Program PWSCF v.5.3.0 (svn rev. 11974) starts on 1Feb2017 at 9:23:33 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Rb2PtS6.save/ file Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 67 25 7 5887 1359 201 Max 68 26 8 5894 1392 206 Sum 4855 1813 511 424073 98697 14593 bravais-lattice index = 14 lattice parameter (alat) = 12.7557 a.u. unit-cell volume = 2787.9268 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 3 number of electrons = 64.00 number of Kohn-Sham states= 76 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.755650 celldm(2)= 1.000000 celldm(3)= 1.551111 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 1.551111 ) 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 0.644699 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 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 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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 PseudoPot. # 3 for Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc 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 1277 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 S 6.00 32.06500 S( 1.00) Rb 9.00 85.46780 Rb( 1.00) Pt 10.00 195.08400 Pt( 1.00) 12 Sym. Ops., with 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 [1,0,0] 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 [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 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 [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 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 inversion 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. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 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. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 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_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 207 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0048309 k( 2) = ( 0.0185185 0.0106917 -0.0000000), wk = 0.0048309 k( 3) = ( 0.0370370 0.0213833 -0.0000000), wk = 0.0048309 k( 4) = ( 0.0555556 0.0320750 -0.0000000), wk = 0.0048309 k( 5) = ( 0.0740741 0.0427667 -0.0000000), wk = 0.0048309 k( 6) = ( 0.0925926 0.0534584 -0.0000000), wk = 0.0048309 k( 7) = ( 0.1111111 0.0641500 -0.0000000), wk = 0.0048309 k( 8) = ( 0.1296296 0.0748417 -0.0000000), wk = 0.0048309 k( 9) = ( 0.1481482 0.0855334 -0.0000000), wk = 0.0048309 k( 10) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0048309 k( 11) = ( 0.1851852 0.1069167 -0.0000000), wk = 0.0048309 k( 12) = ( 0.2037037 0.1176084 -0.0000000), wk = 0.0048309 k( 13) = ( 0.2222222 0.1283001 -0.0000000), wk = 0.0048309 k( 14) = ( 0.2407407 0.1389917 -0.0000000), wk = 0.0048309 k( 15) = ( 0.2592593 0.1496834 -0.0000000), wk = 0.0048309 k( 16) = ( 0.2777778 0.1603751 -0.0000000), wk = 0.0048309 k( 17) = ( 0.2962963 0.1710667 -0.0000000), wk = 0.0048309 k( 18) = ( 0.3148148 0.1817584 -0.0000000), wk = 0.0048309 k( 19) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0048309 k( 20) = ( 0.3518519 0.2031418 -0.0000000), wk = 0.0048309 k( 21) = ( 0.3703704 0.2138334 -0.0000000), wk = 0.0048309 k( 22) = ( 0.3888889 0.2245251 -0.0000000), wk = 0.0048309 k( 23) = ( 0.4074074 0.2352168 -0.0000000), wk = 0.0048309 k( 24) = ( 0.4259259 0.2459085 -0.0000000), wk = 0.0048309 k( 25) = ( 0.4444444 0.2566001 -0.0000000), wk = 0.0048309 k( 26) = ( 0.4629630 0.2672918 -0.0000000), wk = 0.0048309 k( 27) = ( 0.4814815 0.2779835 -0.0000000), wk = 0.0048309 k( 28) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0048309 k( 29) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0048309 k( 30) = ( 0.4895833 0.3067173 -0.0000000), wk = 0.0048309 k( 31) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0048309 k( 32) = ( 0.4687500 0.3428017 -0.0000000), wk = 0.0048309 k( 33) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0048309 k( 34) = ( 0.4479167 0.3788861 -0.0000000), wk = 0.0048309 k( 35) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0048309 k( 36) = ( 0.4270833 0.4149705 -0.0000000), wk = 0.0048309 k( 37) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0048309 k( 38) = ( 0.4062500 0.4510549 -0.0000000), wk = 0.0048309 k( 39) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0048309 k( 40) = ( 0.3854167 0.4871393 -0.0000000), wk = 0.0048309 k( 41) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0048309 k( 42) = ( 0.3645833 0.5232237 -0.0000000), wk = 0.0048309 k( 43) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0048309 k( 44) = ( 0.3437500 0.5593081 -0.0000000), wk = 0.0048309 k( 45) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0048309 k( 46) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0048309 k( 47) = ( 0.3229167 0.5593081 -0.0000000), wk = 0.0048309 k( 48) = ( 0.3125000 0.5412659 -0.0000000), wk = 0.0048309 k( 49) = ( 0.3020833 0.5232237 -0.0000000), wk = 0.0048309 k( 50) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0048309 k( 51) = ( 0.2812500 0.4871393 -0.0000000), wk = 0.0048309 k( 52) = ( 0.2708333 0.4690971 -0.0000000), wk = 0.0048309 k( 53) = ( 0.2604167 0.4510549 -0.0000000), wk = 0.0048309 k( 54) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0048309 k( 55) = ( 0.2395833 0.4149705 -0.0000000), wk = 0.0048309 k( 56) = ( 0.2291667 0.3969283 -0.0000000), wk = 0.0048309 k( 57) = ( 0.2187500 0.3788861 -0.0000000), wk = 0.0048309 k( 58) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0048309 k( 59) = ( 0.1979167 0.3428017 -0.0000000), wk = 0.0048309 k( 60) = ( 0.1875000 0.3247595 -0.0000000), wk = 0.0048309 k( 61) = ( 0.1770833 0.3067173 -0.0000000), wk = 0.0048309 k( 62) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0048309 k( 63) = ( 0.1562500 0.2706329 -0.0000000), wk = 0.0048309 k( 64) = ( 0.1458333 0.2525907 -0.0000000), wk = 0.0048309 k( 65) = ( 0.1354167 0.2345486 -0.0000000), wk = 0.0048309 k( 66) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0048309 k( 67) = ( 0.1145833 0.1984641 -0.0000000), wk = 0.0048309 k( 68) = ( 0.1041667 0.1804220 -0.0000000), wk = 0.0048309 k( 69) = ( 0.0937500 0.1623798 -0.0000000), wk = 0.0048309 k( 70) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0048309 k( 71) = ( 0.0729167 0.1262954 -0.0000000), wk = 0.0048309 k( 72) = ( 0.0625000 0.1082532 -0.0000000), wk = 0.0048309 k( 73) = ( 0.0520833 0.0902110 -0.0000000), wk = 0.0048309 k( 74) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0048309 k( 75) = ( 0.0312500 0.0541266 -0.0000000), wk = 0.0048309 k( 76) = ( 0.0208333 0.0360844 -0.0000000), wk = 0.0048309 k( 77) = ( 0.0104167 0.0180422 -0.0000000), wk = 0.0048309 k( 78) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0048309 k( 79) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0048309 k( 80) = ( 0.0000000 0.0000000 0.0201468), wk = 0.0048309 k( 81) = ( 0.0000000 0.0000000 0.0402937), wk = 0.0048309 k( 82) = ( 0.0000000 0.0000000 0.0604405), wk = 0.0048309 k( 83) = ( 0.0000000 0.0000000 0.0805874), wk = 0.0048309 k( 84) = ( 0.0000000 0.0000000 0.1007342), wk = 0.0048309 k( 85) = ( 0.0000000 0.0000000 0.1208811), wk = 0.0048309 k( 86) = ( 0.0000000 0.0000000 0.1410279), wk = 0.0048309 k( 87) = ( 0.0000000 0.0000000 0.1611748), wk = 0.0048309 k( 88) = ( 0.0000000 0.0000000 0.1813216), wk = 0.0048309 k( 89) = ( 0.0000000 0.0000000 0.2014685), wk = 0.0048309 k( 90) = ( 0.0000000 0.0000000 0.2216153), wk = 0.0048309 k( 91) = ( 0.0000000 0.0000000 0.2417622), wk = 0.0048309 k( 92) = ( 0.0000000 0.0000000 0.2619090), wk = 0.0048309 k( 93) = ( 0.0000000 0.0000000 0.2820559), wk = 0.0048309 k( 94) = ( 0.0000000 0.0000000 0.3022027), wk = 0.0048309 k( 95) = ( 0.0000000 0.0000000 0.3223496), wk = 0.0048309 k( 96) = ( 0.0000000 0.0000000 0.3223496), wk = 0.0048309 k( 97) = ( 0.0185185 0.0106917 0.3223496), wk = 0.0048309 k( 98) = ( 0.0370370 0.0213833 0.3223496), wk = 0.0048309 k( 99) = ( 0.0555556 0.0320750 0.3223496), wk = 0.0048309 k( 100) = ( 0.0740741 0.0427667 0.3223496), wk = 0.0048309 k( 101) = ( 0.0925926 0.0534584 0.3223496), wk = 0.0048309 k( 102) = ( 0.1111111 0.0641500 0.3223496), wk = 0.0048309 k( 103) = ( 0.1296296 0.0748417 0.3223496), wk = 0.0048309 k( 104) = ( 0.1481482 0.0855334 0.3223496), wk = 0.0048309 k( 105) = ( 0.1666667 0.0962250 0.3223496), wk = 0.0048309 k( 106) = ( 0.1851852 0.1069167 0.3223496), wk = 0.0048309 k( 107) = ( 0.2037037 0.1176084 0.3223496), wk = 0.0048309 k( 108) = ( 0.2222222 0.1283001 0.3223496), wk = 0.0048309 k( 109) = ( 0.2407407 0.1389917 0.3223496), wk = 0.0048309 k( 110) = ( 0.2592593 0.1496834 0.3223496), wk = 0.0048309 k( 111) = ( 0.2777778 0.1603751 0.3223496), wk = 0.0048309 k( 112) = ( 0.2962963 0.1710667 0.3223496), wk = 0.0048309 k( 113) = ( 0.3148148 0.1817584 0.3223496), wk = 0.0048309 k( 114) = ( 0.3333333 0.1924501 0.3223496), wk = 0.0048309 k( 115) = ( 0.3518519 0.2031418 0.3223496), wk = 0.0048309 k( 116) = ( 0.3703704 0.2138334 0.3223496), wk = 0.0048309 k( 117) = ( 0.3888889 0.2245251 0.3223496), wk = 0.0048309 k( 118) = ( 0.4074074 0.2352168 0.3223496), wk = 0.0048309 k( 119) = ( 0.4259259 0.2459085 0.3223496), wk = 0.0048309 k( 120) = ( 0.4444444 0.2566001 0.3223496), wk = 0.0048309 k( 121) = ( 0.4629630 0.2672918 0.3223496), wk = 0.0048309 k( 122) = ( 0.4814815 0.2779835 0.3223496), wk = 0.0048309 k( 123) = ( 0.5000000 0.2886751 0.3223496), wk = 0.0048309 k( 124) = ( 0.5000000 0.2886751 0.3223496), wk = 0.0048309 k( 125) = ( 0.4895833 0.3067173 0.3223496), wk = 0.0048309 k( 126) = ( 0.4791667 0.3247595 0.3223496), wk = 0.0048309 k( 127) = ( 0.4687500 0.3428017 0.3223496), wk = 0.0048309 k( 128) = ( 0.4583333 0.3608439 0.3223496), wk = 0.0048309 k( 129) = ( 0.4479167 0.3788861 0.3223496), wk = 0.0048309 k( 130) = ( 0.4375000 0.3969283 0.3223496), wk = 0.0048309 k( 131) = ( 0.4270833 0.4149705 0.3223496), wk = 0.0048309 k( 132) = ( 0.4166667 0.4330127 0.3223496), wk = 0.0048309 k( 133) = ( 0.4062500 0.4510549 0.3223496), wk = 0.0048309 k( 134) = ( 0.3958333 0.4690971 0.3223496), wk = 0.0048309 k( 135) = ( 0.3854167 0.4871393 0.3223496), wk = 0.0048309 k( 136) = ( 0.3750000 0.5051815 0.3223496), wk = 0.0048309 k( 137) = ( 0.3645833 0.5232237 0.3223496), wk = 0.0048309 k( 138) = ( 0.3541667 0.5412659 0.3223496), wk = 0.0048309 k( 139) = ( 0.3437500 0.5593081 0.3223496), wk = 0.0048309 k( 140) = ( 0.3333333 0.5773503 0.3223496), wk = 0.0048309 k( 141) = ( 0.3333333 0.5773503 0.3223496), wk = 0.0048309 k( 142) = ( 0.3229167 0.5593081 