033557 k( 88) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0033557 k( 89) = ( 0.0750000 0.1299038 -0.0000000), wk = 0.0033557 k( 90) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0033557 k( 91) = ( 0.0583333 0.1010363 -0.0000000), wk = 0.0033557 k( 92) = ( 0.0500000 0.0866025 -0.0000000), wk = 0.0033557 k( 93) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0033557 k( 94) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0033557 k( 95) = ( 0.0250000 0.0433013 -0.0000000), wk = 0.0033557 k( 96) = ( 0.0166667 0.0288675 -0.0000000), wk = 0.0033557 k( 97) = ( 0.0083333 0.0144338 -0.0000000), wk = 0.0033557 k( 98) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557 k( 100) = ( 0.0000000 0.0000000 0.0167647), wk = 0.0033557 k( 101) = ( 0.0000000 0.0000000 0.0335294), wk = 0.0033557 k( 102) = ( 0.0000000 0.0000000 0.0502942), wk = 0.0033557 k( 103) = ( 0.0000000 0.0000000 0.0670589), wk = 0.0033557 k( 104) = ( 0.0000000 0.0000000 0.0838236), wk = 0.0033557 k( 105) = ( 0.0000000 0.0000000 0.1005883), wk = 0.0033557 k( 106) = ( 0.0000000 0.0000000 0.1173531), wk = 0.0033557 k( 107) = ( 0.0000000 0.0000000 0.1341178), wk = 0.0033557 k( 108) = ( 0.0000000 0.0000000 0.1508825), wk = 0.0033557 k( 109) = ( 0.0000000 0.0000000 0.1676472), wk = 0.0033557 k( 110) = ( 0.0000000 0.0000000 0.1844120), wk = 0.0033557 k( 111) = ( 0.0000000 0.0000000 0.2011767), wk = 0.0033557 k( 112) = ( 0.0000000 0.0000000 0.2179414), wk = 0.0033557 k( 113) = ( 0.0000000 0.0000000 0.2347061), wk = 0.0033557 k( 114) = ( 0.0000000 0.0000000 0.2514709), wk = 0.0033557 k( 115) = ( 0.0000000 0.0000000 0.2682356), wk = 0.0033557 k( 116) = ( 0.0000000 0.0000000 0.2850003), wk = 0.0033557 k( 117) = ( 0.0000000 0.0000000 0.3017650), wk = 0.0033557 k( 118) = ( 0.0000000 0.0000000 0.3185298), wk = 0.0033557 k( 119) = ( 0.0000000 0.0000000 0.3352945), wk = 0.0033557 k( 120) = ( 0.0000000 0.0000000 0.3520592), wk = 0.0033557 k( 121) = ( 0.0000000 0.0000000 0.3688239), wk = 0.0033557 k( 122) = ( 0.0000000 0.0000000 0.3855887), wk = 0.0033557 k( 123) = ( 0.0000000 0.0000000 0.4023534), wk = 0.0033557 k( 124) = ( 0.0000000 0.0000000 0.4191181), wk = 0.0033557 k( 125) = ( 0.0000000 0.0000000 0.4358828), wk = 0.0033557 k( 126) = ( 0.0000000 0.0000000 0.4526476), wk = 0.0033557 k( 127) = ( 0.0000000 0.0000000 0.4694123), wk = 0.0033557 k( 128) = ( 0.0000000 0.0000000 0.4861770), wk = 0.0033557 k( 129) = ( 0.0000000 0.0000000 0.5029417), wk = 0.0033557 k( 130) = ( 0.0000000 0.0000000 0.5197065), wk = 0.0033557 k( 131) = ( 0.0000000 0.0000000 0.5364712), wk = 0.0033557 k( 132) = ( 0.0000000 0.0000000 0.5532359), wk = 0.0033557 k( 133) = ( 0.0000000 0.0000000 0.5532359), wk = 0.0033557 k( 134) = ( 0.0142857 0.0082479 0.5532359), wk = 0.0033557 k( 135) = ( 0.0285714 0.0164957 0.5532359), wk = 0.0033557 k( 136) = ( 0.0428571 0.0247436 0.5532359), wk = 0.0033557 k( 137) = ( 0.0571429 0.0329914 0.5532359), wk = 0.0033557 k( 138) = ( 0.0714286 0.0412393 0.5532359), wk = 0.0033557 k( 139) = ( 0.0857143 0.0494872 0.5532359), wk = 0.0033557 k( 140) = ( 0.1000000 0.0577350 0.5532359), wk = 0.0033557 k( 141) = ( 0.1142857 0.0659829 0.5532359), wk = 0.0033557 k( 142) = ( 0.1285714 0.0742307 0.5532359), wk = 0.0033557 k( 143) = ( 0.1428571 0.0824786 0.5532359), wk = 0.0033557 k( 144) = ( 0.1571429 0.0907265 0.5532359), wk = 0.0033557 k( 145) = ( 0.1714286 0.0989743 0.5532359), wk = 0.0033557 k( 146) = ( 0.1857143 0.1072222 0.5532359), wk = 0.0033557 k( 147) = ( 0.2000000 0.1154701 0.5532359), wk = 0.0033557 k( 148) = ( 0.2142857 0.1237179 0.5532359), wk = 0.0033557 k( 149) = ( 0.2285714 0.1319658 0.5532359), wk = 0.0033557 k( 150) = ( 0.2428571 0.1402136 0.5532359), wk = 0.0033557 k( 151) = ( 0.2571429 0.1484615 0.5532359), wk = 0.0033557 k( 152) = ( 0.2714286 0.1567094 0.5532359), wk = 0.0033557 k( 153) = ( 0.2857143 0.1649572 0.5532359), wk = 0.0033557 k( 154) = ( 0.3000000 0.1732051 0.5532359), wk = 0.0033557 k( 155) = ( 0.3142857 0.1814529 0.5532359), wk = 0.0033557 k( 156) = ( 0.3285714 0.1897008 0.5532359), wk = 0.0033557 k( 157) = ( 0.3428571 0.1979487 0.5532359), wk = 0.0033557 k( 158) = ( 0.3571429 0.2061965 0.5532359), wk = 0.0033557 k( 159) = ( 0.3714286 0.2144444 0.5532359), wk = 0.0033557 k( 160) = ( 0.3857143 0.2226922 0.5532359), wk = 0.0033557 k( 161) = ( 0.4000000 0.2309401 0.5532359), wk = 0.0033557 k( 162) = ( 0.4142857 0.2391880 0.5532359), wk = 0.0033557 k( 163) = ( 0.4285714 0.2474358 0.5532359), wk = 0.0033557 k( 164) = ( 0.4428571 0.2556837 0.5532359), wk = 0.0033557 k( 165) = ( 0.4571429 0.2639316 0.5532359), wk = 0.0033557 k( 166) = ( 0.4714286 0.2721794 0.5532359), wk = 0.0033557 k( 167) = ( 0.4857143 0.2804273 0.5532359), wk = 0.0033557 k( 168) = ( 0.5000000 0.2886751 0.5532359), wk = 0.0033557 k( 169) = ( 0.5000000 0.2886751 0.5532359), wk = 0.0033557 k( 170) = ( 0.4916667 0.3031089 0.5532359), wk = 0.0033557 k( 171) = ( 0.4833333 0.3175426 0.5532359), wk = 0.0033557 k( 172) = ( 0.4750000 0.3319764 0.5532359), wk = 0.0033557 k( 173) = ( 0.4666667 0.3464102 0.5532359), wk = 0.0033557 k( 174) = ( 0.4583333 0.3608439 0.5532359), wk = 0.0033557 k( 175) = ( 0.4500000 0.3752777 0.5532359), wk = 0.0033557 k( 176) = ( 0.4416667 0.3897114 0.5532359), wk = 0.0033557 k( 177) = ( 0.4333333 0.4041452 0.5532359), wk = 0.0033557 k( 178) = ( 0.4250000 0.4185789 0.5532359), wk = 0.0033557 k( 179) = ( 0.4166667 0.4330127 0.5532359), wk = 0.0033557 k( 180) = ( 0.4083333 0.4474465 0.5532359), wk = 0.0033557 k( 181) = ( 0.4000000 0.4618802 0.5532359), wk = 0.0033557 k( 182) = ( 0.3916667 0.4763140 0.5532359), wk = 0.0033557 k( 183) = ( 0.3833333 0.4907477 0.5532359), wk = 0.0033557 k( 184) = ( 0.3750000 0.5051815 0.5532359), wk = 0.0033557 k( 185) = ( 0.3666667 0.5196152 0.5532359), wk = 0.0033557 k( 186) = ( 0.3583333 0.5340490 0.5532359), wk = 0.0033557 k( 187) = ( 0.3500000 0.5484828 0.5532359), wk = 0.0033557 k( 188) = ( 0.3416667 0.5629165 0.5532359), wk = 0.0033557 k( 189) = ( 0.3333333 0.5773503 0.5532359), wk = 0.0033557 k( 190) = ( 0.3333333 0.5773503 0.5532359), wk = 0.0033557 k( 191) = ( 0.3250000 0.5629165 0.5532359), wk = 0.0033557 k( 192) = ( 0.3166667 0.5484828 0.5532359), wk = 0.0033557 k( 193) = ( 0.3083333 0.5340490 0.5532359), wk = 0.0033557 k( 194) = ( 0.3000000 0.5196152 0.5532359), wk = 0.0033557 k( 195) = ( 0.2916667 0.5051815 0.5532359), wk = 0.0033557 k( 196) = ( 0.2833333 0.4907477 0.5532359), wk = 0.0033557 k( 197) = ( 0.2750000 0.4763140 0.5532359), wk = 0.0033557 k( 198) = ( 0.2666667 0.4618802 0.5532359), wk = 0.0033557 k( 199) = ( 0.2583333 0.4474465 0.5532359), wk = 0.0033557 k( 200) = ( 0.2500000 0.4330127 0.5532359), wk = 0.0033557 k( 201) = ( 0.2416667 0.4185790 0.5532359), wk = 0.0033557 k( 202) = ( 0.2333333 0.4041452 0.5532359), wk = 0.0033557 k( 203) = ( 0.2250000 0.3897114 0.5532359), wk = 0.0033557 k( 204) = ( 0.2166667 0.3752777 0.5532359), wk = 0.0033557 k( 205) = ( 0.2083333 0.3608439 0.5532359), wk = 0.0033557 k( 206) = ( 0.2000000 0.3464102 0.5532359), wk = 0.0033557 k( 207) = ( 0.1916667 0.3319764 0.5532359), wk = 0.0033557 k( 208) = ( 0.1833333 0.3175426 0.5532359), wk = 0.0033557 k( 209) = ( 0.1750000 0.3031089 0.5532359), wk = 0.0033557 k( 210) = ( 0.1666667 0.2886751 0.5532359), wk = 0.0033557 k( 211) = ( 0.1583333 0.2742414 0.5532359), wk = 0.0033557 k( 212) = ( 0.1500000 0.2598076 0.5532359), wk = 0.0033557 k( 213) = ( 0.1416667 0.2453739 0.5532359), wk = 0.0033557 k( 214) = ( 0.1333333 0.2309401 0.5532359), wk = 0.0033557 k( 215) = ( 0.1250000 0.2165064 0.5532359), wk = 0.0033557 k( 216) = ( 0.1166667 0.2020726 0.5532359), wk = 0.0033557 k( 217) = ( 0.1083333 0.1876388 0.5532359), wk = 0.0033557 k( 218) = ( 0.1000000 0.1732051 0.5532359), wk = 0.0033557 k( 219) = ( 0.0916667 0.1587713 0.5532359), wk = 0.0033557 k( 220) = ( 0.0833333 0.1443376 0.5532359), wk = 0.0033557 k( 221) = ( 0.0750000 0.1299038 0.5532359), wk = 0.0033557 k( 222) = ( 0.0666667 0.1154701 0.5532359), wk = 0.0033557 k( 223) = ( 0.0583333 0.1010363 0.5532359), wk = 0.0033557 k( 224) = ( 0.0500000 0.0866025 0.5532359), wk = 0.0033557 k( 225) = ( 0.0416667 0.0721688 0.5532359), wk = 0.0033557 k( 226) = ( 0.0333333 0.0577350 0.5532359), wk = 0.0033557 k( 227) = ( 0.0250000 0.0433013 0.5532359), wk = 0.0033557 k( 228) = ( 0.0166667 0.0288675 0.5532359), wk = 0.0033557 k( 229) = ( 0.0083333 0.0144338 0.5532359), wk = 0.0033557 k( 230) = ( 0.0000000 0.0000000 0.5532359), wk = 0.0033557 k( 231) = ( 0.5000000 0.2886751 0.5532359), wk = 0.0033557 k( 232) = ( 0.5000000 0.2886751 0.5364712), wk = 0.0033557 k( 233) = ( 0.5000000 0.2886751 0.5197065), wk = 0.0033557 k( 234) = ( 0.5000000 0.2886751 0.5029417), wk = 0.0033557 k( 235) = ( 0.5000000 0.2886751 0.4861770), wk = 0.0033557 k( 236) = ( 0.5000000 0.2886751 0.4694123), wk = 0.0033557 k( 237) = ( 0.5000000 0.2886751 0.4526476), wk = 0.0033557 k( 238) = ( 0.5000000 0.2886751 0.4358828), wk = 0.0033557 k( 239) = ( 0.5000000 0.2886751 0.4191181), wk = 0.0033557 k( 240) = ( 0.5000000 0.2886751 0.4023534), wk = 0.0033557 k( 241) = ( 0.5000000 0.2886751 0.3855887), wk = 0.0033557 k( 242) = ( 0.5000000 0.2886751 0.3688239), wk = 0.0033557 k( 243) = ( 0.5000000 0.2886751 0.3520592), wk = 0.0033557 k( 244) = ( 0.5000000 0.2886751 0.3352945), wk = 0.0033557 k( 245) = ( 0.5000000 0.2886751 0.3185298), wk = 0.0033557 k( 246) = ( 0.5000000 0.2886751 0.3017650), wk = 0.0033557 k( 247) = ( 0.5000000 0.2886751 0.2850003), wk = 0.0033557 k( 248) = ( 0.5000000 0.2886751 0.2682356), wk = 0.0033557 k( 249) = ( 0.5000000 0.2886751 0.2514709), wk = 0.0033557 k( 250) = ( 0.5000000 0.2886751 0.2347061), wk = 0.0033557 k( 251) = ( 0.5000000 0.2886751 0.2179414), wk = 0.0033557 k( 252) = ( 0.5000000 0.2886751 0.2011767), wk = 0.0033557 k( 253) = ( 0.5000000 0.2886751 0.1844120), wk = 0.0033557 k( 254) = ( 0.5000000 0.2886751 0.1676472), wk = 0.0033557 k( 255) = ( 0.5000000 0.2886751 0.1508825), wk = 0.0033557 k( 256) = ( 0.5000000 0.2886751 0.1341178), wk = 0.0033557 k( 257) = ( 0.5000000 0.2886751 0.1173531), wk = 0.0033557 k( 258) = ( 0.5000000 0.2886751 0.1005883), wk = 0.0033557 k( 259) = ( 0.5000000 0.2886751 0.0838236), wk = 0.0033557 k( 260) = ( 0.5000000 0.2886751 0.0670589), wk = 0.0033557 k( 261) = ( 0.5000000 0.2886751 0.0502942), wk = 0.0033557 k( 262) = ( 0.5000000 0.2886751 0.0335294), wk = 0.0033557 k( 263) = ( 0.5000000 0.2886751 0.0167647), wk = 0.0033557 k( 264) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033557 k( 265) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033557 k( 266) = ( 0.3333333 0.5773503 0.0167647), wk = 0.0033557 k( 267) = ( 0.3333333 0.5773503 0.0335294), wk = 0.0033557 k( 268) = ( 0.3333333 0.5773503 0.0502942), wk = 0.0033557 k( 269) = ( 0.3333333 0.5773503 0.0670589), wk = 0.0033557 k( 270) = ( 0.3333333 0.5773503 0.0838236), wk = 0.0033557 k( 271) = ( 0.3333333 0.5773503 0.1005883), wk = 0.0033557 k( 272) = ( 0.3333333 0.5773503 0.1173531), wk = 0.0033557 k( 273) = ( 0.3333333 0.5773503 0.1341178), wk = 0.0033557 k( 274) = ( 0.3333333 0.5773503 0.1508825), wk = 0.0033557 k( 275) = ( 0.3333333 0.5773503 0.1676472), wk = 0.0033557 k( 276) = ( 0.3333333 0.5773503 0.1844120), wk = 0.0033557 k( 277) = ( 0.3333333 0.5773503 0.2011767), wk = 0.0033557 k( 278) = ( 0.3333333 0.5773503 0.2179414), wk = 0.0033557 k( 279) = ( 0.3333333 0.5773503 0.2347061), wk = 0.0033557 k( 280) = ( 0.3333333 0.5773503 0.2514709), wk = 0.0033557 k( 281) = ( 0.3333333 0.5773503 0.2682356), wk = 0.0033557 k( 282) = ( 0.3333333 0.5773503 0.2850003), wk = 0.0033557 k( 283) = ( 0.3333333 0.5773503 0.3017650), wk = 0.0033557 k( 284) = ( 0.3333333 0.5773503 0.3185298), wk = 0.0033557 k( 285) = ( 0.3333333 0.5773503 0.3352945), wk = 0.0033557 k( 286) = ( 0.3333333 0.5773503 0.3520592), wk = 0.0033557 k( 287) = ( 0.3333333 0.5773503 0.3688239), wk = 0.0033557 k( 288) = ( 0.3333333 0.5773503 0.3855887), wk = 0.0033557 k( 289) = ( 0.3333333 0.5773503 0.4023534), wk = 0.0033557 k( 290) = ( 0.3333333 0.5773503 0.4191181), wk = 0.0033557 k( 291) = ( 0.3333333 0.5773503 0.4358828), wk = 0.0033557 k( 292) = ( 0.3333333 0.5773503 0.4526476), wk = 0.0033557 k( 293) = ( 0.3333333 0.5773503 0.4694123), wk = 0.0033557 k( 294) = ( 0.3333333 0.5773503 0.4861770), wk = 0.0033557 k( 295) = ( 0.3333333 0.5773503 0.5029417), wk = 0.0033557 k( 296) = ( 0.3333333 0.5773503 0.5197065), wk = 0.0033557 k( 297) = ( 0.3333333 0.5773503 0.5364712), wk = 0.0033557 k( 298) = ( 0.3333333 0.5773503 0.5532359), wk = 0.0033557 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557 k( 2) = ( 0.0142857 0.0000000 -0.0000000), wk = 0.0033557 k( 3) = ( 0.0285714 0.0000000 0.0000000), wk = 0.0033557 k( 4) = ( 0.0428571 0.0000000 0.0000000), wk = 0.0033557 k( 5) = ( 0.0571429 0.0000000 0.0000000), wk = 0.0033557 k( 6) = ( 0.0714286 -0.0000000 0.0000000), wk = 0.0033557 k( 7) = ( 0.0857143 0.0000000 0.0000000), wk = 0.0033557 k( 8) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0033557 k( 9) = ( 0.1142857 0.0000000 0.0000000), wk = 0.0033557 k( 10) = ( 0.1285714 -0.0000000 0.0000000), wk = 0.0033557 k( 11) = ( 0.1428571 -0.0000000 0.0000000), wk = 0.0033557 k( 12) = ( 0.1571429 0.0000000 0.0000000), wk = 0.0033557 k( 13) = ( 0.1714286 0.0000000 -0.0000000), wk = 0.0033557 k( 14) = ( 0.1857143 0.0000000 0.0000000), wk = 0.0033557 k( 15) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0033557 k( 16) = ( 0.2142857 0.0000000 0.0000000), wk = 0.0033557 k( 17) = ( 0.2285714 0.0000000 0.0000000), wk = 0.0033557 k( 18) = ( 0.2428571 0.0000000 -0.0000000), wk = 0.0033557 k( 19) = ( 0.2571429 -0.0000000 0.0000000), wk = 0.0033557 k( 20) = ( 0.2714286 0.0000000 0.0000000), wk = 0.0033557 k( 21) = ( 0.2857143 0.0000000 -0.0000000), wk = 0.0033557 k( 22) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0033557 k( 23) = ( 0.3142857 0.0000000 0.0000000), wk = 0.0033557 k( 24) = ( 0.3285714 0.0000000 0.0000000), wk = 0.0033557 k( 25) = ( 0.3428571 0.0000000 -0.0000000), wk = 0.0033557 k( 26) = ( 0.3571429 0.0000000 0.0000000), wk = 0.0033557 k( 27) = ( 0.3714286 0.0000000 0.0000000), wk = 0.0033557 k( 28) = ( 0.3857143 -0.0000000 -0.0000000), wk = 0.0033557 k( 29) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0033557 k( 30) = ( 0.4142857 0.0000000 0.0000000), wk = 0.0033557 k( 31) = ( 0.4285714 0.0000000 -0.0000000), wk = 0.0033557 k( 32) = ( 0.4428571 0.0000000 0.0000000), wk = 0.0033557 k( 33) = ( 0.4571429 0.0000000 0.0000000), wk = 0.0033557 k( 34) = ( 0.4714286 0.0000000 0.0000000), wk = 0.0033557 k( 35) = ( 0.4857143 0.0000000 0.0000000), wk = 0.0033557 k( 36) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033557 k( 37) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033557 k( 38) = ( 0.4916667 0.0166667 0.0000000), wk = 0.0033557 k( 39) = ( 0.4833333 0.0333333 0.0000000), wk = 0.0033557 k( 40) = ( 0.4750000 0.0500000 0.0000000), wk = 0.0033557 k( 41) = ( 0.4666667 0.0666667 0.0000000), wk = 0.0033557 k( 42) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0033557 k( 43) = ( 0.4500000 0.1000000 0.0000000), wk = 0.0033557 k( 44) = ( 0.4416667 0.1166667 0.0000000), wk = 0.0033557 k( 45) = ( 0.4333333 0.1333333 0.0000000), wk = 0.0033557 k( 46) = ( 0.4250000 0.1500000 0.0000000), wk = 0.0033557 k( 47) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0033557 k( 48) = ( 0.4083333 0.1833333 0.0000000), wk = 0.0033557 k( 49) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0033557 k( 50) = ( 0.3916667 0.2166667 0.0000000), wk = 0.0033557 k( 51) = ( 0.3833333 0.2333333 0.0000000), wk = 0.0033557 k( 52) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0033557 k( 53) = ( 0.3666667 0.2666667 -0.0000000), wk = 0.0033557 k( 54) = ( 0.3583333 0.2833333 -0.0000000), wk = 0.0033557 k( 55) = ( 0.3500000 0.3000000 0.0000000), wk = 0.0033557 k( 56) = ( 0.3416667 0.3166667 -0.0000000), wk = 0.0033557 k( 57) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033557 k( 58) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033557 k( 59) = ( 0.3250000 0.3250000 0.0000000), wk = 0.0033557 k( 60) = ( 0.3166667 0.3166667 -0.0000000), wk = 0.0033557 k( 61) = ( 0.3083333 0.3083333 0.0000000), wk = 0.0033557 k( 62) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0033557 k( 63) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0033557 k( 64) = ( 0.2833333 0.2833333 0.0000000), wk = 0.0033557 k( 65) = ( 0.2750000 0.2750000 -0.0000000), wk = 0.0033557 k( 66) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0033557 k( 67) = ( 0.2583333 0.2583333 -0.0000000), wk = 0.0033557 k( 68) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0033557 k( 69) = ( 0.2416667 0.2416667 0.0000000), wk = 0.0033557 k( 70) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0033557 k( 71) = ( 0.2250000 0.2250000 0.0000000), wk = 0.0033557 k( 72) = ( 0.2166667 0.2166667 0.0000000), wk = 0.0033557 k( 73) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0033557 k( 74) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0033557 k( 75) = ( 0.1916667 0.1916667 -0.0000000), wk = 0.0033557 k( 76) = ( 0.1833333 0.1833333 0.0000000), wk = 0.0033557 k( 77) = ( 0.1750000 0.1750000 0.0000000), wk = 0.0033557 k( 78) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0033557 k( 79) = ( 0.1583333 0.1583333 0.0000000), wk = 0.0033557 k( 80) = ( 0.1500000 0.1500000 0.0000000), wk = 0.0033557 k( 81) = ( 0.1416667 0.1416667 -0.0000000), wk = 0.0033557 k( 82) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0033557 k( 83) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0033557 k( 84) = ( 0.1166667 0.1166667 0.0000000), wk = 0.0033557 k( 85) = ( 0.1083333 0.1083333 -0.0000000), wk = 0.0033557 k( 86) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0033557 k( 87) = ( 0.0916667 0.0916667 0.0000000), wk = 0.0033557 k( 88) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0033557 k( 89) = ( 0.0750000 0.0750000 0.0000000), wk = 0.0033557 k( 90) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0033557 k( 91) = ( 0.0583333 0.0583333 0.0000000), wk = 0.0033557 k( 92) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0033557 k( 93) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0033557 k( 94) = ( 0.0333333 0.0333333 -0.0000000), wk = 0.0033557 k( 95) = ( 0.0250000 0.0250000 -0.0000000), wk = 0.0033557 k( 96) = ( 0.0166667 0.0166667 0.0000000), wk = 0.0033557 k( 97) = ( 0.0083333 0.0083333 0.0000000), wk = 0.0033557 k( 98) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557 k( 100) = ( 0.0000000 0.0000000 0.0151515), wk = 0.0033557 k( 101) = ( 0.0000000 0.0000000 0.0303030), wk = 0.0033557 k( 102) = ( 0.0000000 0.0000000 0.0454545), wk = 0.0033557 k( 103) = ( 0.0000000 0.0000000 0.0606061), wk = 0.0033557 k( 104) = ( 0.0000000 0.0000000 0.0757576), wk = 0.0033557 k( 105) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0033557 k( 106) = ( 0.0000000 0.0000000 0.1060606), wk = 0.0033557 k( 107) = ( 0.0000000 0.0000000 0.1212121), wk = 0.0033557 k( 108) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0033557 k( 109) = ( 0.0000000 0.0000000 0.1515151), wk = 0.0033557 k( 110) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0033557 k( 111) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0033557 k( 112) = ( 0.0000000 0.0000000 0.1969697), wk = 0.0033557 k( 113) = ( 0.0000000 0.0000000 0.2121212), wk = 0.0033557 k( 114) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0033557 k( 115) = ( 0.0000000 0.0000000 0.2424242), wk = 0.0033557 k( 116) = ( 0.0000000 0.0000000 0.2575758), wk = 0.0033557 k( 117) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0033557 k( 118) = ( 0.0000000 0.0000000 0.2878788), wk = 0.0033557 k( 119) = ( 0.0000000 0.0000000 0.3030303), wk = 0.0033557 k( 120) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0033557 k( 121) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0033557 k( 122) = ( 0.0000000 0.0000000 0.3484848), wk = 0.0033557 k( 123) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0033557 k( 124) = ( 0.0000000 0.0000000 0.3787879), wk = 0.0033557 k( 125) = ( 0.0000000 0.0000000 0.3939394), wk = 0.0033557 k( 126) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0033557 k( 127) = ( 0.0000000 0.0000000 0.4242424), wk = 0.0033557 k( 128) = ( 0.0000000 0.0000000 0.4393939), wk = 0.0033557 k( 129) = ( 0.0000000 0.0000000 0.4545454), wk = 0.0033557 k( 130) = ( 0.0000000 0.0000000 0.4696970), wk = 0.0033557 k( 131) = ( 0.0000000 0.0000000 0.4848485), wk = 0.0033557 k( 132) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033557 k( 133) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033557 k( 134) = ( 0.0142857 0.0000000 0.5000000), wk = 0.0033557 k( 135) = ( 0.0285714 0.0000000 0.5000000), wk = 0.0033557 k( 136) = ( 0.0428571 0.0000000 0.5000000), wk = 0.0033557 k( 137) = ( 0.0571429 0.0000000 0.5000000), wk = 0.0033557 k( 138) = ( 0.0714286 -0.0000000 0.5000000), wk = 0.0033557 k( 139) = ( 0.0857143 0.0000000 0.5000000), wk = 0.0033557 k( 140) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0033557 k( 141) = ( 0.1142857 0.0000000 0.5000000), wk = 0.0033557 k( 142) = ( 0.1285714 -0.0000000 0.5000000), wk = 0.0033557 k( 143) = ( 0.1428571 -0.0000000 0.5000000), wk = 0.0033557 k( 144) = ( 0.1571429 0.0000000 0.5000000), wk = 0.0033557 k( 145) = ( 0.1714286 0.0000000 0.5000000), wk = 0.0033557 k( 146) = ( 0.1857143 0.0000000 0.5000000), wk = 0.0033557 k( 147) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0033557 k( 148) = ( 0.2142857 0.0000000 0.5000000), wk = 0.0033557 k( 149) = ( 0.2285714 0.0000000 0.5000000), wk = 0.0033557 k( 150) = ( 0.2428571 0.0000000 0.5000000), wk = 0.0033557 k( 151) = ( 0.2571429 -0.0000000 0.5000000), wk = 0.0033557 k( 152) = ( 0.2714286 0.0000000 0.5000000), wk = 0.0033557 k( 153) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0033557 k( 154) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0033557 k( 155) = ( 0.3142857 0.0000000 0.5000000), wk = 0.0033557 k( 156) = ( 0.3285714 0.0000000 0.5000000), wk = 0.0033557 k( 157) = ( 0.3428571 0.0000000 0.5000000), wk = 0.0033557 k( 158) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0033557 k( 159) = ( 0.3714286 0.0000000 0.5000000), wk = 0.0033557 k( 160) = ( 0.3857143 -0.0000000 0.5000000), wk = 0.0033557 k( 161) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0033557 k( 162) = ( 0.4142857 0.0000000 0.5000000), wk = 0.0033557 k( 163) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0033557 k( 164) = ( 0.4428571 0.0000000 0.5000000), wk = 0.0033557 k( 165) = ( 0.4571429 0.0000000 0.5000000), wk = 0.0033557 k( 166) = ( 0.4714286 0.0000000 0.5000000), wk = 0.0033557 k( 167) = ( 0.4857143 0.0000000 0.5000000), wk = 0.0033557 k( 168) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033557 k( 169) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033557 k( 170) = ( 0.4916667 0.0166667 0.5000000), wk = 0.0033557 k( 171) = ( 0.4833333 0.0333333 0.5000000), wk = 0.0033557 k( 172) = ( 0.4750000 0.0500000 0.5000000), wk = 0.0033557 k( 173) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0033557 k( 174) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0033557 k( 175) = ( 0.4500000 0.1000000 0.5000000), wk = 0.0033557 k( 176) = ( 0.4416667 0.1166667 0.5000000), wk = 0.0033557 k( 177) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0033557 k( 178) = ( 0.4250000 0.1500000 0.5000000), wk = 0.0033557 k( 179) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0033557 k( 180) = ( 0.4083333 0.1833333 0.5000000), wk = 0.0033557 k( 181) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0033557 k( 182) = ( 0.3916667 0.2166667 0.5000000), wk = 0.0033557 k( 183) = ( 0.3833333 0.2333333 0.5000000), wk = 0.0033557 k( 184) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0033557 k( 185) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0033557 k( 186) = ( 0.3583333 0.2833333 0.5000000), wk = 0.0033557 k( 187) = ( 0.3500000 0.3000000 0.5000000), wk = 0.0033557 k( 188) = ( 0.3416667 0.3166667 0.5000000), wk = 0.0033557 k( 189) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033557 k( 190) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033557 k( 191) = ( 0.3250000 0.3250000 0.5000000), wk = 0.0033557 k( 192) = ( 0.3166667 0.3166667 0.5000000), wk = 0.0033557 k( 193) = ( 0.3083333 0.3083333 0.5000000), wk = 0.0033557 k( 194) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0033557 k( 195) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0033557 k( 196) = ( 0.2833333 0.2833333 0.5000000), wk = 0.0033557 k( 197) = ( 0.2750000 0.2750000 0.5000000), wk = 0.0033557 k( 198) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0033557 k( 199) = ( 0.2583333 0.2583333 0.5000000), wk = 0.0033557 k( 200) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0033557 k( 201) = ( 0.2416667 0.2416667 0.5000000), wk = 0.0033557 k( 202) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0033557 k( 203) = ( 0.2250000 0.2250000 0.5000000), wk = 0.0033557 k( 204) = ( 0.2166667 0.2166667 0.5000000), wk = 0.0033557 k( 205) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0033557 k( 206) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0033557 k( 207) = ( 0.1916667 0.1916667 0.5000000), wk = 0.0033557 k( 208) = ( 0.1833333 0.1833333 0.5000000), wk = 0.0033557 k( 209) = ( 0.1750000 0.1750000 0.5000000), wk = 0.0033557 k( 210) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0033557 k( 211) = ( 0.1583333 0.1583333 0.5000000), wk = 0.0033557 k( 212) = ( 0.1500000 0.1500000 0.5000000), wk = 0.0033557 k( 213) = ( 0.1416667 0.1416667 0.5000000), wk = 0.0033557 k( 214) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0033557 