0.3223496), wk = 0.0048309 k( 143) = ( 0.3125000 0.5412659 0.3223496), wk = 0.0048309 k( 144) = ( 0.3020833 0.5232237 0.3223496), wk = 0.0048309 k( 145) = ( 0.2916667 0.5051815 0.3223496), wk = 0.0048309 k( 146) = ( 0.2812500 0.4871393 0.3223496), wk = 0.0048309 k( 147) = ( 0.2708333 0.4690971 0.3223496), wk = 0.0048309 k( 148) = ( 0.2604167 0.4510549 0.3223496), wk = 0.0048309 k( 149) = ( 0.2500000 0.4330127 0.3223496), wk = 0.0048309 k( 150) = ( 0.2395833 0.4149705 0.3223496), wk = 0.0048309 k( 151) = ( 0.2291667 0.3969283 0.3223496), wk = 0.0048309 k( 152) = ( 0.2187500 0.3788861 0.3223496), wk = 0.0048309 k( 153) = ( 0.2083333 0.3608439 0.3223496), wk = 0.0048309 k( 154) = ( 0.1979167 0.3428017 0.3223496), wk = 0.0048309 k( 155) = ( 0.1875000 0.3247595 0.3223496), wk = 0.0048309 k( 156) = ( 0.1770833 0.3067173 0.3223496), wk = 0.0048309 k( 157) = ( 0.1666667 0.2886751 0.3223496), wk = 0.0048309 k( 158) = ( 0.1562500 0.2706329 0.3223496), wk = 0.0048309 k( 159) = ( 0.1458333 0.2525907 0.3223496), wk = 0.0048309 k( 160) = ( 0.1354167 0.2345486 0.3223496), wk = 0.0048309 k( 161) = ( 0.1250000 0.2165064 0.3223496), wk = 0.0048309 k( 162) = ( 0.1145833 0.1984641 0.3223496), wk = 0.0048309 k( 163) = ( 0.1041667 0.1804220 0.3223496), wk = 0.0048309 k( 164) = ( 0.0937500 0.1623798 0.3223496), wk = 0.0048309 k( 165) = ( 0.0833333 0.1443376 0.3223496), wk = 0.0048309 k( 166) = ( 0.0729167 0.1262954 0.3223496), wk = 0.0048309 k( 167) = ( 0.0625000 0.1082532 0.3223496), wk = 0.0048309 k( 168) = ( 0.0520833 0.0902110 0.3223496), wk = 0.0048309 k( 169) = ( 0.0416667 0.0721688 0.3223496), wk = 0.0048309 k( 170) = ( 0.0312500 0.0541266 0.3223496), wk = 0.0048309 k( 171) = ( 0.0208333 0.0360844 0.3223496), wk = 0.0048309 k( 172) = ( 0.0104167 0.0180422 0.3223496), wk = 0.0048309 k( 173) = ( 0.0000000 0.0000000 0.3223496), wk = 0.0048309 k( 174) = ( 0.5000000 0.2886751 0.3223496), wk = 0.0048309 k( 175) = ( 0.5000000 0.2886751 0.3022027), wk = 0.0048309 k( 176) = ( 0.5000000 0.2886751 0.2820559), wk = 0.0048309 k( 177) = ( 0.5000000 0.2886751 0.2619090), wk = 0.0048309 k( 178) = ( 0.5000000 0.2886751 0.2417622), wk = 0.0048309 k( 179) = ( 0.5000000 0.2886751 0.2216153), wk = 0.0048309 k( 180) = ( 0.5000000 0.2886751 0.2014685), wk = 0.0048309 k( 181) = ( 0.5000000 0.2886751 0.1813216), wk = 0.0048309 k( 182) = ( 0.5000000 0.2886751 0.1611748), wk = 0.0048309 k( 183) = ( 0.5000000 0.2886751 0.1410279), wk = 0.0048309 k( 184) = ( 0.5000000 0.2886751 0.1208811), wk = 0.0048309 k( 185) = ( 0.5000000 0.2886751 0.1007342), wk = 0.0048309 k( 186) = ( 0.5000000 0.2886751 0.0805874), wk = 0.0048309 k( 187) = ( 0.5000000 0.2886751 0.0604405), wk = 0.0048309 k( 188) = ( 0.5000000 0.2886751 0.0402937), wk = 0.0048309 k( 189) = ( 0.5000000 0.2886751 0.0201468), wk = 0.0048309 k( 190) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0048309 k( 191) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0048309 k( 192) = ( 0.3333333 0.5773503 0.0201468), wk = 0.0048309 k( 193) = ( 0.3333333 0.5773503 0.0402937), wk = 0.0048309 k( 194) = ( 0.3333333 0.5773503 0.0604405), wk = 0.0048309 k( 195) = ( 0.3333333 0.5773503 0.0805874), wk = 0.0048309 k( 196) = ( 0.3333333 0.5773503 0.1007342), wk = 0.0048309 k( 197) = ( 0.3333333 0.5773503 0.1208811), wk = 0.0048309 k( 198) = ( 0.3333333 0.5773503 0.1410279), wk = 0.0048309 k( 199) = ( 0.3333333 0.5773503 0.1611748), wk = 0.0048309 k( 200) = ( 0.3333333 0.5773503 0.1813216), wk = 0.0048309 k( 201) = ( 0.3333333 0.5773503 0.2014685), wk = 0.0048309 k( 202) = ( 0.3333333 0.5773503 0.2216153), wk = 0.0048309 k( 203) = ( 0.3333333 0.5773503 0.2417622), wk = 0.0048309 k( 204) = ( 0.3333333 0.5773503 0.2619090), wk = 0.0048309 k( 205) = ( 0.3333333 0.5773503 0.2820559), wk = 0.0048309 k( 206) = ( 0.3333333 0.5773503 0.3022027), wk = 0.0048309 k( 207) = ( 0.3333333 0.5773503 0.3223496), wk = 0.0048309 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0048309 k( 2) = ( 0.0185185 -0.0000000 -0.0000000), wk = 0.0048309 k( 3) = ( 0.0370370 -0.0000000 -0.0000000), wk = 0.0048309 k( 4) = ( 0.0555556 0.0000000 0.0000000), wk = 0.0048309 k( 5) = ( 0.0740741 -0.0000000 0.0000000), wk = 0.0048309 k( 6) = ( 0.0925926 0.0000000 0.0000000), wk = 0.0048309 k( 7) = ( 0.1111111 0.0000000 0.0000000), wk = 0.0048309 k( 8) = ( 0.1296296 -0.0000000 0.0000000), wk = 0.0048309 k( 9) = ( 0.1481482 -0.0000000 0.0000000), wk = 0.0048309 k( 10) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0048309 k( 11) = ( 0.1851852 0.0000000 0.0000000), wk = 0.0048309 k( 12) = ( 0.2037037 0.0000000 0.0000000), wk = 0.0048309 k( 13) = ( 0.2222222 0.0000000 0.0000000), wk = 0.0048309 k( 14) = ( 0.2407407 0.0000000 0.0000000), wk = 0.0048309 k( 15) = ( 0.2592593 -0.0000000 0.0000000), wk = 0.0048309 k( 16) = ( 0.2777778 -0.0000000 0.0000000), wk = 0.0048309 k( 17) = ( 0.2962963 -0.0000000 0.0000000), wk = 0.0048309 k( 18) = ( 0.3148148 -0.0000000 0.0000000), wk = 0.0048309 k( 19) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0048309 k( 20) = ( 0.3518519 -0.0000000 -0.0000000), wk = 0.0048309 k( 21) = ( 0.3703704 -0.0000000 0.0000000), wk = 0.0048309 k( 22) = ( 0.3888889 -0.0000000 -0.0000000), wk = 0.0048309 k( 23) = ( 0.4074074 -0.0000000 0.0000000), wk = 0.0048309 k( 24) = ( 0.4259259 -0.0000000 -0.0000000), wk = 0.0048309 k( 25) = ( 0.4444444 0.0000000 0.0000000), wk = 0.0048309 k( 26) = ( 0.4629630 -0.0000000 -0.0000000), wk = 0.0048309 k( 27) = ( 0.4814815 0.0000000 0.0000000), wk = 0.0048309 k( 28) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0048309 k( 29) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0048309 k( 30) = ( 0.4895833 0.0208333 -0.0000000), wk = 0.0048309 k( 31) = ( 0.4791667 0.0416667 -0.0000000), wk = 0.0048309 k( 32) = ( 0.4687500 0.0625000 -0.0000000), wk = 0.0048309 k( 33) = ( 0.4583333 0.0833333 -0.0000000), wk = 0.0048309 k( 34) = ( 0.4479167 0.1041667 -0.0000000), wk = 0.0048309 k( 35) = ( 0.4375000 0.1250000 0.0000000), wk = 0.0048309 k( 36) = ( 0.4270833 0.1458333 -0.0000000), wk = 0.0048309 k( 37) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0048309 k( 38) = ( 0.4062500 0.1875000 0.0000000), wk = 0.0048309 k( 39) = ( 0.3958333 0.2083333 0.0000000), wk = 0.0048309 k( 40) = ( 0.3854167 0.2291667 0.0000000), wk = 0.0048309 k( 41) = ( 0.3750000 0.2500000 -0.0000000), wk = 0.0048309 k( 42) = ( 0.3645833 0.2708333 0.0000000), wk = 0.0048309 k( 43) = ( 0.3541667 0.2916667 0.0000000), wk = 0.0048309 k( 44) = ( 0.3437500 0.3125000 0.0000000), wk = 0.0048309 k( 45) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0048309 k( 46) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0048309 k( 47) = ( 0.3229167 0.3229167 0.0000000), wk = 0.0048309 k( 48) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0048309 k( 49) = ( 0.3020833 0.3020833 -0.0000000), wk = 0.0048309 k( 50) = ( 0.2916667 0.2916667 0.0000000), wk = 0.0048309 k( 51) = ( 0.2812500 0.2812500 0.0000000), wk = 0.0048309 k( 52) = ( 0.2708333 0.2708333 0.0000000), wk = 0.0048309 k( 53) = ( 0.2604167 0.2604167 -0.0000000), wk = 0.0048309 k( 54) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0048309 k( 55) = ( 0.2395833 0.2395833 -0.0000000), wk = 0.0048309 k( 56) = ( 0.2291667 0.2291667 0.0000000), wk = 0.0048309 k( 57) = ( 0.2187500 0.2187500 0.0000000), wk = 0.0048309 k( 58) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0048309 k( 59) = ( 0.1979167 0.1979167 -0.0000000), wk = 0.0048309 k( 60) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0048309 k( 61) = ( 0.1770833 0.1770833 0.0000000), wk = 0.0048309 k( 62) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0048309 k( 63) = ( 0.1562500 0.1562500 0.0000000), wk = 0.0048309 k( 64) = ( 0.1458333 0.1458333 -0.0000000), wk = 0.0048309 k( 65) = ( 0.1354167 0.1354167 0.0000000), wk = 0.0048309 k( 66) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0048309 k( 67) = ( 0.1145833 0.1145833 -0.0000000), wk = 0.0048309 k( 68) = ( 0.1041667 0.1041667 -0.0000000), wk = 0.0048309 k( 69) = ( 0.0937500 0.0937500 0.0000000), wk = 0.0048309 k( 70) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0048309 k( 71) = ( 0.0729167 0.0729167 0.0000000), wk = 0.0048309 k( 72) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0048309 k( 73) = ( 0.0520833 0.0520833 -0.0000000), wk = 0.0048309 k( 74) = ( 0.0416667 0.0416667 0.0000000), wk = 0.0048309 k( 75) = ( 0.0312500 0.0312500 -0.0000000), wk = 0.0048309 k( 76) = ( 0.0208333 0.0208333 0.0000000), wk = 0.0048309 k( 77) = ( 0.0104167 0.0104167 0.0000000), wk = 0.0048309 k( 78) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0048309 k( 79) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0048309 k( 80) = ( 0.0000000 0.0000000 0.0312500), wk = 0.0048309 k( 81) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0048309 k( 82) = ( 0.0000000 0.0000000 0.0937500), wk = 0.0048309 k( 83) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0048309 k( 84) = ( 0.0000000 0.0000000 0.1562500), wk = 0.0048309 k( 85) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0048309 k( 86) = ( 0.0000000 0.0000000 0.2187500), wk = 0.0048309 k( 87) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0048309 k( 88) = ( 0.0000000 0.0000000 0.2812500), wk = 0.0048309 k( 89) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0048309 k( 90) = ( 0.0000000 0.0000000 0.3437500), wk = 0.0048309 k( 91) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0048309 k( 92) = ( 0.0000000 0.0000000 0.4062500), wk = 0.0048309 k( 93) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0048309 k( 94) = ( 0.0000000 0.0000000 0.4687500), wk = 0.0048309 k( 95) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0048309 k( 96) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0048309 k( 97) = ( 0.0185185 -0.0000000 0.5000000), wk = 0.0048309 k( 98) = ( 0.0370370 -0.0000000 0.5000000), wk = 0.0048309 k( 99) = ( 0.0555556 0.0000000 0.5000000), wk = 0.0048309 k( 100) = ( 0.0740741 -0.0000000 0.5000000), wk = 0.0048309 k( 101) = ( 0.0925926 0.0000000 0.5000000), wk = 0.0048309 k( 102) = ( 0.1111111 0.0000000 0.5000000), wk = 0.0048309 k( 103) = ( 0.1296296 -0.0000000 0.5000000), wk = 0.0048309 k( 104) = ( 0.1481482 -0.0000000 0.5000000), wk = 0.0048309 k( 105) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0048309 k( 106) = ( 0.1851852 0.0000000 0.5000000), wk = 0.0048309 k( 107) = ( 0.2037037 0.0000000 0.5000000), wk = 0.0048309 k( 108) = ( 0.2222222 0.0000000 0.5000000), wk = 0.0048309 k( 109) = ( 0.2407407 0.0000000 0.5000000), wk = 0.0048309 k( 110) = ( 0.2592593 -0.0000000 0.5000000), wk = 0.0048309 k( 111) = ( 0.2777778 -0.0000000 0.5000000), wk = 0.0048309 k( 112) = ( 0.2962963 -0.0000000 0.5000000), wk = 0.0048309 k( 113) = ( 0.3148148 -0.0000000 0.5000000), wk = 0.0048309 k( 114) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0048309 k( 115) = ( 0.3518519 -0.0000000 0.5000000), wk = 0.0048309 k( 116) = ( 0.3703704 -0.0000000 0.5000000), wk = 0.0048309 k( 117) = ( 0.3888889 -0.0000000 0.5000000), wk = 0.0048309 k( 118) = ( 0.4074074 -0.0000000 0.5000000), wk = 0.0048309 k( 119) = ( 0.4259259 -0.0000000 0.5000000), wk = 0.0048309 k( 120) = ( 0.4444444 0.0000000 0.5000000), wk = 0.0048309 k( 121) = ( 0.4629630 -0.0000000 0.5000000), wk = 0.0048309 k( 122) = ( 0.4814815 0.0000000 0.5000000), wk = 0.0048309 k( 123) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0048309 k( 124) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0048309 k( 125) = ( 0.4895833 0.0208333 0.5000000), wk = 0.0048309 k( 126) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0048309 k( 127) = ( 0.4687500 0.0625000 0.5000000), wk = 0.0048309 k( 128) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0048309 k( 129) = ( 0.4479167 0.1041667 0.5000000), wk = 0.0048309 k( 130) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0048309 k( 131) = ( 0.4270833 0.1458333 0.5000000), wk = 0.0048309 k( 132) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0048309 k( 133) = ( 0.4062500 0.1875000 0.5000000), wk = 0.0048309 k( 134) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0048309 k( 135) = ( 0.3854167 0.2291667 0.5000000), wk = 0.0048309 k( 136) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0048309 k( 137) = ( 0.3645833 0.2708333 0.5000000), wk = 0.0048309 k( 138) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0048309 k( 139) = ( 0.3437500 0.3125000 0.5000000), wk = 0.0048309 k( 140) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0048309 k( 141) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0048309 k( 142) = ( 0.3229167 0.3229167 0.5000000), wk = 0.0048309 k( 143) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0048309 k( 144) = ( 0.3020833 0.3020833 0.5000000), wk = 0.0048309 k( 145) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0048309 k( 146) = ( 0.2812500 0.2812500 0.5000000), wk = 0.0048309 k( 147) = ( 0.2708333 0.2708333 0.5000000), wk = 0.0048309 k( 148) = ( 0.2604167 0.2604167 0.5000000), wk = 0.0048309 k( 149) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0048309 k( 150) = ( 0.2395833 0.2395833 0.5000000), wk = 0.0048309 k( 151) = ( 0.2291667 0.2291667 0.5000000), wk = 0.0048309 k( 152) = ( 0.2187500 0.2187500 0.5000000), wk = 0.0048309 k( 153) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0048309 k( 154) = ( 0.1979167 0.1979167 0.5000000), wk = 0.0048309 k( 155) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0048309 k( 156) = ( 0.1770833 0.1770833 0.5000000), wk = 0.0048309 k( 157) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0048309 k( 158) = ( 0.1562500 0.1562500 0.5000000), wk = 0.0048309 k( 159) = ( 0.1458333 0.1458333 0.5000000), wk = 0.0048309 k( 160) = ( 0.1354167 0.1354167 0.5000000), wk = 0.0048309 k( 161) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0048309 k( 162) = ( 0.1145833 0.1145833 0.5000000), wk = 0.0048309 k( 163) = ( 0.1041667 0.1041667 0.5000000), wk = 0.0048309 k( 164) = ( 0.0937500 0.0937500 0.5000000), wk = 0.0048309 k( 165) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0048309 k( 166) = ( 0.0729167 0.0729167 0.5000000), wk = 0.0048309 k( 167) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0048309 k( 168) = ( 0.0520833 0.0520833 0.5000000), wk = 0.0048309 k( 169) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0048309 k( 170) = ( 0.0312500 0.0312500 0.5000000), wk = 0.0048309 k( 171) = ( 0.0208333 0.0208333 0.5000000), wk = 0.0048309 k( 172) = ( 0.0104167 0.0104167 0.5000000), wk = 0.0048309 k( 173) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0048309 k( 174) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0048309 k( 175) = ( 0.5000000 0.0000000 0.4687500), wk = 0.0048309 k( 176) = ( 0.5000000 0.0000000 0.4375000), wk = 0.0048309 k( 177) = ( 0.5000000 0.0000000 0.4062500), wk = 0.0048309 k( 178) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0048309 k( 179) = ( 0.5000000 0.0000000 0.3437500), wk = 0.0048309 k( 180) = ( 0.5000000 0.0000000 0.3125000), wk = 0.0048309 k( 181) = ( 0.5000000 0.0000000 0.2812500), wk = 0.0048309 k( 182) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0048309 k( 183) = ( 0.5000000 0.0000000 0.2187500), wk = 0.0048309 k( 184) = ( 0.5000000 0.0000000 0.1875000), wk = 0.0048309 k( 185) = ( 0.5000000 0.0000000 0.1562500), wk = 0.0048309 k( 186) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0048309 k( 187) = ( 0.5000000 0.0000000 0.0937500), wk = 0.0048309 k( 188) = ( 0.5000000 0.0000000 0.0625000), wk = 0.0048309 k( 189) = ( 0.5000000 0.0000000 0.0312500), wk = 0.0048309 k( 190) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0048309 k( 191) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0048309 k( 192) = ( 0.3333333 0.3333333 0.0312500), wk = 0.0048309 k( 193) = ( 0.3333333 0.3333333 0.0625000), wk = 0.0048309 k( 194) = ( 0.3333333 0.3333333 0.0937500), wk = 0.0048309 k( 195) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0048309 k( 196) = ( 0.3333333 0.3333333 0.1562500), wk = 0.0048309 k( 197) = ( 0.3333333 0.3333333 0.1875000), wk = 0.0048309 k( 198) = ( 0.3333333 0.3333333 0.2187500), wk = 0.0048309 k( 199) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0048309 k( 200) = ( 0.3333333 0.3333333 0.2812500), wk = 0.0048309 k( 201) = ( 0.3333333 0.3333333 0.3125000), wk = 0.0048309 k( 202) = ( 0.3333333 0.3333333 0.3437500), wk = 0.0048309 k( 203) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0048309 k( 204) = ( 0.3333333 0.3333333 0.4062500), wk = 0.0048309 k( 205) = ( 0.3333333 0.3333333 0.4375000), wk = 0.0048309 k( 206) = ( 0.3333333 0.3333333 0.4687500), wk = 0.0048309 k( 207) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0048309 Dense grid: 424073 G-vectors FFT dimensions: ( 90, 90, 135) Smooth grid: 98697 G-vectors FFT dimensions: ( 54, 54, 81) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.42 Mb ( 358, 76) NL pseudopotentials 0.84 Mb ( 179, 306) Each V/rho on FFT grid 0.25 Mb ( 16200) Each G-vector array 0.04 Mb ( 5887) G-vector shells 0.02 Mb ( 2899) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.66 Mb ( 358, 304) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.71 Mb ( 306, 2, 76) The potential is recalculated from file : ./Rb2PtS6.save/charge-density.dat Starting wfc are 98 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 7.0 secs Computing kpt #: 2 total cpu time spent up to now is 9.9 secs Computing kpt #: 3 total cpu time spent up to now is 12.7 secs Computing kpt #: 4 total cpu time spent up to now is 15.7 secs Computing kpt #: 5 total cpu time spent up to now is 18.7 secs Computing kpt #: 6 total cpu time spent up to now is 21.7 secs Computing kpt #: 7 total cpu time spent up to now is 25.1 secs Computing kpt #: 8 total cpu time spent up to now is 28.5 secs Computing kpt #: 9 total cpu time spent up to now is 32.2 secs Computing kpt #: 10 total cpu time spent up to now is 36.3 secs Computing kpt #: 11 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 42.6 secs Computing kpt #: 12 total cpu time spent up to now is 46.0 secs Computing kpt #: 13 total cpu time spent up to now is 49.2 secs Computing kpt #: 14 total cpu time spent up to now is 52.4 secs Computing kpt #: 15 total cpu time spent up to now is 55.2 secs Computing kpt #: 16 total cpu time spent up to now is 57.9 secs Computing kpt #: 17 total cpu time spent up to now is 60.3 secs Computing kpt #: 18 total cpu time spent up to now is 63.0 secs Computing kpt #: 19 total cpu time spent up to now is 65.8 secs Computing kpt #: 20 total cpu time spent up to now is 68.3 secs Computing kpt #: 21 total cpu time spent up to now is 71.1 secs Computing kpt #: 22 total cpu time spent up to now is 73.5 secs Computing kpt #: 23 total cpu time spent up to now is 76.1 secs Computing kpt #: 24 total cpu time spent up to now is 78.6 secs Computing kpt #: 25 total cpu time spent up to now is 81.1 secs Computing kpt #: 26 total cpu time spent up to now is 83.5 secs Computing kpt #: 27 total cpu time spent up to now is 86.0 secs Computing kpt #: 28 total cpu time spent up to now is 88.9 secs Computing kpt #: 29 total cpu time spent up to now is 91.5 secs Computing kpt #: 30 total cpu time spent up to now is 94.2 secs Computing kpt #: 31 total cpu time spent up to now is 96.8 secs Computing kpt #: 32 total cpu time spent up to now is 99.3 secs Computing kpt #: 33 total cpu time spent up to now is 101.7 secs Computing kpt #: 34 total cpu time spent up to now is 104.4 secs Computing kpt #: 35 total cpu time spent up to now is 106.7 secs Computing kpt #: 36 total cpu time spent up to now is 109.0 secs Computing kpt #: 37 total cpu time spent up to now is 111.5 secs Computing kpt #: 38 total cpu time spent up to now is 113.8 secs Computing kpt #: 39 total cpu time spent up to now is 116.2 secs Computing kpt #: 40 total cpu time spent up to now is 118.3 secs Computing kpt #: 41 total cpu time spent up to now is 120.6 secs Computing kpt #: 42 total cpu time spent up to now is 122.7 secs Computing kpt #: 43 total cpu time spent up to now is 124.8 secs Computing kpt #: 44 total cpu time spent up to now is 127.2 secs Computing kpt #: 45 total cpu time spent up to now is 129.2 secs Computing kpt #: 46 total cpu time spent up to now is 131.3 secs Computing kpt #: 47 total cpu time spent up to now is 133.2 secs Computing kpt #: 48 total cpu time spent up to now is 135.3 secs Computing kpt #: 49 total cpu time spent up to now is 137.7 secs Computing kpt #: 50 total cpu time spent up to now is 140.0 secs Computing kpt #: 51 total cpu time spent up to now is 141.9 secs Computing kpt #: 52 total cpu time spent up to now is 144.3 secs Computing kpt #: 53 total cpu time spent up to now is 146.5 secs Computing kpt #: 54 total cpu time spent up to now is 148.7 secs Computing kpt #: 55 total cpu time spent up to now is 151.0 secs Computing kpt #: 56 total cpu time spent up to now is 153.1 secs Computing kpt #: 