k( 215) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0033557 k( 216) = ( 0.1166667 0.1166667 0.5000000), wk = 0.0033557 k( 217) = ( 0.1083333 0.1083333 0.5000000), wk = 0.0033557 k( 218) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0033557 k( 219) = ( 0.0916667 0.0916667 0.5000000), wk = 0.0033557 k( 220) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0033557 k( 221) = ( 0.0750000 0.0750000 0.5000000), wk = 0.0033557 k( 222) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0033557 k( 223) = ( 0.0583333 0.0583333 0.5000000), wk = 0.0033557 k( 224) = ( 0.0500000 0.0500000 0.5000000), wk = 0.0033557 k( 225) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0033557 k( 226) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0033557 k( 227) = ( 0.0250000 0.0250000 0.5000000), wk = 0.0033557 k( 228) = ( 0.0166667 0.0166667 0.5000000), wk = 0.0033557 k( 229) = ( 0.0083333 0.0083333 0.5000000), wk = 0.0033557 k( 230) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033557 k( 231) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033557 k( 232) = ( 0.5000000 0.0000000 0.4848485), wk = 0.0033557 k( 233) = ( 0.5000000 0.0000000 0.4696970), wk = 0.0033557 k( 234) = ( 0.5000000 0.0000000 0.4545454), wk = 0.0033557 k( 235) = ( 0.5000000 0.0000000 0.4393939), wk = 0.0033557 k( 236) = ( 0.5000000 0.0000000 0.4242424), wk = 0.0033557 k( 237) = ( 0.5000000 0.0000000 0.4090909), wk = 0.0033557 k( 238) = ( 0.5000000 0.0000000 0.3939394), wk = 0.0033557 k( 239) = ( 0.5000000 0.0000000 0.3787879), wk = 0.0033557 k( 240) = ( 0.5000000 0.0000000 0.3636364), wk = 0.0033557 k( 241) = ( 0.5000000 0.0000000 0.3484849), wk = 0.0033557 k( 242) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0033557 k( 243) = ( 0.5000000 0.0000000 0.3181818), wk = 0.0033557 k( 244) = ( 0.5000000 0.0000000 0.3030303), wk = 0.0033557 k( 245) = ( 0.5000000 0.0000000 0.2878788), wk = 0.0033557 k( 246) = ( 0.5000000 0.0000000 0.2727273), wk = 0.0033557 k( 247) = ( 0.5000000 0.0000000 0.2575758), wk = 0.0033557 k( 248) = ( 0.5000000 0.0000000 0.2424242), wk = 0.0033557 k( 249) = ( 0.5000000 0.0000000 0.2272727), wk = 0.0033557 k( 250) = ( 0.5000000 0.0000000 0.2121212), wk = 0.0033557 k( 251) = ( 0.5000000 0.0000000 0.1969697), wk = 0.0033557 k( 252) = ( 0.5000000 0.0000000 0.1818182), wk = 0.0033557 k( 253) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0033557 k( 254) = ( 0.5000000 0.0000000 0.1515151), wk = 0.0033557 k( 255) = ( 0.5000000 0.0000000 0.1363636), wk = 0.0033557 k( 256) = ( 0.5000000 0.0000000 0.1212121), wk = 0.0033557 k( 257) = ( 0.5000000 0.0000000 0.1060606), wk = 0.0033557 k( 258) = ( 0.5000000 0.0000000 0.0909091), wk = 0.0033557 k( 259) = ( 0.5000000 0.0000000 0.0757576), wk = 0.0033557 k( 260) = ( 0.5000000 0.0000000 0.0606061), wk = 0.0033557 k( 261) = ( 0.5000000 0.0000000 0.0454546), wk = 0.0033557 k( 262) = ( 0.5000000 0.0000000 0.0303030), wk = 0.0033557 k( 263) = ( 0.5000000 0.0000000 0.0151515), wk = 0.0033557 k( 264) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033557 k( 265) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033557 k( 266) = ( 0.3333333 0.3333333 0.0151515), wk = 0.0033557 k( 267) = ( 0.3333333 0.3333333 0.0303030), wk = 0.0033557 k( 268) = ( 0.3333333 0.3333333 0.0454545), wk = 0.0033557 k( 269) = ( 0.3333333 0.3333333 0.0606061), wk = 0.0033557 k( 270) = ( 0.3333333 0.3333333 0.0757576), wk = 0.0033557 k( 271) = ( 0.3333333 0.3333333 0.0909091), wk = 0.0033557 k( 272) = ( 0.3333333 0.3333333 0.1060606), wk = 0.0033557 k( 273) = ( 0.3333333 0.3333333 0.1212121), wk = 0.0033557 k( 274) = ( 0.3333333 0.3333333 0.1363636), wk = 0.0033557 k( 275) = ( 0.3333333 0.3333333 0.1515151), wk = 0.0033557 k( 276) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0033557 k( 277) = ( 0.3333333 0.3333333 0.1818182), wk = 0.0033557 k( 278) = ( 0.3333333 0.3333333 0.1969697), wk = 0.0033557 k( 279) = ( 0.3333333 0.3333333 0.2121212), wk = 0.0033557 k( 280) = ( 0.3333333 0.3333333 0.2272727), wk = 0.0033557 k( 281) = ( 0.3333333 0.3333333 0.2424242), wk = 0.0033557 k( 282) = ( 0.3333333 0.3333333 0.2575758), wk = 0.0033557 k( 283) = ( 0.3333333 0.3333333 0.2727273), wk = 0.0033557 k( 284) = ( 0.3333333 0.3333333 0.2878788), wk = 0.0033557 k( 285) = ( 0.3333333 0.3333333 0.3030303), wk = 0.0033557 k( 286) = ( 0.3333333 0.3333333 0.3181818), wk = 0.0033557 k( 287) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0033557 k( 288) = ( 0.3333333 0.3333333 0.3484849), wk = 0.0033557 k( 289) = ( 0.3333333 0.3333333 0.3636364), wk = 0.0033557 k( 290) = ( 0.3333333 0.3333333 0.3787879), wk = 0.0033557 k( 291) = ( 0.3333333 0.3333333 0.3939394), wk = 0.0033557 k( 292) = ( 0.3333333 0.3333333 0.4090909), wk = 0.0033557 k( 293) = ( 0.3333333 0.3333333 0.4242424), wk = 0.0033557 k( 294) = ( 0.3333333 0.3333333 0.4393939), wk = 0.0033557 k( 295) = ( 0.3333333 0.3333333 0.4545455), wk = 0.0033557 k( 296) = ( 0.3333333 0.3333333 0.4696970), wk = 0.0033557 k( 297) = ( 0.3333333 0.3333333 0.4848485), wk = 0.0033557 k( 298) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033557 Dense grid: 78473 G-vectors FFT dimensions: ( 60, 60, 54) Smooth grid: 37577 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.24 Mb ( 276, 58) NL pseudopotentials 0.29 Mb ( 138, 138) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2183) G-vector shells 0.01 Mb ( 920) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.98 Mb ( 276, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.24 Mb ( 138, 2, 58) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./RbSrCO3F.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.2 secs Computing kpt #: 2 total cpu time spent up to now is 5.3 secs Computing kpt #: 3 total cpu time spent up to now is 6.2 secs Computing kpt #: 4 total cpu time spent up to now is 7.2 secs Computing kpt #: 5 total cpu time spent up to now is 8.1 secs Computing kpt #: 6 total cpu time spent up to now is 8.9 secs Computing kpt #: 7 total cpu time spent up to now is 9.8 secs Computing kpt #: 8 total cpu time spent up to now is 10.5 secs Computing kpt #: 9 total cpu time spent up to now is 11.5 secs Computing kpt #: 10 total cpu time spent up to now is 12.4 secs Computing kpt #: 11 total cpu time spent up to now is 13.3 secs Computing kpt #: 12 total cpu time spent up to now is 14.2 secs Computing kpt #: 13 total cpu time spent up to now is 14.9 secs Computing kpt #: 14 total cpu time spent up to now is 15.7 secs Computing kpt #: 15 total cpu time spent up to now is 16.6 secs Computing kpt #: 16 total cpu time spent up to now is 17.3 secs Computing kpt #: 17 total cpu time spent up to now is 18.1 secs Computing kpt #: 18 total cpu time spent up to now is 18.8 secs Computing kpt #: 19 total cpu time spent up to now is 19.7 secs Computing kpt #: 20 total cpu time spent up to now is 20.5 secs Computing kpt #: 21 total cpu time spent up to now is 21.3 secs Computing kpt #: 22 total cpu time spent up to now is 22.2 secs Computing kpt #: 23 total cpu time spent up to now is 23.0 secs Computing kpt #: 24 total cpu time spent up to now is 23.9 secs Computing kpt #: 25 total cpu time spent up to now is 24.7 secs Computing kpt #: 26 total cpu time spent up to now is 25.6 secs Computing kpt #: 27 total cpu time spent up to now is 26.5 secs Computing kpt #: 28 total cpu time spent up to now is 27.4 secs Computing kpt #: 29 total cpu time spent up to now is 28.2 secs Computing kpt #: 30 total cpu time spent up to now is 29.2 secs Computing kpt #: 31 total cpu time spent up to now is 30.1 secs Computing kpt #: 32 total cpu time spent up to now is 31.0 secs Computing kpt #: 33 total cpu time spent up to now is 31.8 secs Computing kpt #: 34 total cpu time spent up to now is 33.1 secs Computing kpt #: 35 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 35.0 secs Computing kpt #: 36 total cpu time spent up to now is 35.9 secs Computing kpt #: 37 total cpu time spent up to now is 36.7 secs Computing kpt #: 38 total cpu time spent up to now is 37.9 secs Computing kpt #: 39 total cpu time spent up to now is 38.8 secs Computing kpt #: 40 total cpu time spent up to now is 39.7 secs Computing kpt #: 41 total cpu time spent up to now is 40.6 secs Computing kpt #: 42 total cpu time spent up to now is 41.6 secs Computing kpt #: 43 total cpu time spent up to now is 42.5 secs Computing kpt #: 44 total cpu time spent up to now is 43.4 secs Computing kpt #: 45 total cpu time spent up to now is 44.2 secs Computing kpt #: 46 total cpu time spent up to now is 45.1 secs Computing kpt #: 47 total cpu time spent up to now is 46.0 secs Computing kpt #: 48 total cpu time spent up to now is 46.9 secs Computing kpt #: 49 total cpu time spent up to now is 47.8 secs Computing kpt #: 50 total cpu time spent up to now is 48.7 secs Computing kpt #: 51 total cpu time spent up to now is 49.5 secs Computing kpt #: 52 total cpu time spent up to now is 50.4 secs Computing kpt #: 53 total cpu time spent up to now is 51.2 secs Computing kpt #: 54 total cpu time spent up to now is 52.0 secs Computing kpt #: 55 total cpu time spent up to now is 52.9 secs Computing kpt #: 56 total cpu time spent up to now is 53.8 secs Computing kpt #: 57 total cpu time spent up to now is 54.6 secs Computing kpt #: 58 total cpu time spent up to now is 55.3 secs Computing kpt #: 59 total cpu time spent up to now is 56.2 secs Computing kpt #: 60 total cpu time spent up to now is 57.0 secs Computing kpt #: 61 total cpu time spent up to now is 57.8 secs Computing kpt #: 62 total cpu time spent up to now is 58.7 secs Computing kpt #: 63 total cpu time spent up to now is 59.6 secs Computing kpt #: 64 total cpu time spent up to now is 60.4 secs Computing kpt #: 65 total cpu time spent up to now is 61.3 secs Computing kpt #: 66 total cpu time spent up to now is 62.1 secs Computing kpt #: 67 total cpu time spent up to now is 63.0 secs Computing kpt #: 68 total cpu time spent up to now is 63.8 secs Computing kpt #: 69 total cpu time spent up to now is 64.6 secs Computing kpt #: 70 total cpu time spent up to now is 65.4 secs Computing kpt #: 71 total cpu time spent up to now is 66.3 secs Computing kpt #: 72 total cpu time spent up to now is 67.1 secs Computing kpt #: 73 total cpu time spent up to now is 67.9 secs Computing kpt #: 74 total cpu time spent up to now is 68.7 secs Computing kpt #: 75 total cpu time spent up to now is 69.5 secs Computing kpt #: 76 total cpu time spent up to now is 70.4 secs Computing kpt #: 77 total cpu time spent up to now is 71.2 secs Computing kpt #: 78 total cpu time spent up to now is 71.9 secs Computing kpt #: 79 total cpu time spent up to now is 72.8 secs Computing kpt #: 80 total cpu time spent up to now is 73.6 secs Computing kpt #: 81 total cpu time spent up to now is 74.4 secs Computing kpt #: 82 total cpu time spent up to now is 75.1 secs Computing kpt #: 83 total cpu time spent up to now is 76.0 secs Computing kpt #: 84 total cpu time spent up to now is 76.7 secs Computing kpt #: 85 total cpu time spent up to now is 77.5 secs Computing kpt #: 86 total cpu time spent up to now is 78.4 secs Computing kpt #: 87 total cpu time spent up to now is 79.2 secs Computing kpt #: 88 total cpu time spent up to now is 80.0 secs Computing kpt #: 89 total cpu time spent up to now is 80.9 secs Computing kpt #: 90 total cpu time spent up to now is 81.7 secs Computing kpt #: 91 total cpu time spent up to now is 82.5 secs Computing kpt #: 92 total cpu time spent up to now is 83.4 secs Computing kpt #: 93 total cpu time spent up to now is 84.3 secs Computing kpt #: 94 total cpu time spent up to now is 85.1 secs Computing kpt #: 95 total cpu time spent up to now is 86.2 secs Computing kpt #: 96 total cpu time spent up to now is 87.0 secs Computing kpt #: 97 total cpu time spent up to now is 87.9 secs Computing kpt #: 98 total cpu time spent up to now is 88.7 secs Computing kpt #: 99 total cpu time spent up to now is 89.6 secs Computing kpt #: 100 total cpu time spent up to now is 90.5 secs Computing kpt #: 101 total cpu time spent up to now is 91.4 secs Computing kpt #: 102 total cpu time spent up to now is 92.4 secs Computing kpt #: 103 total cpu time spent up to now is 93.2 secs Computing kpt #: 104 total cpu time spent up to now is 94.1 secs Computing kpt #: 105 total cpu time spent up to now is 94.9 secs Computing kpt #: 106 total cpu time spent up to now is 95.8 secs Computing kpt #: 107 total cpu time spent up to now is 96.7 secs Computing kpt #: 108 total cpu time spent up to now is 97.6 secs Computing kpt #: 109 total cpu time spent up to now is 98.5 secs Computing kpt #: 110 total cpu time spent up to now is 99.3 secs Computing kpt #: 111 total cpu time spent up to now is 100.2 secs Computing kpt #: 112 total cpu time spent up to now is 101.1 secs Computing kpt #: 113 total cpu time spent up to now is 102.0 secs Computing kpt #: 114 total cpu time spent up to now is 102.8 secs Computing kpt #: 115 total cpu time spent up to now is 103.7 secs Computing kpt #: 116 total cpu time spent up to now is 104.5 secs Computing kpt #: 117 total cpu time spent up to now is 105.4 secs Computing kpt #: 118 total cpu time spent up to now is 106.2 secs Computing kpt #: 119 total cpu time spent up to now is 107.0 secs Computing kpt #: 120 total cpu time spent up to now is 107.9 secs Computing kpt #: 121 total cpu time spent up to now is 108.7 secs Computing kpt #: 122 total cpu time spent up to now is 109.5 secs Computing kpt #: 123 total cpu time spent up to now is 110.4 secs Computing kpt #: 124 total cpu time spent up to now is 111.2 secs Computing kpt #: 125 total cpu time spent up to now is 112.0 secs Computing kpt #: 126 total cpu time spent up to now is 112.8 secs Computing kpt #: 127 total cpu time spent up to now is 113.6 secs Computing kpt #: 128 total cpu time spent up to now is 114.4 secs Computing kpt #: 129 total cpu time spent up to now is 115.2 secs Computing kpt #: 130 total cpu time spent up to now is 116.0 secs Computing kpt #: 131 total cpu time spent up to now is 116.8 secs Computing kpt #: 132 total cpu time spent up to now is 117.6 secs Computing kpt #: 133 total cpu time spent up to now is 118.4 secs Computing kpt #: 134 total cpu time spent up to now is 119.2 secs Computing kpt #: 135 total cpu time spent up to now is 120.0 secs Computing kpt #: 136 total cpu time spent up to now is 120.8 secs Computing kpt #: 137 total cpu time spent up to now is 121.6 secs Computing kpt #: 138 total cpu time spent up to now is 122.4 secs Computing kpt #: 139 total cpu time spent up to now is 123.1 secs Computing kpt #: 140 total cpu time spent up to now is 123.9 secs Computing kpt #: 141 total cpu time spent up to now is 124.6 secs Computing kpt #: 142 total cpu time spent up to now is 125.4 secs Computing kpt #: 143 total cpu time spent up to now is 126.1 secs Computing kpt #: 144 total cpu time spent up to now is 126.9 secs Computing kpt #: 145 total cpu time spent up to now is 127.6 secs Computing kpt #: 146 total cpu time spent up to now is 128.4 secs Computing kpt #: 147 total cpu time spent up to now is 129.1 secs Computing kpt #: 148 total cpu time spent up to now is 129.8 secs Computing kpt #: 149 total cpu time spent up to now is 130.5 secs Computing kpt #: 150 total cpu time spent up to now is 131.2 secs Computing kpt #: 151 total cpu time spent up to now is 132.0 secs Computing kpt #: 152 total cpu time spent up to now is 132.7 secs Computing kpt #: 153 total cpu time spent up to now is 133.5 secs Computing kpt #: 154 total cpu time spent up to now is 134.3 secs Computing kpt #: 155 total cpu time spent up to now is 135.0 secs Computing kpt #: 156 total cpu time spent up to now is 135.7 secs Computing kpt #: 157 total cpu time spent up to now is 136.5 secs Computing kpt #: 158 total cpu time spent up to now is 137.2 secs Computing kpt #: 159 total cpu time spent up to now is 138.2 secs Computing kpt #: 160 total cpu time spent up to now is 139.1 secs Computing kpt #: 161 total cpu time spent up to now is 139.9 secs Computing kpt #: 162 total cpu time spent up to now is 140.7 secs Computing kpt #: 163 total cpu time spent up to now is 141.5 secs Computing kpt #: 164 total cpu time spent up to now is 142.2 secs Computing kpt #: 165 total cpu time spent up to now is 142.9 secs Computing kpt #: 166 total cpu time spent up to now is 143.7 secs Computing kpt #: 167 total cpu time spent up to now is 144.4 secs Computing kpt #: 168 total cpu time spent up to now is 145.1 secs Computing kpt #: 169 total cpu time spent up to now is 145.9 secs Computing kpt #: 170 total cpu time spent up to now is 146.7 secs Computing kpt #: 171 total cpu time spent up to now is 147.4 secs Computing kpt #: 172 total cpu time spent up to now is 148.1 secs Computing kpt #: 173 total cpu time spent up to now is 148.9 secs Computing kpt #: 174 total cpu time spent up to now is 149.6 secs Computing kpt #: 175 total cpu time spent up to now is 150.3 secs Computing kpt #: 176 total cpu time spent up to now is 151.0 secs Computing kpt #: 177 total cpu time spent up to now is 151.8 secs Computing kpt #: 178 total cpu time spent up to now is 152.5 secs Computing kpt #: 179 total cpu time spent up to now is 153.3 secs Computing kpt #: 180 total cpu time spent up to now is 154.0 secs Computing kpt #: 181 total cpu time spent up to now is 154.8 secs Computing kpt #: 182 total cpu time spent up to now is 155.5 secs Computing kpt #: 183 total cpu time spent up to now is 156.2 secs Computing kpt #: 184 total cpu time spent up to now is 156.9 secs Computing kpt #: 185 total cpu time spent up to now is 157.7 secs Computing kpt #: 186 total cpu time spent up to now is 158.4 secs Computing kpt #: 187 total cpu time spent up to now is 159.1 secs Computing kpt #: 188 total cpu time spent up to now is 159.8 secs Computing kpt #: 189 total cpu time spent up to now is 160.6 secs Computing kpt #: 190 total cpu time spent up to now is 161.3 secs Computing kpt #: 191 total cpu time spent up to now is 162.0 secs Computing kpt #: 192 total cpu time spent up to now is 162.7 secs Computing kpt #: 193 total cpu time spent up to now is 163.5 secs Computing kpt #: 194 total cpu time spent up to now is 164.3 secs Computing kpt #: 195 total cpu time spent up to now is 165.0 secs Computing kpt #: 196 total cpu time spent up to now is 165.7 secs Computing kpt #: 197 total cpu time spent up to now is 166.5 secs Computing kpt #: 198 total cpu time spent up to now is 167.2 secs Computing kpt #: 199 total cpu time spent up to now is 167.9 secs Computing kpt #: 200 total cpu time spent up to now is 168.6 secs Computing kpt #: 201 total cpu time spent up to now is 169.3 secs Computing kpt #: 202 total cpu time spent up to now is 170.0 secs Computing kpt #: 203 total cpu time spent up to now is 170.7 secs Computing kpt #: 204 total cpu time spent up to now is 171.5 secs Computing kpt #: 205 total cpu time spent up to now is 172.3 secs Computing kpt #: 206 total cpu time spent up to now is 173.0 secs Computing kpt #: 207 total cpu time spent up to now is 173.7 secs Computing kpt #: 208 total cpu time spent up to now is 174.4 secs Computing kpt #: 209 total cpu time spent up to now is 175.2 secs Computing kpt #: 210 total cpu time spent up to now is 175.9 secs Computing kpt #: 211 total cpu time spent up to now is 176.7 secs Computing kpt #: 212 total cpu time spent up to now is 177.4 secs Computing kpt #: 213 total cpu time spent up to now is 178.1 secs Computing kpt #: 214 total cpu time spent up to now is 178.9 secs Computing kpt #: 215 total cpu time spent up to now is 179.6 secs Computing kpt #: 216 total cpu time spent up to now is 180.3 secs Computing kpt #: 217 total cpu time spent up to now is 181.0 secs Computing kpt #: 218 total cpu time spent up to now is 181.8 secs Computing kpt #: 219 total cpu time spent up to now is 182.5 secs Computing kpt #: 220 total cpu time spent up to now is 183.2 secs Computing kpt #: 221 total cpu time spent up to now is 184.0 secs Computing kpt #: 222 total cpu time spent up to now is 184.7 secs Computing kpt #: 223 total cpu time spent up to now is 185.5 secs Computing kpt #: 224 total cpu time spent up to now is 186.2 secs Computing kpt #: 225 total cpu time spent up to now is 187.0 secs Computing kpt #: 226 total cpu time spent up to now is 187.7 secs Computing kpt #: 227 total cpu time spent up to now is 188.5 secs Computing kpt #: 228 total cpu time spent up to now is 189.3 secs Computing kpt #: 229 total cpu time spent up to now is 190.2 secs Computing kpt #: 230 total cpu time spent up to now is 191.0 secs Computing kpt #: 231 total cpu time spent up to now is 191.7 secs Computing kpt #: 232 total cpu time spent up to now is 192.4 secs Computing kpt #: 233 total cpu time spent up to now is 193.1 secs Computing kpt #: 234 total cpu time spent up to now is 193.9 secs Computing kpt #: 235 total cpu time spent up to now is 194.6 secs Computing kpt #: 236 total cpu time spent up to now is 195.3 secs Computing kpt #: 237 total cpu time spent up to now is 196.1 secs Computing kpt #: 238 total cpu time spent up to now is 197.1 secs Computing kpt #: 239 total cpu time spent up to now is 197.9 secs Computing kpt #: 240 total cpu time spent up to now is 198.7 secs Computing kpt #: 241 total cpu time spent up to now is 199.6 secs Computing kpt #: 242 total cpu time spent up to now is 200.4 secs Computing kpt #: 243 total cpu time spent up to now is 201.3 secs Computing kpt #: 244 total cpu time spent up to now is 202.2 secs Computing kpt #: 245 total cpu time spent up to now is 203.1 secs Computing kpt #: 246 total cpu time spent up to now is 203.9 secs Computing kpt #: 247 total cpu time spent up to now is 204.8 secs Computing kpt #: 248 total cpu time spent up to now is 205.7 secs Computing kpt #: 249 total cpu time spent up to now is 206.6 secs Computing kpt #: 250 total cpu time spent up to now is 207.4 secs Computing kpt #: 251 total cpu time spent up to now is 208.3 secs Computing kpt #: 252 total cpu time spent up to now is 209.1 secs Computing kpt #: 253 total cpu time spent up to now is 209.9 secs Computing kpt #: 254 total cpu time spent up to now is 210.8 secs Computing kpt #: 255 total cpu time spent up to now is 211.6 secs Computing kpt #: 256 total cpu time spent up to now is 212.5 secs Computing kpt #: 257 total cpu time spent up to now is 213.4 secs Computing kpt #: 258 total cpu time spent up to now is 214.3 secs Computing kpt #: 259 total cpu time spent up to now is 215.4 secs Computing kpt #: 260 total cpu time spent up to now is 216.3 secs Computing kpt #: 261 total cpu time spent up to now is 217.2 secs Computing kpt #: 262 total cpu time spent up to now is 218.1 secs Computing kpt #: 263 total cpu time spent up to now is 219.0 secs Computing kpt #: 264 total cpu time spent up to now is 219.9 secs Computing kpt #: 265 total cpu time spent up to now is 220.8 secs Computing kpt #: 266 total cpu time spent up to now is 221.6 secs Computing kpt #: 267 total cpu time spent up to now is 222.4 secs Computing kpt #: 268 total cpu time spent up to now is 223.2 secs Computing kpt #: 269 total cpu time spent up to now is 224.0 secs Computing kpt #: 270 total cpu time spent up to now is 224.7 secs Computing kpt #: 271 total cpu time spent up to now is 225.6 secs Computing kpt #: 272 total cpu time spent up to now is 226.3 secs Computing kpt #: 273 total cpu time spent up to now is 227.1 secs Computing kpt #: 274 total cpu time spent up to now is 227.8 secs Computing kpt #: 275 total cpu time spent up to now is 228.5 secs Computing kpt #: 276 total cpu time spent up to now is 229.3 secs Computing kpt #: 277 total cpu time spent up to now is 230.1 secs Computing kpt #: 278 total cpu time spent up to now is 230.7 secs Computing kpt #: 279 total cpu time spent up to now is 231.5 secs Computing kpt #: 280 total cpu time spent up to now is 232.2 secs Computing kpt #: 281 total cpu time spent up to now is 232.9 secs Computing kpt #: 282 total cpu time spent up to now is 233.7 secs Computing kpt #: 283 total cpu time spent up to now is 234.4 secs Computing kpt #: 284 total cpu time spent up to now is 235.1 secs Computing kpt #: 285 total cpu time spent up to now is 235.8 secs Computing kpt #: 286 total cpu time spent up to now is 236.5 secs Computing kpt #: 287 total cpu time spent up to now is 237.2 secs Computing kpt #: 288 total cpu time spent up to now is 238.0 secs Computing kpt #: 289 total cpu time spent up to now is 238.7 secs Computing kpt #: 290 total cpu time spent up to now is 239.4 secs Computing kpt #: 291 total cpu time spent up to now is 240.1 secs Computing kpt #: 292 total cpu time spent up to now is 240.9 secs Computing kpt #: 293 total cpu time spent up to now is 241.7 secs Computing kpt #: 294 total cpu time spent up to now is 242.3 secs Computing kpt #: 295 total cpu time spent up to now is 243.1 secs Computing kpt #: 296 total cpu time spent up to now is 243.8 secs Computing kpt #: 297 total cpu time spent up to now is 244.5 secs Computing kpt #: 298 total cpu time spent up to now is 245.5 secs ethr = 2.08E-08, avg # of iterations = 23.0 total cpu time spent up to now is 245.