57 total cpu time spent up to now is 155.4 secs Computing kpt #: 58 total cpu time spent up to now is 157.6 secs Computing kpt #: 59 total cpu time spent up to now is 160.2 secs Computing kpt #: 60 total cpu time spent up to now is 162.8 secs Computing kpt #: 61 total cpu time spent up to now is 165.4 secs Computing kpt #: 62 total cpu time spent up to now is 168.0 secs Computing kpt #: 63 total cpu time spent up to now is 170.7 secs Computing kpt #: 64 total cpu time spent up to now is 173.3 secs Computing kpt #: 65 total cpu time spent up to now is 176.0 secs Computing kpt #: 66 total cpu time spent up to now is 179.1 secs Computing kpt #: 67 total cpu time spent up to now is 182.8 secs Computing kpt #: 68 total cpu time spent up to now is 187.3 secs Computing kpt #: 69 total cpu time spent up to now is 191.2 secs Computing kpt #: 70 total cpu time spent up to now is 194.8 secs Computing kpt #: 71 total cpu time spent up to now is 198.0 secs Computing kpt #: 72 total cpu time spent up to now is 201.0 secs Computing kpt #: 73 total cpu time spent up to now is 203.9 secs Computing kpt #: 74 total cpu time spent up to now is 206.8 secs Computing kpt #: 75 total cpu time spent up to now is 209.7 secs Computing kpt #: 76 total cpu time spent up to now is 212.4 secs Computing kpt #: 77 total cpu time spent up to now is 215.0 secs Computing kpt #: 78 total cpu time spent up to now is 217.8 secs Computing kpt #: 79 total cpu time spent up to now is 220.6 secs Computing kpt #: 80 total cpu time spent up to now is 223.4 secs Computing kpt #: 81 total cpu time spent up to now is 226.1 secs Computing kpt #: 82 total cpu time spent up to now is 229.1 secs Computing kpt #: 83 total cpu time spent up to now is 232.0 secs Computing kpt #: 84 total cpu time spent up to now is 235.1 secs Computing kpt #: 85 total cpu time spent up to now is 238.0 secs Computing kpt #: 86 total cpu time spent up to now is 241.4 secs Computing kpt #: 87 total cpu time spent up to now is 244.6 secs Computing kpt #: 88 total cpu time spent up to now is 247.5 secs Computing kpt #: 89 total cpu time spent up to now is 250.6 secs Computing kpt #: 90 total cpu time spent up to now is 253.9 secs Computing kpt #: 91 total cpu time spent up to now is 257.4 secs Computing kpt #: 92 total cpu time spent up to now is 261.0 secs Computing kpt #: 93 total cpu time spent up to now is 264.3 secs Computing kpt #: 94 total cpu time spent up to now is 267.7 secs Computing kpt #: 95 total cpu time spent up to now is 270.8 secs Computing kpt #: 96 total cpu time spent up to now is 273.9 secs Computing kpt #: 97 total cpu time spent up to now is 277.1 secs Computing kpt #: 98 total cpu time spent up to now is 280.3 secs Computing kpt #: 99 total cpu time spent up to now is 283.7 secs Computing kpt #: 100 total cpu time spent up to now is 287.0 secs Computing kpt #: 101 total cpu time spent up to now is 290.4 secs Computing kpt #: 102 total cpu time spent up to now is 293.8 secs Computing kpt #: 103 total cpu time spent up to now is 296.9 secs Computing kpt #: 104 total cpu time spent up to now is 300.5 secs Computing kpt #: 105 total cpu time spent up to now is 304.6 secs Computing kpt #: 106 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 310.7 secs Computing kpt #: 107 total cpu time spent up to now is 314.2 secs Computing kpt #: 108 total cpu time spent up to now is 317.4 secs Computing kpt #: 109 total cpu time spent up to now is 320.7 secs Computing kpt #: 110 total cpu time spent up to now is 323.4 secs Computing kpt #: 111 total cpu time spent up to now is 326.2 secs Computing kpt #: 112 total cpu time spent up to now is 328.9 secs Computing kpt #: 113 total cpu time spent up to now is 331.7 secs Computing kpt #: 114 total cpu time spent up to now is 334.4 secs Computing kpt #: 115 total cpu time spent up to now is 336.9 secs Computing kpt #: 116 total cpu time spent up to now is 339.6 secs Computing kpt #: 117 total cpu time spent up to now is 342.3 secs Computing kpt #: 118 total cpu time spent up to now is 344.9 secs Computing kpt #: 119 total cpu time spent up to now is 347.3 secs Computing kpt #: 120 total cpu time spent up to now is 350.6 secs Computing kpt #: 121 total cpu time spent up to now is 353.0 secs Computing kpt #: 122 total cpu time spent up to now is 355.5 secs Computing kpt #: 123 total cpu time spent up to now is 357.8 secs Computing kpt #: 124 total cpu time spent up to now is 360.3 secs Computing kpt #: 125 total cpu time spent up to now is 362.7 secs Computing kpt #: 126 total cpu time spent up to now is 365.2 secs Computing kpt #: 127 total cpu time spent up to now is 367.6 secs Computing kpt #: 128 total cpu time spent up to now is 369.9 secs Computing kpt #: 129 total cpu time spent up to now is 372.3 secs Computing kpt #: 130 total cpu time spent up to now is 374.7 secs Computing kpt #: 131 total cpu time spent up to now is 376.9 secs Computing kpt #: 132 total cpu time spent up to now is 379.3 secs Computing kpt #: 133 total cpu time spent up to now is 381.6 secs Computing kpt #: 134 total cpu time spent up to now is 384.0 secs Computing kpt #: 135 total cpu time spent up to now is 386.4 secs Computing kpt #: 136 total cpu time spent up to now is 388.7 secs Computing kpt #: 137 total cpu time spent up to now is 391.1 secs Computing kpt #: 138 total cpu time spent up to now is 393.3 secs Computing kpt #: 139 total cpu time spent up to now is 395.6 secs Computing kpt #: 140 total cpu time spent up to now is 397.8 secs Computing kpt #: 141 total cpu time spent up to now is 400.0 secs Computing kpt #: 142 total cpu time spent up to now is 402.3 secs Computing kpt #: 143 total cpu time spent up to now is 404.7 secs Computing kpt #: 144 total cpu time spent up to now is 407.0 secs Computing kpt #: 145 total cpu time spent up to now is 409.4 secs Computing kpt #: 146 total cpu time spent up to now is 411.9 secs Computing kpt #: 147 total cpu time spent up to now is 414.2 secs Computing kpt #: 148 total cpu time spent up to now is 416.6 secs Computing kpt #: 149 total cpu time spent up to now is 418.8 secs Computing kpt #: 150 total cpu time spent up to now is 421.0 secs Computing kpt #: 151 total cpu time spent up to now is 423.2 secs Computing kpt #: 152 total cpu time spent up to now is 426.1 secs Computing kpt #: 153 total cpu time spent up to now is 428.6 secs Computing kpt #: 154 total cpu time spent up to now is 430.9 secs Computing kpt #: 155 total cpu time spent up to now is 433.5 secs Computing kpt #: 156 total cpu time spent up to now is 436.1 secs Computing kpt #: 157 total cpu time spent up to now is 438.6 secs Computing kpt #: 158 total cpu time spent up to now is 441.3 secs Computing kpt #: 159 total cpu time spent up to now is 444.1 secs Computing kpt #: 160 total cpu time spent up to now is 447.0 secs Computing kpt #: 161 total cpu time spent up to now is 450.0 secs Computing kpt #: 162 total cpu time spent up to now is 453.5 secs Computing kpt #: 163 total cpu time spent up to now is 457.9 secs Computing kpt #: 164 total cpu time spent up to now is 462.4 secs Computing kpt #: 165 total cpu time spent up to now is 466.2 secs Computing kpt #: 166 total cpu time spent up to now is 469.4 secs Computing kpt #: 167 total cpu time spent up to now is 472.6 secs Computing kpt #: 168 total cpu time spent up to now is 475.7 secs Computing kpt #: 169 total cpu time spent up to now is 478.9 secs Computing kpt #: 170 total cpu time spent up to now is 482.2 secs Computing kpt #: 171 total cpu time spent up to now is 485.4 secs Computing kpt #: 172 total cpu time spent up to now is 488.7 secs Computing kpt #: 173 total cpu time spent up to now is 491.9 secs Computing kpt #: 174 total cpu time spent up to now is 494.3 secs Computing kpt #: 175 total cpu time spent up to now is 496.6 secs Computing kpt #: 176 total cpu time spent up to now is 498.9 secs Computing kpt #: 177 total cpu time spent up to now is 501.3 secs Computing kpt #: 178 total cpu time spent up to now is 503.8 secs Computing kpt #: 179 total cpu time spent up to now is 506.3 secs Computing kpt #: 180 total cpu time spent up to now is 508.9 secs Computing kpt #: 181 total cpu time spent up to now is 511.5 secs Computing kpt #: 182 total cpu time spent up to now is 514.0 secs Computing kpt #: 183 total cpu time spent up to now is 516.4 secs Computing kpt #: 184 total cpu time spent up to now is 519.0 secs Computing kpt #: 185 total cpu time spent up to now is 521.4 secs Computing kpt #: 186 total cpu time spent up to now is 523.8 secs Computing kpt #: 187 total cpu time spent up to now is 526.1 secs Computing kpt #: 188 total cpu time spent up to now is 528.6 secs Computing kpt #: 189 total cpu time spent up to now is 531.2 secs Computing kpt #: 190 total cpu time spent up to now is 533.6 secs Computing kpt #: 191 total cpu time spent up to now is 535.8 secs Computing kpt #: 192 total cpu time spent up to now is 538.3 secs Computing kpt #: 193 total cpu time spent up to now is 540.2 secs Computing kpt #: 194 total cpu time spent up to now is 542.4 secs Computing kpt #: 195 total cpu time spent up to now is 544.4 secs Computing kpt #: 196 total cpu time spent up to now is 546.6 secs Computing kpt #: 197 total cpu time spent up to now is 548.8 secs Computing kpt #: 198 total cpu time spent up to now is 551.1 secs Computing kpt #: 199 total cpu time spent up to now is 553.6 secs Computing kpt #: 200 total cpu time spent up to now is 556.2 secs Computing kpt #: 201 total cpu time spent up to now is 558.5 secs Computing kpt #: 202 total cpu time spent up to now is 560.8 secs Computing kpt #: 203 total cpu time spent up to now is 563.2 secs Computing kpt #: 204 total cpu time spent up to now is 565.4 secs Computing kpt #: 205 total cpu time spent up to now is 567.6 secs Computing kpt #: 206 total cpu time spent up to now is 569.8 secs Computing kpt #: 207 total cpu time spent up to now is 572.0 secs ethr = 1.56E-08, avg # of iterations = 33.1 total cpu time spent up to now is 572.