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4689 PWs) bands (ev): -28.0151 -28.0151 -20.4738 -20.4738 -17.2724 -17.2724 -16.8741 -16.8741 -14.1063 -14.1063 -14.1039 -14.1039 -10.9451 -10.9451 -9.8796 -9.8796 -9.8051 -9.8051 -5.2161 -5.2161 -4.3782 -4.3782 -4.3509 -4.3509 -3.3253 -3.3253 -1.0591 -1.0591 -1.0329 -1.0329 -0.9615 -0.9615 1.6312 1.6312 1.6822 1.6822 1.9475 1.9475 2.8752 2.8752 2.8754 2.8754 2.9035 2.9035 2.9556 2.9556 4.2716 4.2716 8.5392 8.5392 10.2452 10.2452 10.9613 10.9613 10.9828 10.9828 12.3241 12.3241 k = 0.0143 0.0082-0.0000 ( 4693 PWs) bands (ev): -28.0151 -28.0151 -20.4738 -20.4738 -17.2725 -17.2725 -16.8741 -16.8741 -14.1064 -14.1064 -14.1040 -14.1040 -10.9449 -10.9449 -9.8795 -9.8795 -9.8048 -9.8048 -5.2161 -5.2161 -4.3783 -4.3783 -4.3509 -4.3509 -3.3241 -3.3241 -1.0595 -1.0595 -1.0334 -1.0334 -0.9619 -0.9619 1.6313 1.6313 1.6823 1.6823 1.9475 1.9475 2.8752 2.8752 2.8755 2.8755 2.9023 2.9023 2.9543 2.9543 4.2705 4.2705 8.5418 8.5418 10.2449 10.2449 10.9624 10.9624 10.9839 10.9839 12.3235 12.3235 k = 0.0286 0.0165-0.0000 ( 4699 PWs) bands (ev): -28.0150 -28.0150 -20.4738 -20.4738 -17.2728 -17.2728 -16.8742 -16.8742 -14.1068 -14.1068 -14.1044 -14.1044 -10.9442 -10.9442 -9.8790 -9.8790 -9.8037 -9.8037 -5.2162 -5.2162 -4.3787 -4.3787 -4.3509 -4.3509 -3.3203 -3.3203 -1.0610 -1.0610 -1.0348 -1.0348 -0.9629 -0.9629 1.6314 1.6314 1.6823 1.6823 1.9474 1.9474 2.8749 2.8749 2.8760 2.8760 2.8986 2.8986 2.9508 2.9508 4.2672 4.2672 8.5494 8.5494 10.2439 10.2439 10.9655 10.9655 10.9873 10.9873 12.3198 12.3198 k = 0.0429 0.0247-0.0000 ( 4695 PWs) bands (ev): -28.0150 -28.0150 -20.4737 -20.4737 -17.2731 -17.2731 -16.8743 -16.8743 -14.1075 -14.1075 -14.1050 -14.1050 -10.9431 -10.9431 -9.8783 -9.8783 -9.8018 -9.8018 -5.2164 -5.2164 -4.3793 -4.3793 -4.3509 -4.3509 -3.3140 -3.3140 -1.0638 -1.0638 -1.0368 -1.0368 -0.9646 -0.9646 1.6317 1.6317 1.6825 1.6825 1.9473 1.9473 2.8744 2.8744 2.8769 2.8769 2.8919 2.8919 2.9456 2.9456 4.2617 4.2617 8.5622 8.5622 10.2422 10.2422 10.9701 10.9701 10.9936 10.9936 12.3105 12.3105 k = 0.0571 0.0330-0.0000 ( 4705 PWs) bands (ev): -28.0150 -28.0150 -20.4736 -20.4736 -17.2737 -17.2737 -16.8744 -16.8744 -14.1085 -14.1085 -14.1059 -14.1059 -10.9415 -10.9415 -9.8773 -9.8773 -9.7993 -9.7993 -5.2166 -5.2166 -4.3801 -4.3801 -4.3508 -4.3508 -3.3054 -3.3054 -1.0684 -1.0684 -1.0389 -1.0389 -0.9670 -0.9670 1.6320 1.6320 1.6827 1.6827 1.9472 1.9472 2.8737 2.8737 2.8780 2.8780 2.8817 2.8817 2.9392 2.9392 4.2541 4.2541 8.5799 8.5799 10.2397 10.2397 10.9758 10.9758 11.0032 11.0032 12.2961 12.2961 k = 0.0714 0.0412-0.0000 ( 4713 PWs) bands (ev): -28.0149 -28.0149 -20.4735 -20.4735 -17.2744 -17.2744 -16.8746 -16.8746 -14.1097 -14.1097 -14.1070 -14.1070 -10.9396 -10.9396 -9.8760 -9.8760 -9.7960 -9.7960 -5.2168 -5.2168 -4.3812 -4.3812 -4.3508 -4.3508 -3.2943 -3.2943 -1.0751 -1.0751 -1.0408 -1.0408 -0.9700 -0.9700 1.6323 1.6323 1.6830 1.6830 1.9470 1.9470 2.8669 2.8669 2.8729 2.8729 2.8797 2.8797 2.9325 2.9325 4.2444 4.2444 8.6025 8.6025 10.2365 10.2365 10.9821 10.9821 11.0164 11.0164 12.2780 12.2780 k = 0.0857 0.0495-0.0000 ( 4705 PWs) bands (ev): -28.0148 -28.0148 -20.4734 -20.4734 -17.2752 -17.2752 -16.8748 -16.8748 -14.1113 -14.1113 -14.1083 -14.1083 -10.9372 -10.9372 -9.8744 -9.8744 -9.7921 -9.7921 -5.2171 -5.2171 -4.3825 -4.3825 -4.3506 -4.3506 -3.2810 -3.2810 -1.0840 -1.0840 -1.0423 -1.0423 -0.9735 -0.9735 1.6328 1.6328 1.6834 1.6834 1.9468 1.9468 2.8482 2.8482 2.8718 2.8718 2.8816 2.8816 2.9259 2.9259 4.2329 4.2329 8.6298 8.6298 10.2323 10.2323 10.9891 10.9891 11.0335 11.0335 12.2571 12.2571 k = 0.1000 0.0577-0.0000 ( 4693 PWs) bands (ev): -28.0147 -28.0147 -20.4732 -20.4732 -17.2761 -17.2761 -16.8750 -16.8750 -14.1131 -14.1131 -14.1098 -14.1098 -10.9345 -10.9345 -9.8725 -9.8725 -9.7876 -9.7876 -5.2175 -5.2175 -4.3839 -4.3839 -4.3505 -4.3505 -3.2654 -3.2654 -1.0950 -1.0950 -1.0433 -1.0433 -0.9776 -0.9776 1.6332 1.6332 1.6839 1.6839 1.9465 1.9465 2.8253 2.8253 2.8706 2.8706 2.8838 2.8838 2.9193 2.9193 4.2195 4.2195 8.6618 8.6618 10.2273 10.2273 10.9967 10.9967 11.0542 11.0542 12.2335 12.2335 k = 0.1143 0.0660-0.0000 ( 4695 PWs) bands (ev): -28.0146 -28.0146 -20.4730 -20.4730 -17.2772 -17.2772 -16.8753 -16.8753 -14.1151 -14.1151 -14.1115 -14.1115 -10.9314 -10.9314 -9.8704 -9.8704 -9.7824 -9.7824 -5.2178 -5.2178 -4.3855 -4.3855 -4.3503 -4.3503 -3.2477 -3.2477 -1.1081 -1.1081 -1.0441 -1.0441 -0.9822 -0.9822 1.6336 1.6336 1.6846 1.6846 1.9462 1.9462 2.7985 2.7985 2.8692 2.8692 2.8863 2.8863 2.9127 2.9127 4.2044 4.2044 8.6983 8.6983 10.2212 10.2212 11.0050 11.0050 11.0784 11.0784 12.2070 12.2070 k = 0.1286 0.0742-0.0000 ( 4691 PWs) bands (ev): -28.0145 -28.0145 -20.4728 -20.4728 -17.2784 -17.2784 -16.8756 -16.8756 -14.1174 -14.1174 -14.1133 -14.1133 -10.9280 -10.9280 -9.8681 -9.8681 -9.7767 -9.7767 -5.2183 -5.2183 -4.3872 -4.3872 -4.3500 -4.3500 -3.2281 -3.2281 -1.1229 -1.1229 -1.0447 -1.0447 -0.9873 -0.9873 1.6340 1.6340 1.6854 1.6854 1.9458 1.9458 2.7683 2.7683 2.8677 2.8677 2.8891 2.8891 2.9060 2.9060 4.1878 4.1878 8.7390 8.7390 10.2142 10.2142 11.0141 11.0141 11.1061 11.1061 12.1775 12.1775 k = 0.1429 0.0825-0.0000 ( 4697 PWs) bands (ev): -28.0144 -28.0144 -20.4726 -20.4726 -17.2797 -17.2797 -16.8759 -16.8759 -14.1199 -14.1199 -14.1152 -14.1152 -10.9243 -10.9243 -9.8655 -9.8655 -9.7704 -9.7704 -5.2187 -5.2187 -4.3891 -4.3891 -4.3497 -4.3497 -3.2066 -3.2066 -1.1393 -1.1393 -1.0452 -1.0452 -0.9928 -0.9928 1.6343 1.6343 1.6864 1.6864 1.9454 1.9454 2.7351 2.7351 2.8660 2.8660 2.8922 2.8922 2.8992 2.8992 4.1699 4.1699 8.7838 8.7838 10.2062 10.2062 11.0238 11.0238 11.1371 11.1371 12.1444 12.1445 k = 0.1571 0.0907-0.0000 ( 4691 PWs) bands (ev): -28.0143 -28.0143 -20.4724 -20.4724 -17.2811 -17.2811 -16.8763 -16.8763 -14.1226 -14.1226 -14.1173 -14.1173 -10.9204 -10.9204 -9.8628 -9.8628 -9.7637 -9.7637 -5.2191 -5.2191 -4.3909 -4.3909 -4.3493 -4.3493 -3.1833 -3.1833 -1.1572 -1.1572 -1.0457 -1.0457 -0.9986 -0.9986 1.6345 1.6345 1.6877 1.6877 1.9450 1.9450 2.6993 2.6993 2.8642 2.8642 2.8918 2.8918 2.8960 2.8960 4.1507 4.1507 8.8324 8.8324 10.1972 10.1972 11.0342 11.0342 11.1712 11.1712 12.1078 12.1078 k = 0.1714 0.0990-0.0000 ( 4687 PWs) bands (ev): -28.0142 -28.0142 -20.4721 -20.4721 -17.2826 -17.2826 -16.8767 -16.8767 -14.1255 -14.1255 -14.1195 -14.1195 -10.9162 -10.9162 -9.8599 -9.8599 -9.7565 -9.7565 -5.2196 -5.2196 -4.3929 -4.3929 -4.3488 -4.3488 -3.1585 -3.1585 -1.1763 -1.1763 -1.0462 -1.0462 -1.0047 -1.0047 1.6346 1.6346 1.6891 1.6891 1.9446 1.9446 2.6612 2.6612 2.8623 2.8623 2.8846 2.8846 2.8995 2.8995 4.1305 4.1305 8.8846 8.8846 10.1872 10.1872 11.0452 11.0452 11.2085 11.2085 12.0675 12.0675 k = 0.1857 0.1072-0.0000 ( 4687 PWs) bands (ev): -28.0140 -28.0140 -20.4719 -20.4719 -17.2842 -17.2842 -16.8771 -16.8771 -14.1285 -14.1285 -14.1218 -14.1218 -10.9119 -10.9119 -9.8568 -9.8568 -9.7490 -9.7490 -5.2200 -5.2200 -4.3948 -4.3948 -4.3483 -4.3483 -3.1323 -3.1323 -1.1967 -1.1967 -1.0468 -1.0468 -1.0110 -1.0110 1.6345 1.6345 1.6908 1.6908 1.9440 1.9440 2.6211 2.6211 2.8602 2.8602 2.8770 2.8770 2.9034 2.9034 4.1095 4.1095 8.9402 8.9402 10.1764 10.1764 11.0567 11.0567 11.2485 11.2485 12.0238 12.0238 k = 0.2000 0.1155-0.0000 ( 4687 PWs) bands (ev): -28.0139 -28.0139 -20.4716 -20.4716 -17.2858 -17.2858 -16.8775 -16.8775 -14.1316 -14.1316 -14.1241 -14.1241 -10.9074 -10.9074 -9.8536 -9.8536 -9.7412 -9.7412 -5.2204 -5.2204 -4.3967 -4.3967 -4.3478 -4.3478 -3.1047 -3.1047 -1.2180 -1.2180 -1.0475 -1.0475 -1.0173 -1.0173 1.6344 1.6344 1.6926 1.6926 1.9435 1.9435 2.5795 2.5795 2.8581 2.8581 2.8693 2.8693 2.9076 2.9076 4.0878 4.0878 8.9988 8.9988 10.1648 10.1648 11.0687 11.0687 11.2912 11.2912 11.9772 11.9772 k = 0.2143 0.1237-0.0000 ( 4691 PWs) bands (ev): -28.0138 -28.0138 -20.4713 -20.4713 -17.2875 -17.2875 -16.8779 -16.8779 -14.1348 -14.1348 -14.1265 -14.1265 -10.9029 -10.9029 -9.8503 -9.8503 -9.7331 -9.7331 -5.2209 -5.2209 -4.3985 -4.3985 -4.3472 -4.3472 -3.0761 -3.0761 -1.2402 -1.2402 -1.0486 -1.0486 -1.0234 -1.0234 1.6341 1.6341 1.6946 1.6946 1.9429 1.9429 2.5366 2.5366 2.8557 2.8557 2.8617 2.8617 2.9119 2.9119 4.0657 4.0657 9.0601 9.0601 10.1525 10.1525 11.0811 11.0811 11.3362 11.3362 11.9286 11.9286 k = 0.2286 0.1320-0.0000 ( 4693 PWs) bands (ev): -28.0136 -28.0136 -20.4710 -20.4710 -17.2893 -17.2893 -16.8783 -16.8783 -14.1380 -14.1380 -14.1290 -14.1290 -10.8982 -10.8982 -9.8470 -9.8470 -9.7248 -9.7248 -5.2213 -5.2213 -4.4003 -4.4003 -4.3466 -4.3466 -3.0466 -3.0466 -1.2631 -1.2631 -1.0504 -1.0504 -1.0290 -1.0290 1.6336 1.6336 1.6968 1.6968 1.9424 1.9424 2.4929 2.4929 2.8517 2.8517 2.8554 2.8554 2.9164 2.9164 4.0432 4.0432 9.1240 9.1240 10.1396 10.1396 11.0936 11.0936 11.3834 11.3834 11.8786 11.8786 k = 0.2429 0.1402-0.0000 ( 4698 PWs) bands (ev): -28.0135 -28.0135 -20.4708 -20.4708 -17.2910 -17.2910 -16.8787 -16.8787 -14.1413 -14.1413 -14.1315 -14.1315 -10.8936 -10.8936 -9.8435 -9.8435 -9.7165 -9.7165 -5.2217 -5.2217 -4.4021 -4.4021 -4.3460 -4.3460 -3.0163 -3.0163 -1.2865 -1.2865 -1.0532 -1.0532 -1.0337 -1.0337 1.6331 1.6331 1.6991 1.6991 1.9417 1.9417 2.4487 2.4487 2.8445 2.8445 2.8523 2.8523 2.9211 2.9211 4.0207 4.0207 9.1899 9.1899 10.1263 10.1263 11.1064 11.1064 11.4324 11.4324 11.8281 11.8281 k = 0.2571 0.1485-0.0000 ( 4696 PWs) bands (ev): -28.0133 -28.0133 -20.4705 -20.4705 -17.2927 -17.2927 -16.8792 -16.8792 -14.1446 -14.1446 -14.1340 -14.1340 -10.8889 -10.8889 -9.8400 -9.8400 -9.7080 -9.7080 -5.2220 -5.2220 -4.4037 -4.4037 -4.3453 -4.3453 -2.9855 -2.9855 -1.3102 -1.3102 -1.0574 -1.0574 -1.0370 -1.0370 1.6324 1.6324 1.7015 1.7015 1.9411 1.9411 2.4043 2.4043 2.8366 2.8366 2.8499 2.8499 2.9258 2.9258 3.9983 3.9983 9.2575 9.2575 10.1127 10.1127 11.1193 11.1193 11.4829 11.4829 11.7778 11.7778 k = 0.2714 0.1567-0.0000 ( 4694 PWs) bands (ev): -28.0132 -28.0132 -20.4702 -20.4702 -17.2945 -17.2945 -16.8796 -16.8796 -14.1478 -14.1478 -14.1365 -14.1365 -10.8843 -10.8843 -9.8366 -9.8366 -9.6996 -9.6996 -5.2224 -5.2224 -4.4052 -4.4052 -4.3446 -4.3446 -2.9544 -2.9544 -1.3342 -1.3342 -1.0628 -1.0628 -1.0390 -1.0390 1.6316 1.6316 1.7040 1.7040 1.9405 1.9405 2.3601 2.3601 2.8286 2.8286 2.8477 2.8477 2.9306 2.9306 3.9762 3.9762 9.3266 9.3266 10.0989 10.0989 11.1321 11.1321 11.5346 11.5346 11.7283 11.7283 k = 0.2857 0.1650-0.0000 ( 4698 PWs) bands (ev): -28.0130 -28.0130 -20.4699 -20.4699 -17.2962 -17.2962 -16.8800 -16.8800 -14.1510 -14.1510 -14.1389 -14.1389 -10.8798 -10.8798 -9.8331 -9.8331 -9.6913 -9.6913 -5.2227 -5.2227 -4.4067 -4.4067 -4.3439 -4.3439 -2.9231 -2.9231 -1.3582 -1.3582 -1.0689 -1.0689 -1.0403 -1.0403 1.6308 1.6308 1.7066 1.7066 1.9398 1.9398 2.3165 2.3165 2.8208 2.8208 2.8455 2.8455 2.9354 2.9354 3.9544 3.9544 9.3965 9.3965 10.0851 10.0851 11.1447 11.1447 11.5869 11.5869 11.6801 11.6801 k = 0.3000 0.1732-0.0000 ( 4704 PWs) bands (ev): -28.0129 -28.0129 -20.4696 -20.4696 -17.2979 -17.2979 -16.8805 -16.8805 -14.1541 -14.1541 -14.1413 -14.1413 -10.8755 -10.8755 -9.8297 -9.8297 -9.6832 -9.6832 -5.2230 -5.2230 -4.4080 -4.4080 -4.3432 -4.3432 -2.8920 -2.8920 -1.3821 -1.3821 -1.0753 -1.0753 -1.0412 -1.0412 1.6298 1.6298 1.7091 1.7091 1.9392 1.9392 2.2738 2.2738 2.8131 2.8131 2.8434 2.8434 2.9401 2.9401 3.9333 3.9333 9.4669 9.4669 10.0713 10.0713 11.1572 11.1572 11.6316 11.6316 11.6417 11.6417 k = 0.3143 0.1815-0.0000 ( 4708 PWs) bands (ev): -28.0127 -28.0127 -20.4693 -20.4693 -17.2996 -17.2996 -16.8809 -16.8809 -14.1571 -14.1571 -14.1436 -14.1436 -10.8712 -10.8712 -9.8264 -9.8264 -9.6753 -9.6753 -5.2232 -5.2232 -4.4092 -4.4092 -4.3425 -4.3425 -2.8612 -2.8612 -1.4056 -1.4056 -1.0818 -1.0818 -1.0417 -1.0417 1.6287 1.6287 1.7116 1.7116 1.9385 1.9385 2.2324 2.2324 2.8056 2.8056 2.8413 2.8413 2.9448 2.9448 3.9130 3.9130 9.5373 9.5373 10.0578 10.0578 11.1693 11.1693 11.5889 11.5889 11.6928 11.6928 k = 0.3286 0.1897-0.0000 ( 4702 PWs) bands (ev): -28.0126 -28.0126 -20.4691 -20.4691 -17.3011 -17.3011 -16.8812 -16.8812 -14.1600 -14.1600 -14.1458 -14.1458 -10.8672 -10.8672 -9.8232 -9.8232 -9.6676 -9.6676 -5.2234 -5.2234 -4.4103 -4.4103 -4.3418 -4.3418 -2.8310 -2.8310 -1.4287 -1.4287 -1.0882 -1.0882 -1.0422 -1.0422 1.6276 1.6276 1.7141 1.7141 1.9379 1.9379 2.1925 2.1925 2.7985 2.7985 2.8394 2.8394 2.9494 2.9494 3.8935 3.8935 9.6070 9.6070 10.0447 10.0447 11.1809 11.1809 11.5470 11.5470 11.7450 11.7450 k = 0.3429 0.1979-0.0000 ( 4702 PWs) bands (ev): -28.0125 -28.0125 -20.4688 -20.4688 -17.3027 -17.3027 -16.8816 -16.8816 -14.1627 -14.1627 -14.1479 -14.1479 -10.8634 -10.8634 -9.8201 -9.8201 -9.6603 -9.6603 -5.2236 -5.2236 -4.4113 -4.4113 -4.3412 -4.3412 -2.8016 -2.8016 -1.4510 -1.4510 -1.0943 -1.0943 -1.0425 -1.0425 1.6264 1.6264 1.7165 1.7165 1.9373 1.9373 2.1546 2.1546 2.7917 2.7917 2.8375 2.8375 2.9538 2.9538 3.8751 3.8751 9.6756 9.6756 10.0321 10.0321 11.1920 11.1920 11.5077 11.5077 11.7962 11.7962 k = 0.3571 0.2062-0.0000 ( 4702 PWs) bands (ev): -28.0124 -28.0124 -20.4686 -20.4686 -17.3041 -17.3041 -16.8820 -16.8820 -14.1653 -14.1653 -14.1498 -14.1498 -10.8598 -10.8598 -9.8172 -9.8172 -9.6535 -9.6535 -5.2237 -5.2237 -4.4122 -4.4122 -4.3405 -4.3405 -2.7734 -2.7734 -1.4725 -1.4725 -1.1002 -1.1002 -1.0427 -1.0427 1.6252 1.6252 1.7187 1.7187 1.9367 1.9367 2.1189 2.1189 2.7853 2.7853 2.8357 2.8357 2.9580 2.9580 3.8578 3.8578 9.7423 9.7423 10.0201 10.0201 11.2025 11.2025 11.4713 11.4713 11.8459 11.8459 k = 0.3714 0.2144-0.0000 ( 4696 PWs) bands (ev): -28.0122 -28.0122 -20.4683 -20.4683 -17.3054 -17.3054 -16.8823 -16.8823 -14.1676 -14.1676 -14.1517 -14.1517 -10.8564 -10.8564 -9.8145 -9.8145 -9.6471 -9.6471 -5.2239 -5.2239 -4.4130 -4.4130 -4.3399 -4.3399 -2.7466 -2.7466 -1.4928 -1.4928 -1.1057 -1.1057 -1.0429 -1.0429 1.6239 1.6239 1.7209 1.7209 1.9361 1.9361 2.0858 2.0858 2.7793 2.7793 2.8341 2.8341 2.9619 2.9619 3.8418 3.8418 9.8064 9.8064 10.0090 10.0090 11.2123 11.2123 11.4381 11.4381 11.8935 11.8935 k = 0.3857 0.2227-0.0000 ( 4698 PWs) bands (ev): -28.0121 -28.0121 -20.4681 -20.4681 -17.3066 -17.3066 -16.8826 -16.8826 -14.1698 -14.1698 -14.1534 -14.1534 -10.8534 -10.8534 -9.8120 -9.8120 -9.6412 -9.6412 -5.2240 -5.2240 -4.4136 -4.4136 -4.3393 -4.3393 -2.7214 -2.7214 -1.5119 -1.5119 -1.1107 -1.1107 -1.0431 -1.0431 1.6225 1.6225 1.7229 1.7229 1.9355 1.9355 2.0555 2.0555 2.7739 2.7739 2.8326 2.8326 2.9656 2.9656 3.8273 3.8273 9.8671 9.8671 9.9987 9.9987 11.2213 11.2213 11.4081 11.4081 11.9384 11.9384 k = 0.4000 0.2309-0.0000 ( 4704 PWs) bands (ev): -28.0120 -28.0120 -20.4680 -20.4680 -17.3077 -17.3077 -16.8829 -16.8829 -14.1718 -14.1718 -14.1549 -14.1549 -10.8507 -10.8507 -9.8097 -9.8097 -9.6359 -9.6359 -5.2241 -5.2241 -4.4142 -4.4142 -4.3388 -4.3388 -2.6983 -2.6983 -1.5294 -1.5294 -1.1153 -1.1153 -1.0433 -1.0433 1.6212 1.6212 1.7247 1.7247 1.9349 1.9349 2.0282 2.0282 2.7690 2.7690 2.8312 2.8312 2.9689 2.9689 3.8142 3.8142 9.9234 9.9234 9.9895 9.9895 11.2295 11.2295 11.3815 11.3815 11.9800 11.9800 k = 0.4143 0.2392-0.0000 ( 4700 PWs) bands (ev): -28.0120 -28.0120 -20.4678 -20.4678 -17.3087 -17.3087 -16.8831 -16.8831 -14.1735 -14.1735 -14.1562 -14.1562 -10.8483 -10.8483 -9.8077 -9.8077 -9.6312 -9.6312 -5.2241 -5.2241 -4.4147 -4.4147 -4.3383 -4.3383 -2.6775 -2.6775 -1.5452 -1.5452 -1.1194 -1.1194 -1.0434 -1.0434 1.6199 1.6199 1.7263 1.7263 1.9343 1.9343 2.0044 2.0044 2.7646 2.7646 2.8300 2.8300 2.9719 2.9719 3.8026 3.8026 9.9718 9.9718 9.9842 9.9842 11.2367 11.2367 11.3584 11.3584 12.0177 12.0177 k = 0.4286 0.2474-0.0000 ( 4698 PWs) bands (ev): -28.0119 -28.0119 -20.4677 -20.4677 -17.3095 -17.3095 -16.8833 -16.8833 -14.1750 -14.1750 -14.1574 -14.1574 -10.8462 -10.8462 -9.8059 -9.8059 -9.6271 -9.6271 -5.2242 -5.2242 -4.4151 -4.4151 -4.3379 -4.3379 -2.6592 -2.6592 -1.5590 -1.5590 -1.1229 -1.1229 -1.0435 -1.0435 1.6186 1.6186 1.7277 1.7277 1.9336 1.9336 1.9841 1.9841 2.7609 2.7609 2.8290 2.8290 2.9744 2.9744 3.7927 3.7927 9.9729 9.9729 10.0215 10.0215 11.2429 11.2429 11.3388 11.3388 12.0509 12.0509 k = 0.4429 0.2557-0.0000 ( 4700 PWs) bands (ev): -28.0118 -28.0118 -20.4675 -20.4675 -17.3102 -17.3102 -16.8835 -16.8835 -14.1762 -14.1762 -14.1583 -14.1583 -10.8446 -10.8446 -9.8045 -9.8045 -9.6238 -9.6238 -5.2242 -5.2242 -4.4155 -4.4155 -4.3376 -4.3376 -2.6439 -2.6439 -1.5707 -1.5707 -1.1258 -1.1258 -1.0436 -1.0436 1.6175 1.6175 1.7288 1.7288 1.9327 1.9327 1.9676 1.9676 2.7578 2.7578 2.8282 2.8282 2.9766 2.9766 3.7846 3.7846 9.9672 9.9672 10.0599 10.0599 11.2480 11.2480 11.3228 11.3228 12.0788 12.0788 k = 0.4571 0.2639-0.0000 ( 4704 PWs) bands (ev): -28.0118 -28.0118 -20.4675 -20.4675 -17.3108 -17.3108 -16.8836 -16.8836 -14.1771 -14.1771 -14.1590 -14.1590 -10.8432 -10.8432 -9.8034 -9.8034 -9.6211 -9.6211 -5.2242 -5.2242 -4.4157 -4.4157 -4.3373 -4.3373 -2.6316 -2.6316 -1.5800 -1.5800 -1.1281 -1.1281 -1.0436 -1.0436 1.6165 1.6165 1.7297 1.7297 1.9314 1.9314 1.9553 1.9553 2.7554 2.7554 2.8275 2.8275 2.9783 2.9783 3.7782 3.7782 9.9625 9.9625 10.0909 10.0909 11.2521 11.2521 11.3104 11.3104 12.1007 12.1007 k = 0.4714 0.2722-0.0000 ( 4696 PWs) bands (ev): -28.0118 -28.0118 -20.4674 -20.4674 -17.3112 -17.3112 -16.8837 -16.8837 -14.1778 -14.1778 -14.1596 -14.1596 -10.8423 -10.8423 -9.8025 -9.8025 -9.6192 -9.6192 -5.2243 -5.2243 -4.4159 -4.4159 -4.3371 -4.3371 -2.6227 -2.6227 -1.5868 -1.5868 -1.1297 -1.1297 -1.0437 -1.0437 1.6158 1.6158 1.7304 1.7304 1.9296 1.9296 1.9474 1.9474 2.7537 2.7537 2.8270 2.8270 2.9795 2.9795 3.7735 3.7735 9.9592 9.9592 10.1136 10.1136 11.2550 11.2550 11.3015 11.3015 12.1152 12.1153 k = 0.4857 0.2804-0.0000 ( 4692 PWs) bands (ev): -28.0117 -28.0117 -20.4673 -20.4673 -17.3114 -17.3114 -16.8837 -16.8837 -14.1782 -14.1782 -14.1599 -14.1599 -10.8417 -10.8417 -9.8020 -9.8020 -9.6181 -9.6181 -5.2243 -5.2243 -4.4160 -4.4160 -4.3370 -4.3370 -2.6173 -2.6173 -1.5909 -1.5909 -1.1307 -1.1307 -1.0437 -1.0437 1.6153 1.6153 1.7308 1.7308 1.9276 1.9276 1.9435 1.9435 2.7526 2.7526 2.8267 2.8267 2.9802 2.9802 3.7708 3.7708 9.9572 9.9572 10.1275 10.1275 11.2568 11.2568 11.2962 11.2962 12.1206 12.1213 k = 0.5000 0.2887-0.0000 ( 4700 PWs) bands (ev): -28.0117 -28.0117 -20.4673 -20.4673 -17.3115 -17.3115 -16.8838 -16.8838 -14.1784 -14.1784 -14.1600 -14.1600 -10.8415 -10.8415 -9.8019 -9.8019 -9.6177 -9.6177 -5.2243 -5.2243 -4.4160 -4.4160 -4.3369 -4.3369 -2.6154 -2.6154 -1.5923 -1.5923 -1.1311 -1.1311 -1.0437 -1.0437 1.6152 1.6152 1.7309 1.7309 1.9267 1.9267 1.9424 1.9424 2.7523 2.7523 2.8266 2.8266 2.9805 2.9805 3.7698 3.7698 9.9565 9.9565 10.1321 10.1321 11.2574 11.2574 11.2945 11.2945 12.1211 12.1212 k = 0.5000 0.2887-0.0000 ( 4700 PWs) bands (ev): -28.0117 -28.0117 -20.4673 -20.4673 -17.3115 -17.3115 -16.8838 -16.8838 -14.1784 -14.1784 -14.1600 -14.1600 -10.8415 -10.8415 -9.8019 -9.8019 -9.6177 -9.6177 -5.2243 -5.2243 -4.4160 -4.4160 -4.3369 -4.3369 -2.6154 -2.6154 -1.5923 -1.5923 -1.1311 -1.1311 -1.0437 -1.0437 1.6152 1.6152 1.7309 1.7309 1.9267 1.9267 1.9424 1.9424 2.7523 2.7523 2.8266 2.8266 2.9805 2.9805 3.7698 3.7698 9.9565 9.9565 10.1321 10.1321 11.2574 11.2574 11.2945 11.2945 12.1211 12.1211 k = 0.4917 0.3031-0.0000 ( 4702 PWs) bands (ev): -28.0117 -28.0117 -20.4673 -20.4673 -17.3117 -17.3113 -16.8838 -16.8838 -14.1834 -14.1776 -14.1601 -14.1558 -10.8437 -10.8392 -9.8033 -9.8003 -9.6209 -9.6143 -5.2266 -5.2219 -4.4208 -4.4112 -4.3382 -4.3356 -2.6153 -2.6143 -1.5940 -1.5927 -1.1312 -1.1312 -1.0440 -1.0425 1.6130 1.6173 1.7296 1.7324 1.9267 1.9271 1.9425 1.9427 2.7507 2.7514 2.8269 2.8269 2.9803 2.9803 3.7691 3.7696 9.9551 9.9554 10.1315 10.1329 11.2600 11.2603 11.2957 11.2970 12.1215 12.1221 k = 0.4833 0.3175-0.0000 ( 4706 PWs) bands (ev): -28.0117 -28.0117 -20.4673 -20.4673 -17.3119 -17.3113 -16.8838 -16.8838 -14.1900 -14.1814 -14.1557 -14.1502 -10.8458 -10.8367 -9.8045 -9.7986 -9.6240 -9.6108 -5.2288 -5.2196 -4.4255 -4.4063 -4.3394 -4.3342 -2.6139 -2.6119 -1.5977 -1.5953 -1.1316 -1.1316 -1.0432 -1.0402 1.6106 1.6192 1.7285 1.7341 1.9272 1.9280 1.9429 1.9434 2.7467 2.7480 2.8278 2.8278 2.9798 2.9799 3.7672 3.7682 9.9514 9.9518 10.1311 10.1338 11.2681 11.2688 11.3006 11.3034 12.1223 12.1235 k = 0.4750 0.3320-0.0000 ( 4706 PWs) bands (ev): -28.0117 -28.0117 -20.4673 -20.4673 -17.3122 -17.3113 -16.8839 -16.8838 -14.1969 -14.1870 -14.1497 -14.1443 -10.8478 -10.8342 -9.8056 -9.7968 -9.6268 -9.6071 -5.2310 -5.2173 -4.4301 -4.4015 -4.3405 -4.3328 -2.6113 -2.6083 -1.6035 -1.5999 -1.1322 -1.1322 -1.0415 -1.0371 1.6083 1.6210 1.7276 1.7360 1.9279 1.9290 1.9439 1.9448 2.7403 2.7422 2.8292 2.8292 2.9791 2.9791 3.7644 3.7658 9.9454 9.9461 10.1308 10.1348 11.2816 11.2826 11.3094 11.3135 12.1213 12.1230 k = 0.4667 0.3464-0.0000 ( 4708 PWs) bands (ev): -28.0117 -28.0117 -20.4673 -20.4673 -17.3125 -17.3113 -16.8839 -16.8839 -14.2040 -14.1931 -14.1434 -14.1384 -10.8496 -10.8317 -9.8065 -9.7948 -9.6294 -9.6034 -5.2332 -5.2150 -4.4346 -4.3967 -4.3415 -4.3314 -2.6075 -2.6035 -1.6111 -1.6065 -1.1331 -1.1331 -1.0389 -1.0332 1.6059 1.6226 1.7271 1.7380 1.9288 1.9300 1.9455 1.9469 2.7317 2.7341 2.8312 2.8312 2.9780 2.9780 3.7606 3.7625 9.9374 9.9383 10.1306 10.1360 11.3002 11.3014 11.3218 11.3273 12.1174 12.1195 k = 0.4583 0.3608-0.0000 ( 4704 PWs) bands (ev): -28.0117 -28.0117 -20.4672 -20.4672 -17.3128 -17.3113 -16.8840 -16.8839 -14.2110 -14.1992 -14.1370 -14.1327 -10.8512 -10.8291 -9.8073 -9.7928 -9.6318 -9.5996 -5.2352 -5.2127 -4.4388 -4.3921 -4.3425 -4.3299 -2.6025 -2.5975 -1.6203 -1.6148 -1.1343 -1.1342 -1.0356 -1.0286 1.6035 1.6239 1.7268 1.7401 1.9296 1.9308 1.9479 1.9499 2.7210 2.7238 2.8336 2.8337 2.9767 2.9767 3.7560 3.7583 9.9277 9.9288 10.1306 10.1373 11.3233 11.3248 11.3379 11.3448 12.1113 12.1137 k = 0.4500 0.3753-0.0000 ( 4700 PWs) bands (ev): -28.0116 -28.0116 -20.4672 -20.4672 -17.3132 -17.3115 -16.8840 -16.8840 -14.2178 -14.2053 -14.1309 -14.1272 -10.8527 -10.8265 -9.8079 -9.7906 -9.6339 -9.5957 -5.2372 -5.2106 -4.4429 -4.3875 -4.3433 -4.3285 -2.5964 -2.5905 -1.6310 -1.6246 -1.1356 -1.1356 -1.0318 -1.0236 1.6011 1.6250 1.7268 1.7422 1.9301 1.9314 1.9512 1.9539 2.7084 2.7116 2.8365 2.8366 2.9751 2.9751 3.7505 3.7533 9.9167 9.9179 10.1308 10.1387 11.3505 11.3522 11.3576 11.3661 12.1034 12.1061 k = 0.4417 0.3897-0.0000 ( 4696 PWs) bands (ev): -28.0116 -28.0116 -20.4671 -20.4671 -17.3136 -17.3116 -16.8841 -16.8841 -14.2245 -14.2112 -14.1251 -14.1219 -10.8540 -10.8240 -9.8084 -9.7884 -9.6358 -9.5919 -5.2391 -5.2084 -4.4468 -4.3831 -4.3441 -4.3270 -2.5894 -2.5825 -1.6428 -1.6356 -1.1371 -1.1371 -1.0275 -1.0183 1.5988 1.6259 1.7270 1.7444 1.9304 1.9317 1.9552 1.9587 2.6941 2.6978 2.8398 2.8399 2.9732 2.9733 3.7445 3.7476 9.9047 9.9060 10.1311 10.1402 11.3795 11.3827 11.3827 11.3913 12.0939 12.0971 k = 0.4333 0.4041-0.0000 ( 4696 PWs) bands (ev): -28.0116 -28.0116 -20.4671 -20.4671 -17.3141 -17.3118 -16.8842 -16.8842 -14.2309 -14.2168 -14.1196 -14.1169 -10.8552 -10.8215 -9.8087 -9.7862 -9.6375 -9.5880 -5.2408 -5.2064 -4.4504 -4.3790 -4.3448 -4.3256 -2.5815 -2.5737 -1.6555 -1.6477 -1.1387 -1.1387 -1.0230 -1.0128 1.5965 1.6265 1.7275 1.7465 1.9304 1.9318 1.9599 1.9642 2.6786 2.6825 2.8435 2.8435 2.9712 2.9713 3.7380 3.7415 9.8921 9.8935 10.1316 10.1418 11.4065 11.4146 11.4162 11.4216 12.0830 12.0865 k = 0.4250 0.4186-0.0000 ( 4696 PWs) bands (ev): -28.0116 -28.0116 -20.4670 -20.4670 -17.3145 -17.3120 -16.8843 -16.8843 -14.2369 -14.2222 -14.1145 -14.1123 -10.8561 -10.8190 -9.8090 -9.7839 -9.6389 -9.5843 -5.2424 -5.2045 -4.4537 -4.3750 -4.3454 -4.3242 -2.5728 -2.5642 -1.6688 -1.6605 -1.1405 -1.1405 -1.0184 -1.0073 1.5944 1.6269 1.7282 1.7486 1.9303 1.9317 1.9651 1.9701 2.6621 2.6662 2.8474 2.8474 2.9690 2.9691 3.7311 3.7349 9.8792 9.8808 10.1323 10.1436 11.4361 11.4470 11.4528 11.4570 12.0708 12.0747 k = 0.4167 0.4330-0.0000 ( 4684 PWs) bands (ev): -28.0115 -28.0115 -20.4669 -20.4669 -17.3150 -17.3122 -16.8844 -16.8843 -14.2426 -14.2273 -14.1099 -14.1081 -10.8569 -10.8167 -9.8091 -9.7817 -9.6401 -9.5807 -5.2439 -5.2028 -4.4568 -4.3713 -4.3460 -4.3229 -2.5636 -2.5541 -1.6824 -1.6738 -1.1423 -1.1423 -1.0139 -1.0019 1.5924 1.6271 1.7290 1.7507 1.9301 1.9315 1.9706 1.9764 2.6451 2.6492 2.8514 2.8515 2.9667 2.9668 3.7241 3.7282 9.8664 9.8681 10.1332 10.1454 11.4685 11.4812 11.4914 11.4955 12.0572 12.0615 k = 0.4083 0.4474-0.0000 ( 4692 PWs) bands (ev): -28.0115 -28.0115 -20.4669 -20.4669 -17.3154 -17.3125 -16.8845 -16.8845 -14.2479 -14.2320 -14.1056 -14.1043 -10.8575 -10.8145 -9.8091 -9.7795 -9.6411 -9.5772 -5.2452 -5.2011 -4.4596 -4.3679 -4.3464 -4.3217 -2.5539 -2.5437 -1.6962 -1.6872 -1.1442 -1.1442 -1.0095 -0.9968 1.5905 1.6272 1.7300 1.7526 1.9298 1.9313 1.9762 1.9827 2.6278 2.6320 2.8556 2.8556 2.9643 2.9644 3.7170 3.7214 9.8540 9.8557 10.1343 10.1474 11.5034 11.5178 11.5315 11.5355 12.0423 12.0471 k = 0.4000 0.4619-0.0000 ( 4696 PWs) bands (ev): -28.0115 -28.0115 -20.4668 -20.4668 -17.3159 -17.3128 -16.8846 -16.8846 -14.2527 -14.2363 -14.1018 -14.1008 -10.8580 -10.8124 -9.8090 -9.7775 -9.6419 -9.5739 -5.2464 -5.1996 -4.4621 -4.3648 -4.3469 -4.3205 -2.5441 -2.5331 -1.7097 -1.7005 -1.1460 -1.1460 -1.0054 -0.9921 1.5887 1.6271 1.7310 1.7544 1.9295 1.9311 1.9816 1.9889 2.6108 2.6149 2.8597 2.8597 2.9618 2.9620 3.7101 3.7147 9.8423 9.8440 10.1356 10.1495 11.5404 11.5565 11.5723 11.5765 12.0263 12.0314 k = 0.3917 0.4763-0.0000 ( 4694 PWs) bands (ev): -28.0114 -28.0114 -20.4667 -20.4667 -17.3163 -17.3130 -16.8847 -16.8846 -14.2570 -14.2402 -14.0985 -14.0978 -10.8584 -10.8105 -9.8089 -9.7755 -9.6425 -9.5709 -5.2475 -5.1983 -4.4644 -4.3620 -4.3473 -4.3195 -2.5343 -2.5226 -1.7226 -1.7134 -1.1478 -1.1478 -1.0017 -0.9878 1.5871 1.6269 1.7321 1.7561 1.9291 1.9308 1.9868 1.9948 2.5946 2.5985 2.8637 2.8637 2.9595 2.9596 3.7034 3.7083 9.8314 9.8332 10.1371 10.1517 11.5791 11.5968 11.6134 11.6178 12.0091 12.0147 k = 0.3833 0.4907-0.0000 ( 4686 PWs) bands (ev): -28.0114 -28.0114 -20.4667 -20.4667 -17.3167 -17.3133 -16.8848 -16.8847 -14.2608 -14.2436 -14.0957 -14.0953 -10.8586 -10.8088 -9.8087 -9.7737 -9.6429 -9.5681 -5.2484 -5.1972 -4.4663 -4.3595 -4.3476 -4.3186 -2.5248 -2.5125 -1.7348 -1.7255 -1.1495 -1.1495 -0.9984 -0.9840 1.5857 1.6266 1.7331 1.7576 1.9288 1.9306 1.9914 2.0001 2.5795 2.5831 2.8675 2.8675 2.9572 2.9574 3.6973 3.7023 9.8216 9.8234 10.1387 10.1540 11.6185 11.6379 11.6542 11.6588 11.9908 11.9969 k = 0.3750 0.5052-0.0000 ( 4694 PWs) bands (ev): -28.0114 -28.0114 -20.4666 -20.4666 -17.3171 -17.3135 -16.8849 -16.8848 -14.2641 -14.2465 -14.0933 -14.0931 -10.8588 -10.8073 -9.8085 -9.7721 -9.6431 -9.5657 -5.2492 -5.1962 -4.4679 -4.3573 -4.3480 -4.3178 -2.5159 -2.5030 -1.7459 -1.7365 -1.1511 -1.1510 -0.9956 -0.9808 1.5844 1.6263 1.7341 1.7589 1.9285 1.9304 1.9953 2.0047 2.5659 2.5693 2.8709 2.8709 2.9551 2.9553 3.6917 3.6969 9.8130 9.8149 10.1405 10.1563 11.6578 11.6789 11.6940 11.6989 11.9714 11.9781 k = 0.3667 0.5196-0.0000 ( 4698 PWs) bands (ev): -28.0114 -28.0114 -20.4666 -20.4666 -17.3174 -17.3138 -16.8850 -16.8849 -14.2668 -14.2489 -14.0914 -14.0914 -10.8588 -10.8061 -9.8083 -9.7708 -9.6432 -9.5636 -5.2498 -5.1954 -4.4692 -4.3555 -4.3483 -4.3171 -2.5079 -2.4946 -1.7556 -1.7462 -1.1524 -1.1524 -0.9933 -0.9781 1.5834 1.6260 1.7350 1.7601 1.9282 1.9302 1.9984 2.0085 2.5544 2.5575 2.8738 2.8738 2.9534 2.9536 3.6869 3.6922 9.8058 9.8077 10.1423 10.1586 11.6955 11.7182 11.7323 11.7374 11.9509 11.9585 k = 0.3583 0.5340-0.0000 ( 4697 PWs) bands (ev): -28.0113 -28.0113 -20.4665 -20.4665 -17.3176 -17.3139 -16.8851 -16.8850 -14.2689 -14.2508 -14.0900 -14.0899 -10.8589 -10.8050 -9.8081 -9.7697 -9.6433 -9.5619 -5.2503 -5.1947 -4.4702 -4.3539 -4.3487 -4.3166 -2.5011 -2.4874 -1.7635 -1.7542 -1.1535 -1.1535 -0.9915 -0.9760 1.5825 1.6257 1.7358 1.7610 1.9279 1.9300 2.0007 2.0113 2.5451 2.5480 2.8762 2.8762 2.9519 2.9522 3.6830 3.6883 9.8001 9.8020 10.1440 10.1606 11.7298 11.7541 11.7685 11.7736 11.9295 11.9382 k = 0.3500 0.5485-0.0000 ( 4701 PWs) bands (ev): -28.0113 -28.0113 -20.4665 -20.4665 -17.3178 -17.3141 -16.8851 -16.8850 -14.2704 -14.2521 -14.0891 -14.0889 -10.8588 -10.8043 -9.8079 -9.7689 -9.6432 -9.5607 -5.2506 -5.1943 -4.4709 -4.3525 -4.3492 -4.3162 -2.4960 -2.4820 -1.7695 -1.7603 -1.1544 -1.1543 -0.9902 -0.9746 1.5819 1.6254 1.7363 1.7617 1.9278 1.9299 2.0022 2.0130 2.5384 2.5410 2.8779 2.8779 2.9509 2.9511 3.6800 3.6854 9.7959 9.7978 10.1455 10.1624 11.7580 11.7842 11.8019 11.8058 11.9071 11.9178 k = 0.3417 0.5629-0.0000 ( 4705 PWs) bands (ev): -28.0113 -28.0113 -20.4665 -20.4665 -17.3180 -17.3142 -16.8851 -16.8850 -14.2713 -14.2529 -14.0886 -14.0883 -10.8588 -10.8039 -9.8078 -9.7684 -9.6432 -9.5599 -5.2508 -5.1940 -4.4714 -4.3515 -4.3498 -4.3160 -2.4926 -2.4785 -1.7733 -1.7640 -1.1549 -1.1549 -0.9895 -0.9737 1.5815 1.6252 1.7367 1.7621 1.9276 1.9299 2.0029 2.0140 2.5343 2.5369 2.8789 2.8789 2.9503 2.9506 3.6782 3.6837 9.7934 9.7953 10.1466 10.1637 11.7770 11.8052 11.8316 11.8321 11.8840 11.8991 k = 0.3333 0.5774-0.0000 ( 4689 PWs) bands (ev): -28.0113 -28.0113 -20.4665 -20.4665 -17.3180 -17.3142 -16.8851 -16.8850 -14.2716 -14.2532 -14.0884 -14.0881 -10.8588 -10.8037 -9.8077 -9.7682 -9.6432 -9.5597 -5.2509 -5.1939 -4.4715 -4.3508 -4.3504 -4.3159 -2.4915 -2.4773 -1.7746 -1.7653 -1.1551 -1.1551 -0.9893 -0.9734 1.5814 1.6252 1.7368 1.7622 1.9276 1.9299 2.0030 2.0142 2.5330 2.5355 2.8793 2.8793 2.9501 2.9504 3.6776 3.6830 9.7926 9.7945 10.1471 10.1642 11.7838 11.8129 11.8435 11.8543 11.8642 11.8896 k = 0.3333 0.5774-0.0000 ( 4689 PWs) bands (ev): -28.0113 -28.0113 -20.4665 -20.4665 -17.3180 -17.3142 -16.8851 -16.8850 -14.2716 -14.2532 -14.0884 -14.0881 -10.8588 -10.8037 -9.8077 -9.7682 -9.6432 -9.5597 -5.2509 -5.1939 -4.4715 -4.3508 -4.3504 -4.3159 -2.4915 -2.4773 -1.7746 -1.7653 -1.1551 -1.1551 -0.9893 -0.9734 1.5814 1.6252 1.7368 1.7622 1.9276 1.9299 2.0030 2.0142 2.5330 2.5355 2.8793 2.8793 2.9501 2.9504 3.6776 3.6830 9.7926 9.7945 10.1471 10.1642 11.7838 11.8129 11.8435 11.8543 11.8642 11.8896 k = 0.3250 0.5629-0.0000 ( 4693 PWs) bands (ev): -28.0113 -28.0113 -20.4665 -20.4665 -17.3180 -17.3142 -16.8851 -16.8850 -14.2713 -14.2529 -14.0886 -14.0883 -10.8588 -10.8038 -9.8078 -9.7684 -9.6432 -9.5599 -5.2508 -5.1940 -4.4714 -4.3515 -4.3498 -4.3160 -2.4927 -2.4785 -1.7732 -1.7640 -1.1549 -1.1549 -0.9895 -0.9737 1.5815 1.6253 1.7367 1.7621 1.9276 1.9299 2.0030 2.0141 2.5343 2.5368 2.8789 2.8790 2.9503 2.9505 3.6782 3.6837 9.7934 9.7953 10.1465 10.1636 11.7768 11.8051 11.8326 11.8336 11.8823 11.8979 k = 0.3167 0.5485-0.0000 ( 4685 PWs) bands (ev): -28.0113 -28.0113 -20.4665 -20.4665 -17.3178 -17.3141 -16.8851 -16.8850 -14.2704 -14.2521 -14.0890 -14.0888 -10.8589 -10.8043 -9.8080 -9.7689 -9.6433 -9.5608 -5.2506 -5.1943 -4.4709 -4.3525 -4.3493 -4.3162 -2.4965 -2.4825 -1.7692 -1.7599 -1.1543 -1.1543 -0.9902 -0.9745 1.5820 1.6255 1.7363 1.7616 1.9278 1.9299 2.0030 2.0139 2.5381 2.5407 2.8781 2.8781 2.9507 2.9509 3.6802 3.6856 9.7960 9.7979 10.1446 10.1614 11.7568 11.7836 11.8079 11.8105 11.9002 11.9114 k = 0.3083 0.5340-0.0000 ( 4681 PWs) bands (ev): -28.0113 -28.0113 -20.4665 -20.4665 -17.3176 -17.3139 -16.8850 -16.8849 -14.2689 -14.2508 -14.0898 -14.0897 -10.8591 -10.8051 -9.8082 -9.7697 -9.6437 -9.5622 -5.2503 -5.1947 -4.4703 -4.3537 -4.3488 -4.3166 -2.5030 -2.4893 -1.7624 -1.7531 -1.1533 -1.1532 -0.9912 -0.9758 1.5827 1.6259 1.7356 1.7609 1.9280 1.9300 2.0035 2.0142 2.5442 2.5470 2.8767 2.8768 2.9513 2.9515 3.6836 3.6890 9.8002 9.8021 10.1407 10.1572 11.7267 11.7518 11.7812 11.7845 11.9133 11.9225 k = 0.3000 0.5196-0.0000 ( 4689 PWs) bands (ev): -28.0114 -28.0114 -20.4666 -20.4666 -17.3172 -17.3136 -16.8850 -16.8849 -14.2668 -14.2489 -14.0908 -14.0908 -10.8593 -10.8063 -9.8087 -9.7710 -9.6442 -9.5642 -5.2499 -5.1952 -4.4693 -4.3551 -4.3485 -4.3171 -2.5122 -2.4988 -1.7529 -1.7435 -1.1518 -1.1518 -0.9927 -0.9775 1.5837 1.6265 1.7345 1.7598 1.9283 1.9301 2.0050 2.0153 2.5522 2.5554 2.8751 2.8751 2.9519 2.9521 3.6884 3.6937 9.8060 9.8079 10.1343 10.1504 11.6901 11.7132 11.7537 11.7571 11.9215 11.9294 k = 0.2917 0.5052-0.0000 ( 4687 PWs) bands (ev): -28.0114 -28.0114 -20.4667 -20.4667 -17.3168 -17.3132 -16.8848 -16.8847 -14.2642 -14.2466 -14.0921 -14.0921 -10.8598 -10.8078 -9.8092 -9.7725 -9.6450 -9.5669 -5.2493 -5.1959 -4.4682 -4.3567 -4.3482 -4.3178 -2.5240 -2.5111 -1.7408 -1.7314 -1.1498 -1.1498 -0.9945 -0.9796 1.5849 1.6273 1.7332 1.7585 1.9287 1.9302 2.0077 2.0176 2.5621 2.5656 2.8732 2.8732 2.9524 2.9526 3.6947 3.6999 9.8135 9.8154 10.1249 10.1404 11.6505 11.6713 11.7254 11.7289 11.9246 11.9315 k = 0.2833 0.4907-0.0000 ( 4675 PWs) bands (ev): -28.0114 -28.0114 -20.4668 -20.4667 -17.3162 -17.3127 -16.8847 -16.8846 -14.2610 -14.2438 -14.0936 -14.0935 -10.8603 -10.8097 -9.8099 -9.7744 -9.6461 -9.5702 -5.2487 -5.1967 -4.4668 -4.3584 -4.3480 -4.3186 -2.5385 -2.5261 -1.7263 -1.7168 -1.1474 -1.1474 -0.9965 -0.9821 1.5865 1.6283 1.7316 1.7569 1.9291 1.9303 2.0121 2.0215 2.5734 2.5773 2.8711 2.8711 2.9528 2.9530 3.7024 3.7075 9.8225 9.8244 10.1116 10.1263 11.6110 11.6295 11.6964 11.7000 11.9226 11.9287 k = 0.2750 0.4763-0.0000 ( 4675 PWs) bands (ev): -28.0115 -28.0115 -20.4669 -20.4669 -17.3155 -17.3122 -16.8845 -16.8844 -14.2573 -14.2405 -14.0953 -14.0951 -10.8610 -10.8119 -9.8109 -9.7766 -9.6476 -9.5741 -5.2480 -5.1977 -4.4651 -4.3603 -4.3479 -4.3195 -2.5554 -2.5435 -1.7096 -1.7000 -1.1445 -1.1445 -0.9988 -0.9849 1.5884 1.6295 1.7297 1.7549 1.9297 1.9305 2.0185 2.0273 2.5860 2.5903 2.8690 2.8690 2.9530 2.9532 3.7116 3.7166 9.8330 9.8349 10.0938 10.1076 11.5739 11.5901 11.6668 11.6705 11.9156 11.9210 k = 0.2667 0.4619-0.0000 ( 4677 PWs) bands (ev): -28.0116 -28.0116 -20.4670 -20.4670 -17.3147 -17.3115 -16.8843 -16.8843 -14.2532 -14.2368 -14.0971 -14.0968 -10.8619 -10.8144 -9.8119 -9.7792 -9.6494 -9.5787 -5.2472 -5.1987 -4.4633 -4.3623 -4.3478 -4.3205 -2.5746 -2.5633 -1.6908 -1.6813 -1.1411 -1.1411 -1.0012 -0.9879 1.5904 1.6308 1.7276 1.7528 1.9302 1.9308 2.0271 2.0353 2.5995 2.6043 2.8669 2.8669 2.9529 2.9531 3.7222 3.7271 9.8449 9.8467 10.0708 10.0836 11.5413 11.5553 11.6365 11.6403 11.9038 11.9085 k = 0.2583 0.4474-0.0000 ( 4681 PWs) bands (ev): -28.0116 -28.0116 -20.4671 -20.4671 -17.3138 -17.3107 -16.8841 -16.8840 -14.2485 -14.2327 -14.0990 -14.0986 -10.8630 -10.8173 -9.8132 -9.7820 -9.6517 -9.5839 -5.2462 -5.1998 -4.4612 -4.3643 -4.3477 -4.3216 -2.5959 -2.5852 -1.6703 -1.6609 -1.1372 -1.1372 -1.0038 -0.9912 1.5926 1.6322 1.7254 1.7504 1.9309 1.9311 2.0383 2.0457 2.6139 2.6190 2.8648 2.8648 2.9525 2.9527 3.7342 3.7390 9.8580 9.8599 10.0422 10.0538 11.5145 11.5264 11.6058 11.6097 11.8874 11.8916 k = 0.2500 0.4330-0.0000 ( 4681 PWs) bands (ev): -28.0117 -28.0117 -20.4673 -20.4673 -17.3128 -17.3098 -16.8839 -16.8838 -14.2435 -14.2283 -14.1010 -14.1004 -10.8643 -10.8206 -9.8146 -9.7851 -9.6543 -9.5898 -5.2453 -5.2009 -4.4589 -4.3665 -4.3477 -4.3229 -2.6192 -2.6090 -1.6481 -1.6389 -1.1329 -1.1329 -1.0065 -0.9946 1.5950 1.6336 1.7229 1.7478 1.9316 1.9316 2.0521 2.0588 2.6288 2.6344 2.8629 2.8629 2.9518 2.9520 3.7476 3.7522 9.8724 9.8742 10.0077 10.0179 11.4948 11.5045 11.5746 11.5785 11.8668 11.8705 k = 0.2417 0.4186-0.0000 ( 4693 PWs) bands (ev): -28.0118 -28.0118 -20.4675 -20.4675 -17.3116 -17.3089 -16.8836 -16.8835 -14.2381 -14.2235 -14.1029 -14.1023 -10.8659 -10.8242 -9.8163 -9.7884 -9.6574 -9.5962 -5.2442 -5.2021 -4.4565 -4.3687 -4.3478 -4.3242 -2.6442 -2.6346 -1.6247 -1.6156 -1.1282 -1.1281 -1.0093 -0.9980 1.5975 1.6351 1.7204 1.7451 1.9321 1.9323 2.0687 2.0745 2.6442 2.6501 2.8611 2.8611 2.9508 2.9509 3.7623 3.7668 9.8877 9.8896 9.9671 9.9760 11.4826 11.4903 11.5431 11.5472 11.8423 11.8455 k = 0.2333 0.4041-0.0000 ( 4691 PWs) bands (ev): -28.0119 -28.0119 -20.4677 -20.4677 -17.3104 -17.3078 -16.8833 -16.8832 -14.2323 -14.2184 -14.1048 -14.1041 -10.8676 -10.8281 -9.8181 -9.7920 -9.6610 -9.6033 -5.2431 -5.2034 -4.4539 -4.3708 -4.3478 -4.3256 -2.6707 -2.6617 -1.6000 -1.5912 -1.1230 -1.1229 -1.0120 -1.0016 1.6001 1.6365 1.7178 1.7422 1.9327 1.9330 2.0882 2.0931 2.6598 2.6661 2.8595 2.8596 2.9494 2.9495 3.7783 3.7826 9.9028 9.9057 9.9219 9.9285 11.4784 11.4837 11.5112 11.5159 11.8144 11.8171 k = 0.2250 0.3897-0.0000 ( 4681 PWs) bands (ev): -28.0120 -28.0120 -20.4679 -20.4679 -17.3090 -17.3066 -16.8830 -16.8829 -14.2262 -14.2131 -14.1067 -14.1059 -10.8695 -10.8322 -9.8201 -9.7957 -9.6650 -9.6108 -5.2419 -5.2046 -4.4511 -4.3730 -4.3479 -4.3270 -2.6986 -2.6901 -1.5744 -1.5660 -1.1174 -1.1173 -1.0148 -1.0051 1.6027 1.6378 1.7152 1.7392 1.9334 1.9338 2.1105 2.1144 2.6755 2.6822 2.8582 2.8582 2.9477 2.9478 3.7955 3.7996 9.8676 9.8747 9.9224 9.9236 11.4779 11.4792 11.4822 11.4917 11.7833 11.7857 k = 0.2167 0.3753-0.0000 ( 4685 PWs) bands (ev): -28.0121 -28.0121 -20.4681 -20.4681 -17.3076 -17.3053 -16.8826 -16.8826 -14.2199 -14.2076 -14.1084 -14.1076 -10.8717 -10.8367 -9.8222 -9.7997 -9.6694 -9.6189 -5.2406 -5.2059 -4.4481 -4.3751 -4.3481 -4.3285 -2.7277 -2.7197 -1.5480 -1.5400 -1.1114 -1.1113 -1.0174 -1.0086 1.6052 1.6390 1.7126 1.7360 1.9341 1.9346 2.1356 2.1386 2.6913 2.6983 2.8570 2.8570 2.9456 2.9458 3.8139 3.8178 9.8110 9.8168 9.9400 9.9414 11.4472 11.4494 11.4934 11.4977 11.7496 11.7515 k = 0.2083 0.3608-0.0000 ( 4689 PWs) bands (ev): -28.0123 -28.0123 -20.4684 -20.4684 -17.3060 -17.3039 -16.8823 -16.8822 -14.2134 -14.2019 -14.1100 -14.1093 -10.8741 -10.8415 -9.8245 -9.8037 -9.6743 -9.6274 -5.2393 -5.2071 -4.4450 -4.3771 -4.3482 -4.3300 -2.7577 -2.7503 -1.5210 -1.5134 -1.1051 -1.1050 -1.0200 -1.0119 1.6078 1.6401 1.7100 1.7328 1.9349 1.9354 2.1635 2.1655 2.7070 2.7143 2.8561 2.8561 2.9433 2.9434 3.8332 3.8369 9.7500 9.7547 9.9585 9.9599 11.4152 11.4178 11.5117 11.5143 11.7135 11.7151 k = 0.2000 0.3464-0.0000 ( 4687 PWs) bands (ev): -28.0124 -28.0124 -20.4687 -20.4686 -17.3044 -17.3025 -16.8819 -16.8818 -14.2067 -14.1960 -14.1115 -14.1108 -10.8767 -10.8465 -9.8269 -9.8079 -9.6796 -9.6364 -5.2380 -5.2083 -4.4418 -4.3790 -4.3484 -4.3315 -2.7886 -2.7817 -1.4936 -1.4864 -1.0985 -1.0984 -1.0224 -1.0152 1.6102 1.6410 1.7074 1.7295 1.9357 1.9362 2.1939 2.1949 2.7225 2.7301 2.8555 2.8555 2.9406 2.9408 3.8536 3.8571 9.6856 9.6894 9.9774 9.9788 11.3835 11.3860 11.5365 11.5379 11.6755 11.6768 k = 0.1917 0.3320-0.0000 ( 4695 PWs) bands (ev): -28.0125 -28.0125 -20.4689 -20.4689 -17.3027 -17.3010 -16.8815 -16.8814 -14.1999 -14.1901 -14.1129 -14.1121 -10.8795 -10.8517 -9.8295 -9.8123 -9.6852 -9.6456 -5.2367 -5.2095 -4.4385 -4.3807 -4.3486 -4.3330 -2.8201 -2.8137 -1.4658 -1.4592 -1.0917 -1.0916 -1.0247 -1.0182 1.6126 1.6417 1.7049 1.7261 1.9365 1.9370 2.2267 2.2268 2.7378 2.7455 2.8550 2.8551 2.9377 2.9379 3.8747 3.8780 9.6186 9.6217 9.9966 9.9980 11.3520 11.3545 11.5670 11.5675 11.6362 11.6369 k = 0.1833 0.3175-0.0000 ( 4683 PWs) bands (ev): -28.0127 -28.0127 -20.4692 -20.4692 -17.3010 -17.2994 -16.8811 -16.8810 -14.1931 -14.1841 -14.1140 -14.1133 -10.8825 -10.8571 -9.8322 -9.8166 -9.6912 -9.6552 -5.2353 -5.2106 -4.4350 -4.3823 -4.3488 -4.3345 -2.8520 -2.8461 -1.4379 -1.4318 -1.0847 -1.0846 -1.0268 -1.0210 1.6149 1.6423 1.7025 1.7228 1.9373 1.9378 2.2610 2.2617 2.7527 2.7606 2.8549 2.8549 2.9346 2.9347 3.8966 3.8997 9.5498 9.5522 10.0160 10.0173 11.3210 11.3234 11.5919 11.5956 11.6029 11.6065 k = 0.1750 0.3031-0.0000 ( 4691 PWs) bands (ev): -28.0128 -28.0128 -20.4695 -20.4695 -17.2992 -17.2978 -16.8806 -16.8806 -14.1862 -14.1782 -14.1149 -14.1143 -10.8857 -10.8626 -9.8350 -9.8210 -9.6975 -9.6650 -5.2339 -5.2116 -4.4315 -4.3837 -4.3490 -4.3360 -2.8842 -2.8787 -1.4100 -1.4045 -1.0776 -1.0775 -1.0286 -1.0236 1.6171 1.6426 1.7001 1.7193 1.9382 1.9385 2.2971 2.2987 2.7673 2.7753 2.8550 2.8550 2.9313 2.9314 3.9192 3.9220 9.4799 9.4817 10.0353 10.0365 11.2907 11.2929 11.5529 11.5541 11.6424 11.6445 k = 0.1667 0.2887-0.0000 ( 4695 PWs) bands (ev): -28.0130 -28.0130 -20.4698 -20.4698 -17.2974 -17.2961 -16.8802 -16.8802 -14.1794 -14.1722 -14.1156 -14.1152 -10.8891 -10.8682 -9.8378 -9.8255 -9.7041 -9.6750 -5.2325 -5.2126 -4.4279 -4.3850 -4.3492 -4.3375 -2.9165 -2.9114 -1.3822 -1.3773 -1.0705 -1.0703 -1.0300 -1.0258 1.6192 1.6428 1.6979 1.7159 1.9390 1.9393 2.3349 2.3372 2.7814 2.7895 2.8553 2.8553 2.9278 2.9279 3.9422 3.9448 9.4095 9.4109 10.0544 10.0555 11.2611 11.2632 11.5111 11.5119 11.6862 11.6889 k = 0.1583 0.2742-0.0000 ( 4689 PWs) bands (ev): -28.0131 -28.0131 -20.4701 -20.4701 -17.2955 -17.2944 -16.8797 -16.8797 -14.1727 -14.1664 -14.1161 -14.1158 -10.8925 -10.8740 -9.8407 -9.8298 -9.7109 -9.6851 -5.2311 -5.2135 -4.4243 -4.3860 -4.3494 -4.3389 -2.9486 -2.9440 -1.3547 -1.3504 -1.0635 -1.0634 -1.0311 -1.0275 1.6211 1.6428 1.6959 1.7126 1.9398 1.9401 2.3741 2.3771 2.7951 2.8031 2.8558 2.8558 2.9242 2.9243 3.9656 3.9680 9.3392 9.3403 10.0731 10.0742 11.2324 11.2343 11.4689 11.4695 11.7333 11.7366 k = 0.1500 0.2598-0.0000 ( 4695 PWs) bands (ev): -28.0133 -28.0133 -20.4704 -20.4704 -17.2937 -17.2927 -16.8793 -16.8793 -14.1661 -14.1607 -14.1164 -14.1163 -10.8961 -10.8797 -9.8437 -9.8342 -9.7178 -9.6951 -5.2297 -5.2142 -4.4206 -4.3868 -4.3496 -4.3403 -2.9805 -2.9763 -1.3276 -1.3239 -1.0570 -1.0568 -1.0314 -1.0286 1.6230 1.6426 1.6939 1.7093 1.9405 1.9408 2.4144 2.4179 2.8082 2.8163 2.8565 2.8566 2.9205 2.9206 3.9892 3.9914 9.2697 9.2704 10.0913 10.0923 11.2048 11.2066 11.4269 11.4273 11.7830 11.7869 k = 0.1417 0.2454-0.0000 ( 4687 PWs) bands (ev): -28.0134 -28.0134 -20.4707 -20.4707 -17.2918 -17.2909 -16.8788 -16.8788 -14.1596 -14.1551 -14.1165 -14.1164 -10.8998 -10.8855 -9.8467 -9.8385 -9.7248 -9.7051 -5.2284 -5.2149 -4.4169 -4.3873 -4.3498 -4.3416 -3.0119 -3.0082 -1.3011 -1.2979 -1.0515 -1.0511 -1.0306 -1.0285 1.6247 1.6423 1.6922 1.7061 1.9413 1.9415 2.4554 2.4594 2.8208 2.8288 2.8574 2.8575 2.9168 2.9168 4.0129 4.0149 9.2013 9.2018 10.1089 10.1098 11.1783 11.1800 11.3853 11.3856 11.8345 11.8390 k = 0.1333 0.2309-0.0000 ( 4693 PWs) bands (ev): -28.0136 -28.0136 -20.4710 -20.4710 -17.2899 -17.2892 -16.8784 -16.8784 -14.1534 -14.1498 -14.1166 -14.1163 -10.9036 -10.8912 -9.8496 -9.8427 -9.7319 -9.7150 -5.2270 -5.2155 -4.4132 -4.3877 -4.3499 -4.3429 -3.0427 -3.0394 -1.2752 -1.2726 -1.0477 -1.0471 -1.0281 -1.0267 1.6262 1.6418 1.6906 1.7030 1.9419 1.9422 2.4967 2.5012 2.8328 2.8407 2.8585 2.8586 2.9130 2.9131 4.0365 4.0383 9.1345 9.1349 10.1257 10.1265 11.1532 11.1547 11.3445 11.3447 11.8870 11.8920 k = 0.1250 0.2165-0.0000 ( 4695 PWs) bands (ev): -28.0137 -28.0137 -20.4713 -20.4713 -17.2881 -17.2875 -16.8780 -16.8780 -14.1475 -14.1447 -14.1164 -14.1159 -10.9074 -10.8968 -9.8526 -9.8467 -9.7390 -9.7247 -5.2258 -5.2160 -4.4096 -4.3878 -4.3501 -4.3440 -3.0727 -3.0698 -1.2502 -1.2481 -1.0456 -1.0449 -1.0236 -1.0228 1.6276 1.6412 1.6891 1.7001 1.9426 1.9428 2.5381 2.5428 2.8441 2.8519 2.8597 2.8600 2.9092 2.9093 4.0599 4.0614 9.0698 9.0700 10.1415 10.1422 11.1296 11.1309 11.3047 11.3049 11.9392 11.9449 k = 0.1167 0.2021-0.0000 ( 4691 PWs) bands (ev): -28.0139 -28.0139 -20.4716 -20.4716 -17.2864 -17.2859 -16.8775 -16.8775 -14.1418 -14.1398 -14.1161 -14.1153 -10.9112 -10.9023 -9.8555 -9.8506 -9.7460 -9.7340 -5.2245 -5.2164 -4.4060 -4.3877 -4.3503 -4.3451 -3.1017 -3.0992 -1.2262 -1.2245 -1.0447 -1.0442 -1.0180 -1.0174 1.6288 1.6404 1.6879 1.6973 1.9432 1.9434 2.5791 2.5840 2.8545 2.8607 2.8617 2.8628 2.9055 2.9056 4.0829 4.0842 9.0075 9.0076 10.1564 10.1570 11.1075 11.1086 11.2662 11.2663 11.9901 11.9964 k = 0.1083 0.1876-0.0000 ( 4691 PWs) bands (ev): -28.0140 -28.0140 -20.4718 -20.4718 -17.2846 -17.2842 -16.8771 -16.8771 -14.1365 -14.1352 -14.1157 -14.1146 -10.9150 -10.9077 -9.8583 -9.8544 -9.7529 -9.7431 -5.2234 -5.2167 -4.4026 -4.3874 -4.3504 -4.3461 -3.1295 -3.1274 -1.2032 -1.2020 -1.0444 -1.0440 -1.0118 -1.0114 1.6299 1.6396 1.6868 1.6947 1.9438 1.9440 2.6193 2.6244 2.8612 2.8623 2.8667 2.8726 2.9019 2.9020 4.1054 4.1064 8.9479 8.9480 10.1701 10.1706 11.0871 11.0880 11.2293 11.2294 12.0383 12.0451 k = 0.1000 0.1732-0.0000 ( 4697 PWs) bands (ev): -28.0142 -28.0142 -20.4721 -20.4721 -17.2830 -17.2827 -16.8767 -16.8767 -14.1315 -14.1309 -14.1150 -14.1137 -10.9187 -10.9128 -9.8611 -9.8579 -9.7596 -9.7517 -5.2223 -5.2169 -4.3992 -4.3869 -4.3505 -4.3470 -3.1561 -3.1544 -1.1815 -1.1807 -1.0443 -1.0442 -1.0055 -1.0053 1.6308 1.6387 1.6859 1.6924 1.9444 1.9445 2.6584 2.6634 2.8634 2.8638 2.8757 2.8819 2.8984 2.8985 4.1270 4.1279 8.8914 8.8914 10.1826 10.1830 11.0683 11.0691 11.1942 11.1942 12.0826 12.0897 k = 0.0917 0.1588-0.0000 ( 4699 PWs) bands (ev): -28.0143 -28.0143 -20.4724 -20.4724 -17.2814 -17.2812 -16.8763 -16.8763 -14.1270 -14.1269 -14.1143 -14.1128 -10.9223 -10.9176 -9.8637 -9.8612 -9.7660 -9.7598 -5.2213 -5.2171 -4.3960 -4.3862 -4.3506 -4.3478 -3.1813 -3.1798 -1.1612 -1.1607 -1.0443 -1.0443 -0.9994 -0.9992 1.6314 1.6378 1.6851 1.6903 1.9449 1.9450 2.6959 2.7009 2.8650 2.8653 2.8846 2.8904 2.8952 2.8953 4.1478 4.1485 8.8382 8.8382 10.1939 10.1942 11.0513 11.0520 11.1611 11.1611 12.1221 12.1291 k = 0.0833 0.1443-0.0000 ( 4697 PWs) bands (ev): -28.0144 -28.0144 -20.4726 -20.4726 -17.2800 -17.2798 -16.8760 -16.8760 -14.1234 -14.1227 -14.1135 -14.1117 -10.9257 -10.9221 -9.8662 -9.8643 -9.7721 -9.7674 -5.2203 -5.2171 -4.3930 -4.3854 -4.3507 -4.3485 -3.2048 -3.2037 -1.1423 -1.1421 -1.0444 -1.0442 -0.9934 -0.9933 1.6319 1.6368 1.6845 1.6885 1.9454 1.9454 2.7315 2.7362 2.8665 2.8667 2.8914 2.8917 2.8937 2.8989 4.1675 4.1680 8.7887 8.7887 10.2039 10.2042 11.0360 11.0366 11.1302 11.1303 12.1567 12.1632 k = 0.0750 0.1299-0.0000 ( 4701 PWs) bands (ev): -28.0145 -28.0145 -20.4728 -20.4728 -17.2786 -17.2785 -16.8756 -16.8756 -14.1201 -14.1190 -14.1125 -14.1106 -10.9290 -10.9263 -9.8685 -9.8671 -9.7779 -9.7744 -5.2195 -5.2171 -4.3902 -4.3846 -4.3508 -4.3491 -3.2266 -3.2257 -1.1251 -1.1250 -1.0443 -1.0440 -0.9879 -0.9877 1.6322 1.6359 1.6839 1.6870 1.9458 1.9458 2.7647 2.7691 2.8680 2.8681 2.8888 2.8889 2.9013 2.9064 4.1859 4.1863 8.7430 8.7430 10.2127 10.2129 11.0224 11.0228 11.1018 11.1019 12.1868 12.1926 k = 0.0667 0.1155-0.0000 ( 4691 PWs) bands (ev): -28.0146 -28.0146 -20.4730 -20.4730 -17.2774 -17.2773 -16.8753 -16.8753 -14.1172 -14.1156 -14.1116 -14.1094 -10.9321 -10.9302 -9.8707 -9.8697 -9.7832 -9.7807 -5.2187 -5.2170 -4.3877 -4.3836 -4.3508 -4.3496 -3.2465 -3.2459 -1.1097 -1.1096 -1.0439 -1.0436 -0.9827 -0.9826 1.6324 1.6350 1.6835 1.6857 1.9461 1.9462 2.7951 2.7991 2.8694 2.8695 2.8862 2.8862 2.9090 2.9134 4.2029 4.2032 8.7015 8.7015 10.2202 10.2204 11.0105 11.0108 11.0760 11.0761 12.2134 12.2182 k = 0.0583 0.1010-0.0000 ( 4699 PWs) bands (ev): -28.0147 -28.0147 -20.4732 -20.4732 -17.2763 -17.2762 -16.8751 -16.8751 -14.1146 -14.1128 -14.1106 -14.1083 -10.9349 -10.9336 -9.8727 -9.8720 -9.7881 -9.7864 -5.2181 -5.2169 -4.3854 -4.3826 -4.3509 -4.3500 -3.2644 -3.2640 -1.0963 -1.0961 -1.0434 -1.0430 -0.9780 -0.9779 1.6324 1.6341 1.6832 1.6847 1.9464 1.9465 2.8223 2.8257 2.8707 2.8708 2.8837 2.8838 2.9164 2.9202 4.2183 4.2185 8.6643 8.6643 10.2266 10.2267 11.0000 11.0003 11.0531 11.0532 12.2371 12.2411 k = 0.0500 0.0866-0.0000 ( 4701 PWs) bands (ev): -28.0148 -28.0148 -20.4734 -20.4734 -17.2753 -17.2752 -16.8748 -16.8748 -14.1123 -14.1104 -14.1095 -14.1073 -10.9375 -10.9366 -9.8745 -9.8740 -9.7924 -9.7913 -5.2175 -5.2168 -4.3834 -4.3816 -4.3509 -4.3504 -3.2802 -3.2799 -1.0849 -1.0846 -1.0424 -1.0420 -0.9738 -0.9737 1.6322 1.6334 1.6829 1.6839 1.9467 1.9467 2.8458 2.8486 2.8718 2.8719 2.8816 2.8816 2.9237 2.9267 4.2320 4.2322 8.6317 8.6317 10.2319 10.2320 10.9909 10.9911 11.0332 11.0333 12.2587 12.2618 k = 0.0417 0.0722-0.0000 ( 4697 PWs) bands (ev): -28.0149 -28.0149 -20.4735 -20.4735 -17.2744 -17.2744 -16.8746 -16.8746 -14.1104 -14.1090 -14.1080 -14.1063 -10.9397 -10.9392 -9.8760 -9.8757 -9.7962 -9.7955 -5.2171 -5.2166 -4.3818 -4.3807 -4.3509 -4.3506 -3.2938 -3.2936 -1.0756 -1.0754 -1.0410 -1.0407 -0.9701 -0.9701 1.6321 1.6327 1.6827 1.6833 1.9470 1.9470 2.8652 2.8672 2.8729 2.8730 2.8797 2.8797 2.9310 2.9331 4.2438 4.2439 8.6038 8.6038 10.2362 10.2363 10.9831 10.9832 11.0166 11.0166 12.2783 12.2806 k = 0.0333 0.0577-0.0000 ( 4705 PWs) bands (ev): -28.0150 -28.0150 -20.4736 -20.4736 -17.2737 -17.2737 -16.8744 -16.8744 -14.1089 -14.1081 -14.1065 -14.1055 -10.9416 -10.9413 -9.8773 -9.8772 -9.7993 -9.7990 -5.2167 -5.2165 -4.3804 -4.3799 -4.3509 -4.3508 -3.3050 -3.3049 -1.0687 -1.0685 -1.0391 -1.0389 -0.9671 -0.9671 1.6318 1.6322 1.6825 1.6828 1.9472 1.9472 2.8736 2.8737 2.8779 2.8781 2.8807 2.8817 2.9383 2.9395 4.2537 4.2537 8.5807 8.5807 10.2396 10.2396 10.9762 10.9763 11.0034 11.0034 12.2957 12.2972 k = 0.0250 0.0433-0.0000 ( 4697 PWs) bands (ev): -28.0150 -28.0150 -20.4737 -20.4737 -17.2732 -17.2732 -16.8743 -16.8743 -14.1077 -14.1073 -14.1053 -14.1049 -10.9431 -10.9430 -9.8783 -9.8782 -9.8018 -9.8017 -5.2164 -5.2163 -4.3794 -4.3792 -4.3509 -4.3509 -3.3138 -3.3138 -1.0640 -1.0639 -1.0369 -1.0368 -0.9647 -0.9647 1.6316 1.6317 1.6824 1.6825 1.9473 1.9473 2.8744 2.8744 2.8769 2.8769 2.8913 2.8919 2.9451 2.9457 4.2615 4.2615 8.5626 8.5626 10.2421 10.2421 10.9703 10.9703 10.9938 10.9938 12.3100 12.3109 k = 0.0167 0.0289-0.0000 ( 4701 PWs) bands (ev): -28.0150 -28.0150 -20.4738 -20.4738 -17.2728 -17.2728 -16.8742 -16.8742 -14.1069 -14.1068 -14.1045 -14.1043 -10.9442 -10.9441 -9.8790 -9.8790 -9.8036 -9.8036 -5.2162 -5.2162 -4.3787 -4.3786 -4.3509 -4.3509 -3.3202 -3.3202 -1.0611 -1.0610 -1.0348 -1.0348 -0.9630 -0.9630 1.6314 1.6314 1.6823 1.6823 1.9474 1.9474 2.8749 2.8749 2.8760 2.8760 2.8984 2.8986 2.9507 2.9508 4.2671 4.2671 8.5497 8.5497 10.2438 10.2438 10.9656 10.9656 10.9874 10.9874 12.3196 12.3199 k = 0.0083 0.0144-0.0000 ( 4697 PWs) bands (ev): -28.0151 -28.0151 -20.4738 -20.4738 -17.2725 -17.2725 -16.8741 -16.8741 -14.1064 -14.1064 -14.1040 -14.1040 -10.9449 -10.9448 -9.8795 -9.8795 -9.8048 -9.8047 -5.2161 -5.2161 -4.3783 -4.3783 -4.3509 -4.3509 -3.3240 -3.3240 -1.0595 -1.0595 -1.0334 -1.0334 -0.9619 -0.9619 1.6313 1.6313 1.6823 1.6823 1.9475 1.9475 2.8752 2.8752 2.8755 2.8755 2.9023 2.9023 2.9543 2.9543 4.2705 4.2705 8.5418 8.5418 10.2449 10.2449 10.9624 10.9624 10.9839 10.9839 12.3235 12.3235 k = 0.0000 0.0000 0.0000 ( 4689 PWs) bands (ev): -28.0151 -28.0151 -20.4738 -20.4738 -17.2724 -17.2724 -16.8741 -16.8741 -14.1063 -14.1063 -14.1039 -14.1039 -10.9451 -10.9451 -9.8796 -9.8796 -9.8051 -9.8051 -5.2161 -5.2161 -4.3782 -4.3782 -4.3509 -4.3509 -3.3253 -3.3253 -1.0591 -1.0591 -1.0329 -1.0329 -0.9615 -0.9615 1.6312 1.6312 1.6822 1.6822 1.9475 1.9475 2.8752 2.8752 2.8754 2.8754 2.9035 2.9035 2.9556 2.9556 4.2716 4.2716 8.5392 8.5392 10.2452 10.2452 10.9613 10.9613 10.9828 10.9828 12.3241 12.3241 k = 0.0000 0.0000 0.0000 ( 4689 PWs) bands (ev): -28.0151 -28.0151 -20.4738 -20.4738 -17.2724 -17.2724 -16.8741 -16.8741 -14.1063 -14.1063 -14.1039 -14.1039 -10.9451 -10.9451 -9.8796 -9.8796 -9.8051 -9.8051 -5.2161 -5.2161 -4.3782 -4.3782 -4.3509 -4.3509 -3.3253 -3.3253 -1.0591 -1.0591 -1.0329 -1.0329 -0.9615 -0.9615 1.6312 1.6312 1.6822 1.6822 1.9475 1.9475 2.8752 2.8752 2.8754 2.8754 2.9035 2.9035 2.9556 2.9556 4.2716 4.2716 8.5392 8.5392 10.2452 10.2452 10.9613 10.9613 10.9828 10.9828 12.3241 12.3241 k = 0.0000 0.0000 0.0168 ( 4701 PWs) bands (ev): -28.0150 -28.0150 -20.4738 -20.4738 -17.2725 -17.2725 -16.8745 -16.8745 -14.1062 -14.1062 -14.1039 -14.1039 -10.9446 -10.9446 -9.8789 -9.8789 -9.8051 -9.8051 -5.2164 -5.2164 -4.3782 -4.3782 -4.3522 -4.3522 -3.3233 -3.3233 -1.0593 -1.0593 -1.0331 -1.0331 -0.9621 -0.9621 1.6309 1.6309 1.6819 1.6819 1.9448 1.9448 2.8755 2.8755 2.8756 2.8758 2.9035 2.9035 2.9555 2.9556 4.2716 4.2716 8.5419 8.5419 10.2439 10.2439 10.9616 10.9616 10.9827 10.9833 12.3229 12.3256 k = 0.0000 0.0000 0.0335 ( 4701 PWs) bands (ev): -28.0150 -28.0150 -20.4738 -20.4738 -17.2725 -17.2725 -16.8758 -16.8758 -14.1062 -14.1062 -14.1038 -14.1038 -10.9433 -10.9433 -9.8766 -9.8766 -9.8050 -9.8050 -5.2172 -5.2172 -4.3783 -4.3782 -4.3560 -4.3560 -3.3173 -3.3173 -1.0599 -1.0599 -1.0338 -1.0337 -0.9638 -0.9638 1.6300 1.6300 1.6810 1.6810 1.9368 1.9368 2.8763 2.8763 2.8764 2.8769 2.9034 2.9034 2.9554 2.9557 4.2716 4.2716 8.5499 8.5499 10.2402 10.2402 10.9625 10.9625 10.9832 10.9844 12.3221 12.3274 k = 0.0000 0.0000 0.0503 ( 4707 PWs) bands (ev): -28.0149 -28.0149 -20.4737 -20.4737 -17.2727 -17.2727 -16.8779 -16.8779 -14.1062 -14.1062 -14.1038 -14.1038 -10.9411 -10.9411 -9.8727 -9.8727 -9.8049 -9.8049 -5.2186 -5.2186 -4.3784 -4.3783 -4.3622 -4.3622 -3.3076 -3.3076 -1.0609 -1.0609 -1.0350 -1.0348 -0.9665 -0.9665 1.6286 1.6286 1.6794 1.6794 1.9235 1.9235 2.8776 2.8776 2.8779 2.8786 2.9033 2.9033 2.9552 2.9556 4.2716 4.2716 8.5633 8.5633 10.2340 10.2340 10.9640 10.9640 10.9843 10.9861 12.3213 12.3292 k = 0.0000 0.0000 0.0671 ( 4713 PWs) bands (ev): -28.0147 -28.0147 -20.4736 -20.4736 -17.2728 -17.2728 -16.8809 -16.8809 -14.1061 -14.1061 -14.1037 -14.1037 -10.9380 -10.9380 -9.8673 -9.8673 -9.8047 -9.8047 -5.2205 -5.2205 -4.3786 -4.3785 -4.3706 -4.3706 -3.2942 -3.2942 -1.0623 -1.0623 -1.0365 -1.0363 -0.9704 -0.9704 1.6265 1.6265 1.6772 1.6772 1.9051 1.9051 2.8794 2.8794 2.8800 2.8810 2.9032 2.9032 2.9550 2.9556 4.2717 4.2717 8.5818 8.5818 10.2254 10.2254 10.9660 10.9660 10.9859 10.9883 12.3205 12.3307 k = 0.0000 0.0000 0.0838 ( 4737 PWs) bands (ev): -28.0146 -28.0146 -20.4734 -20.4734 -17.2731 -17.2731 -16.8846 -16.8846 -14.1061 -14.1061 -14.1037 -14.1037 -10.9342 -10.9342 -9.8604 -9.8604 -9.8045 -9.8045 -5.2229 -5.2229 -4.3809 -4.3809 -4.3788 -4.3787 -3.2774 -3.2774 -1.0641 -1.0641 -1.0385 -1.0382 -0.9753 -0.9753 1.6239 1.6239 1.6744 1.6744 1.8818 1.8818 2.8817 2.8817 2.8827 2.8839 2.9032 2.9032 2.9547 2.9555 4.2717 4.2717 8.6055 8.6055 10.2147 10.2147 10.9687 10.9687 10.9882 10.9911 12.3192 12.3316 k = 0.0000 0.0000 0.1006 ( 4737 PWs) bands (ev): -28.0144 -28.0144 -20.4732 -20.4732 -17.2733 -17.2733 -16.8891 -16.8891 -14.1060 -14.1060 -14.1036 -14.1036 -10.9296 -10.9296 -9.8520 -9.8520 -9.8042 -9.8042 -5.2258 -5.2258 -4.3929 -4.3929 -4.3790 -4.3789 -3.2577 -3.2577 -1.0662 -1.0662 -1.0409 -1.0405 -0.9812 -0.9812 1.6208 1.6208 1.6711 1.6711 1.8539 1.8539 2.8843 2.8843 2.8859 2.8874 2.9032 2.9032 2.9545 2.9554 4.2718 4.2718 8.6342 8.6342 10.2020 10.2020 10.9722 10.9722 10.9911 10.9945 12.3173 12.3315 k = 0.0000 0.0000 0.1174 ( 4719 PWs) bands (ev): -28.0141 -28.0141 -20.4730 -20.4730 -17.2736 -17.2736 -16.8942 -16.8942 -14.1059 -14.1059 -14.1035 -14.1035 -10.9244 -10.9244 -9.8422 -9.8422 -9.8039 -9.8038 -5.2292 -5.2292 -4.4063 -4.4063 -4.3793 -4.3792 -3.2353 -3.2353 -1.0687 -1.0687 -1.0436 -1.0432 -0.9880 -0.9880 1.6172 1.6172 1.6672 1.6673 1.8216 1.8216 2.8871 2.8871 2.8896 2.8914 2.9034 2.9034 2.9542 2.9554 4.2719 4.2719 8.6678 8.6678 10.1876 10.1876 10.9763 10.9763 10.9947 10.9986 12.3142 12.3301 k = 0.0000 0.0000 0.1341 ( 4695 PWs) bands (ev): -28.0138 -28.0138 -20.4727 -20.4727 -17.2740 -17.2740 -16.9000 -16.9000 -14.1057 -14.1057 -14.1034 -14.1034 -10.9186 -10.9186 -9.8310 -9.8310 -9.8035 -9.8035 -5.2331 -5.2331 -4.4207 -4.4207 -4.3796 -4.3795 -3.2105 -3.2105 -1.0716 -1.0716 -1.0467 -1.0463 -0.9958 -0.9958 1.6131 1.6131 1.6629 1.6629 1.7855 1.7855 2.8899 2.8899 2.8938 2.8959 2.9041 2.9041 2.9539 2.9553 4.2720 4.2720 8.7060 8.7060 10.1715 10.1715 10.9812 10.9812 10.9991 11.0035 12.3098 12.3269 k = 0.0000 0.0000 0.1509 ( 4701 PWs) bands (ev): -28.0135 -28.0135 -20.4724 -20.4724 -17.2743 -17.2743 -16.9065 -16.9065 -14.1056 -14.1056 -14.1032 -14.1032 -10.9123 -10.9123 -9.8185 -9.8185 -9.8030 -9.8030 -5.2375 -5.2375 -4.4359 -4.4359 -4.3800 -4.3799 -3.1838 -3.1838 -1.0748 -1.0748 -1.0501 -1.0496 -1.0044 -1.0044 1.6085 1.6085 1.6581 1.6581 1.7458 1.7458 2.8923 2.8923 2.8984 2.9008 2.9055 2.9055 2.9536 2.9552 4.2721 4.2721 8.7486 8.7486 10.1542 10.1542 10.9869 10.9869 11.0043 11.0091 12.3038 12.3219 k = 0.0000 0.0000 0.1676 ( 4701 PWs) bands (ev): -28.0132 -28.0132 -20.4721 -20.4721 -17.2747 -17.2747 -16.9134 -16.9134 -14.1055 -14.1055 -14.1031 -14.1031 -10.9056 -10.9056 -9.8047 -9.8047 -9.8026 -9.8026 -5.2423 -5.2423 -4.4516 -4.4516 -4.3804 -4.3803 -3.1555 -3.1555 -1.0783 -1.0783 -1.0538 -1.0532 -1.0137 -1.0137 1.6033 1.6033 1.6529 1.6530 1.7030 1.7030 2.8939 2.8939 2.9034 2.9061 2.9080 2.9080 2.9532 2.9552 4.2722 4.2722 8.7955 8.7955 10.1359 10.1359 10.9934 10.9934 11.0104 11.0155 12.2960 12.3148 k = 0.0000 0.0000 0.1844 ( 4683 PWs) bands (ev): -28.0128 -28.0128 -20.4718 -20.4718 -17.2752 -17.2752 -16.9208 -16.9208 -14.1053 -14.1053 -14.1029 -14.1029 -10.8986 -10.8986 -9.8021 -9.8021 -9.7897 -9.7897 -5.2475 -5.2475 -4.4675 -4.4675 -4.3808 -4.3807 -3.1259 -3.1259 -1.0821 -1.0821 -1.0577 -1.0571 -1.0237 -1.0237 1.5972 1.5972 1.6474 1.6474 1.6581 1.6581 2.8947 2.8947 2.9086 2.9117 2.9117 2.9118 2.9529 2.9553 4.2723 4.2723 8.8463 8.8463 10.1169 10.1169 11.0007 11.0007 11.0173 11.0227 12.2865 12.3056 k = 0.0000 0.0000 0.2012 ( 4689 PWs) bands (ev): -28.0124 -28.0124 -20.4715 -20.4715 -17.2756 -17.2756 -16.9285 -16.9285 -14.1051 -14.1051 -14.1028 -14.1028 -10.8913 -10.8913 -9.8016 -9.8016 -9.7737 -9.7737 -5.2531 -5.2531 -4.4835 -4.4835 -4.3813 -4.3811 -3.0952 -3.0952 -1.0863 -1.0863 -1.0618 -1.0612 -1.0343 -1.0343 1.5873 1.5873 1.6143 1.6143 1.6416 1.6416 2.8950 2.8950 2.9140 2.9161 2.9161 2.9176 2.9526 2.9554 4.2724 4.2724 8.9008 8.9008 10.0974 10.0974 11.0090 11.0090 11.0250 11.0308 12.2750 12.2944 k = 0.0000 0.0000 0.2179 ( 4700 PWs) bands (ev): -28.0120 -28.0120 -20.4711 -20.4711 -17.2761 -17.2761 -16.9366 -16.9366 -14.1049 -14.1049 -14.1026 -14.1026 -10.8840 -10.8840 -9.8010 -9.8010 -9.7567 -9.7567 -5.2590 -5.2590 -4.4993 -4.4993 -4.3817 -4.3816 -3.0639 -3.0639 -1.0909 -1.0909 -1.0661 -1.0655 -1.0451 -1.0451 1.5534 1.5534 1.5926 1.5926 1.6355 1.6355 2.8949 2.8949 2.9194 2.9211 2.9211 2.9237 2.9524 2.9558 4.2725 4.2725 8.9586 8.9586 10.0779 10.0779 11.0181 11.0181 11.0337 11.0398 12.2618 12.2811 k = 0.0000 0.0000 0.2347 ( 4688 PWs) bands (ev): -28.0116 -28.0116 -20.4707 -20.4707 -17.2766 -17.2766 -16.9450 -16.9450 -14.1048 -14.1048 -14.1024 -14.1024 -10.8766 -10.8766 -9.8005 -9.8005 -9.7389 -9.7389 -5.2652 -5.2652 -4.5148 -4.5148 -4.3822 -4.3820 -3.0321 -3.0321 -1.0959 -1.0959 -1.0705 -1.0699 -1.0562 -1.0562 1.5041 1.5041 1.5846 1.5846 1.6292 1.6292 2.8946 2.8946 2.9247 2.9264 2.9264 2.9297 2.9524 2.9565 4.2727 4.2727 9.0193 9.0193 10.0585 10.0585 11.0280 11.0280 11.0434 11.0497 12.2470 12.2661 k = 0.0000 0.0000 0.2515 ( 4688 PWs) bands (ev): -28.0111 -28.0111 -20.4704 -20.4704 -17.2771 -17.2771 -16.9534 -16.9534 -14.1046 -14.1046 -14.1023 -14.1023 -10.8692 -10.8692 -9.7999 -9.7999 -9.7204 -9.7204 -5.2716 -5.2716 -4.5299 -4.5299 -4.3827 -4.3825 -3.0002 -3.0002 -1.1017 -1.1017 -1.0750 -1.0744 -1.0670 -1.0670 1.4524 1.4524 1.5780 1.5780 1.6228 1.6228 2.8942 2.8942 2.9297 2.9319 2.9319 2.9356 2.9526 2.9576 4.2728 4.2728 9.0826 9.0826 10.0398 10.0398 11.0389 11.0389 11.0538 11.0604 12.2305 12.2494 k = 0.0000 0.0000 0.2682 ( 4688 PWs) bands (ev): -28.0107 -28.0107 -20.4700 -20.4700 -17.2776 -17.2776 -16.9620 -16.9620 -14.1044 -14.1044 -14.1021 -14.1021 -10.8619 -10.8619 -9.7993 -9.7993 -9.7013 -9.7013 -5.2782 -5.2782 -4.5444 -4.5444 -4.3832 -4.3830 -2.9683 -2.9683 -1.1084 -1.1084 -1.0795 -1.0789 -1.0772 -1.0772 1.4000 1.4000 1.5717 1.5717 1.6163 1.6164 2.8938 2.8938 2.9340 2.9376 2.9376 2.9408 2.9536 2.9594 4.2729 4.2729 9.1478 9.1478 10.0221 10.0221 11.0505 11.0505 11.0652 11.0719 12.2127 12.2312 k = 0.0000 0.0000 0.2850 ( 4694 PWs) bands (ev): -28.0103 -28.0103 -20.4696 -20.4696 -17.2782 -17.2782 -16.9706 -16.9706 -14.1042 -14.1042 -14.1019 -14.1019 -10.8548 -10.8548 -9.7988 -9.7988 -9.6819 -9.6819 -5.2848 -5.2848 -4.5583 -4.5583 -4.3837 -4.3835 -2.9367 -2.9367 -1.1164 -1.1164 -1.0864 -1.0864 -1.0841 -1.0834 1.3475 1.3475 1.5656 1.5656 1.6099 1.6099 2.8933 2.8933 2.9375 2.9433 2.9433 2.9444 2.9562 2.9621 4.2731 4.2731 9.2143 9.2143 10.0060 10.0060 11.0629 11.0629 11.0774 11.0842 12.1937 12.2117 k = 0.0000 0.0000 0.3018 ( 4694 PWs) bands (ev): -28.0099 -28.0099 -20.4692 -20.4692 -17.2787 -17.2787 -16.9790 -16.9790 -14.1040 -14.1040 -14.1017 -14.1017 -10.8480 -10.8480 -9.7982 -9.7982 -9.6623 -9.6623 -5.2916 -5.2916 -4.5715 -4.5715 -4.3842 -4.3840 -2.9057 -2.9057 -1.1260 -1.1260 -1.0941 -1.0941 -1.0886 -1.0879 1.2954 1.2954 1.5595 1.5595 1.6034 1.6034 2.8928 2.8928 2.9401 2.9460 2.9490 2.9490 2.9607 2.9657 4.2732 4.2732 9.2813 9.2813 9.9921 9.9921 11.0761 11.0761 11.0903 11.0972 12.1738 12.1911 k = 0.0000 0.0000 0.3185 ( 4694 PWs) bands (ev): -28.0094 -28.0094 -20.4688 -20.4688 -17.2792 -17.2792 -16.9874 -16.9874 -14.1038 -14.1038 -14.1016 -14.1016 -10.8414 -10.8414 -9.7976 -9.7976 -9.6427 -9.6427 -5.2983 -5.2983 -4.5839 -4.5839 -4.3847 -4.3845 -2.8754 -2.8754 -1.1367 -1.1367 -1.1006 -1.1006 -1.0930 -1.0924 1.2443 1.2443 1.5536 1.5536 1.5971 1.5971 2.8923 2.8923 2.9418 2.9466 2.9547 2.9547 2.9661 2.9700 4.2733 4.2733 9.3478 9.3478 9.9812 9.9812 11.0898 11.0898 11.1040 11.1109 12.1530 12.1698 k = 0.0000 0.0000 0.3353 ( 4694 PWs) bands (ev): -28.0090 -28.0090 -20.4685 -20.4685 -17.2797 -17.2797 -16.9955 -16.9955 -14.1037 -14.1037 -14.1014 -14.1014 -10.8351 -10.8351 -9.7971 -9.7971 -9.6233 -9.6233 -5.3049 -5.3049 -4.5954 -4.5954 -4.3852 -4.3850 -2.8460 -2.8460 -1.1482 -1.1482 -1.1060 -1.1060 -1.0973 -1.0967 1.1945 1.1945 1.5478 1.5478 1.5909 1.5909 2.8918 2.8918 2.9428 2.9467 2.9601 2.9601 2.9719 2.9748 4.2735 4.2735 9.4122 9.4122 9.9746 9.9746 11.1041 11.1041 11.1182 11.1251 12.1317 12.1478 k = 0.0000 0.0000 0.3521 ( 4700 PWs) bands (ev): -28.0086 -28.0086 -20.4681 -20.4681 -17.2802 -17.2802 -17.0033 -17.0033 -14.1035 -14.1035 -14.1012 -14.1012 -10.8292 -10.8292 -9.7965 -9.7965 -9.6043 -9.6043 -5.3114 -5.3114 -4.6061 -4.6061 -4.3856 -4.3855 -2.8178 -2.8178 -1.1600 -1.1600 -1.1108 -1.1108 -1.1014 -1.1008 1.1466 1.1466 1.5422 1.5422 1.5849 1.5850 2.8914 2.8914 2.9435 2.9466 2.9654 2.9654 2.9776 2.9799 4.2736 4.2736 9.4727 9.4727 9.9737 9.9737 11.1187 11.1187 11.1328 11.1398 12.1101 12.1254 k = 0.0000 0.0000 0.3688 ( 4700 PWs) bands (ev): -28.0082 -28.0082 -20.4678 -20.4678 -17.2806 -17.2806 -17.0107 -17.0107 -14.1033 -14.1033 -14.1011 -14.1011 -10.8237 -10.8237 -9.7960 -9.7960 -9.5858 -9.5858 -5.3177 -5.3177 -4.6160 -4.6160 -4.3861 -4.3859 -2.7909 -2.7909 -1.1719 -1.1719 -1.1151 -1.1151 -1.1054 -1.1048 1.1009 1.1009 1.5369 1.5369 1.5792 1.5793 2.8909 2.8909 2.9439 2.9464 2.9705 2.9705 2.9832 2.9849 4.2737 4.2737 9.5270 9.5270 9.9805 9.9805 11.1336 11.1336 11.1478 11.1546 12.0884 12.1029 k = 0.0000 0.0000 0.3856 ( 4700 PWs) bands (ev): -28.0079 -28.0079 -20.4674 -20.4674 -17.2811 -17.2811 -17.0177 -17.0177 -14.1032 -14.1032 -14.1009 -14.1009 -10.8186 -10.8186 -9.7955 -9.7955 -9.5682 -9.5682 -5.3237 -5.3237 -4.6250 -4.6250 -4.3865 -4.3864 -2.7656 -2.7656 -1.1834 -1.1834 -1.1189 -1.1189 -1.1091 -1.1086 1.0579 1.0579 1.5319 1.5319 1.5739 1.5739 2.8905 2.8905 2.9441 2.9462 2.9753 2.9753 2.9885 2.9898 4.2738 4.2738 9.5725 9.5725 9.9968 9.9968 11.1486 11.1486 11.1630 11.1696 12.0670 12.0806 k = 0.0000 0.0000 0.4024 ( 4700 PWs) bands (ev): -28.0075 -28.0075 -20.4671 -20.4671 -17.2815 -17.2815 -17.0243 -17.0243 -14.1030 -14.1030 -14.1008 -14.1008 -10.8140 -10.8140 -9.7951 -9.7951 -9.5515 -9.5515 -5.3293 -5.3293 -4.6331 -4.6331 -4.3869 -4.3868 -2.7419 -2.7419 -1.1945 -1.1945 -1.1224 -1.1224 -1.1126 -1.1121 1.0177 1.0177 1.5272 1.5272 1.5688 1.5689 2.8901 2.8901 2.9443 2.9460 2.9798 2.9798 2.9935 2.9945 4.2739 4.2739 9.6076 9.6076 10.0237 10.0237 11.1634 11.1634 11.1780 11.1845 12.0461 12.0588 k = 0.0000 0.0000 0.4191 ( 4694 PWs) bands (ev): -28.0072 -28.0072 -20.4668 -20.4668 -17.2819 -17.2819 -17.0303 -17.0303 -14.1029 -14.1029 -14.1007 -14.1006 -10.8098 -10.8098 -9.7947 -9.7947 -9.5361 -9.5361 -5.3345 -5.3345 -4.6403 -4.6403 -4.3873 -4.3871 -2.7202 -2.7202 -1.2050 -1.2050 -1.1255 -1.1255 -1.1157 -1.1153 0.9809 0.9809 1.5229 1.5229 1.5642 1.5643 2.8898 2.8898 2.9443 2.9458 2.9839 2.9839 2.9981 2.9988 4.2740 4.2740 9.6322 9.6322 10.0606 10.0606 11.1779 11.1779 11.1928 11.1990 12.0260 12.0377 k = 0.0000 0.0000 0.4359 ( 4694 PWs) bands (ev): -28.0069 -28.0069 -20.4666 -20.4666 -17.2822 -17.2822 -17.0357 -17.0357 -14.1028 -14.1028 -14.1005 -14.1005 -10.8060 -10.8060 -9.7943 -9.7943 -9.5219 -9.5219 -5.3392 -5.3392 -4.6467 -4.6467 -4.3876 -4.3875 -2.7006 -2.7006 -1.2146 -1.2146 -1.1282 -1.1282 -1.1186 -1.1182 0.9477 0.9477 1.5190 1.5190 1.5601 1.5601 2.8895 2.8895 2.9444 2.9456 2.9876 2.9876 3.0022 3.0028 4.2741 4.2741 9.6479 9.6479 10.1047 10.1047 11.1917 11.1917 11.2071 11.2128 12.0071 12.0177 k = 0.0000 0.0000 0.4526 ( 4694 PWs) bands (ev): -28.0067 -28.0067 -20.4664 -20.4664 -17.2825 -17.2825 -17.0405 -17.0405 -14.1027 -14.1027 -14.1004 -14.1004 -10.8028 -10.8028 -9.7939 -9.7939 -9.5093 -9.5093 -5.3434 -5.3434 -4.6522 -4.6522 -4.3879 -4.3878 -2.6832 -2.6832 -1.2233 -1.2233 -1.1306 -1.1306 -1.1211 -1.1208 0.9183 0.9183 1.5156 1.5156 1.5564 1.5564 2.8892 2.8892 2.9444 2.9454 2.9909 2.9909 3.0059 3.0063 4.2742 4.2742 9.6570 9.6570 10.1525 10.1525 11.2046 11.2046 11.2205 11.2257 11.9898 11.9992 k = 0.0000 0.0000 0.4694 ( 4718 PWs) bands (ev): -28.0065 -28.0065 -20.4662 -20.4662 -17.2828 -17.2828 -17.0446 -17.0446 -14.1026 -14.1026 -14.1004 -14.1004 -10.8001 -10.8001 -9.7937 -9.7937 -9.4984 -9.4984 -5.3471 -5.3471 -4.6568 -4.6568 -4.3881 -4.3881 -2.6683 -2.6683 -1.2309 -1.2309 -1.1327 -1.1327 -1.1233 -1.1230 0.8931 0.8931 1.5126 1.5126 1.5532 1.5532 2.8889 2.8889 2.9444 2.9452 2.9937 2.9937 3.0090 3.0094 4.2743 4.2743 9.6617 9.6617 10.2004 10.2004 11.2163 11.2163 11.2327 11.2373 11.9744 11.9824 k = 0.0000 0.0000 0.4862 ( 4718 PWs) bands (ev): -28.0063 -28.0063 -20.4660 -20.4660 -17.2830 -17.2830 -17.0480 -17.0480 -14.1025 -14.1025 -14.1003 -14.1003 -10.7978 -10.7978 -9.7934 -9.7934 -9.4893 -9.4893 -5.3501 -5.3501 -4.6606 -4.6606 -4.3883 -4.3883 -2.6558 -2.6558 -1.2372 -1.2372 -1.1344 -1.1344 -1.1251 -1.1249 0.8721 0.8721 1.5102 1.5102 1.5506 1.5506 2.8887 2.8887 2.9444 2.9450 2.9960 2.9960 3.0116 3.0119 4.2743 4.2743 9.6638 9.6638 10.2449 10.2449 11.2264 11.2264 11.2435 11.2473 11.9612 11.9679 k = 0.0000 0.0000 0.5029 ( 4754 PWs) bands (ev): -28.0061 -28.0061 -20.4659 -20.4659 -17.2832 -17.2832 -17.0507 -17.0507 -14.1025 -14.1025 -14.1002 -14.1002 -10.7961 -10.7961 -9.7932 -9.7932 -9.4821 -9.4821 -5.3526 -5.3526 -4.6636 -4.6636 -4.3885 -4.3885 -2.6460 -2.6460 -1.2423 -1.2423 -1.1357 -1.1357 -1.1265 -1.1263 0.8556 0.8556 1.5082 1.5082 1.5485 1.5485 2.8886 2.8886 2.9444 2.9449 2.9978 2.9978 3.0137 3.0139 4.2743 4.2743 9.6645 9.6645 10.2832 10.2832 11.2346 11.2346 11.2524 11.2554 11.9508 11.9559 k = 0.0000 0.0000 0.5197 ( 4730 PWs) bands (ev): -28.0060 -28.0060 -20.4658 -20.4658 -17.2833 -17.2833 -17.0526 -17.0526 -14.1024 -14.1024 -14.1002 -14.1002 -10.7948 -10.7948 -9.7931 -9.7931 -9.4769 -9.4769 -5.3543 -5.3543 -4.6656 -4.6656 -4.3886 -4.3886 -2.6389 -2.6389 -1.2460 -1.2460 -1.1367 -1.1367 -1.1275 -1.1274 0.8438 0.8438 1.5068 1.5068 1.5470 1.5470 2.8885 2.8885 2.9444 2.9447 2.9992 2.9992 3.0152 3.0153 4.2744 4.2744 9.6645 9.6645 10.3127 10.3127 11.2408 11.2408 11.2592 11.2613 11.9433 11.9468 k = 0.0000 0.0000 0.5365 ( 4736 PWs) bands (ev): -28.0060 -28.0060 -20.4658 -20.4658 -17.2834 -17.2834 -17.0538 -17.0538 -14.1024 -14.1024 -14.1002 -14.1002 -10.7941 -10.7941 -9.7930 -9.7930 -9.4737 -9.4737 -5.3553 -5.3553 -4.6669 -4.6669 -4.3887 -4.3887 -2.6346 -2.6346 -1.2483 -1.2483 -1.1372 -1.1372 -1.1281 -1.1280 0.8366 0.8366 1.5060 1.5060 1.5461 1.5461 2.8884 2.8884 2.9445 2.9446 3.0000 3.0000 3.0161 3.0162 4.2744 4.2744 9.6643 9.6643 10.3313 10.3313 11.2446 11.2446 11.2636 11.2647 11.9391 11.9408 k = 0.0000 0.0000 0.5532 ( 4748 PWs) bands (ev): -28.0060 -28.0060 -20.4657 -20.4657 -17.2834 -17.2834 -17.0542 -17.0542 -14.1024 -14.1024 -14.1002 -14.1002 -10.7938 -10.7938 -9.7930 -9.7930 -9.4727 -9.4727 -5.3557 -5.3557 -4.6673 -4.6673 -4.3887 -4.3887 -2.6332 -2.6332 -1.2490 -1.2490 -1.1374 -1.1374 -1.1283 -1.1283 0.8342 0.8342 1.5057 1.5057 1.5458 1.5458 2.8884 2.8884 2.9445 2.9445 3.0002 3.0002 3.0164 3.0164 4.2744 4.2744 9.6642 9.6642 10.3376 10.3376 11.2458 11.2458 11.2655 11.2655 11.9382 11.9382 k = 0.0000 0.0000 0.5532 ( 4748 PWs) bands (ev): -28.0060 -28.0060 -20.4657 -20.4657 -17.2834 -17.2834 -17.0542 -17.0542 -14.1024 -14.1024 -14.1002 -14.1002 -10.7938 -10.7938 -9.7930 -9.7930 -9.4727 -9.4727 -5.3557 -5.3557 -4.6673 -4.6673 -4.3887 -4.3887 -2.6332 -2.6332 -1.2490 -1.2490 -1.1374 -1.1374 -1.1283 -1.1283 0.8342 0.8342 1.5057 1.5057 1.5458 1.5458 2.8884 2.8884 2.9445 2.9445 3.0002 3.0002 3.0164 3.0164 4.2744 4.2744 9.6642 9.6642 10.3376 10.3376 11.2458 11.2458 11.2655 11.2655 11.9382 11.9382 k = 0.0143 0.0082 0.5532 ( 4732 PWs) bands (ev): -28.0059 -28.0059 -20.4657 -20.4657 -17.2834 -17.2834 -17.0542 -17.0542 -14.1025 -14.1025 -14.1003 -14.1003 -10.7935 -10.7935 -9.7926 -9.7926 -9.4726 -9.4726 -5.3554 -5.3554 -4.6670 -4.6670 -4.3888 -4.3888 -2.6332 -2.6332 -1.2489 -1.2489 -1.1376 -1.1376 -1.1285 -1.1285 0.8342 0.8342 1.5059 1.5059 1.5460 1.5460 2.8873 2.8873 2.9434 2.9434 2.9999 2.9999 3.0160 3.0160 4.2733 4.2733 9.6653 9.6653 10.3393 10.3393 11.2469 11.2469 11.2665 11.2665 11.9332 11.9332 k = 0.0286 0.0165 0.5532 ( 4728 PWs) bands (ev): -28.0059 -28.0059 -20.4657 -20.4657 -17.2836 -17.2836 -17.0542 -17.0542 -14.1030 -14.1030 -14.1007 -14.1007 -10.7927 -10.7927 -9.7916 -9.7916 -9.4723 -9.4723 -5.3546 -5.3546 -4.6660 -4.6660 -4.3889 -4.3889 -2.6333 -2.6333 -1.2486 -1.2486 -1.1383 -1.1383 -1.1290 -1.1290 0.8341 0.8341 1.5065 1.5065 1.5465 1.5465 2.8839 2.8839 2.9401 2.9401 2.9986 2.9986 3.0149 3.0149 4.2698 4.2698 9.6686 9.6686 10.3443 10.3443 11.2499 11.2499 11.2695 11.2695 11.9155 11.9155 k = 0.0429 0.0247 0.5532 ( 4728 PWs) bands (ev): -28.0059 -28.0059 -20.4656 -20.4656 -17.2839 -17.2839 -17.0544 -17.0544 -14.1039 -14.1039 -14.1014 -14.1014 -10.7913 -10.7913 -9.7898 -9.7898 -9.4720 -9.4720 -5.3533 -5.3533 -4.6643 -4.6643 -4.3893 -4.3893 -2.6335 -2.6335 -1.2480 -1.2480 -1.1396 -1.1396 -1.1296 -1.1296 0.8340 0.8340 1.5075 1.5075 1.5474 1.5474 2.8779 2.8779 2.9350 2.9350 2.9962 2.9962 3.0134 3.0134 4.2641 4.2641 9.6741 9.6741 10.3527 10.3527 11.2550 11.2550 11.2745 11.2745 11.8924 11.8924 k = 0.0571 0.0330 0.5532 ( 4716 PWs) bands (ev): -28.0058 -28.0058 -20.4655 -20.4655 -17.2842 -17.2842 -17.0545 -17.0545 -14.1050 -14.1050 -14.1024 -14.1024 -10.7894 -10.7894 -9.7874 -9.7874 -9.4714 -9.4714 -5.3516 -5.3516 -4.6619 -4.6619 -4.3897 -4.3897 -2.6338 -2.6338 -1.2471 -1.2471 -1.1419 -1.1419 -1.1300 -1.1300 0.8338 0.8338 1.5088 1.5088 1.5486 1.5486 2.8689 2.8689 2.9286 2.9286 2.9924 2.9924 3.0119 3.0119 4.2563 4.2563 9.6816 9.6816 10.3643 10.3643 11.2622 11.2622 11.2816 11.2816 11.8695 11.8695 k = 0.0714 0.0412 0.5532 ( 4708 PWs) bands (ev): -28.0058 -28.0058 -20.4654 -20.4654 -17.2847 -17.2847 -17.0547 -17.0547 -14.1066 -14.1066 -14.1035 -14.1035 -10.7870 -10.7870 -9.7843 -9.7843 -9.4707 -9.4707 -5.3493 -5.3493 -4.6589 -4.6589 -4.3903 -4.3903 -2.6341 -2.6341 -1.2460 -1.2460 -1.1453 -1.1453 -1.1300 -1.1300 0.8336 0.8336 1.5104 1.5104 1.5502 1.5502 2.8564 2.8564 2.9215 2.9215 2.9870 2.9870 3.0105 3.0105 4.2463 4.2463 9.6912 9.6912 10.3792 10.3792 11.2713 11.2713 11.2906 11.2906 11.8486 11.8486 k = 0.0857 0.0495 0.5532 ( 4712 PWs) bands (ev): -28.0057 -28.0057 -20.4653 -20.4653 -17.2853 -17.2853 -17.0549 -17.0549 -14.1086 -14.1086 -14.1048 -14.1048 -10.7841 -10.7841 -9.7805 -9.7805 -9.4698 -9.4698 -5.3467 -5.3467 -4.6552 -4.6552 -4.3909 -4.3909 -2.6344 -2.6344 -1.2447 -1.2447 -1.1496 -1.1496 -1.1298 -1.1298 0.8334 0.8334 1.5124 1.5124 1.5519 1.5519 2.8401 2.8401 2.9141 2.9141 2.9800 2.9800 3.0095 3.0095 4.2343 4.2343 9.7026 9.7026 10.3974 10.3974 11.2824 11.2824 11.3017 11.3017 11.8304 11.8304 k = 0.1000 0.0577 0.5532 ( 4716 PWs) bands (ev): -28.0056 -28.0056 -20.4652 -20.4652 -17.2859 -17.2859 -17.0552 -17.0552 -14.1109 -14.1109 -14.1062 -14.1062 -10.7808 -10.7808 -9.7762 -9.7762 -9.4689 -9.4689 -5.3437 -5.3437 -4.6509 -4.6509 -4.3917 -4.3917 -2.6348 -2.6348 -1.2431 -1.2431 -1.1549 -1.1549 -1.1292 -1.1292 0.8331 0.8331 1.5146 1.5146 1.5539 1.5539 2.8201 2.8201 2.9066 2.9066 2.9716 2.9716 3.0086 3.0086 4.2204 4.2204 9.7158 9.7158 10.4187 10.4187 11.2955 11.2955 11.3148 11.3148 11.8150 11.8150 k = 0.1143 0.0660 0.5532 ( 4712 PWs) bands (ev): -28.0055 -28.0055 -20.4650 -20.4650 -17.2867 -17.2867 -17.0555 -17.0555 -14.1136 -14.1136 -14.1078 -14.1078 -10.7770 -10.7770 -9.7713 -9.7713 -9.4677 -9.4677 -5.3403 -5.3403 -4.6460 -4.6460 -4.3926 -4.3926 -2.6351 -2.6351 -1.2412 -1.2412 -1.1608 -1.1608 -1.1285 -1.1285 0.8327 0.8327 1.5170 1.5170 1.5561 1.5561 2.7964 2.7964 2.8991 2.8991 2.9620 2.9620 3.0079 3.0079 4.2048 4.2048 9.7307 9.7307 10.4431 10.4431 11.3106 11.3106 11.3299 11.3299 11.8027 11.8027 k = 0.1286 0.0742 0.5532 ( 4704 PWs) bands (ev): -28.0054 -28.0054 -20.4648 -20.4648 -17.2875 -17.2875 -17.0558 -17.0558 -14.1165 -14.1165 -14.1096 -14.1096 -10.7727 -10.7727 -9.7658 -9.7658 -9.4665 -9.4665 -5.3367 -5.3367 -4.6405 -4.6405 -4.3936 -4.3936 -2.6355 -2.6355 -1.2391 -1.2391 -1.1674 -1.1674 -1.1277 -1.1277 0.8323 0.8323 1.5195 1.5195 1.5585 1.5585 2.7696 2.7696 2.8915 2.8915 2.9515 2.9515 3.0072 3.0072 4.1877 4.1877 9.7470 9.7470 10.4704 10.4704 11.3275 11.3275 11.3470 11.3470 11.7934 11.7934 k = 0.1429 0.0825 0.5532 ( 4704 PWs) bands (ev): -28.0053 -28.0053 -20.4646 -20.4646 -17.2884 -17.2884 -17.0562 -17.0562 -14.1197 -14.1197 -14.1115 -14.1115 -10.7682 -10.7682 -9.7598 -9.7598 -9.4651 -9.4651 -5.3328 -5.3328 -4.6344 -4.6344 -4.3948 -4.3948 -2.6358 -2.6358 -1.2367 -1.2367 -1.1745 -1.1745 -1.1267 -1.1267 0.8319 0.8319 1.5222 1.5222 1.5609 1.5609 2.7398 2.7398 2.8836 2.8836 2.9401 2.9401 3.0065 3.0065 4.1691 4.1691 9.7646 9.7646 10.5005 10.5005 11.3462 11.3462 11.3663 11.3663 11.7871 11.7871 k = 0.1571 0.0907 0.5532 ( 4704 PWs) bands (ev): -28.0052 -28.0052 -20.4644 -20.4644 -17.2894 -17.2894 -17.0566 -17.0566 -14.1232 -14.1232 -14.1136 -14.1136 -10.7632 -10.7632 -9.7534 -9.7534 -9.4636 -9.4636 -5.3288 -5.3288 -4.6278 -4.6278 -4.3959 -4.3959 -2.6361 -2.6361 -1.2340 -1.2340 -1.1821 -1.1821 -1.1257 -1.1257 0.8314 0.8314 1.5250 1.5250 1.5633 1.5633 2.7074 2.7074 2.8756 2.8756 2.9281 2.9281 3.0059 3.0059 4.1492 4.1492 9.7834 9.7834 10.5332 10.5332 11.3666 11.3666 11.3878 11.3878 11.7838 11.7838 k = 0.1714 0.0990 0.5532 ( 4702 PWs) bands (ev): -28.0051 -28.0051 -20.4641 -20.4641 -17.2904 -17.2904 -17.0570 -17.0570 -14.1268 -14.1268 -14.1157 -14.1157 -10.7580 -10.7580 -9.7465 -9.7465 -9.4619 -9.4619 -5.3247 -5.3247 -4.6208 -4.6208 -4.3972 -4.3972 -2.6363 -2.6363 -1.2310 -1.2310 -1.1901 -1.1901 -1.1245 -1.1245 0.8309 0.8309 1.5277 1.5277 1.5656 1.5656 2.6728 2.6728 2.8673 2.8673 2.9157 2.9157 3.0053 3.0053 4.1283 4.1283 9.8032 9.8032 10.5683 10.5683 11.3886 11.3886 11.4117 11.4117 11.7833 11.7833 k = 0.1857 0.1072 0.5532 ( 4706 PWs) bands (ev): -28.0049 -28.0049 -20.4639 -20.4639 -17.2915 -17.2915 -17.0574 -17.0574 -14.1307 -14.1307 -14.1180 -14.1180 -10.7526 -10.7526 -9.7394 -9.7394 -9.4602 -9.4602 -5.3205 -5.3205 -4.6133 -4.6133 -4.3986 -4.3986 -2.6364 -2.6364 -1.2278 -1.2278 -1.1983 -1.1983 -1.1233 -1.1233 0.8303 0.8303 1.5304 1.5304 1.5679 1.5679 2.6363 2.6363 2.8588 2.8588 2.9030 2.9030 3.0047 3.0047 4.1066 4.1066 9.8238 9.8238 10.6054 10.6054 11.4119 11.4119 11.4381 11.4381 11.7855 11.7855 k = 0.2000 0.1155 0.5532 ( 4714 PWs) bands (ev): -28.0048 -28.0048 -20.4636 -20.4636 -17.2926 -17.2926 -17.0579 -17.0579 -14.1347 -14.1347 -14.1203 -14.1203 -10.7470 -10.7470 -9.7319 -9.7319 -9.4584 -9.4584 -5.3163 -5.3163 -4.6054 -4.6054 -4.4000 -4.4000 -2.6363 -2.6363 -1.2244 -1.2244 -1.2065 -1.2065 -1.1220 -1.1220 0.8296 0.8296 1.5329 1.5329 1.5701 1.5701 2.5981 2.5981 2.8501 2.8501 2.8902 2.8902 3.0041 3.0041 4.0842 4.0842 9.8451 9.8451 10.6443 10.6443 11.4366 11.4366 11.4672 11.4672 11.7903 11.7903 k = 0.2143 0.1237 0.5532 ( 4710 PWs) bands (ev): -28.0047 -28.0047 -20.4634 -20.4634 -17.2938 -17.2938 -17.0584 -17.0584 -14.1388 -14.1388 -14.1227 -14.1227 -10.7412 -10.7412 -9.7242 -9.7242 -9.4566 -9.4566 -5.3122 -5.3122 -4.5973 -4.5973 -4.4014 -4.4014 -2.6362 -2.6362 -1.2214 -1.2214 -1.2142 -1.2142 -1.1207 -1.1207 0.8290 0.8290 1.5352 1.5352 1.5721 1.5721 2.5587 2.5587 2.8413 2.8413 2.8775 2.8775 3.0035 3.0035 4.0613 4.0613 9.8669 9.8669 10.6845 10.6845 11.4623 11.4623 11.4991 11.4991 11.7976 11.7976 k = 0.2286 0.1320 0.5532 ( 4704 PWs) bands (ev): -28.0045 -28.0045 -20.4631 -20.4631 -17.2950 -17.2950 -17.0588 -17.0588 -14.1430 -14.1430 -14.1251 -14.1251 -10.7353 -10.7353 -9.7163 -9.7163 -9.4546 -9.4546 -5.3082 -5.3082 -4.5889 -4.5889 -4.4029 -4.4029 -2.6358 -2.6358 -1.2249 -1.2249 -1.2153 -1.2153 -1.1194 -1.1194 0.8283 0.8283 1.5372 1.5372 1.5740 1.5740 2.5184 2.5184 2.8324 2.8324 2.8649 2.8649 3.0029 3.0029 4.0381 4.0381 9.8891 9.8891 10.7256 10.7256 11.4891 11.4891 11.5339 11.5339 11.8071 11.8071 k = 0.2429 0.1402 0.5532 ( 4706 PWs) bands (ev): -28.0044 -28.0044 -20.4628 -20.4628 -17.2961 -17.2961 -17.0593 -17.0593 -14.1472 -14.1472 -14.1276 -14.1276 -10.7293 -10.7293 -9.7083 -9.7083 -9.4526 -9.4526 -5.3042 -5.3042 -4.5803 -4.5803 -4.4044 -4.4044 -2.6353 -2.6353 -1.2329 -1.2329 -1.2115 -1.2115 -1.1181 -1.1181 0.8275 0.8275 1.5387 1.5387 1.5759 1.5759 2.4774 2.4774 2.8234 2.8234 2.8528 2.8528 3.0023 3.0023 4.0149 4.0149 9.9115 9.9115 10.7672 10.7672 11.5168 11.5168 11.5719 11.5719 11.8186 11.8186 k = 0.2571 0.1485 0.5532 ( 4704 PWs) bands (ev): -28.0042 -28.0042 -20.4626 -20.4626 -17.2973 -17.2973 -17.0598 -17.0598 -14.1514 -14.1514 -14.1301 -14.1301 -10.7233 -10.7233 -9.7003 -9.7003 -9.4506 -9.4506 -5.3005 -5.3005 -4.5717 -4.5717 -4.4060 -4.4060 -2.6346 -2.6346 -1.2410 -1.2410 -1.2072 -1.2072 -1.1167 -1.1167 0.8267 0.8267 1.5397 1.5397 1.5777 1.5777 2.4361 2.4361 2.8145 2.8145 2.8411 2.8411 3.0016 3.0016 3.9917 3.9917 9.9340 9.9340 10.8087 10.8087 11.5452 11.5452 11.6130 11.6130 11.8321 11.8321 k = 0.2714 0.1567 0.5532 ( 4700 PWs) bands (ev): -28.0041 -28.0041 -20.4623 -20.4623 -17.2985 -17.2985 -17.0603 -17.0603 -14.1557 -14.1557 -14.1325 -14.1325 -10.7174 -10.7174 -9.6923 -9.6923 -9.4485 -9.4485 -5.2969 -5.2969 -4.5630 -4.5630 -4.4075 -4.4075 -2.6337 -2.6337 -1.2491 -1.2491 -1.2026 -1.2026 -1.1154 -1.1154 0.8259 0.8259 1.5401 1.5401 1.5795 1.5795 2.3949 2.3949 2.8056 2.8056 2.8299 2.8299 3.0010 3.0010 3.9688 3.9688 9.9563 9.9563 10.8498 10.8498 11.5741 11.5741 11.6573 11.6573 11.8472 11.8472 k = 0.2857 0.1650 0.5532 ( 4704 PWs) bands (ev): -28.0039 -28.0039 -20.4620 -20.4620 -17.2997 -17.2997 -17.0608 -17.0608 -14.1598 -14.1598 -14.1349 -14.1349 -10.7115 -10.7115 -9.6844 -9.6844 -9.4465 -9.4465 -5.2935 -5.2935 -4.5544 -4.5544 -4.4090 -4.4090 -2.6326 -2.6326 -1.2569 -1.2569 -1.1979 -1.1979 -1.1141 -1.1141 0.8251 0.8251 1.5399 1.5399 1.5814 1.5814 2.3541 2.3541 2.7970 2.7970 2.8195 2.8195 3.0005 3.0005 3.9464 3.9464 9.9785 9.9785 10.8899 10.8899 11.6035 11.6035 11.7048 11.7048 11.8637 11.8637 k = 0.3000 0.1732 0.5532 ( 4696 PWs) bands (ev): -28.0038 -28.0038 -20.4618 -20.4618 -17.3008 -17.3008 -17.0612 -17.0612 -14.1639 -14.1639 -14.1373 -14.1373 -10.7058 -10.7058 -9.6766 -9.6766 -9.4444 -9.4444 -5.2904 -5.2904 -4.5460 -4.5460 -4.4105 -4.4105 -2.6313 -2.6313 -1.2644 -1.2644 -1.1931 -1.1931 -1.1128 -1.1128 0.8242 0.8242 1.5389 1.5389 1.5834 1.5834 2.3140 2.3140 2.7885 2.7885 2.8097 2.8097 2.9999 2.9999 3.9246 3.9246 10.0002 10.0002 10.9286 10.9286 11.6330 11.6330 11.7554 11.7554 11.8815 11.8815 k = 0.3143 0.1815 0.5532 ( 4688 PWs) bands (ev): -28.0037 -28.0037 -20.4615 -20.4615 -17.3019 -17.3019 -17.0617 -17.0617 -14.1678 -14.1678 -14.1396 -14.1396 -10.7003 -10.7003 -9.6690 -9.6690 -9.4424 -9.4424 -5.2874 -5.2874 -4.5378 -4.5378 -4.4120 -4.4120 -2.6298 -2.6298 -1.2714 -1.2714 -1.1883 -1.1883 -1.1116 -1.1116 0.8234 0.8234 1.5373 1.5373 1.5854 1.5854 2.2750 2.2750 2.7803 2.7803 2.8008 2.8008 2.9993 2.9993 3.9035 3.9035 10.0214 10.0214 10.9656 10.9656 11.6625 11.6625 11.8089 11.8089 11.9003 11.9003 k = 0.3286 0.1897 0.5532 ( 4684 PWs) bands (ev): -28.0035 -28.0035 -20.4612 -20.4612 -17.3030 -17.3030 -17.0621 -17.0621 -14.1716 -14.1716 -14.1417 -14.1417 -10.6950 -10.6950 -9.6618 -9.6618 -9.4404 -9.4404 -5.2847 -5.2847 -4.5299 -4.5299 -4.4134 -4.4134 -2.6282 -2.6282 -1.2781 -1.2781 -1.1835 -1.1835 -1.1105 -1.1105 0.8225 0.8225 1.5350 1.5350 1.5876 1.5876 2.2373 2.2373 2.7725 2.7725 2.7926 2.7926 2.9988 2.9988 3.8834 3.8834 10.0418 10.0418 11.0006 11.0006 11.6917 11.6917 11.8647 11.8647 11.9200 11.9200 k = 0.3429 0.1979 0.5532 ( 4692 PWs) bands (ev): -28.0034 -28.0034 -20.4610 -20.4610 -17.3040 -17.3040 -17.0625 -17.0625 -14.1752 -14.1752 -14.1438 -14.1438 -10.6899 -10.6899 -9.6548 -9.6548 -9.4385 -9.4385 -5.2823 -5.2823 -4.5224 -4.5224 -4.4148 -4.4148 -2.6265 -2.6265 -1.2843 -1.2843 -1.1788 -1.1788 -1.1094 -1.1094 0.8216 0.8216 1.5323 1.5323 1.5897 1.5897 2.2013 2.2013 2.7651 2.7651 2.7852 2.7852 2.9983 2.9983 3.8644 3.8644 10.0614 10.0614 11.0332 11.0332 11.7203 11.7203 11.9208 11.9208 11.9421 11.9421 k = 0.3571 0.2062 0.5532 ( 4694 PWs) bands (ev): -28.0033 -28.0033 -20.4608 -20.4608 -17.3050 -17.3050 -17.0629 -17.0629 -14.1785 -14.1785 -14.1458 -14.1458 -10.6852 -10.6852 -9.6483 -9.6483 -9.4367 -9.4367 -5.2801 -5.2801 -4.5154 -4.5154 -4.4161 -4.4161 -2.6248 -2.6248 -1.2900 -1.2900 -1.1743 -1.1743 -1.1083 -1.1083 0.8207 0.8207 1.5292 1.5292 1.5918 1.5918 2.1672 2.1672 2.7581 2.7581 2.7786 2.7786 2.9978 2.9978 3.8466 3.8466 10.0800 10.0800 11.0633 11.0633 11.7480 11.7480 11.9562 11.9562 11.9864 11.9864 k = 0.3714 0.2144 0.5532 ( 4690 PWs) bands (ev): -28.0032 -28.0032 -20.4606 -20.4606 -17.3059 -17.3059 -17.0633 -17.0633 -14.1817 -14.1817 -14.1476 -14.1476 -10.6808 -10.6808 -9.6422 -9.6422 -9.4350 -9.4350 -5.2781 -5.2781 -4.5088 -4.5088 -4.4173 -4.4173 -2.6229 -2.6229 -1.2951 -1.2951 -1.1699 -1.1699 -1.1074 -1.1074 0.8199 0.8199 1.5258 1.5258 1.5938 1.5938 2.1355 2.1355 2.7516 2.7516 2.7729 2.7729 2.9974 2.9974 3.8301 3.8301 10.0973 10.0973 11.0909 11.0909 11.7745 11.7745 11.9771 11.9771 12.0458 12.0458 k = 0.3857 0.2227 0.5532 ( 4688 PWs) bands (ev): -28.0031 -28.0031 -20.4604 -20.4604 -17.3067 -17.3067 -17.0636 -17.0636 -14.1845 -14.1845 -14.1493 -14.1493 -10.6767 -10.6767 -9.6366 -9.6366 -9.4334 -9.4334 -5.2764 -5.2764 -4.5028 -4.5028 -4.4184 -4.4184 -2.6211 -2.6211 -1.2998 -1.2998 -1.1658 -1.1658 -1.1065 -1.1065 0.8191 0.8191 1.5224 1.5224 1.5957 1.5957 2.1063 2.1063 2.7457 2.7457 2.7678 2.7678 2.9970 2.9970 3.8150 3.8150 10.1133 10.1133 11.1157 11.1157 11.7996 11.7996 11.9965 11.9965 12.1058 12.1058 k = 0.4000 0.2309 0.5532 ( 4686 PWs) bands (ev): -28.0030 -28.0030 -20.4602 -20.4602 -17.3074 -17.3074 -17.0639 -17.0639 -14.1871 -14.1871 -14.1508 -14.1508 -10.6731 -10.6731 -9.6315 -9.6315 -9.4319 -9.4319 -5.2749 -5.2749 -4.4974 -4.4974 -4.4194 -4.4194 -2.6194 -2.6194 -1.3038 -1.3038 -1.1621 -1.1621 -1.1057 -1.1057 0.8184 0.8184 1.5189 1.5189 1.5975 1.5975 2.0799 2.0799 2.7404 2.7404 2.7636 2.7636 2.9966 2.9966 3.8015 3.8015 10.1279 10.1279 11.1377 11.1377 11.8227 11.8227 12.0148 12.0148 12.1646 12.1646 k = 0.4143 0.2392 0.5532 ( 4694 PWs) bands (ev): -28.0029 -28.0029 -20.4601 -20.4601 -17.3081 -17.3081 -17.0642 -17.0642 -14.1894 -14.1894 -14.1521 -14.1521 -10.6699 -10.6699 -9.6271 -9.6271 -9.4306 -9.4306 -5.2736 -5.2736 -4.4927 -4.4927 -4.4203 -4.4203 -2.6177 -2.6177 -1.3074 -1.3074 -1.1587 -1.1587 -1.1050 -1.1050 0.8177 0.8177 1.5156 1.5156 1.5991 1.5991 2.0565 2.0565 2.7357 2.7357 2.7600 2.7600 2.9963 2.9963 3.7895 3.7895 10.1408 10.1408 11.1569 11.1569 11.8437 11.8437 12.0317 12.0317 12.2207 12.2207 k = 0.4286 0.2474 0.5532 ( 4706 PWs) bands (ev): -28.0028 -28.0028 -20.4600 -20.4600 -17.3087 -17.3087 -17.0644 -17.0644 -14.1914 -14.1914 -14.1532 -14.1532 -10.6671 -10.6671 -9.6233 -9.6233 -9.4295 -9.4295 -5.2725 -5.2725 -4.4887 -4.4887 -4.4210 -4.4210 -2.6162 -2.6162 -1.3104 -1.3104 -1.1557 -1.1557 -1.1044 -1.1044 0.8171 0.8171 1.5126 1.5126 1.6005 1.6005 2.0363 2.0363 2.7317 2.7317 2.7570 2.7570 2.9960 2.9960 3.7793 3.7793 10.1519 10.1519 11.1732 11.1732 11.8621 11.8621 12.0470 12.0470 12.2726 12.2726 k = 0.4429 0.2557 0.5532 ( 4702 PWs) bands (ev): -28.0028 -28.0028 -20.4598 -20.4598 -17.3091 -17.3091 -17.0646 -17.0646 -14.1930 -14.1930 -14.1542 -14.1542 -10.6649 -10.6649 -9.6201 -9.6201 -9.4285 -9.4285 -5.2717 -5.2717 -4.4853 -4.4853 -4.4217 -4.4217 -2.6149 -2.6149 -1.3128 -1.3128 -1.1532 -1.1532 -1.1039 -1.1039 0.8166 0.8166 1.5100 1.5100 1.6016 1.6016 2.0196 2.0196 2.7284 2.7284 2.7546 2.7546 2.9958 2.9958 3.7709 3.7709 10.1612 10.1612 11.1866 11.1866 11.8777 11.8777 12.0602 12.0602 12.3185 12.3185 k = 0.4571 0.2639 0.5532 ( 4702 PWs) bands (ev): -28.0027 -28.0027 -20.4598 -20.4598 -17.3095 -17.3095 -17.0648 -17.0648 -14.1943 -14.1943 -14.1549 -14.1549 -10.6631 -10.6631 -9.6176 -9.6176 -9.4278 -9.4278 -5.2710 -5.2710 -4.4827 -4.4827 -4.4222 -4.4222 -2.6139 -2.6139 -1.3147 -1.3147 -1.1512 -1.1512 -1.1035 -1.1035 0.8161 0.8161 1.5078 1.5078 1.6026 1.6026 2.0064 2.0064 2.7258 2.7258 2.7528 2.7528 2.9956 2.9956 3.7643 3.7643 10.1685 10.1685 11.1971 11.1971 11.8901 11.8901 12.0709 12.0709 12.3568 12.3568 k = 0.4714 0.2722 0.5532 ( 4700 PWs) bands (ev): -28.0027 -28.0027 -20.4597 -20.4597 -17.3097 -17.3097 -17.0649 -17.0649 -14.1952 -14.1952 -14.1555 -14.1555 -10.6618 -10.6618 -9.6158 -9.6158 -9.4272 -9.4272 -5.2705 -5.2705 -4.4808 -4.4808 -4.4225 -4.4225 -2.6131 -2.6131 -1.3161 -1.3161 -1.1498 -1.1498 -1.1033 -1.1033 0.8158 0.8158 1.5063 1.5063 1.6032 1.6032 1.9969 1.9969 2.7239 2.7239 2.7516 2.7516 2.9954 2.9954 3.7595 3.7595 10.1738 10.1738 11.2046 11.2046 11.8992 11.8992 12.0788 12.0788 12.3858 12.3858 k = 0.4857 0.2804 0.5532 ( 4696 PWs) bands (ev): -28.0027 -28.0027 -20.4597 -20.4597 -17.3099 -17.3099 -17.0650 -17.0650 -14.1958 -14.1958 -14.1558 -14.1558 -10.6610 -10.6610 -9.6147 -9.6147 -9.4269 -9.4269 -5.2702 -5.2702 -4.4797 -4.4797 -4.4227 -4.4227 -2.6126 -2.6126 -1.3169 -1.3169 -1.1489 -1.1489 -1.1031 -1.1031 0.8156 0.8156 1.5053 1.5053 1.6036 1.6036 1.9912 1.9912 2.7228 2.7228 2.7508 2.7508 2.9954 2.9954 3.7566 3.7566 10.1770 10.1770 11.2091 11.2091 11.9047 11.9047 12.0837 12.0837 12.4038 12.4038 k = 0.5000 0.2887 0.5532 ( 4680 PWs) bands (ev): -28.0027 -28.0027 -20.4596 -20.4596 -17.3099 -17.3099 -17.0650 -17.0650 -14.1960 -14.1960 -14.1559 -14.1559 -10.6607 -10.6607 -9.6143 -9.6143 -9.4268 -9.4268 -5.2701 -5.2701 -4.4793 -4.4793 -4.4228 -4.4228 -2.6125 -2.6125 -1.3171 -1.3171 -1.1486 -1.1486 -1.1030 -1.1030 0.8156 0.8156 1.5050 1.5050 1.6038 1.6038 1.9893 1.9893 2.7224 2.7224 2.7506 2.7506 2.9953 2.9953 3.7557 3.7557 10.1781 10.1781 11.2106 11.2106 11.9066 11.9066 12.0854 12.0854 12.4100 12.4100 k = 0.5000 0.2887 0.5532 ( 4680 PWs) bands (ev): -28.0027 -28.0027 -20.4596 -20.4596 -17.3099 -17.3099 -17.0650 -17.0650 -14.1960 -14.1960 -14.1559 -14.1559 -10.6607 -10.6607 -9.6143 -9.6143 -9.4268 -9.4268 -5.2701 -5.2701 -4.4793 -4.4793 -4.4228 -4.4228 -2.6125 -2.6125 -1.3171 -1.3171 -1.1486 -1.1486 -1.1030 -1.1030 0.8156 0.8156 1.5050 1.5050 1.6038 1.6038 1.9893 1.9893 2.7224 2.7224 2.7506 2.7506 2.9953 2.9953 3.7557 3.7557 10.1781 10.1781 11.2106 11.2106 11.9066 11.9066 12.0854 12.0854 12.4100 12.4100 k = 0.4917 0.3031 0.5532 ( 4696 PWs) bands (ev): -28.0027 -28.0027 -20.4596 -20.4596 -17.3101 -17.3098 -17.0650 -17.0650 -14.1993 -14.1956 -14.1556 -14.1534 -10.6636 -10.6577 -9.6174 -9.6110 -9.4275 -9.4260 -5.2726 -5.2677 -4.4809 -4.4775 -4.4281 -4.4175 -2.6128 -2.6119 -1.3183 -1.3175 -1.1493 -1.1475 -1.1029 -1.1016 0.8155 0.8156 1.5004 1.5071 1.6017 1.6075 1.9886 1.9897 2.7213 2.7219 2.7505 2.7508 2.9948 2.9960 3.7548 3.7555 10.1783 10.1787 11.2115 11.2123 11.9062 11.9077 12.0864 12.0876 12.4092 12.4105 k = 0.4833 0.3175 0.5532 ( 4692 PWs) bands (ev): -28.0027 -28.0027 -20.4596 -20.4596 -17.3103 -17.3097 -17.0650 -17.0650 -14.2047 -14.1982 -14.1524 -14.1490 -10.6663 -10.6545 -9.6202 -9.6075 -9.4282 -9.4252 -5.2750 -5.2652 -4.4824 -4.4755 -4.4335 -4.4123 -2.6129 -2.6112 -1.3208 -1.3192 -1.1497 -1.1461 -1.1011 -1.0987 0.8154 0.8155 1.4940 1.5065 1.6017 1.6125 1.9878 1.9901 2.7185 2.7198 2.7504 2.7511 2.9945 2.9969 3.7530 3.7542 10.1794 10.1802 11.2150 11.2165 11.9065 11.9095 12.0906 12.0930 12.4082 12.4107 k = 0.4750 0.3320 0.5532 ( 4704 PWs) bands (ev): -28.0027 -28.0027 -20.4596 -20.4596 -17.3106 -17.3096 -17.0651 -17.0650 -14.2112 -14.2028 -14.1475 -14.1436 -10.6688 -10.6512 -9.6227 -9.6038 -9.4288 -9.4244 -5.2774 -5.2627 -4.4836 -4.4734 -4.4388 -4.4073 -2.6128 -2.6102 -1.3246 -1.3224 -1.1498 -1.1443 -1.0980 -1.0944 0.8153 0.8153 1.4861 1.5034 1.6036 1.6183 1.9869 1.9902 2.7142 2.7161 2.7505 2.7515 2.9943 2.9978 3.7501 3.7520 10.1814 10.1826 11.2211 11.2233 11.9073 11.9120 12.0979 12.1016 12.4069 12.4107 k = 0.4667 0.3464 0.5532 ( 4712 PWs) bands (ev): -28.0026 -28.0026 -20.4596 -20.4596 -17.3108 -17.3096 -17.0651 -17.0651 -14.2183 -14.2085 -14.1417 -14.1379 -10.6711 -10.6478 -9.6250 -9.5999 -9.4293 -9.4235 -5.2798 -5.2603 -4.4846 -4.4711 -4.4440 -4.4023 -2.6124 -2.6090 -1.3294 -1.3266 -1.1495 -1.1423 -1.0936 -1.0891 0.8151 0.8151 1.4772 1.4981 1.6070 1.6245 1.9857 1.9902 2.7085 2.7110 2.7507 2.7520 2.9942 2.9990 3.7463 3.7488 10.1842 10.1858 11.2297 11.2327 11.9085 11.9148 12.1082 12.1131 12.4053 12.4106 k = 0.4583 0.3608 0.5532 ( 4714 PWs) bands (ev): -28.0026 -28.0026 -20.4596 -20.4596 -17.3111 -17.3095 -17.0652 -17.0651 -14.2256 -14.2147 -14.1355 -14.1320 -10.6732 -10.6444 -9.6269 -9.5960 -9.4298 -9.4226 -5.2820 -5.2579 -4.4854 -4.4688 -4.4490 -4.3976 -2.6119 -2.6076 -1.3350 -1.3317 -1.1489 -1.1399 -1.0883 -1.0829 0.8148 0.8148 1.4677 1.4912 1.6115 1.6307 1.9844 1.9900 2.7014 2.7045 2.7509 2.7526 2.9943 3.0002 3.7417 3.7447 10.1878 10.1897 11.2407 11.2446 11.9098 11.9179 12.1212 12.1274 12.4034 12.4102 k = 0.4500 0.3753 0.5532 ( 4710 PWs) bands (ev): -28.0026 -28.0026 -20.4595 -20.4595 -17.3114 -17.3095 -17.0653 -17.0652 -14.2329 -14.2210 -14.1293 -14.1262 -10.6750 -10.6410 -9.6285 -9.5919 -9.4303 -9.4217 -5.2841 -5.2556 -4.4860 -4.4665 -4.4539 -4.3931 -2.6111 -2.6061 -1.3411 -1.3374 -1.1479 -1.1373 -1.0822 -1.0761 0.8145 0.8145 1.4577 1.4832 1.6166 1.6370 1.9829 1.9895 2.6932 2.6968 2.7512 2.7532 2.9945 3.0015 3.7363 3.7399 10.1920 10.1942 11.2543 11.2589 11.9109 11.9208 12.1366 12.1442 12.4013 12.4097 k = 0.4417 0.3897 0.5532 ( 4710 PWs) bands (ev): -28.0026 -28.0026 -20.4595 -20.4595 -17.3116 -17.3095 -17.0654 -17.0653 -14.2401 -14.2273 -14.1233 -14.1206 -10.6766 -10.6375 -9.6299 -9.5878 -9.4306 -9.4207 -5.2862 -5.2533 -4.4864 -4.4645 -4.4582 -4.3888 -2.6102 -2.6045 -1.3476 -1.3436 -1.1468 -1.1345 -1.0758 -1.0689 0.8141 0.8142 1.4476 1.4745 1.6219 1.6430 1.9811 1.9889 2.6842 2.6882 2.7516 2.7539 2.9948 3.0028 3.7303 3.7344 10.1968 10.1994 11.2702 11.2757 11.9112 11.9231 12.1542 12.1631 12.3989 12.4091 k = 0.4333 0.4041 0.5532 ( 4726 PWs) bands (ev): -28.0026 -28.0026 -20.4594 -20.4594 -17.3120 -17.3096 -17.0655 -17.0654 -14.2470 -14.2335 -14.1176 -14.1153 -10.6779 -10.6342 -9.6309 -9.5837 -9.4310 -9.4198 -5.2881 -5.2512 -4.4866 -4.4649 -4.4598 -4.3848 -2.6091 -2.6027 -1.3541 -1.3499 -1.1453 -1.1315 -1.0691 -1.0617 0.8137 0.8138 1.4376 1.4654 1.6272 1.6486 1.9791 1.9880 2.6744 2.6788 2.7521 2.7547 2.9952 3.0042 3.7238 3.7284 10.2021 10.2050 11.2884 11.2948 11.9104 11.9242 12.1735 12.1837 12.3965 12.4087 k = 0.4250 0.4186 0.5532 ( 4732 PWs) bands (ev): -28.0025 -28.0025 -20.4594 -20.4594 -17.3123 -17.3097 -17.0656 -17.0654 -14.2537 -14.2395 -14.1122 -14.1104 -10.6791 -10.6309 -9.6317 -9.5797 -9.4313 -9.4189 -5.2899 -5.2491 -4.4866 -4.4686 -4.4580 -4.3810 -2.6080 -2.6008 -1.3606 -1.3562 -1.1437 -1.1285 -1.0624 -1.0544 0.8132 0.8133 1.4276 1.4563 1.6323 1.6539 1.9768 1.9868 2.6642 2.6689 2.7525 2.7554 2.9957 3.0055 3.7169 3.7220 10.2078 10.2109 11.3088 11.3161 11.9079 11.9237 12.1940 12.2056 12.3942 12.4085 k = 0.4167 0.4330 0.5532 ( 4724 PWs) bands (ev): -28.0025 -28.0025 -20.4593 -20.4593 -17.3126 -17.3098 -17.0657 -17.0655 -14.2600 -14.2451 -14.1072 -14.1058 -10.6800 -10.6277 -9.6323 -9.5758 -9.4315 -9.4180 -5.2916 -5.2472 -4.4865 -4.4725 -4.4558 -4.3776 -2.6067 -2.5989 -1.3669 -1.3623 -1.1420 -1.1254 -1.0559 -1.0475 0.8128 0.8129 1.4181 1.4473 1.6372 1.6588 1.9743 1.9853 2.6539 2.6588 2.7530 2.7562 2.9961 3.0069 3.7099 3.7154 10.2137 10.2171 11.3313 11.3396 11.9032 11.9208 12.2153 12.2282 12.3924 12.4089 k = 0.4083 0.4474 0.5532 ( 4724 PWs) bands (ev): -28.0025 -28.0025 -20.4592 -20.4592 -17.3129 -17.3098 -17.0658 -17.0656 -14.2658 -14.2503 -14.1027 -14.1017 -10.6807 -10.6247 -9.6326 -9.5720 -9.4317 -9.4171 -5.2931 -5.2454 -4.4862 -4.4762 -4.4534 -4.3745 -2.6054 -2.5970 -1.3729 -1.3682 -1.1401 -1.1223 -1.0497 -1.0408 0.8123 0.8124 1.4090 1.4387 1.6417 1.6632 1.9715 1.9836 2.6436 2.6487 2.7535 2.7570 2.9966 3.0082 3.7028 3.7087 10.2197 10.2233 11.3557 11.3649 11.8958 11.9151 12.2368 12.2509 12.3914 12.4102 k = 0.4000 0.4619 0.5532 ( 4708 PWs) bands (ev): -28.0024 -28.0024 -20.4592 -20.4592 -17.3132 -17.3099 -17.0659 -17.0657 -14.2712 -14.2552 -14.0986 -14.0979 -10.6812 -10.6218 -9.6327 -9.5684 -9.4318 -9.4163 -5.2945 -5.2437 -4.4858 -4.4796 -4.4512 -4.3717 -2.6041 -2.5952 -1.3784 -1.3736 -1.1382 -1.1193 -1.0439 -1.0347 0.8118 0.8119 1.4004 1.4305 1.6458 1.6672 1.9686 1.9816 2.6337 2.6389 2.7540 2.7577 2.9971 3.0094 3.6959 3.7021 10.2257 10.2295 11.3818 11.3920 11.8853 11.9062 12.2579 12.2732 12.3915 12.4124 k = 0.3917 0.4763 0.5532 ( 4712 PWs) bands (ev): -28.0024 -28.0024 -20.4591 -20.4591 -17.3135 -17.3101 -17.0660 -17.0658 -14.2760 -14.2595 -14.0951 -14.0947 -10.6815 -10.6192 -9.6326 -9.5650 -9.4319 -9.4155 -5.2957 -5.2422 -4.4853 -4.4827 -4.4491 -4.3693 -2.6028 -2.5934 -1.3834 -1.3786 -1.1364 -1.1164 -1.0387 -1.0291 0.8114 0.8115 1.3926 1.4229 1.6494 1.6707 1.9654 1.9793 2.6244 2.6296 2.7545 2.7583 2.9976 3.0104 3.6893 3.6958 10.2315 10.2355 11.4093 11.4205 11.8718 11.8937 12.2779 12.2945 12.3930 12.4159 k = 0.3833 0.4907 0.5532 ( 4704 PWs) bands (ev): -28.0024 -28.0024 -20.4591 -20.4591 -17.3137 -17.3102 -17.0661 -17.0659 -14.2803 -14.2633 -14.0920 -14.0919 -10.6817 -10.6169 -9.6324 -9.5620 -9.4319 -9.4148 -5.2967 -5.2409 -4.4854 -4.4848 -4.4471 -4.3672 -2.6015 -2.5917 -1.3878 -1.3830 -1.1346 -1.1137 -1.0340 -1.0242 0.8110 0.8111 1.3856 1.4160 1.6526 1.6737 1.9622 1.9770 2.6159 2.6212 2.7549 2.7589 2.9980 3.0114 3.6831 3.6898 10.2370 10.2411 11.4378 11.4501 11.8554 11.8780 12.2964 12.3140 12.3959 12.4204 k = 0.3750 0.5052 0.5532 ( 4700 PWs) bands (ev): -28.0023 -28.0023 -20.4590 -20.4590 -17.3139 -17.3103 -17.0662 -17.0660 -14.2840 -14.2666 -14.0895 -14.0895 -10.6818 -10.6148 -9.6321 -9.5593 -9.4320 -9.4142 -5.2976 -5.2398 -4.4877 -4.4843 -4.4454 -4.3654 -2.6003 -2.5902 -1.3917 -1.3867 -1.1330 -1.1114 -1.0301 -1.0200 0.8105 0.8107 1.3795 1.4100 1.6553 1.6763 1.9590 1.9745 2.6085 2.6137 2.7552 2.7594 2.9984 3.0122 3.6775 3.6845 10.2420 10.2462 11.4668 11.4801 11.8365 11.8594 12.3128 12.3312 12.4000 12.4258 k = 0.3667 0.5196 0.5532 ( 4702 PWs) bands (ev): -28.0023 -28.0023 -20.4590 -20.4590 -17.3142 -17.3104 -17.0663 -17.0661 -14.2870 -14.2694 -14.0876 -14.0874 -10.6818 -10.6131 -9.6318 -9.5570 -9.4320 -9.4137 -5.2983 -5.2388 -4.4896 -4.4837 -4.4439 -4.3640 -2.5993 -2.5888 -1.3948 -1.3899 -1.1315 -1.1093 -1.0268 -1.0165 0.8102 0.8103 1.3743 1.4050 1.6575 1.6783 1.9560 1.9721 2.6022 2.6073 2.7555 2.7598 2.9987 3.0129 3.6727 3.6798 10.2464 10.2507 11.4956 11.5099 11.8159 11.8388 12.3266 12.3457 12.4048 12.4317 k = 0.3583 0.5340 0.5532 ( 4694 PWs) bands (ev): -28.0023 -28.0023 -20.4589 -20.4589 -17.3143 -17.3105 -17.0664 -17.0661 -14.2894 -14.2715 -14.0862 -14.0859 -10.6818 -10.6117 -9.6315 -9.5552 -9.4319 -9.4133 -5.2988 -5.2381 -4.4911 -4.4832 -4.4427 -4.3629 -2.5985 -2.5877 -1.3973 -1.3923 -1.1303 -1.1076 -1.0242 -1.0138 0.8099 0.8100 1.3703 1.4010 1.6592 1.6799 1.9532 1.9699 2.5972 2.6023 2.7557 2.7601 2.9990 3.0134 3.6687 3.6760 10.2501 10.2544 11.5229 11.5381 11.7951 11.8178 12.3376 12.3572 12.4097 12.4374 k = 0.3500 0.5485 0.5532 ( 4698 PWs) bands (ev): -28.0023 -28.0023 -20.4589 -20.4589 -17.3144 -17.3106 -17.0664 -17.0662 -14.2911 -14.2731 -14.0852 -14.0848 -10.6817 -10.6106 -9.6312 -9.5538 -9.4319 -9.4129 -5.2992 -5.2375 -4.4922 -4.4829 -4.4418 -4.3622 -2.5978 -2.5869 -1.3991 -1.3941 -1.1294 -1.1064 -1.0224 -1.0118 0.8097 0.8098 1.3673 1.3981 1.6604 1.6810 1.9510 1.9680 2.5936 2.5987 2.7559 2.7603 2.9991 3.0138 3.6658 3.6731 10.2528 10.2572 11.5466 11.5626 11.7760 11.7985 12.3456 12.3655 12.4141 12.4422 k = 0.3417 0.5629 0.5532 ( 4702 PWs) bands (ev): -28.0023 -28.0023 -20.4589 -20.4589 -17.3145 -17.3106 -17.0664 -17.0662 -14.2921 -14.2740 -14.0846 -14.0842 -10.6816 -10.6100 -9.6310 -9.5530 -9.4319 -9.4127 -5.2994 -5.2372 -4.4929 -4.4826 -4.4412 -4.3617 -2.5974 -2.5864 -1.4002 -1.3952 -1.1288 -1.1056 -1.0214 -1.0107 0.8095 0.8096 1.3656 1.3963 1.6611 1.6817 1.9495 1.9668 2.5915 2.5965 2.7560 2.7605 2.9992 3.0140 3.6639 3.6713 10.2545 10.2589 11.5637 11.5801 11.7619 11.7842 12.3504 12.3704 12.4171 12.4455 k = 0.3333 0.5774 0.5532 ( 4716 PWs) bands (ev): -28.0023 -28.0023 -20.4589 -20.4589 -17.3146 -17.3106 -17.0665 -17.0662 -14.2925 -14.2743 -14.0844 -14.0840 -10.6816 -10.6098 -9.6309 -9.5527 -9.4319 -9.4127 -5.2995 -5.2371 -4.4931 -4.4825 -4.4410 -4.3616 -2.5973 -2.5863 -1.4005 -1.3955 -1.1286 -1.1053 -1.0210 -1.0103 0.8095 0.8096 1.3649 1.3957 1.6614 1.6819 1.9490 1.9663 2.5907 2.5957 2.7560 2.7605 2.9993 3.0141 3.6633 3.6707 10.2551 10.2596 11.5701 11.5867 11.7565 11.7788 12.3520 12.3721 12.4182 12.4467 k = 0.3333 0.5774 0.5532 ( 4716 PWs) bands (ev): -28.0023 -28.0023 -20.4589 -20.4589 -17.3146 -17.3106 -17.0665 -17.0662 -14.2925 -14.2743 -14.0844 -14.0840 -10.6816 -10.6098 -9.6309 -9.5527 -9.4319 -9.4127 -5.2995 -5.2371 -4.4931 -4.4825 -4.4410 -4.3616 -2.5973 -2.5863 -1.4005 -1.3955 -1.1286 -1.1053 -1.0210 -1.0103 0.8095 0.8096 1.3649 1.3957 1.6614 1.6819 1.9490 1.9663 2.5907 2.5957 2.7560 2.7605 2.9993 3.0141 3.6633 3.6707 10.2551 10.2596 11.5701 11.5867 11.7565 11.7788 12.3520 12.3721 12.4182 12.4467 k = 0.3250 0.5629 0.5532 ( 4708 PWs) bands (ev): -28.0023 -28.0023 -20.4589 -20.4589 -17.3145 -17.3106 -17.0665 -17.0662 -14.2921 -14.2740 -14.0846 -14.0842 -10.6816 -10.6100 -9.6310 -9.5530 -9.4319 -9.4127 -5.2994 -5.2372 -4.4929 -4.4826 -4.4412 -4.3617 -2.5975 -2.5864 -1.4002 -1.3952 -1.1288 -1.1056 -1.0214 -1.0107 0.8095 0.8096 1.3655 1.3963 1.6611 1.6817 1.9496 1.9668 2.5914 2.5965 2.7560 2.7605 2.9992 3.0140 3.6639 3.6713 10.2545 10.2589 11.5637 11.5801 11.7618 11.7840 12.3504 12.3704 12.4170 12.4454 k = 0.3167 0.5485 0.5532 ( 4696 PWs) bands (ev): -28.0023 -28.0023 -20.4589 -20.4589 -17.3144 -17.3105 -17.0664 -17.0662 -14.2911 -14.2731 -14.0851 -14.0847 -10.6818 -10.6107 -9.6313 -9.5539 -9.4320 -9.4130 -5.2992 -5.2376 -4.4922 -4.4830 -4.4419 -4.3621 -2.5979 -2.5870 -1.3991 -1.3941 -1.1294 -1.1064 -1.0224 -1.0118 0.8097 0.8098 1.3673 1.3981 1.6604 1.6810 1.9517 1.9687 2.5936 2.5986 2.7559 2.7604 2.9992 3.0138 3.6660 3.6733 10.2525 10.2569 11.5465 11.5626 11.7752 11.7974 12.3457 12.3656 12.4131 12.4411 k = 0.3083 0.5340 0.5532 ( 4692 PWs) bands (ev): -28.0023 -28.0023 -20.4589 -20.4589 -17.3143 -17.3104 -17.0663 -17.0661 -14.2894 -14.2715 -14.0859 -14.0856 -10.6821 -10.6118 -9.6319 -9.5554 -9.4321 -9.4133 -5.2989 -5.2381 -4.4912 -4.4836 -4.4430 -4.3628 -2.5986 -2.5879 -1.3973 -1.3924 -1.1305 -1.1078 -1.0240 -1.0135 0.8100 0.8101 1.3703 1.4010 1.6593 1.6800 1.9553 1.9720 2.5970 2.6021 2.7559 2.7603 2.9990 3.0135 3.6694 3.6767 10.2492 10.2535 11.5223 11.5378 11.7924 11.8144 12.3378 12.3576 12.4062 12.4334 k = 0.3000 0.5196 0.5532 ( 4696 PWs) bands (ev): -28.0023 -28.0023 -20.4590 -20.4590 -17.3141 -17.3103 -17.0663 -17.0660 -14.2870 -14.2694 -14.0870 -14.0867 -10.6825 -10.6134 -9.6327 -9.5576 -9.4322 -9.4139 -5.2986 -5.2389 -4.4897 -4.4846 -4.4446 -4.3636 -2.5997 -2.5892 -1.3949 -1.3900 -1.1321 -1.1098 -1.0262 -1.0159 0.8103 0.8104 1.3743 1.4051 1.6576 1.6785 1.9609 1.9770 2.6017 2.6069 2.7559 2.7603 2.9989 3.0131 3.6743 3.6814 10.2444 10.2487 11.4939 11.5089 11.8099 11.8314 12.3268 12.3464 12.3960 12.4219 k = 0.2917 0.5052 0.5532 ( 4706 PWs) bands (ev): -28.0024 -28.0024 -20.4591 -20.4591 -17.3138 -17.3101 -17.0661 -17.0659 -14.2840 -14.2667 -14.0884 -14.0882 -10.6831 -10.6155 -9.6339 -9.5604 -9.4325 -9.4146 -5.2981 -5.2400 -4.4879 -4.4859 -4.4467 -4.3647 -2.6010 -2.5908 -1.3917 -1.3869 -1.1341 -1.1123 -1.0290 -1.0189 0.8108 0.8109 1.3794 1.4102 1.6556 1.6767 1.9684 1.9839 2.6075 2.6128 2.7561 2.7604 2.9987 3.0127 3.6806 3.6877 10.2381 10.2423 11.4631 11.4774 11.8254 11.8458 12.3127 12.3321 12.3816 12.4060 k = 0.2833 0.4907 0.5532 ( 4698 PWs) bands (ev): -28.0024 -28.0024 -20.4592 -20.4591 -17.3134 -17.3098 -17.0660 -17.0658 -14.2804 -14.2635 -14.0899 -14.0898 -10.6840 -10.6181 -9.6354 -9.5638 -9.4328 -9.4155 -5.2976 -5.2413 -4.4877 -4.4857 -4.4493 -4.3659 -2.6026 -2.5927 -1.3879 -1.3831 -1.1365 -1.1154 -1.0322 -1.0225 0.8114 0.8115 1.3855 1.4163 1.6531 1.6745 1.9782 1.9930 2.6144 2.6198 2.7563 2.7606 2.9985 3.0122 3.6885 3.6954 10.2302 10.2344 11.4308 11.4445 11.8372 11.8562 12.2956 12.3145 12.3626 12.3852 k = 0.2750 0.4763 0.5532 ( 4694 PWs) bands (ev): -28.0025 -28.0025 -20.4592 -20.4592 -17.3129 -17.3095 -17.0658 -17.0656 -14.2762 -14.2597 -14.0916 -14.0916 -10.6850 -10.6211 -9.6372 -9.5679 -9.4333 -9.4166 -5.2971 -5.2428 -4.4898 -4.4831 -4.4525 -4.3673 -2.6045 -2.5950 -1.3834 -1.3787 -1.1394 -1.1190 -1.0358 -1.0265 0.8121 0.8122 1.3924 1.4234 1.6502 1.6720 1.9903 2.0042 2.6223 2.6279 2.7568 2.7610 2.9983 3.0116 3.6978 3.7045 10.2209 10.2249 11.3976 11.4106 11.8445 11.8614 12.2754 12.2939 12.3383 12.3589 k = 0.2667 0.4619 0.5532 ( 4694 PWs) bands (ev): -28.0025 -28.0025 -20.4594 -20.4594 -17.3124 -17.3091 -17.0656 -17.0654 -14.2714 -14.2554 -14.0935 -14.0934 -10.6864 -10.6246 -9.6395 -9.5726 -9.4338 -9.4178 -5.2966 -5.2445 -4.4925 -4.4802 -4.4563 -4.3688 -2.6066 -2.5975 -1.3782 -1.3738 -1.1427 -1.1230 -1.0398 -1.0309 0.8128 0.8129 1.4001 1.4311 1.6470 1.6691 2.0049 2.0179 2.6310 2.6368 2.7576 2.7617 2.9981 3.0110 3.7086 3.7151 10.2100 10.2139 11.3636 11.3761 11.8468 11.8614 12.2524 12.2702 12.3086 12.3271 k = 0.2583 0.4474 0.5532 ( 4686 PWs) bands (ev): -28.0026 -28.0026 -20.4595 -20.4595 -17.3118 -17.3086 -17.0653 -17.0651 -14.2661 -14.2507 -14.0955 -14.0953 -10.6879 -10.6286 -9.6422 -9.5779 -9.4345 -9.4192 -5.2962 -5.2465 -4.4956 -4.4771 -4.4606 -4.3703 -2.6088 -2.6002 -1.3725 -1.3682 -1.1463 -1.1276 -1.0441 -1.0357 0.8137 0.8138 1.4084 1.4395 1.6433 1.6659 2.0220 2.0339 2.6406 2.6464 2.7587 2.7627 2.9980 3.0104 3.7209 3.7272 10.1976 10.2014 11.3292 11.3410 11.8441 11.8560 12.2268 12.2438 12.2734 12.2899 k = 0.2500 0.4330 0.5532 ( 4692 PWs) bands (ev): -28.0027 -28.0027 -20.4596 -20.4596 -17.3111 -17.3081 -17.0651 -17.0649 -14.2604 -14.2456 -14.0975 -14.0973 -10.6898 -10.6330 -9.6452 -9.5839 -9.4353 -9.4208 -5.2958 -5.2488 -4.4992 -4.4737 -4.4655 -4.3720 -2.6112 -2.6031 -1.3661 -1.3620 -1.1503 -1.1325 -1.0487 -1.0408 0.8146 0.8147 1.4172 1.4485 1.6393 1.6624 2.0416 2.0525 2.6508 2.6568 2.7603 2.7643 2.9978 3.0098 3.7346 3.7406 10.1838 10.1875 11.2943 11.3054 11.8365 11.8458 12.1985 12.2145 12.2336 12.2481 k = 0.2417 0.4186 0.5532 ( 4680 PWs) bands (ev): -28.0028 -28.0028 -20.4598 -20.4598 -17.3103 -17.3074 -17.0648 -17.0646 -14.2542 -14.2400 -14.0995 -14.0993 -10.6919 -10.6378 -9.6487 -9.5903 -9.4362 -9.4225 -5.2955 -5.2512 -4.5033 -4.4716 -4.4694 -4.3737 -2.6137 -2.6061 -1.3592 -1.3553 -1.1546 -1.1377 -1.0534 -1.0460 0.8156 0.8157 1.4263 1.4578 1.6349 1.6587 2.0638 2.0736 2.6616 2.6677 2.7624 2.7663 2.9978 3.0093 3.7497 3.7554 10.1686 10.1721 11.2589 11.2694 11.8246 11.8313 12.1675 12.1808 12.1920 12.2029 k = 0.2333 0.4041 0.5532 ( 4680 PWs) bands (ev): -28.0029 -28.0029 -20.4600 -20.4600 -17.3095 -17.3068 -17.0644 -17.0643 -14.2476 -14.2341 -14.1015 -14.1012 -10.6944 -10.6431 -9.6526 -9.5974 -9.4373 -9.4244 -5.2954 -5.2540 -4.5080 -4.4773 -4.4660 -4.3754 -2.6162 -2.6091 -1.3516 -1.3480 -1.1592 -1.1433 -1.0583 -1.0515 0.8166 0.8166 1.4356 1.4673 1.6303 1.6547 2.0884 2.0971 2.6729 2.6791 2.7650 2.7690 2.9977 3.0087 3.7660 3.7715 10.1521 10.1555 11.2229 11.2327 11.8090 11.8130 12.1316 12.1362 12.1561 12.1577 k = 0.2250 0.3897 0.5532 ( 4672 PWs) bands (ev): -28.0030 -28.0030 -20.4602 -20.4602 -17.3085 -17.3060 -17.0641 -17.0639 -14.2406 -14.2280 -14.1034 -14.1031 -10.6971 -10.6488 -9.6568 -9.6049 -9.4385 -9.4264 -5.2954 -5.2569 -4.5131 -4.4840 -4.4619 -4.3771 -2.6187 -2.6122 -1.3436 -1.3403 -1.1640 -1.1491 -1.0633 -1.0570 0.8176 0.8177 1.4449 1.4768 1.6253 1.6504 2.1154 2.1230 2.6846 2.6909 2.7684 2.7723 2.9977 3.0083 3.7836 3.7888 10.1343 10.1376 11.1863 11.1954 11.7901 11.7917 12.0855 12.0863 12.1182 12.1228 k = 0.2167 0.3753 0.5532 ( 4676 PWs) bands (ev): -28.0031 -28.0031 -20.4604 -20.4604 -17.3076 -17.3052 -17.0637 -17.0635 -14.2334 -14.2216 -14.1053 -14.1050 -10.7001 -10.6548 -9.6615 -9.6129 -9.4397 -9.4285 -5.2956 -5.2601 -4.5187 -4.4912 -4.4578 -4.3788 -2.6212 -2.6152 -1.3351 -1.3320 -1.1689 -1.1551 -1.0682 -1.0626 0.8186 0.8187 1.4541 1.4863 1.6201 1.6459 2.1447 2.1512 2.6966 2.7031 2.7725 2.7764 2.9977 3.0078 3.8024 3.8073 10.1155 10.1186 11.1490 11.1574 11.7680 11.7685 12.0322 12.0338 12.0837 12.0898 k = 0.2083 0.3608 0.5532 ( 4676 PWs) bands (ev): -28.0032 -28.0032 -20.4606 -20.4606 -17.3065 -17.3044 -17.0633 -17.0631 -14.2259 -14.2149 -14.1069 -14.1067 -10.7033 -10.6612 -9.6665 -9.6213 -9.4411 -9.4307 -5.2960 -5.2635 -4.5248 -4.4990 -4.4535 -4.3804 -2.6236 -2.6181 -1.3261 -1.3234 -1.1739 -1.1611 -1.0732 -1.0681 0.8197 0.8197 1.4631 1.4956 1.6146 1.6412 2.1762 2.1816 2.7088 2.7154 2.7774 2.7813 2.9978 3.0074 3.8223 3.8269 10.0957 10.0986 11.1108 11.1185 11.7423 11.7449 11.9777 11.9785 12.0511 12.0571 k = 0.2000 0.3464 0.5532 ( 4676 PWs) bands (ev): -28.0033 -28.0033 -20.4609 -20.4609 -17.3054 -17.3034 -17.0628 -17.0627 -14.2183 -14.2082 -14.1085 -14.1082 -10.7069 -10.6678 -9.6719 -9.6301 -9.4426 -9.4331 -5.2967 -5.2671 -4.5313 -4.5072 -4.4491 -4.3820 -2.6258 -2.6209 -1.3167 -1.3143 -1.1790 -1.1673 -1.0781 -1.0736 0.8207 0.8208 1.4716 1.5044 1.6090 1.6364 2.2097 2.2140 2.7212 2.7279 2.7832 2.7871 2.9980 3.0071 3.8431 3.8474 10.0750 10.0777 11.0717 11.0787 11.7152 11.7196 11.9224 11.9230 12.0196 12.0250 k = 0.1917 0.3320 0.5532 ( 4676 PWs) bands (ev): -28.0035 -28.0035 -20.4611 -20.4611 -17.3043 -17.3025 -17.0624 -17.0623 -14.2105 -14.2013 -14.1098 -14.1097 -10.7106 -10.6747 -9.6776 -9.6392 -9.4441 -9.4355 -5.2976 -5.2710 -4.5382 -4.5159 -4.4447 -4.3835 -2.6279 -2.6234 -1.3070 -1.3049 -1.1841 -1.1735 -1.0828 -1.0790 0.8217 0.8218 1.4796 1.5128 1.6031 1.6314 2.2449 2.2482 2.7337 2.7404 2.7899 2.7938 2.9982 3.0068 3.8648 3.8689 10.0536 10.0561 11.0318 11.0379 11.6871 11.6931 11.8667 11.8688 11.9893 11.9939 k = 0.1833 0.3175 0.5532 ( 4674 PWs) bands (ev): -28.0036 -28.0036 -20.4614 -20.4614 -17.3031 -17.3015 -17.0619 -17.0618 -14.2027 -14.1943 -14.1109 -14.1109 -10.7146 -10.6818 -9.6836 -9.6486 -9.4457 -9.4379 -5.2989 -5.2750 -4.5455 -4.5249 -4.4403 -4.3848 -2.6298 -2.6258 -1.2969 -1.2952 -1.1892 -1.1796 -1.0874 -1.0842 0.8228 0.8228 1.4869 1.5206 1.5971 1.6263 2.2816 2.2840 2.7463 2.7530 2.7975 2.8014 2.9985 3.0066 3.8873 3.8911 10.0315 10.0339 10.9908 10.9963 11.6582 11.6657 11.8121 11.8157 11.9602 11.9641 k = 0.1750 0.3031 0.5532 ( 4686 PWs) bands (ev): -28.0037 -28.0037 -20.4617 -20.4617 -17.3019 -17.3004 -17.0614 -17.0614 -14.1948 -14.1874 -14.1120 -14.1119 -10.7188 -10.6891 -9.6898 -9.6581 -9.4474 -9.4404 -5.3004 -5.2792 -4.5530 -4.5341 -4.4360 -4.3861 -2.6314 -2.6279 -1.2866 -1.2852 -1.1942 -1.1856 -1.0919 -1.0892 0.8237 0.8238 1.4935 1.5276 1.5911 1.6212 2.3197 2.3211 2.7588 2.7654 2.8061 2.8099 2.9988 3.0065 3.9105 3.9139 10.0090 10.0111 10.9491 10.9537 11.6290 11.6378 11.7592 11.7643 11.9328 11.9359 k = 0.1667 0.2887 0.5532 ( 4674 PWs) bands (ev): -28.0039 -28.0039 -20.4619 -20.4619 -17.3006 -17.2993 -17.0609 -17.0609 -14.1870 -14.1805 -14.1128 -14.1125 -10.7232 -10.6965 -9.6962 -9.6678 -9.4491 -9.4428 -5.3022 -5.2836 -4.5607 -4.5436 -4.4317 -4.3873 -2.6329 -2.6298 -1.2761 -1.2751 -1.1991 -1.1915 -1.0961 -1.0939 0.8247 0.8247 1.4994 1.5340 1.5849 1.6159 2.3588 2.3594 2.7712 2.7778 2.8155 2.8193 2.9992 3.0064 3.9342 3.9373 9.9860 9.9880 10.9066 10.9105 11.5998 11.6097 11.7086 11.7152 11.9071 11.9096 k = 0.1583 0.2742 0.5532 ( 4678 PWs) bands (ev): -28.0040 -28.0040 -20.4622 -20.4622 -17.2994 -17.2982 -17.0604 -17.0604 -14.1793 -14.1737 -14.1134 -14.1130 -10.7278 -10.7040 -9.7028 -9.6776 -9.4508 -9.4453 -5.3044 -5.2882 -4.5686 -4.5533 -4.4275 -4.3883 -2.6341 -2.6314 -1.2655 -1.2648 -1.2038 -1.1972 -1.1001 -1.0984 0.8256 0.8256 1.5044 1.5395 1.5788 1.6107 2.3985 2.3986 2.7834 2.7899 2.8258 2.8296 2.9996 3.0064 3.9583 3.9611 9.9629 9.9647 10.8635 10.8668 11.5706 11.5815 11.6605 11.6685 11.8835 11.8854 k = 0.1500 0.2598 0.5532 ( 4682 PWs) bands (ev): -28.0042 -28.0042 -20.4625 -20.4625 -17.2981 -17.2971 -17.0599 -17.0599 -14.1717 -14.1671 -14.1139 -14.1132 -10.7325 -10.7114 -9.7095 -9.6873 -9.4525 -9.4478 -5.3068 -5.2929 -4.5766 -4.5629 -4.4235 -4.3892 -2.6350 -2.6327 -1.2548 -1.2545 -1.2084 -1.2026 -1.1039 -1.1027 0.8265 0.8265 1.5086 1.5441 1.5726 1.6054 2.4381 2.4389 2.7955 2.8018 2.8368 2.8405 3.0001 3.0064 3.9826 3.9851 9.9397 9.9412 10.8201 10.8228 11.5419 11.5537 11.6152 11.6244 11.8621 11.8634 k = 0.1417 0.2454 0.5532 ( 4698 PWs) bands (ev): -28.0043 -28.0043 -20.4628 -20.4628 -17.2968 -17.2959 -17.0595 -17.0594 -14.1643 -14.1606 -14.1141 -14.1132 -10.7372 -10.7189 -9.7163 -9.6970 -9.4543 -9.4502 -5.3095 -5.2977 -4.5846 -4.5726 -4.4196 -4.3899 -2.6358 -2.6338 -1.2442 -1.2442 -1.2127 -1.2078 -1.1074 -1.1066 0.8273 0.8273 1.5120 1.5479 1.5665 1.6002 2.4779 2.4793 2.8072 2.8134 2.8485 2.8522 3.0006 3.0065 4.0070 4.0092 9.9164 9.9178 10.7768 10.7789 11.5137 11.5262 11.5728 11.5832 11.8432 11.8440 k = 0.1333 0.2309 0.5532 ( 4702 PWs) bands (ev): -28.0045 -28.0045 -20.4630 -20.4630 -17.2955 -17.2948 -17.0590 -17.0589 -14.1572 -14.1543 -14.1141 -14.1130 -10.7420 -10.7262 -9.7231 -9.7065 -9.4560 -9.4525 -5.3125 -5.3026 -4.5926 -4.5821 -4.4159 -4.3905 -2.6363 -2.6346 -1.2342 -1.2336 -1.2166 -1.2128 -1.1107 -1.1102 0.8281 0.8281 1.5145 1.5509 1.5606 1.5950 2.5177 2.5196 2.8187 2.8247 2.8608 2.8643 3.0012 3.0066 4.0314 4.0333 9.8934 9.8946 10.7338 10.7355 11.4863 11.4993 11.5335 11.5448 11.8268 11.8272 k = 0.1250 0.2165 0.5532 ( 4702 PWs) bands (ev): -28.0046 -28.0046 -20.4633 -20.4633 -17.2943 -17.2937 -17.0585 -17.0584 -14.1504 -14.1483 -14.1139 -14.1126 -10.7469 -10.7334 -9.7299 -9.7158 -9.4577 -9.4548 -5.3157 -5.3075 -4.6004 -4.5914 -4.4124 -4.3910 -2.6366 -2.6352 -1.2256 -1.2233 -1.2190 -1.2174 -1.1137 -1.1135 0.8288 0.8288 1.5163 1.5524 1.5555 1.5899 2.5571 2.5594 2.8298 2.8355 2.8734 2.8769 3.0017 3.0068 4.0555 4.0572 9.8706 9.8717 10.6916 10.6928 11.4598 11.4731 11.4973 11.5092 11.8131 11.8132 k = 0.1167 0.2021 0.5532 ( 4710 PWs) bands (ev): -28.0048 -28.0048 -20.4636 -20.4636 -17.2931 -17.2925 -17.0580 -17.0580 -14.1439 -14.1426 -14.1135 -14.1120 -10.7517 -10.7404 -9.7366 -9.7248 -9.4594 -9.4569 -5.3191 -5.3124 -4.6080 -4.6004 -4.4091 -4.3913 -2.6368 -2.6356 -1.2256 -1.2218 -1.2130 -1.2127 -1.1165 -1.1164 0.8295 0.8295 1.5174 1.5484 1.5552 1.5849 2.5957 2.5983 2.8406 2.8460 2.8864 2.8897 3.0024 3.0070 4.0792 4.0806 9.8483 9.8492 10.6504 10.6513 11.4343 11.4476 11.4642 11.4763 11.8021 11.8024 k = 0.1083 0.1876 0.5532 ( 4706 PWs) bands (ev): -28.0049 -28.0049 -20.4639 -20.4639 -17.2919 -17.2914 -17.0575 -17.0575 -14.1378 -14.1372 -14.1129 -14.1112 -10.7565 -10.7472 -9.7432 -9.7335 -9.4610 -9.4590 -5.3227 -5.3173 -4.6154 -4.6090 -4.4060 -4.3915 -2.6368 -2.6358 -1.2286 -1.2258 -1.2035 -1.2032 -1.1192 -1.1188 0.8302 0.8302 1.5179 1.5431 1.5560 1.5800 2.6333 2.6362 2.8509 2.8560 2.8994 2.9026 3.0030 3.0073 4.1024 4.1036 9.8266 9.8274 10.6107 10.6114 11.4101 11.4226 11.4345 11.4462 11.7941 11.7946 k = 0.1000 0.1732 0.5532 ( 4704 PWs) bands (ev): -28.0051 -28.0051 -20.4641 -20.4641 -17.2907 -17.2904 -17.0571 -17.0570 -14.1322 -14.1320 -14.1122 -14.1102 -10.7611 -10.7536 -9.7496 -9.7417 -9.4625 -9.4609 -5.3263 -5.3221 -4.6224 -4.6173 -4.4032 -4.3916 -2.6366 -2.6359 -1.2316 -1.2294 -1.1943 -1.1937 -1.1216 -1.1210 0.8308 0.8308 1.5179 1.5379 1.5562 1.5753 2.6695 2.6725 2.8608 2.8656 2.9124 2.9154 3.0037 3.0075 4.1248 4.1258 9.8056 9.8062 10.5728 10.5733 11.3871 11.3981 11.4083 11.4186 11.7892 11.7899 k = 0.0917 0.1588 0.5532 ( 4704 PWs) bands (ev): -28.0052 -28.0052 -20.4643 -20.4643 -17.2896 -17.2894 -17.0566 -17.0566 -14.1275 -14.1267 -14.1114 -14.1092 -10.7656 -10.7597 -9.7557 -9.7495 -9.4640 -9.4628 -5.3300 -5.3267 -4.6291 -4.6250 -4.4006 -4.3915 -2.6364 -2.6358 -1.2344 -1.2327 -1.1855 -1.1848 -1.1237 -1.1230 0.8313 0.8313 1.5174 1.5329 1.5560 1.5709 2.7040 2.7070 2.8703 2.8747 2.9252 2.9279 3.0044 3.0079 4.1463 4.1470 9.7855 9.7860 10.5371 10.5374 11.3656 11.3742 11.3854 11.3935 11.7875 11.7884 k = 0.0833 0.1443 0.5532 ( 4704 PWs) bands (ev): -28.0053 -28.0053 -20.4646 -20.4646 -17.2886 -17.2884 -17.0562 -17.0562 -14.1232 -14.1219 -14.1105 -14.1080 -10.7699 -10.7654 -9.7615 -9.7568 -9.4654 -9.4644 -5.3336 -5.3312 -4.6353 -4.6322 -4.3983 -4.3914 -2.6361 -2.6356 -1.2370 -1.2357 -1.1772 -1.1764 -1.1255 -1.1247 0.8318 0.8318 1.5165 1.5283 1.5554 1.5667 2.7364 2.7394 2.8793 2.8833 2.9375 2.9401 3.0051 3.0082 4.1666 4.1672 9.7664 9.7668 10.5038 10.5040 11.3456 11.3519 11.3649 11.3708 11.7892 11.7902 k = 0.0750 0.1299 0.5532 ( 4704 PWs) bands (ev): -28.0054 -28.0054 -20.4648 -20.4648 -17.2877 -17.2875 -17.0559 -17.0559 -14.1193 -14.1176 -14.1094 -14.1069 -10.7740 -10.7706 -9.7670 -9.7635 -9.4667 -9.4660 -5.3372 -5.3354 -4.6411 -4.6387 -4.3963 -4.3912 -2.6357 -2.6354 -1.2393 -1.2384 -1.1694 -1.1686 -1.1270 -1.1262 0.8323 0.8323 1.5154 1.5241 1.5545 1.5628 2.7664 2.7692 2.8880 2.8916 2.9492 2.9515 3.0059 3.0086 4.1857 4.1861 9.7484 9.7487 10.4731 10.4732 11.3272 11.3317 11.3463 11.3505 11.7942 11.7952 k = 0.0667 0.1155 0.5532 ( 4716 PWs) bands (ev): -28.0055 -28.0055 -20.4650 -20.4650 -17.2868 -17.2867 -17.0555 -17.0555 -14.1157 -14.1137 -14.1084 -14.1057 -10.7778 -10.7754 -9.7721 -9.7696 -9.4679 -9.4674 -5.3406 -5.3394 -4.6464 -4.6447 -4.3946 -4.3909 -2.6353 -2.6351 -1.2414 -1.2407 -1.1624 -1.1615 -1.1283 -1.1274 0.8327 0.8327 1.5141 1.5202 1.5534 1.5593 2.7936 2.7961 2.8963 2.8994 2.9601 2.9622 3.0067 3.0090 4.2033 4.2036 9.7319 9.7321 10.4452 10.4453 11.3106 11.3135 11.3297 11.3324 11.8026 11.8036 k = 0.0583 0.1010 0.5532 ( 4712 PWs) bands (ev): -28.0056 -28.0056 -20.4651 -20.4651 -17.2860 -17.2860 -17.0552 -17.0552 -14.1126 -14.1103 -14.1073 -14.1046 -10.7813 -10.7797 -9.7767 -9.7750 -9.4689 -9.4686 -5.3438 -5.3430 -4.6511 -4.6500 -4.3930 -4.3906 -2.6349 -2.6347 -1.2432 -1.2427 -1.1560 -1.1552 -1.1292 -1.1284 0.8330 0.8330 1.5127 1.5168 1.5521 1.5561 2.8177 2.8198 2.9045 2.9070 2.9701 2.9718 3.0076 3.0096 4.2192 4.2195 9.7168 9.7169 10.4203 10.4204 11.2957 11.2976 11.3148 11.3166 11.8143 11.8153 k = 0.0500 0.0866 0.5532 ( 4718 PWs) bands (ev): -28.0057 -28.0057 -20.4653 -20.4653 -17.2853 -17.2853 -17.0549 -17.0549 -14.1099 -14.1075 -14.1062 -14.1036 -10.7845 -10.7834 -9.7808 -9.7797 -9.4699 -9.4697 -5.3468 -5.3462 -4.6553 -4.6546 -4.3918 -4.3902 -2.6345 -2.6344 -1.2448 -1.2445 -1.1505 -1.1498 -1.1299 -1.1292 0.8334 0.8334 1.5112 1.5138 1.5508 1.5533 2.8383 2.8399 2.9125 2.9144 2.9788 2.9802 3.0086 3.0102 4.2334 4.2336 9.7034 9.7034 10.3986 10.3986 11.2827 11.2838 11.3019 11.3029 11.8293 11.8302 k = 0.0417 0.0722 0.5532 ( 4706 PWs) bands (ev): -28.0058 -28.0058 -20.4654 -20.4654 -17.2847 -17.2847 -17.0547 -17.0547 -14.1075 -14.1053 -14.1050 -14.1026 -10.7872 -10.7866 -9.7844 -9.7838 -9.4707 -9.4706 -5.3494 -5.3491 -4.6589 -4.6585 -4.3908 -4.3898 -2.6341 -2.6341 -1.2461 -1.2459 -1.1459 -1.1453 -1.1302 -1.1296 0.8336 0.8336 1.5098 1.5113 1.5495 1.5510 2.8551 2.8563 2.9204 2.9217 2.9861 2.9872 3.0099 3.0110 4.2457 4.2457 9.6917 9.6918 10.3801 10.3801 11.2715 11.2721 11.2909 11.2914 11.8474 11.8482 k = 0.0333 0.0577 0.5532 ( 4716 PWs) bands (ev): -28.0058 -28.0058 -20.4655 -20.4655 -17.2843 -17.2842 -17.0545 -17.0545 -14.1056 -14.1043 -14.1032 -14.1018 -10.7895 -10.7892 -9.7874 -9.7871 -9.4714 -9.4713 -5.3516 -5.3514 -4.6619 -4.6617 -4.3900 -4.3895 -2.6338 -2.6338 -1.2471 -1.2470 -1.1423 -1.1419 -1.1302 -1.1298 0.8338 0.8338 1.5085 1.5093 1.5483 1.5491 2.8681 2.8688 2.9279 2.9286 2.9919 2.9926 3.0114 3.0122 4.2559 4.2559 9.6820 9.6820 10.3649 10.3649 11.2624 11.2626 11.2818 11.2820 11.8684 11.8690 k = 0.0250 0.0433 0.5532 ( 4720 PWs) bands (ev): -28.0059 -28.0059 -20.4656 -20.4656 -17.2839 -17.2839 -17.0544 -17.0544 -14.1042 -14.1035 -14.1018 -14.1012 -10.7913 -10.7912 -9.7898 -9.7897 -9.4719 -9.4719 -5.3533 -5.3533 -4.6642 -4.6641 -4.3894 -4.3892 -2.6335 -2.6335 -1.2480 -1.2479 -1.1398 -1.1396 -1.1297 -1.1295 0.8340 0.8340 1.5073 1.5077 1.5473 1.5476 2.8775 2.8778 2.9346 2.9350 2.9960 2.9963 3.0132 3.0135 4.2639 4.2639 9.6743 9.6743 10.3530 10.3530 11.2552 11.2553 11.2747 11.2748 11.8914 11.8920 k = 0.0167 0.0289 0.5532 ( 4728 PWs) bands (ev): -28.0059 -28.0059 -20.4657 -20.4657 -17.2836 -17.2836 -17.0542 -17.0542 -14.1031 -14.1029 -14.1009 -14.1007 -10.7927 -10.7927 -9.7916 -9.7915 -9.4723 -9.4723 -5.3546 -5.3546 -4.6659 -4.6659 -4.3890 -4.3889 -2.6333 -2.6333 -1.2485 -1.2485 -1.1383 -1.1383 -1.1290 -1.1290 0.8341 0.8341 1.5065 1.5066 1.5465 1.5466 2.8838 2.8838 2.9400 2.9401 2.9985 2.9986 3.0148 3.0150 4.2697 4.2697 9.6687 9.6687 10.3445 10.3445 11.2500 11.2500 11.2696 11.2696 11.9149 11.9152 k = 0.0083 0.0144 0.5532 ( 4732 PWs) bands (ev): -28.0059 -28.0059 -20.4657 -20.4657 -17.2834 -17.2834 -17.0542 -17.0542 -14.1026 -14.1025 -14.1003 -14.1003 -10.7935 -10.7935 -9.7926 -9.7926 -9.4726 -9.4726 -5.3554 -5.3554 -4.6670 -4.6670 -4.3888 -4.3888 -2.6332 -2.6332 -1.2489 -1.2489 -1.1376 -1.1376 -1.1285 -1.1285 0.8342 0.8342 1.5059 1.5059 1.5460 1.5460 2.8873 2.8873 2.9434 2.9434 2.9998 2.9999 3.0160 3.0160 4.2732 4.2732 9.6654 9.6654 10.3394 10.3394 11.2469 11.2469 11.2665 11.2665 11.9330 11.9331 k = 0.0000 0.0000 0.5532 ( 4748 PWs) bands (ev): -28.0060 -28.0060 -20.4657 -20.4657 -17.2834 -17.2834 -17.0542 -17.0542 -14.1024 -14.1024 -14.1002 -14.1002 -10.7938 -10.7938 -9.7930 -9.7930 -9.4727 -9.4727 -5.3557 -5.3557 -4.6673 -4.6673 -4.3887 -4.3887 -2.6332 -2.6332 -1.2490 -1.2490 -1.1374 -1.1374 -1.1283 -1.1283 0.8342 0.8342 1.5057 1.5057 1.5458 1.5458 2.8884 2.8884 2.9445 2.9445 3.0002 3.0002 3.0164 3.0164 4.2744 4.2744 9.6642 9.6642 10.3376 10.3376 11.2458 11.2458 11.2655 11.2655 11.9382 11.9382 k = 0.5000 0.2887 0.5532 ( 4680 PWs) bands (ev): -28.0027 -28.0027 -20.4596 -20.4596 -17.3099 -17.3099 -17.0650 -17.0650 -14.1960 -14.1960 -14.1559 -14.1559 -10.6607 -10.6607 -9.6143 -9.6143 -9.4268 -9.4268 -5.2701 -5.2701 -4.4793 -4.4793 -4.4228 -4.4228 -2.6125 -2.6125 -1.3171 -1.3171 -1.1486 -1.1486 -1.1030 -1.1030 0.8156 0.8156 1.5050 1.5050 1.6038 1.6038 1.9893 1.9893 2.7224 2.7224 2.7506 2.7506 2.9953 2.9953 3.7557 3.7557 10.1781 10.1781 11.2106 11.2106 11.9066 11.9066 12.0854 12.0854 12.4100 12.4100 k = 0.5000 0.2887 0.5365 ( 4686 PWs) bands (ev): -28.0027 -28.0027 -20.4597 -20.4597 -17.3100 -17.3099 -17.0646 -17.0646 -14.1959 -14.1959 -14.1559 -14.1559 -10.6610 -10.6610 -9.6144 -9.6143 -9.4278 -9.4277 -5.2704 -5.2697 -4.4800 -4.4780 -4.4228 -4.4227 -2.6135 -2.6114 -1.3187 -1.3172 -1.1498 -1.1471 -1.1029 -1.1029 0.8179 0.8181 1.5052 1.5053 1.6040 1.6041 1.9889 1.9893 2.7224 2.7225 2.7507 2.7516 2.9949 2.9951 3.7556 3.7558 10.1773 10.1774 11.2069 11.2080 11.9043 11.9046 12.0799 12.0846 12.4102 12.4123 k = 0.5000 0.2887 0.5197 ( 4692 PWs) bands (ev): -28.0028 -28.0028 -20.4597 -20.4597 -17.3100 -17.3100 -17.0634 -17.0634 -14.1958 -14.1958 -14.1559 -14.1559 -10.6620 -10.6619 -9.6145 -9.6144 -9.4308 -9.4305 -5.2705 -5.2690 -4.4803 -4.4763 -4.4227 -4.4226 -2.6143 -2.6102 -1.3218 -1.3188 -1.1506 -1.1453 -1.1025 -1.1025 0.8251 0.8253 1.5060 1.5060 1.6048 1.6049 1.9883 1.9891 2.7224 2.7226 2.7520 2.7536 2.9938 2.9942 3.7557 3.7560 10.1750 10.1751 11.1970 11.1991 11.8978 11.8985 12.0687 12.0777 12.4129 12.4167 k = 0.5000 0.2887 0.5029 ( 4696 PWs) bands (ev): -28.0029 -28.0029 -20.4598 -20.4598 -17.3100 -17.3100 -17.0615 -17.0615 -14.1956 -14.1956 -14.1560 -14.1560 -10.6635 -10.6634 -9.6146 -9.6146 -9.4357 -9.4353 -5.2703 -5.2681 -4.4800 -4.4740 -4.4226 -4.4224 -2.6151 -2.6089 -1.3263 -1.3221 -1.1510 -1.1433 -1.1019 -1.1018 0.8369 0.8373 1.5072 1.5073 1.6061 1.6063 1.9874 1.9886 2.7224 2.7227 2.7543 2.7568 2.9921 2.9927 3.7559 3.7563 10.1712 10.1715 11.1811 11.1841 11.8875 11.8883 12.0527 12.0653 12.4172 12.4221 k = 0.5000 0.2887 0.4862 ( 4696 PWs) bands (ev): -28.0030 -28.0030 -20.4599 -20.4599 -17.3100 -17.3100 -17.0588 -17.0587 -14.1954 -14.1953 -14.1561 -14.1560 -10.6656 -10.6655 -9.6148 -9.6148 -9.4424 -9.4419 -5.2699 -5.2670 -4.4791 -4.4712 -4.4224 -4.4221 -2.6157 -2.6075 -1.3321 -1.3270 -1.1511 -1.1413 -1.1010 -1.1009 0.8534 0.8540 1.5090 1.5091 1.6080 1.6082 1.9862 1.9878 2.7225 2.7229 2.7577 2.7610 2.9897 2.9905 3.7561 3.7567 10.1661 10.1664 11.1595 11.1633 11.8734 11.8744 12.0330 12.0483 12.4218 12.4273 k = 0.5000 0.2887 0.4694 ( 4704 PWs) bands (ev): -28.0032 -28.0032 -20.4601 -20.4601 -17.3101 -17.3100 -17.0554 -17.0553 -14.1950 -14.1949 -14.1562 -14.1561 -10.6683 -10.6682 -9.6152 -9.6151 -9.4508 -9.4502 -5.2694 -5.2657 -4.4778 -4.4680 -4.4222 -4.4217 -2.6162 -2.6060 -1.3391 -1.3333 -1.1508 -1.1392 -1.0999 -1.0997 0.8744 0.8751 1.5112 1.5114 1.6104 1.6107 1.9848 1.9868 2.7226 2.7231 2.7621 2.7662 2.9867 2.9877 3.7565 3.7572 10.1596 10.1599 11.1327 11.1371 11.8559 11.8571 12.0103 12.0278 12.4256 12.4311 k = 0.5000 0.2887 0.4526 ( 4702 PWs) bands (ev): -28.0034 -28.0034 -20.4603 -20.4603 -17.3101 -17.3100 -17.0513 -17.0512 -14.1946 -14.1945 -14.1563 -14.1562 -10.6716 -10.6714 -9.6155 -9.6155 -9.4609 -9.4602 -5.2686 -5.2642 -4.4761 -4.4643 -4.4219 -4.4212 -2.6167 -2.6045 -1.3472 -1.3410 -1.1503 -1.1371 -1.0985 -1.0983 0.8997 0.9006 1.5139 1.5141 1.6133 1.6136 1.9833 1.9855 2.7228 2.7234 2.7675 2.7723 2.9832 2.9844 3.7569 3.7578 10.1518 10.1522 11.1012 11.1061 11.8356 11.8367 11.9856 12.0044 12.4274 12.4324 k = 0.5000 0.2887 0.4359 ( 4696 PWs) bands (ev): -28.0036 -28.0036 -20.4605 -20.4605 -17.3102 -17.3101 -17.0464 -17.0463 -14.1941 -14.1940 -14.1564 -14.1564 -10.6755 -10.6753 -9.6160 -9.6159 -9.4725 -9.4716 -5.2676 -5.2626 -4.4738 -4.4601 -4.4216 -4.4205 -2.6170 -2.6030 -1.3563 -1.3500 -1.1495 -1.1351 -1.0969 -1.0967 0.9292 0.9301 1.5170 1.5173 1.6166 1.6170 1.9815 1.9840 2.7230 2.7237 2.7739 2.7792 2.9790 2.9804 3.7574 3.7584 10.1430 10.1433 11.0655 11.0707 11.8126 11.8137 11.9592 11.9790 12.4265 12.4305 k = 0.5000 0.2887 0.4191 ( 4692 PWs) bands (ev): -28.0039 -28.0039 -20.4607 -20.4607 -17.3102 -17.3101 -17.0410 -17.0409 -14.1936 -14.1934 -14.1565 -14.1565 -10.6799 -10.6797 -9.6166 -9.6165 -9.4854 -9.4844 -5.2664 -5.2608 -4.4711 -4.4555 -4.4212 -4.4198 -2.6173 -2.6014 -1.3663 -1.3601 -1.1485 -1.1332 -1.0951 -1.0948 0.9625 0.9636 1.5206 1.5208 1.6204 1.6209 1.9796 1.9823 2.7233 2.7240 2.7811 2.7870 2.9744 2.9759 3.7579 3.7591 10.1331 10.1334 11.0262 11.0316 11.7875 11.7885 11.9317 11.9519 12.4224 12.4252 k = 0.5000 0.2887 0.4024 ( 4692 PWs) bands (ev): -28.0042 -28.0042 -20.4610 -20.4610 -17.3103 -17.3102 -17.0350 -17.0348 -14.1930 -14.1928 -14.1567 -14.1566 -10.6850 -10.6847 -9.6173 -9.6172 -9.4994 -9.4983 -5.2651 -5.2589 -4.4680 -4.4506 -4.4207 -4.4190 -2.6175 -2.5999 -1.3769 -1.3711 -1.1474 -1.1314 -1.0931 -1.0928 0.9994 1.0006 1.5245 1.5247 1.6247 1.6251 1.9776 1.9804 2.7236 2.7244 2.7890 2.7955 2.9692 2.9709 3.7585 3.7598 10.1223 10.1226 10.9839 10.9894 11.7607 11.7616 11.9031 11.9235 12.4150 12.4164 k = 0.5000 0.2887 0.3856 ( 4688 PWs) bands (ev): -28.0046 -28.0046 -20.4613 -20.4613 -17.3103 -17.3102 -17.0284 -17.0282 -14.1923 -14.1921 -14.1568 -14.1568 -10.6905 -10.6903 -9.6182 -9.6180 -9.5143 -9.5131 -5.2636 -5.2569 -4.4646 -4.4453 -4.4203 -4.4179 -2.6176 -2.5984 -1.3882 -1.3830 -1.1463 -1.1299 -1.0910 -1.0906 1.0396 1.0409 1.5287 1.5290 1.6293 1.6298 1.9755 1.9784 2.7239 2.7248 2.7977 2.8046 2.9635 2.9654 3.7592 3.7605 10.1108 10.1110 10.9393 10.9447 11.7325 11.7332 11.8738 11.8940 12.4044 12.4045 k = 0.5000 0.2887 0.3688 ( 4698 PWs) bands (ev): -28.0049 -28.0049 -20.4616 -20.4616 -17.3104 -17.3103 -17.0213 -17.0212 -14.1916 -14.1914 -14.1570 -14.1570 -10.6967 -10.6964 -9.6194 -9.6192 -9.5299 -9.5286 -5.2619 -5.2548 -4.4609 -4.4397 -4.4197 -4.4167 -2.6177 -2.5971 -1.4000 -1.3955 -1.1451 -1.1285 -1.0887 -1.0882 1.0827 1.0842 1.5333 1.5335 1.6342 1.6348 1.9733 1.9763 2.7244 2.7254 2.8069 2.8142 2.9575 2.9595 3.7599 3.7613 10.0988 10.0988 10.8928 10.8980 11.7032 11.7038 11.8437 11.8636 12.3898 12.3912 k = 0.5000 0.2887 0.3521 ( 4694 PWs) bands (ev): -28.0053 -28.0053 -20.4619 -20.4619 -17.3105 -17.3103 -17.0138 -17.0137 -14.1909 -14.1906 -14.1572 -14.1572 -10.7033 -10.7029 -9.6210 -9.6207 -9.5457 -9.5443 -5.2602 -5.2527 -4.4570 -4.4339 -4.4191 -4.4153 -2.6178 -2.5958 -1.4122 -1.4085 -1.1439 -1.1273 -1.0862 -1.0857 1.1285 1.1300 1.5381 1.5383 1.6395 1.6400 1.9711 1.9740 2.7249 2.7259 2.8167 2.8243 2.9511 2.9532 3.7606 3.7620 10.0861 10.0863 10.8451 10.8500 11.6732 11.6737 11.8129 11.8323 12.3730 12.3757 k = 0.5000 0.2887 0.3353 ( 4690 PWs) bands (ev): -28.0057 -28.0057 -20.4622 -20.4622 -17.3105 -17.3104 -17.0060 -17.0058 -14.1901 -14.1898 -14.1574 -14.1573 -10.7103 -10.7100 -9.6232 -9.6228 -9.5615 -9.5599 -5.2583 -5.2504 -4.4529 -4.4282 -4.4181 -4.4136 -2.6180 -2.5947 -1.4246 -1.4218 -1.1428 -1.1263 -1.0836 -1.0831 1.1764 1.1780 1.5431 1.5432 1.6450 1.6456 1.9689 1.9717 2.7254 2.7266 2.8268 2.8347 2.9443 2.9466 3.7613 3.7628 10.0732 10.0736 10.7965 10.8011 11.6428 11.6432 11.7815 11.8002 12.3546 12.3584 k = 0.5000 0.2887 0.3185 ( 4682 PWs) bands (ev): -28.0061 -28.0061 -20.4626 -20.4626 -17.3106 -17.3105 -16.9978 -16.9977 -14.1893 -14.1890 -14.1576 -14.1575 -10.7179 -10.7175 -9.6267 -9.6262 -9.5763 -9.5747 -5.2563 -5.2482 -4.4488 -4.4231 -4.4163 -4.4116 -2.6181 -2.5938 -1.4373 -1.4354 -1.1417 -1.1254 -1.0809 -1.0804 1.2261 1.2279 1.5483 1.5484 1.6507 1.6513 1.9667 1.9694 2.7261 2.7273 2.8373 2.8453 2.9373 2.9397 3.7620 3.7636 10.0602 10.0608 10.7476 10.7517 11.6123 11.6126 11.7496 11.7675 12.3351 12.3398 k = 0.5000 0.2887 0.3018 ( 4690 PWs) bands (ev): -28.0066 -28.0066 -20.4630 -20.4629 -17.3107 -17.3106 -16.9894 -16.9893 -14.1884 -14.1882 -14.1578 -14.1577 -10.7258 -10.7254 -9.6322 -9.6317 -9.5891 -9.5874 -5.2542 -5.2459 -4.4447 -4.4202 -4.4122 -4.4091 -2.6182 -2.5931 -1.4500 -1.4490 -1.1407 -1.1248 -1.0782 -1.0776 1.2772 1.2790 1.5536 1.5536 1.6566 1.6572 1.9645 1.9671 2.7268 2.7282 2.8479 2.8561 2.9300 2.9326 3.7627 3.7643 10.0472 10.0481 10.6988 10.7024 11.5819 11.5821 11.7172 11.7343 12.3149 12.3204 k = 0.5000 0.2887 0.2850 ( 4694 PWs) bands (ev): -28.0070 -28.0070 -20.4633 -20.4633 -17.3107 -17.3106 -16.9809 -16.9807 -14.1876 -14.1874 -14.1580 -14.1579 -10.7340 -10.7337 -9.6409 -9.6406 -9.5986 -9.5970 -5.2521 -5.2437 -4.4409 -4.4190 -4.4063 -4.4062 -2.6184 -2.5926 -1.4626 -1.4626 -1.1397 -1.1243 -1.0754 -1.0748 1.3291 1.3310 1.5589 1.5591 1.6626 1.6632 1.9624 1.9648 2.7277 2.7291 2.8586 2.8669 2.9226 2.9253 3.7634 3.7650 10.0345 10.0357 10.6504 10.6534 11.5518 11.5519 11.6845 11.7005 12.2942 12.3006 k = 0.5000 0.2887 0.2682 ( 4698 PWs) bands (ev): -28.0074 -28.0074 -20.4637 -20.4637 -17.3108 -17.3107 -16.9723 -16.9721 -14.1868 -14.1865 -14.1582 -14.1581 -10.7425 -10.7422 -9.6527 -9.6527 -9.6046 -9.6033 -5.2500 -5.2415 -4.4374 -4.4182 -4.4028 -4.3999 -2.6186 -2.5923 -1.4760 -1.4751 -1.1389 -1.1240 -1.0726 -1.0720 1.3815 1.3834 1.5642 1.5647 1.6687 1.6693 1.9604 1.9624 2.7287 2.7301 2.8693 2.8776 2.9151 2.9180 3.7641 3.7656 10.0222 10.0237 10.6028 10.6051 11.5224 11.5224 11.6515 11.6665 12.2736 12.2806 k = 0.5000 0.2887 0.2515 ( 4686 PWs) bands (ev): -28.0078 -28.0078 -20.4640 -20.4640 -17.3109 -17.3108 -16.9636 -16.9635 -14.1859 -14.1857 -14.1584 -14.1583 -10.7512 -10.7509 -9.6667 -9.6665 -9.6082 -9.6071 -5.2478 -5.2393 -4.4343 -4.4176 -4.3988 -4.3934 -2.6189 -2.5924 -1.4890 -1.4873 -1.1381 -1.1239 -1.0698 -1.0692 1.4339 1.4356 1.5696 1.5705 1.6748 1.6754 1.9586 1.9602 2.7297 2.7312 2.8797 2.8881 2.9077 2.9108 3.7647 3.7662 10.0104 10.0122 10.5562 10.5579 11.4937 11.4938 11.6184 11.6324 12.2533 12.2609 k = 0.5000 0.2887 0.2347 ( 4704 PWs) bands (ev): -28.0083 -28.0083 -20.4644 -20.4644 -17.3110 -17.3109 -16.9551 -16.9550 -14.1851 -14.1849 -14.1586 -14.1585 -10.7601 -10.7597 -9.6815 -9.6812 -9.6105 -9.6096 -5.2456 -5.2373 -4.4316 -4.4171 -4.3943 -4.3869 -2.6192 -2.5927 -1.5016 -1.4992 -1.1374 -1.1239 -1.0670 -1.0664 1.4856 1.4868 1.5750 1.5767 1.6808 1.6814 1.9568 1.9580 2.7309 2.7325 2.8888 2.8961 2.9023 2.9046 3.7653 3.7668 9.9994 10.0016 10.5109 10.5119 11.4660 11.4661 11.5854 11.5983 12.2335 12.2417 k = 0.5000 0.2887 0.2179 ( 4700 PWs) bands (ev): -28.0087 -28.0087 -20.4648 -20.4647 -17.3110 -17.3109 -16.9467 -16.9466 -14.1843 -14.1841 -14.1588 -14.1587 -10.7689 -10.7686 -9.6963 -9.6959 -9.6120 -9.6113 -5.2434 -5.2353 -4.4292 -4.4167 -4.3893 -4.3805 -2.6195 -2.5933 -1.5137 -1.5106 -1.1367 -1.1240 -1.0643 -1.0637 1.5351 1.5359 1.5807 1.5847 1.6867 1.6873 1.9551 1.9558 2.7322 2.7338 2.8910 2.8912 2.9051 2.9097 3.7659 3.7673 9.9892 9.9918 10.4672 10.4675 11.4394 11.4396 11.5527 11.5646 12.2146 12.2233 k = 0.5000 0.2887 0.2012 ( 4696 PWs) bands (ev): -28.0091 -28.0091 -20.4651 -20.4651 -17.3111 -17.3110 -16.9386 -16.9385 -14.1835 -14.1833 -14.1590 -14.1589 -10.7777 -10.7774 -9.7107 -9.7102 -9.6132 -9.6126 -5.2413 -5.2334 -4.4272 -4.4163 -4.3841 -4.3743 -2.6198 -2.5942 -1.5252 -1.5216 -1.1361 -1.1242 -1.0616 -1.0611 1.5707 1.5774 1.5936 1.6038 1.6926 1.6931 1.9536 1.9537 2.7336 2.7353 2.8839 2.8854 2.9133 2.9191 3.7664 3.7678 9.9800 9.9830 10.4249 10.4252 11.4142 11.4144 11.5207 11.5314 12.1967 12.2059 k = 0.5000 0.2887 0.1844 ( 4704 PWs) bands (ev): -28.0095 -28.0095 -20.4654 -20.4654 -17.3112 -17.3111 -16.9308 -16.9307 -14.1828 -14.1826 -14.1591 -14.1591 -10.7863 -10.7860 -9.7245 -9.7239 -9.6141 -9.6136 -5.2392 -5.2317 -4.4255 -4.4160 -4.3787 -4.3684 -2.6201 -2.5953 -1.5359 -1.5319 -1.1356 -1.1246 -1.0591 -1.0586 1.5836 1.5874 1.6357 1.6435 1.6983 1.6989 1.9517 1.9523 2.7352 2.7369 2.8766 2.8785 2.9224 2.9283 3.7669 3.7682 9.9720 9.9753 10.3841 10.3851 11.3905 11.3907 11.4895 11.4991 12.1802 12.1898 k = 0.5000 0.2887 0.1676 ( 4706 PWs) bands (ev): -28.0098 -28.0098 -20.4657 -20.4657 -17.3112 -17.3111 -16.9233 -16.9232 -14.1821 -14.1819 -14.1593 -14.1592 -10.7947 -10.7944 -9.7373 -9.7368 -9.6149 -9.6144 -5.2372 -5.2301 -4.4240 -4.4157 -4.3733 -4.3627 -2.6204 -2.5967 -1.5458 -1.5416 -1.1352 -1.1251 -1.0567 -1.0562 1.5899 1.5923 1.6795 1.6859 1.7045 1.7055 1.9498 1.9511 2.7368 2.7385 2.8694 2.8714 2.9313 2.9370 3.7674 3.7686 9.9651 9.9688 10.3456 10.3472 11.3684 11.3686 11.4595 11.4681 12.1651 12.1751 k = 0.5000 0.2887 0.1509 ( 4704 PWs) bands (ev): -28.0102 -28.0102 -20.4660 -20.4660 -17.3113 -17.3112 -16.9163 -16.9163 -14.1814 -14.1812 -14.1594 -14.1594 -10.8027 -10.8024 -9.7492 -9.7487 -9.6155 -9.6151 -5.2353 -5.2286 -4.4227 -4.4155 -4.3679 -4.3575 -2.6206 -2.5983 -1.5548 -1.5505 -1.1348 -1.1256 -1.0544 -1.0540 1.5948 1.5966 1.7060 1.7068 1.7253 1.7317 1.9480 1.9502 2.7386 2.7403 2.8624 2.8645 2.9397 2.9450 3.7678 3.7689 9.9596 9.9635 10.3094 10.3115 11.3480 11.3482 11.4310 11.4385 12.1516 12.1621 k = 0.5000 0.2887 0.1341 ( 4704 PWs) bands (ev): -28.0105 -28.0105 -20.4663 -20.4663 -17.3113 -17.3113 -16.9099 -16.9098 -14.1808 -14.1806 -14.1596 -14.1595 -10.8101 -10.8099 -9.7601 -9.7596 -9.6160 -9.6157 -5.2334 -5.2274 -4.4216 -4.4153 -4.3627 -4.3528 -2.6207 -2.6001 -1.5629 -1.5587 -1.1344 -1.1261 -1.0523 -1.0519 1.5991 1.6004 1.7118 1.7122 1.7631 1.7703 1.9462 1.9494 2.7405 2.7421 2.8558 2.8579 2.9475 2.9524 3.7682 3.7692 9.9553 9.9595 10.2757 10.2783 11.3295 11.3297 11.4044 11.4109 12.1399 12.1509 k = 0.5000 0.2887 0.1174 ( 4700 PWs) bands (ev): -28.0108 -28.0108 -20.4665 -20.4665 -17.3114 -17.3113 -16.9040 -16.9040 -14.1803 -14.1801 -14.1597 -14.1596 -10.8170 -10.8168 -9.7697 -9.7693 -9.6165 -9.6162 -5.2317 -5.2263 -4.4205 -4.4152 -4.3578 -4.3486 -2.6207 -2.6021 -1.5701 -1.5661 -1.1340 -1.1268 -1.0504 -1.0501 1.6027 1.6038 1.7162 1.7166 1.7984 1.8062 1.9445 1.9488 2.7424 2.7440 2.8497 2.8516 2.9546 2.9590 3.7685 3.7694 9.9525 9.9568 10.2448 10.2478 11.3129 11.3131 11.3799 11.3855 12.1302 12.1415 k = 0.5000 0.2887 0.1006 ( 4700 PWs) bands (ev): -28.0110 -28.0110 -20.4667 -20.4667 -17.3114 -17.3113 -16.8988 -16.8988 -14.1798 -14.1796 -14.1598 -14.1597 -10.8232 -10.8230 -9.7782 -9.7778 -9.6168 -9.6166 -5.2302 -5.2254 -4.4196 -4.4151 -4.3532 -4.3449 -2.6205 -2.6041 -1.5763 -1.5726 -1.1336 -1.1274 -1.0487 -1.0484 1.6060 1.6068 1.7200 1.7203 1.8298 1.8384 1.9428 1.9484 2.7443 2.7459 2.8440 2.8458 2.9610 2.9649 3.7688 3.7696 9.9509 9.9552 10.2169 10.2201 11.2984 11.2986 11.3580 11.3627 12.1225 12.1342 k = 0.5000 0.2887 0.0838 ( 4692 PWs) bands (ev): -28.0112 -28.0112 -20.4669 -20.4669 -17.3114 -17.3114 -16.8943 -16.8943 -14.1794 -14.1793 -14.1598 -14.1598 -10.8286 -10.8285 -9.7854 -9.7851 -9.6171 -9.6169 -5.2288 -5.2247 -4.4188 -4.4151 -4.3491 -4.3419 -2.6202 -2.6061 -1.5815 -1.5782 -1.1333 -1.1280 -1.0472 -1.0470 1.6087 1.6094 1.7233 1.7235 1.8569 1.8665 1.9411 1.9482 2.7462 2.7476 2.8389 2.8406 2.9666 2.9698 3.7691 3.7697 9.9505 9.9546 10.1922 10.1955 11.2859 11.2862 11.3390 11.3428 12.1168 12.1290 k = 0.5000 0.2887 0.0671 ( 4694 PWs) bands (ev): -28.0114 -28.0114 -20.4671 -20.4671 -17.3114 -17.3114 -16.8906 -16.8905 -14.1790 -14.1789 -14.1599 -14.1599 -10.8332 -10.8331 -9.7913 -9.7911 -9.6173 -9.6172 -5.2275 -5.2242 -4.4181 -4.4151 -4.3455 -4.3395 -2.6197 -2.6082 -1.5857 -1.5829 -1.1329 -1.1287 -1.0460 -1.0458 1.6110 1.6115 1.7260 1.7261 1.8795 1.8903 1.9393 1.9481 2.7480 2.7493 2.8346 2.8360 2.9712 2.9739 3.7693 3.7698 9.9511 9.9549 10.1712 10.1743 11.2757 11.2759 11.3230 11.3260 12.1134 12.1260 k = 0.5000 0.2887 0.0503 ( 4690 PWs) bands (ev): -28.0115 -28.0115 -20.4672 -20.4672 -17.3115 -17.3114 -16.8876 -16.8876 -14.1788 -14.1787 -14.1600 -14.1599 -10.8368 -10.8367 -9.7960 -9.7957 -9.6175 -9.6174 -5.2264 -5.2239 -4.4175 -4.4153 -4.3424 -4.3378 -2.6190 -2.6102 -1.5889 -1.5867 -1.1325 -1.1293 -1.0450 -1.0449 1.6128 1.6132 1.7281 1.7282 1.8974 1.9095 1.9374 1.9480 2.7496 2.7506 2.8310 2.8322 2.9750 2.9770 3.7695 3.7699 9.9524 9.9556 10.1542 10.1569 11.2677 11.2678 11.3104 11.3126 12.1121 12.1250 k = 0.5000 0.2887 0.0335 ( 4696 PWs) bands (ev): -28.0116 -28.0116 -20.4673 -20.4673 -17.3115 -17.3114 -16.8855 -16.8855 -14.1786 -14.1785 -14.1600 -14.1600 -10.8394 -10.8393 -9.7993 -9.7991 -9.6176 -9.6176 -5.2255 -5.2238 -4.4169 -4.4154 -4.3399 -4.3368 -2.6180 -2.6121 -1.5910 -1.5895 -1.1320 -1.1299 -1.0443 -1.0442 1.6141 1.6143 1.7296 1.7297 1.9109 1.9240 1.9353 1.9475 2.7509 2.7516 2.8285 2.8293 2.9778 2.9791 3.7696 3.7699 9.9540 9.9563 10.1418 10.1438 11.2619 11.2620 11.3014 11.3028 12.1130 12.1262 k = 0.5000 0.2887 0.0168 ( 4690 PWs) bands (ev): -28.0117 -28.0117 -20.4673 -20.4673 -17.3115 -17.3115 -16.8842 -16.8842 -14.1784 -14.1784 -14.1600 -14.1600 -10.8410 -10.8409 -9.8012 -9.8012 -9.6177 -9.6177 -5.2248 -5.2239 -4.4164 -4.4157 -4.3381 -4.3365 -2.6168 -2.6139 -1.5921 -1.5914 -1.1316 -1.1305 -1.0439 -1.0438 1.6149 1.6150 1.7306 1.7306 1.9204 1.9303 1.9365 1.9459 2.7519 2.7522 2.8270 2.8274 2.9796 2.9803 3.7698 3.7699 9.9555 9.9567 10.1343 10.1354 11.2585 11.2585 11.2960 11.2967 12.1160 12.1268 k = 0.5000 0.2887-0.0000 ( 4700 PWs) bands (ev): -28.0117 -28.0117 -20.4673 -20.4673 -17.3115 -17.3115 -16.8838 -16.8838 -14.1784 -14.1784 -14.1600 -14.1600 -10.8415 -10.8415 -9.8019 -9.8019 -9.6177 -9.6177 -5.2243 -5.2243 -4.4160 -4.4160 -4.3369 -4.3369 -2.6154 -2.6154 -1.5923 -1.5923 -1.1311 -1.1311 -1.0437 -1.0437 1.6152 1.6152 1.7309 1.7309 1.9267 1.9267 1.9424 1.9424 2.7523 2.7523 2.8266 2.8266 2.9805 2.9805 3.7698 3.7698 9.9565 9.9565 10.1321 10.1321 11.2574 11.2574 11.2945 11.2945 12.1211 12.1213 k = 0.3333 0.5774-0.0000 ( 4689 PWs) bands (ev): -28.0113 -28.0113 -20.4665 -20.4665 -17.3180 -17.3142 -16.8851 -16.8850 -14.2716 -14.2532 -14.0884 -14.0881 -10.8588 -10.8037 -9.8077 -9.7682 -9.6432 -9.5597 -5.2509 -5.1939 -4.4715 -4.3508 -4.3504 -4.3159 -2.4915 -2.4773 -1.7746 -1.7653 -1.1551 -1.1551 -0.9893 -0.9734 1.5814 1.6252 1.7368 1.7622 1.9276 1.9299 2.0030 2.0142 2.5330 2.5355 2.8793 2.8793 2.9501 2.9504 3.6776 3.6830 9.7926 9.7945 10.1471 10.1642 11.7838 11.8129 11.8435 11.8543 11.8642 11.8896 k = 0.3333 0.5774 0.0168 ( 4701 PWs) bands (ev): -28.0113 -28.0113 -20.4665 -20.4664 -17.3180 -17.3142 -16.8856 -16.8855 -14.2717 -14.2532 -14.0884 -14.0881 -10.8583 -10.8031 -9.8071 -9.7675 -9.6431 -9.5597 -5.2510 -5.1940 -4.4715 -4.3508 -4.3507 -4.3162 -2.4917 -2.4776 -1.7737 -1.7645 -1.1550 -1.1549 -0.9893 -0.9735 1.5809 1.6247 1.7367 1.7620 1.9245 1.9267 2.0034 2.0145 2.5331 2.5355 2.8795 2.8796 2.9498 2.9500 3.6776 3.6830 9.7929 9.7948 10.1499 10.1670 11.7857 11.8145 11.8441 11.8546 11.8622 11.8875 k = 0.3333 0.5774 0.0335 ( 4698 PWs) bands (ev): -28.0112 -28.0112 -20.4664 -20.4664 -17.3180 -17.3142 -16.8869 -16.8868 -14.2718 -14.2534 -14.0884 -14.0881 -10.8567 -10.8014 -9.8050 -9.7656 -9.6430 -9.5596 -5.2513 -5.1943 -4.4717 -4.3517 -4.3509 -4.3172 -2.4924 -2.4785 -1.7711 -1.7619 -1.1548 -1.1545 -0.9895 -0.9738 1.5794 1.6231 1.7361 1.7615 1.9155 1.9176 2.0042 2.0152 2.5333 2.5358 2.8803 2.8805 2.9487 2.9489 3.6775 3.6829 9.7939 9.7958 10.1581 10.1752 11.7912 11.8193 11.8460 11.8556 11.8565 11.8816 k = 0.3333 0.5774 0.0503 ( 4686 PWs) bands (ev): -28.0111 -28.0111 -20.4663 -20.4663 -17.3179 -17.3141 -16.8890 -16.8889 -14.2720 -14.2536 -14.0883 -14.0881 -10.8541 -10.7986 -9.8015 -9.7624 -9.6429 -9.5595 -5.2518 -5.1948 -4.4719 -4.3534 -4.3510 -4.3188 -2.4936 -2.4800 -1.7669 -1.7577 -1.1544 -1.1538 -0.9899 -0.9742 1.5770 1.6205 1.7351 1.7606 1.9010 1.9029 2.0050 2.0160 2.5336 2.5362 2.8816 2.8821 2.9469 2.9471 3.6773 3.6828 9.7957 9.7977 10.1717 10.1888 11.8004 11.8267 11.8480 11.8495 11.8572 11.8730 k = 0.3333 0.5774 0.0671 ( 4698 PWs) bands (ev): -28.0110 -28.0110 -20.4662 -20.4662 -17.3179 -17.3141 -16.8919 -16.8918 -14.2724 -14.2539 -14.0883 -14.0880 -10.8506 -10.7948 -9.7967 -9.7580 -9.6427 -9.5594 -5.2526 -5.1955 -4.4722 -4.3557 -4.3512 -4.3210 -2.4953 -2.4821 -1.7610 -1.7518 -1.1539 -1.1528 -0.9904 -0.9748 1.5736 1.6170 1.7338 1.7593 1.8814 1.8833 2.0055 2.0165 2.5341 2.5368 2.8834 2.8842 2.9444 2.9447 3.6771 3.6826 9.7986 9.8006 10.1903 10.2075 11.8130 11.8352 11.8376 11.8561 11.8575 11.8644 k = 0.3333 0.5774 0.0838 ( 4686 PWs) bands (ev): -28.0108 -28.0108 -20.4661 -20.4660 -17.3178 -17.3140 -16.8957 -16.8956 -14.2728 -14.2544 -14.0882 -14.0879 -10.8461 -10.7899 -9.7905 -9.7522 -9.6425 -9.5593 -5.2535 -5.1963 -4.4726 -4.3586 -4.3514 -4.3238 -2.4974 -2.4848 -1.7535 -1.7443 -1.1532 -1.1515 -0.9910 -0.9755 1.5693 1.6124 1.7320 1.7578 1.8572 1.8592 2.0055 2.0166 2.5348 2.5375 2.8858 2.8870 2.9412 2.9415 3.6768 3.6824 9.8027 9.8048 10.2136 10.2309 11.8259 11.8292 11.8429 11.8488 11.8648 11.8676 k = 0.3333 0.5774 0.1006 ( 4692 PWs) bands (ev): -28.0106 -28.0106 -20.4659 -20.4659 -17.3177 -17.3139 -16.9002 -16.9001 -14.2733 -14.2549 -14.0881 -14.0878 -10.8408 -10.7841 -9.7829 -9.7453 -9.6422 -9.5591 -5.2546 -5.1973 -4.4730 -4.3621 -4.3517 -4.3272 -2.4999 -2.4880 -1.7445 -1.7354 -1.1524 -1.1500 -0.9918 -0.9764 1.5641 1.6070 1.7297 1.7558 1.8286 1.8309 2.0049 2.0163 2.5356 2.5384 2.8886 2.8903 2.9373 2.9376 3.6765 3.6821 9.8082 9.8104 10.2414 10.2588 11.8146 11.8373 11.8477 11.8492 11.8685 11.8841 k = 0.3333 0.5774 0.1174 ( 4701 PWs) bands (ev): -28.0103 -28.0103 -20.4657 -20.4657 -17.3176 -17.3138 -16.9054 -16.9053 -14.2738 -14.2554 -14.0880 -14.0877 -10.8348 -10.7775 -9.7741 -9.7371 -9.6418 -9.5589 -5.2560 -5.1985 -4.4736 -4.3661 -4.3520 -4.3311 -2.5028 -2.4917 -1.7341 -1.7250 -1.1516 -1.1483 -0.9927 -0.9774 1.5580 1.6006 1.7267 1.7536 1.7960 1.7991 2.0038 2.0154 2.5365 2.5394 2.8918 2.8941 2.9329 2.9332 3.6761 3.6818 9.8154 9.8177 10.2732 10.2907 11.8034 11.8259 11.8552 11.8692 11.8733 11.9043 k = 0.3333 0.5774 0.1341 ( 4698 PWs) bands (ev): -28.0101 -28.0101 -20.4654 -20.4654 -17.3175 -17.3137 -16.9112 -16.9111 -14.2745 -14.2561 -14.0879 -14.0876 -10.8280 -10.7701 -9.7640 -9.7277 -9.6415 -9.5587 -5.2574 -5.1998 -4.4742 -4.3706 -4.3524 -4.3354 -2.5061 -2.4958 -1.7224 -1.7132 -1.1506 -1.1464 -0.9937 -0.9786 1.5512 1.5935 1.7217 1.7511 1.7596 1.7651 2.0022 2.0141 2.5376 2.5407 2.8953 2.8985 2.9279 2.9281 3.6757 3.6815 9.8244 9.8267 10.3089 10.3265 11.7928 11.8151 11.8614 11.8789 11.8930 11.9274 k = 0.3333 0.5774 0.1509 ( 4686 PWs) bands (ev): -28.0097 -28.0097 -20.4652 -20.4652 -17.3174 -17.3136 -16.9177 -16.9176 -14.2752 -14.2568 -14.0877 -14.0874 -10.8207 -10.7621 -9.7526 -9.7172 -9.6410 -9.5585 -5.2591 -5.2013 -4.4749 -4.3755 -4.3527 -4.3402 -2.5096 -2.5003 -1.7094 -1.7003 -1.1495 -1.1444 -0.9948 -0.9798 1.5436 1.5856 1.7074 1.7198 1.7368 1.7483 2.0002 2.0125 2.5388 2.5420 2.8990 2.9033 2.9224 2.9226 3.6752 3.6811 9.8353 9.8377 10.3480 10.3657 11.7832 11.8053 11.8681 11.8854 11.9188 11.9527 k = 0.3333 0.5774 0.1676 ( 4680 PWs) bands (ev): -28.0094 -28.0094 -20.4649 -20.4649 -17.3173 -17.3134 -16.9247 -16.9245 -14.2760 -14.2576 -14.0876 -14.0873 -10.8129 -10.7535 -9.7401 -9.7056 -9.6406 -9.5582 -5.2609 -5.2029 -4.4756 -4.3808 -4.3532 -4.3453 -2.5134 -2.5052 -1.6953 -1.6863 -1.1484 -1.1422 -0.9959 -0.9812 1.5352 1.5771 1.6723 1.6771 1.7260 1.7453 1.9979 2.0105 2.5403 2.5435 2.9022 2.9085 2.9162 2.9176 3.6747 3.6806 9.8481 9.8505 10.3904 10.4082 11.7746 11.7966 11.8755 11.8926 11.9462 11.9796 k = 0.3333 0.5774 0.1844 ( 4692 PWs) bands (ev): -28.0090 -28.0090 -20.4646 -20.4646 -17.3171 -17.3133 -16.9321 -16.9320 -14.2768 -14.2585 -14.0874 -14.0871 -10.8047 -10.7446 -9.7265 -9.6929 -9.6401 -9.5579 -5.2628 -5.2046 -4.4765 -4.3864 -4.3536 -4.3507 -2.5175 -2.5103 -1.6803 -1.6714 -1.1472 -1.1399 -0.9972 -0.9827 1.5261 1.5679 1.6284 1.6318 1.7210 1.7421 1.9953 2.0082 2.5418 2.5452 2.9026 2.9095 2.9141 2.9153 3.6742 3.6801 9.8628 9.8652 10.4359 10.4537 11.7671 11.7891 11.8836 11.9006 11.9749 12.0079 k = 0.3333 0.5774 0.2012 ( 4683 PWs) bands (ev): -28.0087 -28.0087 -20.4643 -20.4642 -17.3170 -17.3132 -16.9399 -16.9398 -14.2777 -14.2594 -14.0872 -14.0869 -10.7963 -10.7353 -9.7119 -9.6792 -9.6396 -9.5576 -5.2648 -5.2064 -4.4773 -4.3923 -4.3563 -4.3541 -2.5217 -2.5157 -1.6645 -1.6556 -1.1460 -1.1375 -0.9986 -0.9843 1.5160 1.5582 1.5812 1.5849 1.7170 1.7387 1.9925 2.0058 2.5435 2.5471 2.8980 2.9023 2.9177 2.9200 3.6736 3.6796 9.8793 9.8818 10.4842 10.5021 11.7608 11.7826 11.8924 11.9095 12.0044 12.0371 k = 0.3333 0.5774 0.2179 ( 4689 PWs) bands (ev): -28.0083 -28.0083 -20.4639 -20.4639 -17.3168 -17.3130 -16.9481 -16.9479 -14.2786 -14.2603 -14.0871 -14.0867 -10.7877 -10.7259 -9.6964 -9.6647 -9.6390 -9.5573 -5.2670 -5.2083 -4.4782 -4.3984 -4.3621 -4.3546 -2.5261 -2.5212 -1.6479 -1.6392 -1.1448 -1.1351 -1.0000 -0.9859 1.5031 1.5318 1.5384 1.5481 1.7132 1.7351 1.9896 2.0032 2.5454 2.5490 2.8912 2.8947 2.9222 2.9262 3.6730 3.6791 9.8976 9.9000 10.5352 10.5530 11.7555 11.7773 11.9020 11.9191 12.0344 12.0667 k = 0.3333 0.5774 0.2347 ( 4701 PWs) bands (ev): -28.0079 -28.0079 -20.4636 -20.4636 -17.3167 -17.3128 -16.9565 -16.9563 -14.2796 -14.2613 -14.0869 -14.0865 -10.7790 -10.7164 -9.6801 -9.6494 -9.6385 -9.5570 -5.2692 -5.2103 -4.4792 -4.4046 -4.3680 -4.3551 -2.5306 -2.5269 -1.6309 -1.6222 -1.1435 -1.1327 -1.0014 -0.9876 1.4742 1.4808 1.5063 1.5377 1.7094 1.7315 1.9866 2.0004 2.5474 2.5512 2.8834 2.8867 2.9273 2.9325 3.6723 3.6786 9.9176 9.9199 10.5886 10.6064 11.7513 11.7731 11.9125 11.9296 12.0647 12.0966 k = 0.3333 0.5774 0.2515 ( 4692 PWs) bands (ev): -28.0074 -28.0074 -20.4632 -20.4632 -17.3165 -17.3127 -16.9650 -16.9649 -14.2805 -14.2622 -14.0867 -14.0863 -10.7703 -10.7069 -9.6631 -9.6379 -9.6334 -9.5567 -5.2714 -5.2123 -4.4802 -4.4109 -4.3740 -4.3556 -2.5351 -2.5326 -1.6134 -1.6049 -1.1423 -1.1302 -1.0029 -0.9893 1.4263 1.4288 1.4920 1.5270 1.7057 1.7277 1.9835 1.9977 2.5496 2.5534 2.8752 2.8785 2.9328 2.9389 3.6717 3.6780 9.9390 9.9411 10.6443 10.6620 11.7481 11.7699 11.9237 11.9409 12.0948 12.1263 k = 0.3333 0.5774 0.2682 ( 4692 PWs) bands (ev): -28.0070 -28.0070 -20.4629 -20.4629 -17.3164 -17.3125 -16.9736 -16.9735 -14.2815 -14.2632 -14.0865 -14.0861 -10.7618 -10.6976 -9.6455 -9.6373 -9.6168 -9.5563 -5.2737 -5.2143 -4.4812 -4.4171 -4.3800 -4.3561 -2.5396 -2.5383 -1.5958 -1.5874 -1.1411 -1.1278 -1.0044 -0.9911 1.3749 1.3764 1.4806 1.5161 1.7019 1.7239 1.9803 1.9949 2.5519 2.5558 2.8667 2.8700 2.9384 2.9454 3.6710 3.6774 9.9615 9.9634 10.7021 10.7198 11.7457 11.7675 11.9358 11.9532 12.1245 12.1556 k = 0.3333 0.5774 0.2850 ( 4704 PWs) bands (ev): -28.0066 -28.0066 -20.4625 -20.4625 -17.3162 -17.3123 -16.9823 -16.9821 -14.2825 -14.2643 -14.0863 -14.0860 -10.7535 -10.6884 -9.6368 -9.6276 -9.5999 -9.5560 -5.2761 -5.2164 -4.4822 -4.4234 -4.3859 -4.3567 -2.5441 -2.5440 -1.5780 -1.5698 -1.1399 -1.1255 -1.0059 -0.9929 1.3229 1.3239 1.4698 1.5052 1.6982 1.7201 1.9773 1.9921 2.5543 2.5583 2.8579 2.8613 2.9441 2.9519 3.6703 3.6768 9.9851 9.9867 10.7619 10.7793 11.7442 11.7660 11.9488 11.9663 12.1536 12.1843 k = 0.3333 0.5774 0.3018 ( 4716 PWs) bands (ev): -28.0062 -28.0062 -20.4622 -20.4621 -17.3160 -17.3122 -16.9908 -16.9906 -14.2835 -14.2653 -14.0861 -14.0858 -10.7454 -10.6796 -9.6362 -9.6095 -9.5827 -9.5557 -5.2784 -5.2185 -4.4833 -4.4296 -4.3917 -4.3572 -2.5496 -2.5485 -1.5604 -1.5524 -1.1387 -1.1232 -1.0074 -0.9946 1.2711 1.2719 1.4592 1.4944 1.6945 1.7163 1.9742 1.9894 2.5568 2.5610 2.8490 2.8525 2.9497 2.9583 3.6696 3.6762 10.0094 10.0107 10.8234 10.8406 11.7433 11.7652 11.9628 11.9804 12.1819 12.2122 k = 0.3333 0.5774 0.3185 ( 4701 PWs) bands (ev): -28.0057 -28.0057 -20.4618 -20.4618 -17.3159 -17.3120 -16.9992 -16.9990 -14.2845 -14.2662 -14.0859 -14.0856 -10.7376 -10.6711 -9.6356 -9.5913 -9.5654 -9.5554 -5.2807 -5.2205 -4.4843 -4.4356 -4.3974 -4.3577 -2.5551 -2.5528 -1.5430 -1.5352 -1.1375 -1.1210 -1.0089 -0.9963 1.2202 1.2208 1.4489 1.4837 1.6908 1.7125 1.9713 1.9867 2.5595 2.5637 2.8400 2.8436 2.9552 2.9645 3.6689 3.6756 10.0341 10.0350 10.8864 10.9034 11.7431 11.7650 11.9777 11.9954 12.2092 12.2390 k = 0.3333 0.5774 0.3353 ( 4701 PWs) bands (ev): -28.0053 -28.0053 -20.4614 -20.4614 -17.3157 -17.3118 -17.0073 -17.0072 -14.2855 -14.2672 -14.0857 -14.0854 -10.7303 -10.6630 -9.6350 -9.5732 -9.5550 -9.5482 -5.2829 -5.2225 -4.4853 -4.4414 -4.4028 -4.3582 -2.5604 -2.5570 -1.5260 -1.5184 -1.1364 -1.1190 -1.0103 -0.9980 1.1705 1.1711 1.4389 1.4732 1.6873 1.7088 1.9685 1.9841 2.5623 2.5666 2.8310 2.8347 2.9606 2.9706 3.6683 3.6751 10.0589 10.0594 10.9505 10.9673 11.7434 11.7653 11.9937 12.0116 12.2353 12.2646 k = 0.3333 0.5774 0.3521 ( 4695 PWs) bands (ev): -28.0049 -28.0049 -20.4611 -20.4611 -17.3156 -17.3117 -17.0152 -17.0150 -14.2864 -14.2681 -14.0856 -14.0852 -10.7233 -10.6554 -9.6345 -9.5555 -9.5547 -9.5313 -5.2851 -5.2244 -4.4863 -4.4470 -4.4080 -4.3586 -2.5654 -2.5610 -1.5095 -1.5022 -1.1354 -1.1170 -1.0117 -0.9996 1.1227 1.1231 1.4292 1.4631 1.6839 1.7053 1.9658 1.9817 2.5651 2.5695 2.8221 2.8260 2.9658 2.9764 3.6676 3.6745 10.0835 10.0836 11.0156 11.0321 11.7441 11.7660 12.0109 12.0290 12.2601 12.2889 k = 0.3333 0.5774 0.3688 ( 4701 PWs) bands (ev): -28.0045 -28.0045 -20.4608 -20.4608 -17.3154 -17.3115 -17.0227 -17.0225 -14.2873 -14.2690 -14.0854 -14.0850 -10.7168 -10.6483 -9.6340 -9.5544 -9.5382 -9.5149 -5.2871 -5.2262 -4.4873 -4.4522 -4.4130 -4.3591 -2.5702 -2.5647 -1.4938 -1.4867 -1.1344 -1.1152 -1.0131 -1.0012 1.0770 1.0773 1.4199 1.4534 1.6806 1.7019 1.9632 1.9793 2.5680 2.5725 2.8134 2.8174 2.9707 2.9820 3.6670 3.6740 10.1072 10.1077 11.0811 11.0973 11.7451 11.7671 12.0294 12.0477 12.2834 12.3118 k = 0.3333 0.5774 0.3856 ( 4707 PWs) bands (ev): -28.0042 -28.0042 -20.4605 -20.4605 -17.3153 -17.3114 -17.0298 -17.0296 -14.2881 -14.2699 -14.0852 -14.0848 -10.7108 -10.6417 -9.6335 -9.5542 -9.5218 -9.4991 -5.2891 -5.2280 -4.4882 -4.4572 -4.4176 -4.3595 -2.5746 -2.5683 -1.4789 -1.4720 -1.1335 -1.1135 -1.0144 -1.0026 1.0338 1.0341 1.4111 1.4442 1.6775 1.6987 1.9608 1.9772 2.5709 2.5755 2.8050 2.8091 2.9753 2.9872 3.6664 3.6734 10.1299 10.1310 11.1464 11.1625 11.7463 11.7684 12.0495 12.0680 12.3053 12.3333 k = 0.3333 0.5774 0.4024 ( 4707 PWs) bands (ev): -28.0038 -28.0038 -20.4602 -20.4602 -17.3152 -17.3113 -17.0364 -17.0361 -14.2889 -14.2707 -14.0851 -14.0847 -10.7054 -10.6357 -9.6330 -9.5539 -9.5062 -9.4841 -5.2909 -5.2296 -4.4890 -4.4618 -4.4219 -4.3599 -2.5787 -2.5715 -1.4649 -1.4583 -1.1326 -1.1120 -1.0155 -1.0040 0.9936 0.9939 1.4029 1.4356 1.6746 1.6957 1.9587 1.9752 2.5739 2.5785 2.7969 2.8011 2.9796 2.9921 3.6659 3.6730 10.1515 10.1531 11.2110 11.2269 11.7477 11.7698 12.0713 12.0901 12.3255 12.3531 k = 0.3333 0.5774 0.4191 ( 4707 PWs) bands (ev): -28.0035 -28.0035 -20.4599 -20.4599 -17.3150 -17.3111 -17.0424 -17.0422 -14.2896 -14.2714 -14.0850 -14.0845 -10.7004 -10.6303 -9.6326 -9.5537 -9.4916 -9.4702 -5.2926 -5.2311 -4.4898 -4.4660 -4.4258 -4.3602 -2.5825 -2.5745 -1.4521 -1.4458 -1.1318 -1.1106 -1.0166 -1.0053 0.9567 0.9570 1.3954 1.4276 1.6720 1.6929 1.9567 1.9734 2.5767 2.5814 2.7893 2.7935 2.9836 2.9965 3.6654 3.6725 10.1717 10.1738 11.2740 11.2897 11.7492 11.7713 12.0953 12.1145 12.3440 12.3712 k = 0.3333 0.5774 0.4359 ( 4713 PWs) bands (ev): -28.0032 -28.0032 -20.4597 -20.4597 -17.3149 -17.3110 -17.0479 -17.0476 -14.2902 -14.2721 -14.0848 -14.0844 -10.6960 -10.6255 -9.6322 -9.5534 -9.4784 -9.4574 -5.2942 -5.2324 -4.4905 -4.4697 -4.4293 -4.3605 -2.5859 -2.5772 -1.4405 -1.4344 -1.1311 -1.1094 -1.0176 -1.0064 0.9234 0.9236 1.3885 1.4204 1.6696 1.6904 1.9549 1.9717 2.5795 2.5843 2.7822 2.7865 2.9872 3.0005 3.6649 3.6721 10.1902 10.1928 11.3342 11.3500 11.7506 11.7728 12.1220 12.1416 12.3607 12.3875 k = 0.3333 0.5774 0.4526 ( 4719 PWs) bands (ev): -28.0030 -28.0030 -20.4595 -20.4595 -17.3148 -17.3109 -17.0527 -17.0524 -14.2908 -14.2726 -14.0847 -14.0843 -10.6922 -10.6214 -9.6319 -9.5532 -9.4665 -9.4460 -5.2956 -5.2337 -4.4912 -4.4731 -4.4323 -4.3608 -2.5889 -2.5796 -1.4302 -1.4244 -1.1305 -1.1083 -1.0185 -1.0074 0.8939 0.8941 1.3824 1.4140 1.6675 1.6882 1.9534 1.9703 2.5821 2.5869 2.7757 2.7801 2.9903 3.0040 3.6645 3.6717 10.2067 10.2098 11.3905 11.4064 11.7520 11.7742 12.1518 12.1718 12.3755 12.4020 k = 0.3333 0.5774 0.4694 ( 4707 PWs) bands (ev): -28.0028 -28.0028 -20.4593 -20.4593 -17.3148 -17.3108 -17.0568 -17.0566 -14.2913 -14.2731 -14.0846 -14.0842 -10.6890 -10.6179 -9.6316 -9.5531 -9.4562 -9.4361 -5.2967 -5.2347 -4.4918 -4.4759 -4.4350 -4.3610 -2.5914 -2.5816 -1.4213 -1.4157 -1.1299 -1.1074 -1.0192 -1.0083 0.8686 0.8687 1.3772 1.4086 1.6656 1.6863 1.9520 1.9691 2.5845 2.5894 2.7700 2.7744 2.9930 3.0071 3.6641 3.6714 10.2211 10.2245 11.4415 11.4575 11.7533 11.7755 12.1852 12.2056 12.3882 12.4146 k = 0.3333 0.5774 0.4862 ( 4701 PWs) bands (ev): -28.0026 -28.0026 -20.4592 -20.4592 -17.3147 -17.3108 -17.0602 -17.0600 -14.2917 -14.2735 -14.0845 -14.0841 -10.6863 -10.6150 -9.6313 -9.5529 -9.4476 -9.4278 -5.2977 -5.2355 -4.4922 -4.4783 -4.4371 -4.3612 -2.5935 -2.5833 -1.4139 -1.4085 -1.1294 -1.1066 -1.0199 -1.0090 0.8475 0.8477 1.3729 1.4040 1.6641 1.6848 1.9509 1.9681 2.5866 2.5915 2.7651 2.7696 2.9952 3.0096 3.6638 3.6712 10.2332 10.2369 11.4857 11.5019 11.7544 11.7766 12.2224 12.2430 12.3989 12.4251 k = 0.3333 0.5774 0.5029 ( 4695 PWs) bands (ev): -28.0024 -28.0024 -20.4590 -20.4590 -17.3146 -17.3107 -17.0629 -17.0627 -14.2920 -14.2739 -14.0845 -14.0840 -10.6843 -10.6127 -9.6311 -9.5528 -9.4408 -9.4212 -5.2985 -5.2362 -4.4926 -4.4801 -4.4388 -4.3614 -2.5952 -2.5846 -1.4081 -1.4029 -1.1291 -1.1061 -1.0204 -1.0096 0.8310 0.8311 1.3694 1.4004 1.6629 1.6835 1.9501 1.9673 2.5884 2.5933 2.7612 2.7657 2.9970 3.0115 3.6636 3.6710 10.2427 10.2467 11.5217 11.5380 11.7553 11.7776 12.2625 12.2832 12.4073 12.4336 k = 0.3333 0.5774 0.5197 ( 4701 PWs) bands (ev): -28.0023 -28.0023 -20.4590 -20.4590 -17.3146 -17.3107 -17.0649 -17.0646 -14.2923 -14.2741 -14.0844 -14.0840 -10.6828 -10.6111 -9.6310 -9.5528 -9.4359 -9.4165 -5.2990 -5.2367 -4.4929 -4.4814 -4.4400 -4.3615 -2.5964 -2.5855 -1.4039 -1.3988 -1.1288 -1.1056 -1.0207 -1.0100 0.8191 0.8192 1.3669 1.3978 1.6621 1.6826 1.9495 1.9667 2.5897 2.5946 2.7583 2.7628 2.9983 3.0129 3.6634 3.6708 10.2496 10.2538 11.5483 11.5648 11.7560 11.7782 12.3032 12.3237 12.4133 12.4401 k = 0.3333 0.5774 0.5365 ( 4701 PWs) bands (ev): -28.0023 -28.0023 -20.4589 -20.4589 -17.3146 -17.3106 -17.0661 -17.0658 -14.2924 -14.2743 -14.0844 -14.0840 -10.6819 -10.6101 -9.6309 -9.5527 -9.4329 -9.4136 -5.2994 -5.2370 -4.4930 -4.4822 -4.4408 -4.3616 -2.5971 -2.5861 -1.4014 -1.3963 -1.1286 -1.1054 -1.0209 -1.0102 0.8119 0.8120 1.3655 1.3962 1.6615 1.6821 1.9491 1.9664 2.5905 2.5955 2.7566 2.7611 2.9990 3.0138 3.6633 3.6707 10.2537 10.2581 11.5646 11.5811 11.7564 11.7786 12.3375 12.3577 12.4170 12.4447 k = 0.3333 0.5774 0.5532 ( 4716 PWs) bands (ev): -28.0023 -28.0023 -20.4589 -20.4589 -17.3146 -17.3106 -17.0665 -17.0662 -14.2925 -14.2743 -14.0844 -14.0840 -10.6816 -10.6098 -9.6309 -9.5527 -9.4319 -9.4127 -5.2995 -5.2371 -4.4931 -4.4825 -4.4410 -4.3616 -2.5973 -2.5863 -1.4005 -1.3955 -1.1286 -1.1053 -1.0210 -1.0103 0.8095 0.8096 1.3649 1.3957 1.6614 1.6819 1.9490 1.9663 2.5907 2.5957 2.7560 2.7605 2.9993 3.0141 3.6633 3.6707 10.2551 10.2596 11.5701 11.5867 11.7565 11.7788 12.3520 12.3721 12.4182 12.4467 Writing output data file RbSrCO3F.save init_run : 1.47s CPU 0.90s WALL ( 1 calls) electrons : 338.88s CPU 242.11s WALL ( 1 calls) Called by init_run: wfcinit : 0.10s CPU 0.10s WALL ( 1 calls) potinit : 0.10s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 338.87s CPU 242.10s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.30s CPU 0.16s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.30s CPU 0.46s WALL ( 298 calls) cegterg : 300.13s CPU 219.31s WALL ( 471 calls) Called by sum_band: Called by *egterg: h_psi : 200.74s CPU 126.36s WALL ( 7621 calls) s_psi : 8.86s CPU 6.08s WALL ( 7621 calls) g_psi : 0.41s CPU 0.30s WALL ( 6852 calls) cdiaghg : 91.02s CPU 78.85s WALL ( 7150 calls) cegterg:over : 11.54s CPU 9.04s WALL ( 6852 calls) cegterg:upda : 10.38s CPU 8.53s WALL ( 6852 calls) cegterg:last : 4.72s CPU 4.06s WALL ( 1242 calls) cdiaghg:chol : 5.17s CPU 4.48s WALL ( 7150 calls) cdiaghg:inve : 3.52s CPU 3.11s WALL ( 7150 calls) cdiaghg:para : 5.82s CPU 5.10s WALL ( 14300 calls) Called by h_psi: h_psi:vloc : 178.84s CPU 111.00s WALL ( 7621 calls) h_psi:vnl : 21.47s CPU 15.05s WALL ( 7621 calls) add_vuspsi : 11.63s CPU 7.85s WALL ( 7621 calls) General routines calbec : 9.78s CPU 7.17s WALL ( 7621 calls) fft : 0.06s CPU 0.03s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 168.98s CPU 103.90s WALL ( 863584 calls) interpolate : 0.02s CPU 0.02s WALL ( 4 calls) davcio : 0.41s CPU 1.08s WALL ( 596 calls) Parallel routines fft_scatter : 61.88s CPU 43.37s WALL ( 863607 calls) PWSCF : 5m58.38s CPU 4m33.69s WALL This run was terminated on: 15:46:31 10Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=