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 12251 PWs) bands (ev): -27.7777 -27.7777 -27.7253 -27.7253 -14.6347 -14.6347 -12.8067 -12.8067 -12.7788 -12.7788 -12.5325 -12.5325 -12.3351 -12.3351 -11.7650 -11.7650 -11.4751 -11.4751 -11.4554 -11.4554 -11.4318 -11.4318 -11.3480 -11.3480 -10.6676 -10.6676 -10.4327 -10.4327 -7.6124 -7.6124 -7.4011 -7.4011 -6.9826 -6.9826 -4.8292 -4.8292 -4.8229 -4.8229 -3.7377 -3.7377 -2.2835 -2.2835 -1.7858 -1.7858 -1.6117 -1.6117 0.1065 0.1065 0.1151 0.1151 0.6702 0.6702 0.7110 0.7110 0.9683 0.9683 1.0834 1.0834 1.3103 1.3103 1.5677 1.5677 1.8435 1.8435 2.0959 2.0959 2.6352 2.6352 2.6716 2.6716 2.8230 2.8230 4.4700 4.4700 4.4946 4.4946 k = 0.0185 0.0107-0.0000 ( 12267 PWs) bands (ev): -27.7777 -27.7777 -27.7253 -27.7253 -14.6346 -14.6346 -12.8067 -12.8067 -12.7788 -12.7788 -12.5324 -12.5324 -12.3353 -12.3353 -11.7648 -11.7648 -11.4754 -11.4754 -11.4553 -11.4553 -11.4317 -11.4317 -11.3479 -11.3479 -10.6677 -10.6677 -10.4328 -10.4328 -7.6123 -7.6123 -7.4011 -7.4011 -6.9826 -6.9826 -4.8296 -4.8296 -4.8231 -4.8231 -3.7368 -3.7368 -2.2827 -2.2827 -1.7853 -1.7853 -1.6116 -1.6116 0.1063 0.1063 0.1149 0.1149 0.6703 0.6703 0.7125 0.7125 0.9652 0.9652 1.0852 1.0852 1.3115 1.3115 1.5676 1.5676 1.8431 1.8431 2.0950 2.0950 2.6347 2.6347 2.6711 2.6711 2.8220 2.8220 4.4673 4.4673 4.4926 4.4926 k = 0.0370 0.0214-0.0000 ( 12289 PWs) bands (ev): -27.7776 -27.7776 -27.7255 -27.7255 -14.6345 -14.6345 -12.8068 -12.8068 -12.7788 -12.7788 -12.5320 -12.5320 -12.3359 -12.3359 -11.7641 -11.7641 -11.4763 -11.4763 -11.4552 -11.4552 -11.4314 -11.4314 -11.3478 -11.3478 -10.6680 -10.6680 -10.4333 -10.4333 -7.6121 -7.6121 -7.4011 -7.4011 -6.9825 -6.9825 -4.8308 -4.8308 -4.8238 -4.8238 -3.7342 -3.7342 -2.2803 -2.2803 -1.7841 -1.7841 -1.6111 -1.6111 0.1057 0.1057 0.1144 0.1144 0.6708 0.6708 0.7168 0.7168 0.9567 0.9567 1.0901 1.0901 1.3148 1.3148 1.5671 1.5671 1.8420 1.8420 2.0924 2.0924 2.6332 2.6332 2.6698 2.6698 2.8191 2.8191 4.4553 4.4553 4.4906 4.4906 k = 0.0556 0.0321-0.0000 ( 12281 PWs) bands (ev): -27.7774 -27.7774 -27.7257 -27.7257 -14.6342 -14.6342 -12.8069 -12.8069 -12.7789 -12.7789 -12.5314 -12.5314 -12.3368 -12.3368 -11.7629 -11.7629 -11.4778 -11.4778 -11.4551 -11.4551 -11.4310 -11.4310 -11.3476 -11.3476 -10.6684 -10.6684 -10.4340 -10.4340 -7.6118 -7.6118 -7.4009 -7.4009 -6.9822 -6.9822 -4.8333 -4.8333 -4.8244 -4.8244 -3.7299 -3.7299 -2.2764 -2.2764 -1.7819 -1.7819 -1.6104 -1.6104 0.1044 0.1044 0.1140 0.1140 0.6718 0.6718 0.7237 0.7237 0.9440 0.9440 1.0966 1.0966 1.3203 1.3203 1.5662 1.5662 1.8403 1.8403 2.0881 2.0881 2.6304 2.6304 2.6678 2.6678 2.8143 2.8143 4.4312 4.4312 4.4926 4.4926 k = 0.0741 0.0428-0.0000 ( 12281 PWs) bands (ev): -27.7771 -27.7771 -27.7259 -27.7259 -14.6339 -14.6339 -12.8070 -12.8070 -12.7790 -12.7790 -12.5305 -12.5305 -12.3381 -12.3381 -11.7612 -11.7612 -11.4799 -11.4799 -11.4548 -11.4548 -11.4304 -11.4304 -11.3473 -11.3473 -10.6689 -10.6689 -10.4351 -10.4351 -7.6114 -7.6114 -7.4008 -7.4008 -6.9819 -6.9819 -4.8372 -4.8372 -4.8247 -4.8247 -3.7239 -3.7239 -2.2710 -2.2710 -1.7790 -1.7790 -1.6094 -1.6094 0.1020 0.1020 0.1141 0.1141 0.6734 0.6734 0.7330 0.7330 0.9287 0.9287 1.1034 1.1034 1.3280 1.3280 1.5647 1.5647 1.8383 1.8383 2.0824 2.0824 2.6262 2.6262 2.6653 2.6653 2.8078 2.8078 4.3971 4.3971 4.4977 4.4977 k = 0.0926 0.0535-0.0000 ( 12301 PWs) bands (ev): -27.7768 -27.7768 -27.7263 -27.7263 -14.6335 -14.6335 -12.8071 -12.8071 -12.7792 -12.7792 -12.5294 -12.5294 -12.3398 -12.3398 -11.7591 -11.7591 -11.4824 -11.4824 -11.4546 -11.4546 -11.4297 -11.4297 -11.3470 -11.3470 -10.6696 -10.6696 -10.4364 -10.4364 -7.6109 -7.6109 -7.4006 -7.4006 -6.9815 -6.9815 -4.8425 -4.8425 -4.8249 -4.8249 -3.7163 -3.7163 -2.2643 -2.2643 -1.7753 -1.7753 -1.6080 -1.6080 0.0986 0.0986 0.1147 0.1147 0.6755 0.6755 0.7441 0.7441 0.9117 0.9117 1.1098 1.1098 1.3378 1.3378 1.5622 1.5622 1.8363 1.8363 2.0755 2.0755 2.6203 2.6203 2.6627 2.6627 2.7996 2.7996 4.3554 4.3554 4.5050 4.5050 k = 0.1111 0.0642-0.0000 ( 12299 PWs) bands (ev): -27.7763 -27.7763 -27.7267 -27.7267 -14.6330 -14.6330 -12.8073 -12.8073 -12.7793 -12.7793 -12.5281 -12.5281 -12.3418 -12.3418 -11.7566 -11.7566 -11.4854 -11.4854 -11.4543 -11.4543 -11.4289 -11.4289 -11.3466 -11.3466 -10.6705 -10.6705 -10.4379 -10.4379 -7.6103 -7.6103 -7.4004 -7.4004 -6.9810 -6.9810 -4.8489 -4.8489 -4.8249 -4.8249 -3.7072 -3.7072 -2.2565 -2.2565 -1.7708 -1.7708 -1.6062 -1.6062 0.0944 0.0944 0.1158 0.1158 0.6782 0.6782 0.7568 0.7568 0.8938 0.8938 1.1154 1.1154 1.3495 1.3495 1.5584 1.5584 1.8349 1.8349 2.0677 2.0677 2.6126 2.6126 2.6599 2.6599 2.7900 2.7900 4.3079 4.3079 4.5139 4.5139 k = 0.1296 0.0748-0.0000 ( 12323 PWs) bands (ev): -27.7758 -27.7758 -27.7272 -27.7272 -14.6324 -14.6324 -12.8076 -12.8076 -12.7795 -12.7795 -12.5265 -12.5265 -12.3441 -12.3441 -11.7536 -11.7536 -11.4887 -11.4887 -11.4541 -11.4541 -11.4281 -11.4281 -11.3462 -11.3462 -10.6714 -10.6714 -10.4397 -10.4397 -7.6096 -7.6096 -7.4001 -7.4001 -6.9804 -6.9804 -4.8562 -4.8562 -4.8248 -4.8248 -3.6966 -3.6966 -2.2478 -2.2478 -1.7657 -1.7657 -1.6040 -1.6040 0.0895 0.0895 0.1172 0.1172 0.6814 0.6814 0.7705 0.7705 0.8757 0.8757 1.1198 1.1198 1.3629 1.3629 1.5529 1.5529 1.8347 1.8347 2.0595 2.0595 2.6032 2.6032 2.6570 2.6570 2.7793 2.7793 4.2561 4.2561 4.5242 4.5242 k = 0.1481 0.0855-0.0000 ( 12321 PWs) bands (ev): -27.7753 -27.7753 -27.7278 -27.7278 -14.6317 -14.6317 -12.8078 -12.8078 -12.7797 -12.7797 -12.5247 -12.5247 -12.3468 -12.3468 -11.7502 -11.7502 -11.4924 -11.4924 -11.4538 -11.4538 -11.4273 -11.4273 -11.3457 -11.3457 -10.6725 -10.6725 -10.4416 -10.4416 -7.6088 -7.6088 -7.3998 -7.3998 -6.9798 -6.9798 -4.8645 -4.8645 -4.8246 -4.8246 -3.6847 -3.6847 -2.2384 -2.2384 -1.7598 -1.7598 -1.6013 -1.6013 0.0843 0.0843 0.1190 0.1190 0.6851 0.6851 0.7844 0.7844 0.8583 0.8583 1.1232 1.1232 1.3776 1.3776 1.5455 1.5455 1.8360 1.8360 2.0511 2.0511 2.5921 2.5921 2.6538 2.6538 2.7679 2.7679 4.2012 4.2012 4.5357 4.5357 k = 0.1667 0.0962-0.0000 ( 12335 PWs) bands (ev): -27.7746 -27.7746 -27.7284 -27.7284 -14.6310 -14.6310 -12.8081 -12.8081 -12.7799 -12.7799 -12.5227 -12.5227 -12.3497 -12.3497 -11.7465 -11.7465 -11.4965 -11.4965 -11.4535 -11.4535 -11.4264 -11.4264 -11.3451 -11.3451 -10.6737 -10.6737 -10.4437 -10.4437 -7.6080 -7.6080 -7.3995 -7.3995 -6.9791 -6.9791 -4.8734 -4.8734 -4.8244 -4.8244 -3.6715 -3.6715 -2.2286 -2.2286 -1.7534 -1.7534 -1.5981 -1.5981 0.0788 0.0788 0.1210 0.1210 0.6890 0.6890 0.7962 0.7962 0.8438 0.8438 1.1255 1.1255 1.3933 1.3933 1.5359 1.5359 1.8395 1.8395 2.0431 2.0431 2.5796 2.5796 2.6498 2.6498 2.7561 2.7561 4.1443 4.1443 4.5481 4.5481 k = 0.1852 0.1069-0.0000 ( 12323 PWs) bands (ev): -27.7740 -27.7740 -27.7291 -27.7291 -14.6302 -14.6302 -12.8084 -12.8084 -12.7801 -12.7801 -12.5205 -12.5205 -12.3529 -12.3529 -11.7424 -11.7424 -11.5009 -11.5009 -11.4533 -11.4533 -11.4255 -11.4255 -11.3445 -11.3445 -10.6750 -10.6750 -10.4459 -10.4459 -7.6071 -7.6071 -7.3992 -7.3992 -6.9784 -6.9784 -4.8829 -4.8829 -4.8241 -4.8241 -3.6573 -3.6573 -2.2186 -2.2186 -1.7465 -1.7465 -1.5944 -1.5944 0.0731 0.0731 0.1232 0.1232 0.6929 0.6929 0.7990 0.7990 0.8391 0.8391 1.1270 1.1270 1.4093 1.4093 1.5245 1.5245 1.8452 1.8452 2.0360 2.0360 2.5659 2.5659 2.6447 2.6447 2.7447 2.7447 4.0861 4.0861 4.5592 4.5593 k = 0.2037 0.1176-0.0000 ( 12327 PWs) bands (ev): -27.7732 -27.7732 -27.7299 -27.7299 -14.6294 -14.6294 -12.8087 -12.8087 -12.7803 -12.7803 -12.5181 -12.5181 -12.3563 -12.3563 -11.7379 -11.7379 -11.5055 -11.5055 -11.4530 -11.4530 -11.4246 -11.4246 -11.3440 -11.3440 -10.6764 -10.6764 -10.4482 -10.4482 -7.6062 -7.6062 -7.3988 -7.3988 -6.9776 -6.9776 -4.8928 -4.8928 -4.8238 -4.8238 -3.6422 -3.6422 -2.2086 -2.2086 -1.7392 -1.7392 -1.5902 -1.5902 0.0675 0.0675 0.1256 0.1256 0.6964 0.6964 0.7896 0.7896 0.8477 0.8477 1.1277 1.1277 1.4247 1.4247 1.5120 1.5120 1.8531 1.8531 2.0305 2.0305 2.5512 2.5512 2.6380 2.6380 2.7341 2.7341 4.0272 4.0272 4.4965 4.4965 k = 0.2222 0.1283-0.0000 ( 12311 PWs) bands (ev): -27.7724 -27.7724 -27.7307 -27.7307 -14.6285 -14.6285 -12.8090 -12.8090 -12.7806 -12.7806 -12.5155 -12.5155 -12.3599 -12.3599 -11.7332 -11.7332 -11.5104 -11.5104 -11.4528 -11.4528 -11.4238 -11.4238 -11.3433 -11.3433 -10.6778 -10.6778 -10.4506 -10.4506 -7.6052 -7.6052 -7.3985 -7.3985 -6.9768 -6.9768 -4.9030 -4.9030 -4.8235 -4.8235 -3.6263 -3.6263 -2.1988 -2.1988 -1.7315 -1.7315 -1.5854 -1.5854 0.0619 0.0619 0.1282 0.1282 0.6991 0.6991 0.7763 0.7763 0.8613 0.8613 1.1279 1.1279 1.4370 1.4370 1.5010 1.5010 1.8623 1.8623 2.0278 2.0278 2.5358 2.5358 2.6293 2.6293 2.7250 2.7250 3.9679 3.9679 4.4175 4.4175 k = 0.2407 0.1390-0.0000 ( 12315 PWs) bands (ev): -27.7715 -27.7715 -27.7316 -27.7316 -14.6277 -14.6277 -12.8094 -12.8094 -12.7808 -12.7808 -12.5127 -12.5127 -12.3637 -12.3637 -11.7281 -11.7281 -11.5156 -11.5156 -11.4525 -11.4525 -11.4230 -11.4230 -11.3427 -11.3427 -10.6792 -10.6792 -10.4530 -10.4530 -7.6042 -7.6042 -7.3981 -7.3981 -6.9760 -6.9760 -4.9133 -4.9133 -4.8232 -4.8232 -3.6099 -3.6099 -2.1896 -2.1896 -1.7236 -1.7236 -1.5801 -1.5801 0.0564 0.0564 0.1310 0.1310 0.6997 0.6997 0.7643 0.7643 0.8760 0.8760 1.1276 1.1276 1.4406 1.4406 1.4971 1.4971 1.8718 1.8718 2.0295 2.0295 2.5200 2.5200 2.6185 2.6185 2.7177 2.7177 3.9084 3.9084 4.3376 4.3376 k = 0.2593 0.1497-0.0000 ( 12322 PWs) bands (ev): -27.7706 -27.7706 -27.7325 -27.7325 -14.6268 -14.6268 -12.8098 -12.8098 -12.7810 -12.7810 -12.5098 -12.5098 -12.3677 -12.3677 -11.7229 -11.7229 -11.5209 -11.5209 -11.4523 -11.4523 -11.4222 -11.4222 -11.3421 -11.3421 -10.6807 -10.6807 -10.4554 -10.4554 -7.6033 -7.6033 -7.3977 -7.3977 -6.9752 -6.9752 -4.9236 -4.9236 -4.8229 -4.8229 -3.5931 -3.5931 -2.1809 -2.1809 -1.7156 -1.7156 -1.5742 -1.5742 0.0512 0.0512 0.1338 0.1338 0.6969 0.6969 0.7557 0.7557 0.8903 0.8903 1.1268 1.1268 1.4321 1.4321 1.5043 1.5043 1.8797 1.8797 2.0373 2.0373 2.5038 2.5038 2.6059 2.6059 2.7122 2.7122 3.8485 3.8485 4.2580 4.2580 k = 0.2778 0.1604-0.0000 ( 12336 PWs) bands (ev): -27.7697 -27.7697 -27.7334 -27.7334 -14.6259 -14.6259 -12.8102 -12.8102 -12.7812 -12.7812 -12.5067 -12.5067 -12.3717 -12.3717 -11.7174 -11.7174 -11.5264 -11.5264 -11.4521 -11.4521 -11.4214 -11.4214 -11.3415 -11.3415 -10.6822 -10.6822 -10.4577 -10.4577 -7.6023 -7.6023 -7.3974 -7.3974 -6.9744 -6.9744 -4.9337 -4.9337 -4.8225 -4.8225 -3.5762 -3.5762 -2.1730 -2.1730 -1.7076 -1.7076 -1.5679 -1.5679 0.0462 0.0462 0.1368 0.1368 0.6900 0.6900 0.7517 0.7517 0.9039 0.9039 1.1257 1.1257 1.4164 1.4164 1.5177 1.5177 1.8846 1.8846 2.0530 2.0530 2.4877 2.4877 2.5918 2.5918 2.7082 2.7082 3.7880 3.7880 4.1801 4.1801 k = 0.2963 0.1711-0.0000 ( 12350 PWs) bands (ev): -27.7687 -27.7687 -27.7344 -27.7344 -14.6251 -14.6251 -12.8105 -12.8105 -12.7813 -12.7813 -12.5036 -12.5036 -12.3758 -12.3758 -11.7118 -11.7118 -11.5321 -11.5321 -11.4520 -11.4520 -11.4206 -11.4206 -11.3410 -11.3410 -10.6837 -10.6837 -10.4600 -10.4600 -7.6014 -7.6014 -7.3970 -7.3970 -6.9736 -6.9736 -4.9435 -4.9435 -4.8222 -4.8222 -3.5595 -3.5595 -2.1659 -2.1659 -1.6998 -1.6998 -1.5612 -1.5612 0.0416 0.0416 0.1397 0.1397 0.6800 0.6800 0.7514 0.7514 0.9164 0.9164 1.1243 1.1243 1.3984 1.3984 1.5330 1.5330 1.8857 1.8857 2.0770 2.0770 2.4719 2.4719 2.5769 2.5769 2.7054 2.7054 3.7263 3.7263 4.1054 4.1054 k = 0.3148 0.1818-0.0000 ( 12350 PWs) bands (ev): -27.7677 -27.7677 -27.7354 -27.7354 -14.6243 -14.6243 -12.8109 -12.8109 -12.7815 -12.7815 -12.5003 -12.5003 -12.3800 -12.3800 -11.7060 -11.7060 -11.5378 -11.5378 -11.4518 -11.4518 -11.4200 -11.4200 -11.3404 -11.3404 -10.6851 -10.6851 -10.4621 -10.4621 -7.6005 -7.6005 -7.3967 -7.3967 -6.9729 -6.9729 -4.9530 -4.9530 -4.8218 -4.8218 -3.5431 -3.5431 -2.1597 -2.1597 -1.6922 -1.6922 -1.5543 -1.5543 0.0373 0.0373 0.1427 0.1427 0.6685 0.6685 0.7533 0.7533 0.9278 0.9278 1.1225 1.1225 1.3800 1.3800 1.5485 1.5485 1.8837 1.8837 2.1088 2.1088 2.4565 2.4565 2.5617 2.5617 2.7035 2.7035 3.6629 3.6629 4.0353 4.0353 k = 0.3333 0.1925-0.0000 ( 12348 PWs) bands (ev): -27.7667 -27.7667 -27.7364 -27.7364 -14.6235 -14.6235 -12.8113 -12.8113 -12.7816 -12.7816 -12.4971 -12.4971 -12.3842 -12.3842 -11.7002 -11.7002 -11.5436 -11.5436 -11.4517 -11.4517 -11.4193 -11.4193 -11.3399 -11.3399 -10.6864 -10.6864 -10.4642 -10.4642 -7.5996 -7.5996 -7.3963 -7.3963 -6.9722 -6.9722 -4.9618 -4.9618 -4.8215 -4.8215 -3.5273 -3.5273 -2.1544 -2.1544 -1.6850 -1.6850 -1.5472 -1.5472 0.0334 0.0334 0.1455 0.1455 0.6567 0.6567 0.7560 0.7560 0.9381 0.9381 1.1203 1.1203 1.3623 1.3623 1.5636 1.5636 1.8794 1.8794 2.1471 2.1471 2.4419 2.4419 2.5467 2.5467 2.7022 2.7022 3.5971 3.5971 3.9712 3.9712 k = 0.3519 0.2031-0.0000 ( 12342 PWs) bands (ev): -27.7657 -27.7657 -27.7375 -27.7375 -14.6227 -14.6227 -12.8116 -12.8116 -12.7818 -12.7818 -12.4938 -12.4938 -12.3883 -12.3883 -11.6944 -11.6944 -11.5494 -11.5494 -11.4516 -11.4516 -11.4187 -11.4187 -11.3395 -11.3395 -10.6877 -10.6877 -10.4660 -10.4660 -7.5989 -7.5989 -7.3960 -7.3960 -6.9715 -6.9715 -4.9701 -4.9701 -4.8212 -4.8212 -3.5123 -3.5123 -2.1499 -2.1499 -1.6783 -1.6783 -1.5402 -1.5402 0.0299 0.0299 0.1483 0.1483 0.6454 0.6454 0.7590 0.7590 0.9474 0.9474 1.1176 1.1176 1.3459 1.3459 1.5778 1.5778 1.8737 1.8737 2.1907 2.1907 2.4284 2.4284 2.5323 2.5323 2.7014 2.7014 3.5289 3.5289 3.9141 3.9141 k = 0.3704 0.2138-0.0000 ( 12346 PWs) bands (ev): -27.7647 -27.7647 -27.7385 -27.7385 -14.6221 -14.6221 -12.8119 -12.8119 -12.7819 -12.7819 -12.4906 -12.4906 -12.3923 -12.3923 -11.6887 -11.6887 -11.5550 -11.5550 -11.4515 -11.4515 -11.4182 -11.4182 -11.3391 -11.3391 -10.6889 -10.6889 -10.4677 -10.4677 -7.5981 -7.5981 -7.3957 -7.3957 -6.9709 -6.9709 -4.9776 -4.9776 -4.8209 -4.8209 -3.4984 -3.4984 -2.1463 -2.1463 -1.6721 -1.6721 -1.5334 -1.5334 0.0269 0.0269 0.1509 0.1509 0.6349 0.6349 0.7619 0.7619 0.9556 0.9556 1.1144 1.1144 1.3313 1.3313 1.5911 1.5911 1.8673 1.8673 2.2382 2.2382 2.4163 2.4163 2.5188 2.5188 2.7008 2.7008 3.4586 3.4586 3.8645 3.8645 k = 0.3889 0.2245-0.0000 ( 12360 PWs) bands (ev): -27.7637 -27.7637 -27.7394 -27.7394 -14.6215 -14.6215 -12.8122 -12.8122 -12.7820 -12.7820 -12.4874 -12.4874 -12.3960 -12.3960 -11.6831 -11.6831 -11.5606 -11.5606 -11.4514 -11.4514 -11.4177 -11.4177 -11.3387 -11.3387 -10.6899 -10.6899 -10.4693 -10.4693 -7.5975 -7.5975 -7.3955 -7.3955 -6.9703 -6.9703 -4.9843 -4.9843 -4.8206 -4.8206 -3.4858 -3.4858 -2.1434 -2.1434 -1.6667 -1.6667 -1.5271 -1.5271 0.0242 0.0242 0.1532 0.1532 0.6255 0.6255 0.7645 0.7645 0.9629 0.9629 1.1108 1.1108 1.3187 1.3187 1.6032 1.6032 1.8606 1.8606 2.2879 2.2879 2.4065 2.4065 2.5066 2.5066 2.7005 2.7005 3.3872 3.3872 3.8226 3.8226 k = 0.4074 0.2352-0.0000 ( 12362 PWs) bands (ev): -27.7628 -27.7628 -27.7403 -27.7403 -14.6210 -14.6210 -12.8125 -12.8125 -12.7820 -12.7820 -12.4845 -12.4845 -12.3995 -12.3995 -11.6779 -11.6779 -11.5658 -11.5658 -11.4513 -11.4513 -11.4173 -11.4173 -11.3384 -11.3384 -10.6908 -10.6908 -10.4706 -10.4706 -7.5969 -7.5969 -7.3953 -7.3953 -6.9698 -6.9698 -4.9901 -4.9901 -4.8204 -4.8204 -3.4747 -3.4747 -2.1411 -2.1411 -1.6619 -1.6619 -1.5213 -1.5213 0.0219 0.0219 0.1553 0.1553 0.6173 0.6173 0.7666 0.7666 0.9693 0.9693 1.1069 1.1069 1.3082 1.3082 1.6139 1.6139 1.8541 1.8541 2.3356 2.3356 2.4017 2.4017 2.4958 2.4958 2.7003 2.7003 3.3164 3.3164 3.7880 3.7880 k = 0.4259 0.2459-0.0000 ( 12362 PWs) bands (ev): -27.7620 -27.7620 -27.7412 -27.7412 -14.6205 -14.6205 -12.8127 -12.8127 -12.7821 -12.7821 -12.4819 -12.4819 -12.4027 -12.4027 -11.6731 -11.6731 -11.5705 -11.5705 -11.4513 -11.4513 -11.4169 -11.4169 -11.3381 -11.3381 -10.6916 -10.6916 -10.4716 -10.4716 -7.5965 -7.5965 -7.3951 -7.3951 -6.9694 -6.9694 -4.9949 -4.9949 -4.8202 -4.8202 -3.4654 -3.4654 -2.1394 -2.1394 -1.6580 -1.6580 -1.5163 -1.5163 0.0201 0.0201 0.1571 0.1571 0.6104 0.6104 0.7683 0.7683 0.9748 0.9748 1.1029 1.1029 1.2998 1.2998 1.6231 1.6231 1.8482 1.8482 2.3651 2.3651 2.4166 2.4166 2.4868 2.4868 2.7002 2.7002 3.2483 3.2483 3.7605 3.7605 k = 0.4444 0.2566-0.0000 ( 12356 PWs) bands (ev): -27.7613 -27.7613 -27.7419 -27.7419 -14.6202 -14.6202 -12.8129 -12.8129 -12.7822 -12.7822 -12.4796 -12.4796 -12.4053 -12.4053 -11.6690 -11.6690 -11.5746 -11.5746 -11.4513 -11.4513 -11.4167 -11.4167 -11.3379 -11.3379 -10.6922 -10.6922 -10.4725 -10.4725 -7.5961 -7.5961 -7.3950 -7.3950 -6.9691 -6.9691 -4.9988 -4.9988 -4.8200 -4.8200 -3.4579 -3.4579 -2.1382 -2.1382 -1.6548 -1.6548 -1.5123 -1.5123 0.0187 0.0187 0.1585 0.1585 0.6050 0.6050 0.7696 0.7696 0.9794 0.9794 1.0992 1.0992 1.2935 1.2935 1.6306 1.6306 1.8431 1.8431 2.3683 2.3683 2.4564 2.4564 2.4798 2.4798 2.7001 2.7001 3.1862 3.1862 3.7394 3.7394 k = 0.4630 0.2673-0.0000 ( 12358 PWs) bands (ev): -27.7608 -27.7608 -27.7424 -27.7424 -14.6199 -14.6199 -12.8130 -12.8130 -12.7822 -12.7822 -12.4779 -12.4779 -12.4073 -12.4073 -11.6658 -11.6658 -11.5778 -11.5778 -11.4512 -11.4512 -11.4165 -11.4165 -11.3378 -11.3378 -10.6927 -10.6927 -10.4731 -10.4731 -7.5959 -7.5959 -7.3948 -7.3948 -6.9689 -6.9689 -5.0015 -5.0015 -4.8199 -4.8199 -3.4525 -3.4525 -2.1373 -2.1373 -1.6526 -1.6526 -1.5093 -1.5093 0.0177 0.0177 0.1596 0.1596 0.6012 0.6012 0.7705 0.7705 0.9828 0.9828 1.0962 1.0962 1.2891 1.2891 1.6361 1.6361 1.8392 1.8392 2.3659 2.3659 2.4739 2.4739 2.4973 2.4973 2.7000 2.7000 3.1345 3.1345 3.7247 3.7247 k = 0.4815 0.2780-0.0000 ( 12352 PWs) bands (ev): -27.7605 -27.7605 -27.7427 -27.7427 -14.6198 -14.6198 -12.8131 -12.8131 -12.7822 -12.7822 -12.4768 -12.4768 -12.4085 -12.4085 -11.6637 -11.6637 -11.5798 -11.5798 -11.4512 -11.4512 -11.4163 -11.4163 -11.3377 -11.3377 -10.6930 -10.6930 -10.4735 -10.4735 -7.5957 -7.5957 -7.3948 -7.3948 -6.9687 -6.9687 -5.0032 -5.0032 -4.8198 -4.8198 -3.4492 -3.4492 -2.1369 -2.1369 -1.6512 -1.6512 -1.5075 -1.5075 0.0171 0.0171 0.1602 0.1602 0.5988 0.5988 0.7709 0.7709 0.9850 0.9850 1.0941 1.0941 1.2866 1.2866 1.6395 1.6395 1.8368 1.8368 2.3638 2.3638 2.4709 2.4709 2.5262 2.5262 2.6999 2.6999 3.0991 3.0991 3.7159 3.7159 k = 0.5000 0.2887-0.0000 ( 12350 PWs) bands (ev): -27.7603 -27.7603 -27.7429 -27.7429 -14.6197 -14.6197 -12.8131 -12.8131 -12.7822 -12.7822 -12.4764 -12.4764 -12.4090 -12.4090 -11.6630 -11.6630 -11.5805 -11.5805 -11.4512 -11.4512 -11.4163 -11.4163 -11.3376 -11.3376 -10.6930 -10.6930 -10.4736 -10.4736 -7.5956 -7.5956 -7.3948 -7.3948 -6.9687 -6.9687 -5.0037 -5.0037 -4.8198 -4.8198 -3.4481 -3.4481 -2.1367 -2.1367 -1.6508 -1.6508 -1.5069 -1.5069 0.0169 0.0169 0.1604 0.1604 0.5980 0.5980 0.7711 0.7711 0.9858 0.9858 1.0934 1.0934 1.2857 1.2857 1.6407 1.6407 1.8359 1.8359 2.3631 2.3631 2.4698 2.4698 2.5369 2.5369 2.6999 2.6999 3.0864 3.0864 3.7130 3.7130 k = 0.5000 0.2887-0.0000 ( 12350 PWs) bands (ev): -27.7603 -27.7603 -27.7429 -27.7429 -14.6197 -14.6197 -12.8131 -12.8131 -12.7822 -12.7822 -12.4764 -12.4764 -12.4090 -12.4090 -11.6630 -11.6630 -11.5805 -11.5805 -11.4512 -11.4512 -11.4163 -11.4163 -11.3376 -11.3376 -10.6930 -10.6930 -10.4736 -10.4736 -7.5956 -7.5956 -7.3948 -7.3948 -6.9687 -6.9687 -5.0037 -5.0037 -4.8198 -4.8198 -3.4481 -3.4481 -2.1367 -2.1367 -1.6508 -1.6508 -1.5069 -1.5069 0.0169 0.0169 0.1604 0.1604 0.5980 0.5980 0.7711 0.7711 0.9858 0.9858 1.0934 1.0934 1.2857 1.2857 1.6407 1.6407 1.8359 1.8359 2.3631 2.3631 2.4698 2.4698 2.5369 2.5369 2.6999 2.6999 3.0864 3.0864 3.7130 3.7130 k = 0.4896 0.3067-0.0000 ( 12365 PWs) bands (ev): -27.7603 -27.7603 -27.7429 -27.7429 -14.6197 -14.6197 -12.8131 -12.8131 -12.7822 -12.7822 -12.4763 -12.4763 -12.4091 -12.4091 -11.6628 -11.6628 -11.5806 -11.5806 -11.4515 -11.4515 -11.4161 -11.4161 -11.3376 -11.3376 -10.6930 -10.6930 -10.4737 -10.4737 -7.5956 -7.5956 -7.3948 -7.3948 -6.9687 -6.9687 -5.0033 -5.0033 -4.8204 -4.8204 -3.4478 -3.4478 -2.1362 -2.1362 -1.6505 -1.6505 -1.5072 -1.5072 0.0172 0.0172 0.1600 0.1600 0.5980 0.5980 0.7710 0.7710 0.9863 0.9863 1.0934 1.0934 1.2857 1.2857 1.6405 1.6405 1.8349 1.8349 2.3636 2.3636 2.4697 2.4697 2.5386 2.5386 2.6991 2.6991 3.0865 3.0865 3.7101 3.7101 k = 0.4792 0.3248-0.0000 ( 12361 PWs) bands (ev): -27.7602 -27.7602 -27.7430 -27.7430 -14.6196 -14.6196 -12.8130 -12.8130 -12.7823 -12.7823 -12.4760 -12.4760 -12.4094 -12.4094 -11.6623 -11.6623 -11.5808 -11.5808 -11.4524 -11.4524 -11.4154 -11.4154 -11.3376 -11.3376 -10.6930 -10.6930 -10.4739 -10.4739 -7.5956 -7.5956 -7.3947 -7.3947 -6.9686 -6.9686 -5.0022 -5.0022 -4.8222 -4.8222 -3.4471 -3.4471 -2.1347 -2.1347 -1.6496 -1.6496 -1.5081 -1.5081 0.0181 0.0181 0.1587 0.1587 0.5980 0.5980 0.7705 0.7705 0.9878 0.9878 1.0933 1.0933 1.2858 1.2858 1.6401 1.6401 1.8318 1.8318 2.3652 2.3652 2.4696 2.4696 2.5436 2.5436 2.6968 2.6968 3.0870 3.0870 3.7015 3.7015 k = 0.4688 0.3428-0.0000 ( 12355 PWs) bands (ev): -27.7600 -27.7600 -27.7432 -27.7432 -14.6196 -14.6196 -12.8130 -12.8130 -12.7824 -12.7824 -12.4755 -12.4755 -12.4100 -12.4100 -11.6615 -11.6615 -11.5813 -11.5813 -11.4538 -11.4538 -11.4144 -11.4144 -11.3375 -11.3375 -10.6930 -10.6930 -10.4744 -10.4744 -7.5954 -7.5954 -7.3947 -7.3947 -6.9686 -6.9686 -5.0002 -5.0002 -4.8252 -4.8252 -3.4459 -3.4459 -2.1322 -2.1322 -1.6482 -1.6482 -1.5097 -1.5097 0.0197 0.0197 0.1566 0.1566 0.5979 0.5979 0.7698 0.7698 0.9902 0.9902 1.0931 1.0931 1.2858 1.2858 1.6394 1.6394 1.8268 1.8268 2.3678 2.3678 2.4694 2.4694 2.5515 2.5515 2.6933 2.6933 3.0878 3.0878 3.6874 3.6874 k = 0.4583 0.3608-0.0000 ( 12365 PWs) bands (ev): -27.7597 -27.7597 -27.7435 -27.7435 -14.6195 -14.6195 -12.8130 -12.8130 -12.7825 -12.7825 -12.4748 -12.4748 -12.4108 -12.4108 -11.6603 -11.6603 -11.5819 -11.5819 -11.4555 -11.4555 -11.4131 -11.4131 -11.3374 -11.3374 -10.6929 -10.6929 -10.4749 -10.4749 -7.5953 -7.5953 -7.3947 -7.3947 -6.9685 -6.9685 -4.9975 -4.9975 -4.8294 -4.8294 -3.4442 -3.4442 -2.1289 -2.1289 -1.6461 -1.6461 -1.5119 -1.5119 0.0218 0.0218 0.1537 0.1537 0.5978 0.5978 0.7689 0.7689 0.9934 0.9934 1.0928 1.0928 1.2858 1.2858 1.6385 1.6385 1.8201 1.8201 2.3713 2.3713 2.4693 2.4693 2.5620 2.5620 2.6890 2.6890 3.0889 3.0889 3.6677 3.6677 k = 0.4479 0.3789-0.0000 ( 12379 PWs) bands (ev): -27.7594 -27.7594 -27.7438 -27.7438 -14.6193 -14.6193 -12.8129 -12.8129 -12.7827 -12.7827 -12.4739 -12.4739 -12.4119 -12.4119 -11.6588 -11.6588 -11.5827 -11.5827 -11.4575 -11.4575 -11.4117 -11.4117 -11.3373 -11.3373 -10.6929 -10.6929 -10.4756 -10.4756 -7.5951 -7.5951 -7.3946 -7.3946 -6.9684 -6.9684 -4.9941 -4.9941 -4.8345 -4.8345 -3.4422 -3.4422 -2.1249 -2.1249 -1.6434 -1.6434 -1.5147 -1.5147 0.0245 0.0245 0.1501 0.1501 0.5977 0.5977 0.7679 0.7679 0.9973 0.9973 1.0924 1.0924 1.2857 1.2857 1.6372 1.6372 1.8122 1.8122 2.3758 2.3758 2.4695 2.4695 2.5739 2.5739 2.6848 2.6848 3.0903 3.0903 3.6428 3.6428 k = 0.4375 0.3969-0.0000 ( 12373 PWs) bands (ev): -27.7590 -27.7590 -27.7442 -27.7442 -14.6192 -14.6192 -12.8128 -12.8128 -12.7829 -12.7829 -12.4728 -12.4728 -12.4131 -12.4131 -11.6570 -11.6570 -11.5837 -11.5837 -11.4597 -11.4597 -11.4102 -11.4102 -11.3372 -11.3372 -10.6928 -10.6928 -10.4764 -10.4764 -7.5949 -7.5949 -7.3945 -7.3945 -6.9682 -6.9682 -4.9900 -4.9900 -4.8406 -4.8406 -3.4398 -3.4398 -2.1203 -2.1203 -1.6401 -1.6401 -1.5180 -1.5180 0.0278 0.0278 0.1457 0.1457 0.5976 0.5976 0.7667 0.7667 1.0019 1.0019 1.0919 1.0919 1.2855 1.2855 1.6357 1.6357 1.8034 1.8034 2.3812 2.3812 2.4701 2.4701 2.5855 2.5855 2.6828 2.6828 3.0921 3.0921 3.6129 3.6129 k = 0.4271 0.4150-0.0000 ( 12373 PWs) bands (ev): -27.7585 -27.7585 -27.7447 -27.7447 -14.6190 -14.6190 -12.8128 -12.8128 -12.7831 -12.7831 -12.4715 -12.4715 -12.4145 -12.4145 -11.6549 -11.6549 -11.5850 -11.5850 -11.4618 -11.4618 -11.4087 -11.4087 -11.3370 -11.3370 -10.6927 -10.6927 -10.4772 -10.4772 -7.5947 -7.5947 -7.3944 -7.3944 -6.9681 -6.9681 -4.9853 -4.9853 -4.8475 -4.8475 -3.4371 -3.4371 -2.1155 -2.1155 -1.6361 -1.6361 -1.5219 -1.5219 0.0316 0.0316 0.1408 0.1408 0.5974 0.5974 0.7655 0.7655 1.0069 1.0069 1.0912 1.0912 1.2851 1.2851 1.6340 1.6340 1.7940 1.7940 2.3874 2.3874 2.4710 2.4710 2.5936 2.5936 2.6860 2.6860 3.0942 3.0942 3.5781 3.5781 k = 0.4167 0.4330-0.0000 ( 12385 PWs) bands (ev): -27.7580 -27.7580 -27.7452 -27.7452 -14.6188 -14.6188 -12.8127 -12.8127 -12.7833 -12.7833 -12.4701 -12.4701 -12.4161 -12.4161 -11.6525 -11.6525 -11.5865 -11.5865 -11.4639 -11.4639 -11.4073 -11.4073 -11.3369 -11.3369 -10.6927 -10.6927 -10.4781 -10.4781 -7.5944 -7.5944 -7.3944 -7.3944 -6.9679 -6.9679 -4.9800 -4.9800 -4.8550 -4.8550 -3.4342 -3.4342 -2.1105 -2.1105 -1.6315 -1.6315 -1.5263 -1.5263 0.0358 0.0358 0.1353 0.1353 0.5972 0.5972 0.7643 0.7643 1.0121 1.0121 1.0903 1.0903 1.2844 1.2844 1.6322 1.6322 1.7846 1.7846 2.3943 2.3943 2.4723 2.4723 2.5951 2.5951 2.6980 2.6980 3.0967 3.0967 3.5388 3.5388 k = 0.4062 0.4511-0.0000 ( 12381 PWs) bands (ev): -27.7574 -27.7574 -27.7458 -27.7458 -14.6187 -14.6187 -12.8126 -12.8126 -12.7835 -12.7835 -12.4686 -12.4686 -12.4178 -12.4178 -11.6499 -11.6499 -11.5883 -11.5883 -11.4659 -11.4659 -11.4060 -11.4060 -11.3368 -11.3368 -10.6926 -10.6926 -10.4790 -10.4790 -7.5942 -7.5942 -7.3943 -7.3943 -6.9677 -6.9677 -4.9742 -4.9742 -4.8631 -4.8631 -3.4313 -3.4313 -2.1056 -2.1056 -1.6262 -1.6262 -1.5311 -1.5311 0.0406 0.0406 0.1295 0.1295 0.5970 0.5970 0.7632 0.7632 1.0176 1.0176 1.0892 1.0892 1.2836 1.2836 1.6303 1.6303 1.7755 1.7755 2.4017 2.4017 2.4740 2.4740 2.5898 2.5898 2.7190 2.7190 3.0993 3.0993 3.4954 3.4954 k = 0.3958 0.4691-0.0000 ( 12387 PWs) bands (ev): -27.7567 -27.7567 -27.7465 -27.7465 -14.6185 -14.6185 -12.8125 -12.8125 -12.7837 -12.7837 -12.4669 -12.4669 -12.4196 -12.4196 -11.6471 -11.6471 -11.5903 -11.5903 -11.4677 -11.4677 -11.4049 -11.4049 -11.3366 -11.3366 -10.6926 -10.6926 -10.4799 -10.4799 -7.5940 -7.5940 -7.3942 -7.3942 -6.9676 -6.9676 -4.9681 -4.9681 -4.8716 -4.8716 -3.4283 -3.4283 -2.1010 -2.1010 -1.6204 -1.6204 -1.5364 -1.5364 0.0457 0.0457 0.1232 0.1232 0.5967 0.5967 0.7621 0.7621 1.0231 1.0231 1.0877 1.0877 1.2825 1.2825 1.6285 1.6285 1.7671 1.7671 2.4097 2.4097 2.4762 2.4762 2.5799 2.5799 2.7471 2.7471 3.1019 3.1019 3.4486 3.4486 k = 0.3854 0.4871-0.0000 ( 12399 PWs) bands (ev): -27.7560 -27.7560 -27.7472 -27.7472 -14.6183 -14.6183 -12.8125 -12.8125 -12.7839 -12.7839 -12.4652 -12.4652 -12.4215 -12.4215 -11.6442 -11.6442 -11.5925 -11.5925 -11.4692 -11.4692 -11.4039 -11.4039 -11.3365 -11.3365 -10.6926 -10.6926 -10.4807 -10.4807 -7.5937 -7.5937 -7.3941 -7.3941 -6.9674 -6.9674 -4.9615 -4.9615 -4.8802 -4.8802 -3.4254 -3.4254 -2.0969 -2.0969 -1.6140 -1.6140 -1.5420 -1.5420 0.0512 0.0512 0.1167 0.1167 0.5964 0.5964 0.7612 0.7612 1.0285 1.0285 1.0860 1.0860 1.2813 1.2813 1.6269 1.6269 1.7595 1.7595 2.4179 2.4179 2.4788 2.4788 2.5673 2.5673 2.7806 2.7806 3.1038 3.1038 3.3992 3.3992 k = 0.3750 0.5052-0.0000 ( 12389 PWs) bands (ev): -27.7552 -27.7552 -27.7480 -27.7480 -14.6182 -14.6182 -12.8124 -12.8124 -12.7840 -12.7840 -12.4635 -12.4635 -12.4233 -12.4233 -11.6412 -11.6412 -11.5949 -11.5949 -11.4705 -11.4705 -11.4030 -11.4030 -11.3364 -11.3364 -10.6926 -10.6926 -10.4814 -10.4814 -7.5935 -7.5935 -7.3940 -7.3940 -6.9673 -6.9673 -4.9548 -4.9548 -4.8889 -4.8889 -3.4227 -3.4227 -2.0934 -2.0934 -1.6072 -1.6072 -1.5479 -1.5479 0.0570 0.0570 0.1102 0.1102 0.5961 0.5961 0.7604 0.7604 1.0337 1.0337 1.0839 1.0839 1.2799 1.2799 1.6257 1.6257 1.7531 1.7531 2.4262 2.4262 2.4819 2.4819 2.5535 2.5535 2.8185 2.8185 3.1039 3.1039 3.3492 3.3492 k = 0.3646 0.5232-0.0000 ( 12395 PWs) bands (ev): -27.7544 -27.7544 -27.7488 -27.7488 -14.6180 -14.6180 -12.8124 -12.8124 -12.7842 -12.7842 -12.4620 -12.4620 -12.4250 -12.4250 -11.6384 -11.6384 -11.5973 -11.5973 -11.4716 -11.4716 -11.4024 -11.4024 -11.3363 -11.3363 -10.6926 -10.6926 -10.4820 -10.4820 -7.5934 -7.5934 -7.3940 -7.3940 -6.9672 -6.9672 -4.9479 -4.9479 -4.8973 -4.8973 -3.4204 -3.4204 -2.0905 -2.0905 -1.6002 -1.6002 -1.5540 -1.5540 0.0629 0.0629 0.1036 0.1036 0.5958 0.5958 0.7597 0.7597 1.0385 1.0385 1.0815 1.0815 1.2786 1.2786 1.6249 1.6249 1.7479 1.7479 2.4342 2.4342 2.4854 2.4854 2.5394 2.5394 2.8603 2.8603 3.0992 3.0992 3.3020 3.3020 k = 0.3542 0.5413-0.0000 ( 12393 PWs) bands (ev): -27.7535 -27.7535 -27.7497 -27.7497 -14.6179 -14.6179 -12.8124 -12.8124 -12.7843 -12.7843 -12.4606 -12.4606 -12.4264 -12.4264 -11.6358 -11.6358 -11.5995 -11.5995 -11.4723 -11.4723 -11.4019 -11.4019 -11.3362 -11.3362 -10.6926 -10.6926 -10.4824 -10.4824 -7.5932 -7.5932 -7.3939 -7.3939 -6.9671 -6.9671 -4.9413 -4.9413 -4.9052 -4.9052 -3.4186 -3.4186 -2.0885 -2.0885 -1.5933 -1.5933 -1.5602 -1.5602 0.0688 0.0688 0.0972 0.0972 0.5955 0.5955 0.7593 0.7593 1.0427 1.0427 1.0791 1.0791 1.2775 1.2775 1.6245 1.6245 1.7440 1.7440 2.4415 2.4415 2.4891 2.4891 2.5264 2.5264 2.9056 2.9056 3.0845 3.0845 3.2635 3.2635 k = 0.3438 0.5593-0.0000 ( 12403 PWs) bands (ev): -27.7526 -27.7526 -27.7506 -27.7506 -14.6179 -14.6179 -12.8124 -12.8124 -12.7843 -12.7843 -12.4597 -12.4597 -12.4274 -12.4274 -11.6340 -11.6340 -11.6012 -11.6012 -11.4727 -11.4727 -11.4016 -11.4016 -11.3361 -11.3361 -10.6926 -10.6926 -10.4827 -10.4827 -7.5932 -7.5932 -7.3939 -7.3939 -6.9670 -6.9670 -4.9355 -4.9355 -4.9118 -4.9118 -3.4174 -3.4174 -2.0872 -2.0872 -1.5871 -1.5871 -1.5658 -1.5658 0.0742 0.0742 0.0915 0.0915 0.5953 0.5953 0.7590 0.7590 1.0458 1.0458 1.0771 1.0771 1.2767 1.2767 1.6244 1.6244 1.7416 1.7416 2.4470 2.4470 2.4921 2.4921 2.5163 2.5163 2.9542 2.9542 3.0535 3.0535 3.2407 3.2407 k = 0.3333 0.5774-0.0000 ( 12405 PWs) bands (ev): -27.7516 -27.7516 -27.7516 -27.7516 -14.6178 -14.6178 -12.8124 -12.8124 -12.7843 -12.7843 -12.4594 -12.4594 -12.4278 -12.4278 -11.6332 -11.6332 -11.6018 -11.6018 -11.4728 -11.4728 -11.4015 -11.4015 -11.3361 -11.3361 -10.6926 -10.6926 -10.4828 -10.4828 -7.5931 -7.5931 -7.3939 -7.3939 -6.9670 -6.9670 -4.9328 -4.9328 -4.9148 -4.9148 -3.4170 -3.4170 -2.0868 -2.0868 -1.5841 -1.5841 -1.5685 -1.5685 0.0770 0.0770 0.0886 0.0886 0.5952 0.5952 0.7589 0.7589 1.0469 1.0469 1.0762 1.0762 1.2764 1.2764 1.6244 1.6244 1.7407 1.7407 2.4493 2.4493 2.4931 2.4931 2.5125 2.5125 3.0023 3.0023 3.0102 3.0102 3.2341 3.2341 k = 0.3333 0.5774-0.0000 ( 12405 PWs) bands (ev): -27.7516 -27.7516 -27.7516 -27.7516 -14.6178 -14.6178 -12.8124 -12.8124 -12.7843 -12.7843 -12.4594 -12.4594 -12.4278 -12.4278 -11.6332 -11.6332 -11.6018 -11.6018 -11.4728 -11.4728 -11.4015 -11.4015 -11.3361 -11.3361 -10.6926 -10.6926 -10.4828 -10.4828 -7.5931 -7.5931 -7.3939 -7.3939 -6.9670 -6.9670 -4.9328 -4.9328 -4.9148 -4.9148 -3.4170 -3.4170 -2.0868 -2.0868 -1.5841 -1.5841 -1.5685 -1.5685 0.0770 0.0770 0.0886 0.0886 0.5952 0.5952 0.7589 0.7589 1.0469 1.0469 1.0762 1.0762 1.2764 1.2764 1.6244 1.6244 1.7407 1.7407 2.4493 2.4493 2.4931 2.4931 2.5125 2.5125 3.0023 3.0023 3.0102 3.0102 3.2341 3.2341 k = 0.3229 0.5593-0.0000 ( 12401 PWs) bands (ev): -27.7526 -27.7526 -27.7506 -27.7506 -14.6179 -14.6179 -12.8124 -12.8124 -12.7843 -12.7843 -12.4597 -12.4597 -12.4274 -12.4274 -11.6340 -11.6340 -11.6011 -11.6011 -11.4727 -11.4727 -11.4016 -11.4016 -11.3361 -11.3361 -10.6926 -10.6926 -10.4827 -10.4827 -7.5932 -7.5932 -7.3939 -7.3939 -6.9670 -6.9670 -4.9353 -4.9353 -4.9120 -4.9120 -3.4175 -3.4175 -2.0872 -2.0872 -1.5871 -1.5871 -1.5658 -1.5658 0.0744 0.0744 0.0914 0.0914 0.5953 0.5953 0.7590 0.7590 1.0457 1.0457 1.0772 1.0772 1.2767 1.2767 1.6243 1.6243 1.7416 1.7416 2.4468 2.4468 2.4935 2.4935 2.5151 2.5151 2.9486 2.9486 3.0612 3.0612 3.2389 3.2389 k = 0.3125 0.5413-0.0000 ( 12389 PWs) bands (ev): -27.7537 -27.7537 -27.7496 -27.7496 -14.6179 -14.6179 -12.8124 -12.8124 -12.7843 -12.7843 -12.4608 -12.4608 -12.4262 -12.4262 -11.6363 -11.6363 -11.5990 -11.5990 -11.4723 -11.4723 -11.4019 -11.4019 -11.3362 -11.3362 -10.6926 -10.6926 -10.4824 -10.4824 -7.5933 -7.5933 -7.3939 -7.3939 -6.9671 -6.9671 -4.9401 -4.9401 -4.9062 -4.9062 -3.4189 -3.4189 -2.0884 -2.0884 -1.5932 -1.5932 -1.5606 -1.5606 0.0695 0.0695 0.0965 0.0965 0.5957 0.5957 0.7592 0.7592 1.0420 1.0420 1.0799 1.0799 1.2778 1.2778 1.6237 1.6237 1.7443 1.7443 2.4402 2.4402 2.4963 2.4963 2.5206 2.5206 2.8860 2.8860 3.1189 3.1189 3.2507 3.2507 k = 0.3021 0.5232-0.0000 ( 12405 PWs) bands (ev): -27.7547 -27.7547 -27.7485 -27.7485 -14.6181 -14.6181 -12.8124 -12.8124 -12.7842 -12.7842 -12.4626 -12.4626 -12.4243 -12.4243 -11.6398 -11.6398 -11.5958 -11.5958 -11.4717 -11.4717 -11.4023 -11.4023 -11.3363 -11.3363 -10.6925 -10.6925 -10.4819 -10.4819 -7.5934 -7.5934 -7.3940 -7.3940 -6.9672 -6.9672 -4.9451 -4.9451 -4.8996 -4.8996 -3.4216 -3.4216 -2.0903 -2.0903 -1.6004 -1.6004 -1.5552 -1.5552 0.0644 0.0644 0.1020 0.1020 0.5966 0.5966 0.7595 0.7595 1.0368 1.0368 1.0839 1.0839 1.2798 1.2798 1.6224 1.6224 1.7489 1.7489 2.4319 2.4319 2.5008 2.5008 2.5270 2.5270 2.8214 2.8214 3.1793 3.1793 3.2673 3.2673 k = 0.2917 0.5052-0.0000 ( 12395 PWs) bands (ev): -27.7558 -27.7558 -27.7474 -27.7474 -14.6183 -14.6183 -12.8124 -12.8124 -12.7841 -12.7841 -12.4650 -12.4650 -12.4218 -12.4218 -11.6442 -11.6442 -11.5918 -11.5918 -11.4709 -11.4709 -11.4029 -11.4029 -11.3364 -11.3364 -10.6923 -10.6923 -10.4812 -10.4812 -7.5937 -7.5937 -7.3941 -7.3941 -6.9674 -6.9674 -4.9496 -4.9496 -4.8929 -4.8929 -3.4254 -3.4254 -2.0928 -2.0928 -1.6079 -1.6079 -1.5504 -1.5504 0.0596 0.0596 0.1073 0.1073 0.5980 0.5980 0.7598 0.7598 1.0305 1.0305 1.0884 1.0884 1.2827 1.2827 1.6201 1.6201 1.7552 1.7552 2.4238 2.4238 2.5055 2.5055 2.5331 2.5331 2.7576 2.7576 3.2423 3.2423 3.2878 3.2878 k = 0.2812 0.4871-0.0000 ( 12383 PWs) bands (ev): -27.7569 -27.7569 -27.7463 -27.7463 -14.6185 -14.6185 -12.8123 -12.8123 -12.7839 -12.7839 -12.4677 -12.4677 -12.4188 -12.4188 -11.6492 -11.6492 -11.5872 -11.5872 -11.4700 -11.4700 -11.4037 -11.4037 -11.3366 -11.3366 -10.6921 -10.6921 -10.4802 -10.4802 -7.5940 -7.5940 -7.3942 -7.3942 -6.9676 -6.9676 -4.9533 -4.9533 -4.8863 -4.8863 -3.4305 -3.4305 -2.0959 -2.0959 -1.6156 -1.6156 -1.5465 -1.5465 0.0553 0.0553 0.1122 0.1122 0.6002 0.6002 0.7601 0.7601 1.0235 1.0235 1.0933 1.0933 1.2867 1.2867 1.6168 1.6168 1.7632 1.7632 2.4168 2.4168 2.5080 2.5080 2.5382 2.5382 2.6979 2.6979 3.3074 3.3074 3.3120 3.3120 k = 0.2708 0.4691-0.0000 ( 12399 PWs) bands (ev): -27.7581 -27.7581 -27.7451 -27.7451 -14.6189 -14.6189 -12.8123 -12.8123 -12.7837 -12.7837 -12.4707 -12.4707 -12.4154 -12.4154 -11.6545 -11.6545 -11.5824 -11.5824 -11.4689 -11.4689 -11.4046 -11.4046 -11.3368 -11.3368 -10.6918 -10.6918 -10.4791 -10.4791 -7.5943 -7.5943 -7.3943 -7.3943 -6.9679 -6.9679 -4.9560 -4.9560 -4.8799 -4.8799 -3.4370 -3.4370 -2.0996 -2.0996 -1.6234 -1.6234 -1.5435 -1.5435 0.0516 0.0516 0.1167 0.1167 0.6031 0.6031 0.7602 0.7602 1.0160 1.0160 1.0982 1.0982 1.2919 1.2919 1.6123 1.6123 1.7727 1.7727 2.4114 2.4114 2.5024 2.5024 2.5423 2.5423 2.6488 2.6488 3.3382 3.3382 3.3758 3.3758 k = 0.2604 0.4511-0.0000 ( 12401 PWs) bands (ev): -27.7592 -27.7592 -27.7440 -27.7440 -14.6193 -14.6193 -12.8122 -12.8122 -12.7835 -12.7835 -12.4740 -12.4740 -12.4118 -12.4118 -11.6602 -11.6602 -11.5772 -11.5772 -11.4677 -11.4677 -11.4056 -11.4056 -11.3371 -11.3371 -10.6913 -10.6913 -10.4778 -10.4778 -7.5948 -7.5948 -7.3945 -7.3945 -6.9683 -6.9683 -4.9578 -4.9578 -4.8737 -4.8737 -3.4448 -3.4448 -2.1037 -2.1037 -1.6313 -1.6313 -1.5416 -1.5416 0.0484 0.0484 0.1207 0.1207 0.6070 0.6070 0.7601 0.7601 1.0082 1.0082 1.1029 1.1029 1.2984 1.2984 1.6067 1.6067 1.7832 1.7832 2.4079 2.4079 2.4781 2.4781 2.5473 2.5473 2.6194 2.6194 3.3680 3.3680 3.4458 3.4458 k = 0.2500 0.4330-0.0000 ( 12405 PWs) bands (ev): -27.7603 -27.7603 -27.7429 -27.7429 -14.6197 -14.6197 -12.8121 -12.8121 -12.7833 -12.7833 -12.4773 -12.4773 -12.4079 -12.4079 -11.6661 -11.6661 -11.5719 -11.5719 -11.4664 -11.4664 -11.4068 -11.4068 -11.3374 -11.3374 -10.6908 -10.6908 -10.4763 -10.4763 -7.5953 -7.5953 -7.3947 -7.3947 -6.9687 -6.9687 -4.9585 -4.9585 -4.8679 -4.8679 -3.4540 -3.4540 -2.1084 -2.1084 -1.6393 -1.6393 -1.5409 -1.5409 0.0458 0.0458 0.1241 0.1241 0.6119 0.6119 0.7597 0.7597 1.0000 1.0000 1.1074 1.1074 1.3064 1.3064 1.6000 1.6000 1.7946 1.7946 2.4056 2.4056 2.4355 2.4355 2.5544 2.5544 2.6095 2.6095 3.4005 3.4005 3.5178 3.5178 k = 0.2396 0.4150-0.0000 ( 12397 PWs) bands (ev): -27.7615 -27.7615 -27.7417 -27.7417 -14.6202 -14.6202 -12.8120 -12.8120 -12.7831 -12.7831 -12.4808 -12.4808 -12.4039 -12.4039 -11.6721 -11.6721 -11.5665 -11.5665 -11.4651 -11.4651 -11.4080 -11.4080 -11.3377 -11.3377 -10.6902 -10.6902 -10.4747 -10.4747 -7.5959 -7.5959 -7.3949 -7.3949 -6.9692 -6.9692 -4.9582 -4.9582 -4.8624 -4.8624 -3.4645 -3.4645 -2.1135 -2.1135 -1.6473 -1.6473 -1.5412 -1.5412 0.0439 0.0439 0.1269 0.1269 0.6180 0.6180 0.7588 0.7588 0.9916 0.9916 1.1115 1.1115 1.3159 1.3159 1.5922 1.5922 1.8066 1.8066 2.3786 2.3786 2.4111 2.4111 2.5630 2.5630 2.6096 2.6096 3.4358 3.4358 3.5916 3.5916 k = 0.2292 0.3969-0.0000 ( 12391 PWs) bands (ev): -27.7626 -27.7626 -27.7406 -27.7406 -14.6208 -14.6208 -12.8118 -12.8118 -12.7829 -12.7829 -12.4843 -12.4843 -12.3998 -12.3998 -11.6781 -11.6781 -11.5610 -11.5610 -11.4638 -11.4638 -11.4093 -11.4093 -11.3381 -11.3381 -10.6894 -10.6894 -10.4729 -10.4729 -7.5966 -7.5966 -7.3952 -7.3952 -6.9697 -6.9697 -4.9568 -4.9568 -4.8573 -4.8573 -3.4762 -3.4762 -2.1190 -2.1190 -1.6553 -1.6553 -1.5427 -1.5427 0.0427 0.0427 0.1291 0.1291 0.6252 0.6252 0.7575 0.7575 0.9829 0.9829 1.1151 1.1151 1.3271 1.3271 1.5833 1.5833 1.8187 1.8187 2.3253 2.3253 2.4134 2.4134 2.5724 2.5724 2.6137 2.6137 3.4738 3.4738 3.6669 3.6669 k = 0.2188 0.3789-0.0000 ( 12397 PWs) bands (ev): -27.7637 -27.7637 -27.7394 -27.7394 -14.6215 -14.6215 -12.8116 -12.8116 -12.7827 -12.7827 -12.4878 -12.4878 -12.3956 -12.3956 -11.6842 -11.6842 -11.5555 -11.5555 -11.4625 -11.4625 -11.4107 -11.4107 -11.3385 -11.3385 -10.6886 -10.6886 -10.4710 -10.4710 -7.5973 -7.5973 -7.3955 -7.3955 -6.9703 -6.9703 -4.9543 -4.9543 -4.8526 -4.8526 -3.4891 -3.4891 -2.1250 -2.1250 -1.6633 -1.6633 -1.5451 -1.5451 0.0422 0.0422 0.1307 0.1307 0.6336 0.6336 0.7557 0.7557 0.9737 0.9737 1.1181 1.1181 1.3398 1.3398 1.5734 1.5734 1.8307 1.8307 2.2722 2.2722 2.4190 2.4190 2.5824 2.5824 2.6196 2.6196 3.5145 3.5145 3.7437 3.7437 k = 0.2083 0.3608-0.0000 ( 12377 PWs) bands (ev): -27.7648 -27.7648 -27.7383 -27.7383 -14.6222 -14.6222 -12.8114 -12.8114 -12.7824 -12.7824 -12.4913 -12.4913 -12.3913 -12.3913 -11.6903 -11.6903 -11.5500 -11.5500 -11.4612 -11.4612 -11.4121 -11.4121 -11.3390 -11.3390 -10.6876 -10.6876 -10.4689 -10.4689 -7.5981 -7.5981 -7.3958 -7.3958 -6.9710 -6.9710 -4.9508 -4.9508 -4.8484 -4.8484 -3.5030 -3.5030 -2.1315 -2.1315 -1.6714 -1.6714 -1.5484 -1.5484 0.0424 0.0424 0.1317 0.1317 0.6431 0.6431 0.7535 0.7535 0.9639 0.9639 1.1207 1.1207 1.3542 1.3542 1.5624 1.5624 1.8423 1.8423 2.2218 2.2218 2.4269 2.4269 2.5925 2.5925 2.6265 2.6265 3.5578 3.5578 3.8216 3.8216 k = 0.1979 0.3428-0.0000 ( 12383 PWs) bands (ev): -27.7659 -27.7659 -27.7372 -27.7372 -14.6229 -14.6229 -12.8111 -12.8111 -12.7822 -12.7822 -12.4948 -12.4948 -12.3870 -12.3870 -11.6963 -11.6963 -11.5445 -11.5445 -11.4600 -11.4600 -11.4135 -11.4135 -11.3395 -11.3395 -10.6865 -10.6865 -10.4667 -10.4667 -7.5989 -7.5989 -7.3961 -7.3961 -6.9716 -6.9716 -4.9464 -4.9464 -4.8445 -4.8445 -3.5178 -3.5178 -2.1384 -2.1384 -1.6794 -1.6794 -1.5524 -1.5524 0.0433 0.0433 0.1322 0.1322 0.6535 0.6535 0.7510 0.7510 0.9536 0.9536 1.1227 1.1227 1.3700 1.3700 1.5503 1.5503 1.8530 1.8530 2.1753 2.1753 2.4368 2.4368 2.6025 2.6025 2.6342 2.6342 3.6035 3.6035 3.9004 3.9004 k = 0.1875 0.3248-0.0000 ( 12381 PWs) bands (ev): -27.7670 -27.7670 -27.7362 -27.7362 -14.6237 -14.6237 -12.8108 -12.8108 -12.7820 -12.7820 -12.4982 -12.4982 -12.3828 -12.3828 -11.7023 -11.7023 -11.5390 -11.5390 -11.4588 -11.4588 -11.4150 -11.4150 -11.3400 -11.3400 -10.6853 -10.6853 -10.4645 -10.4645 -7.5998 -7.5998 -7.3964 -7.3964 -6.9724 -6.9724 -4.9411 -4.9411 -4.8410 -4.8410 -3.5333 -3.5333 -2.1459 -2.1459 -1.6874 -1.6874 -1.5571 -1.5571 0.0448 0.0448 0.1322 0.1322 0.6647 0.6647 0.7485 0.7485 0.9424 0.9424 1.1244 1.1244 1.3871 1.3871 1.5372 1.5372 1.8623 1.8623 2.1336 2.1336 2.4485 2.4485 2.6118 2.6118 2.6429 2.6429 3.6516 3.6516 3.9798 3.9798 k = 0.1771 0.3067-0.0000 ( 12391 PWs) bands (ev): -27.7680 -27.7680 -27.7351 -27.7351 -14.6245 -14.6245 -12.8105 -12.8105 -12.7817 -12.7817 -12.5015 -12.5015 -12.3785 -12.3785 -11.7081 -11.7081 -11.5336 -11.5336 -11.4578 -11.4578 -11.4164 -11.4164 -11.3405 -11.3405 -10.6841 -10.6841 -10.4621 -10.4621 -7.6007 -7.6007 -7.3967 -7.3967 -6.9731 -6.9731 -4.9349 -4.9349 -4.8380 -4.8380 -3.5494 -3.5494 -2.1538 -2.1538 -1.6954 -1.6954 -1.5621 -1.5621 0.0469 0.0469 0.1317 0.1317 0.6762 0.6762 0.7463 0.7463 0.9305 0.9305 1.1257 1.1257 1.4050 1.4050 1.5232 1.5232 1.8696 1.8696 2.0977 2.0977 2.4617 2.4617 2.6200 2.6200 2.6528 2.6528 3.7020 3.7020 4.0595 4.0595 k = 0.1667 0.2887-0.0000 ( 12367 PWs) bands (ev): -27.7690 -27.7690 -27.7341 -27.7341 -14.6254 -14.6254 -12.8102 -12.8102 -12.7815 -12.7815 -12.5047 -12.5047 -12.3744 -12.3744 -11.7138 -11.7138 -11.5283 -11.5283 -11.4568 -11.4568 -11.4178 -11.4178 -11.3411 -11.3411 -10.6828 -10.6828 -10.4598 -10.4598 -7.6016 -7.6016 -7.3971 -7.3971 -6.9739 -6.9739 -4.9280 -4.9280 -4.8353 -4.8353 -3.5658 -3.5658 -2.1623 -2.1623 -1.7034 -1.7034 -1.5673 -1.5673 0.0497 0.0497 0.1308 0.1308 0.6870 0.6870 0.7453 0.7453 0.9176 0.9176 1.1267 1.1267 1.4234 1.4234 1.5084 1.5084 1.8740 1.8740 2.0686 2.0686 2.4760 2.4760 2.6270 2.6270 2.6640 2.6640 3.7543 3.7543 4.1390 4.1390 k = 0.1562 0.2706-0.0000 ( 12369 PWs) bands (ev): -27.7700 -27.7700 -27.7331 -27.7331 -14.6262 -14.6262 -12.8099 -12.8099 -12.7813 -12.7813 -12.5078 -12.5078 -12.3703 -12.3703 -11.7194 -11.7194 -11.5231 -11.5231 -11.4560 -11.4560 -11.4192 -11.4192 -11.3417 -11.3417 -10.6814 -10.6814 -10.4573 -10.4573 -7.6026 -7.6026 -7.3975 -7.3975 -6.9747 -6.9747 -4.9205 -4.9205 -4.8330 -4.8330 -3.5824 -3.5824 -2.1712 -2.1712 -1.7113 -1.7113 -1.5726 -1.5726 0.0530 0.0530 0.1297 0.1297 0.6957 0.6957 0.7471 0.7471 0.9040 0.9040 1.1275 1.1275 1.4418 1.4418 1.4932 1.4932 1.8747 1.8747 2.0472 2.0472 2.4912 2.4912 2.6328 2.6328 2.6763 2.6763 3.8086 3.8086 4.2179 4.2179 k = 0.1458 0.2526-0.0000 ( 12343 PWs) bands (ev): -27.7709 -27.7709 -27.7322 -27.7322 -14.6271 -14.6271 -12.8096 -12.8096 -12.7810 -12.7810 -12.5108 -12.5108 -12.3663 -12.3663 -11.7247 -11.7247 -11.5180 -11.5180 -11.4554 -11.4554 -11.4206 -11.4206 -11.3423 -11.3423 -10.6800 -10.6800 -10.4549 -10.4549 -7.6035 -7.6035 -7.3978 -7.3978 -6.9755 -6.9755 -4.9125 -4.9125 -4.8311 -4.8311 -3.5990 -3.5990 -2.1805 -2.1805 -1.7191 -1.7191 -1.5778 -1.5778 0.0568 0.0568 0.1283 0.1283 0.7005 0.7005 0.7532 0.7532 0.8896 0.8896 1.1281 1.1281 1.4576 1.4576 1.4796 1.4796 1.8715 1.8715 2.0340 2.0340 2.5069 2.5069 2.6377 2.6377 2.6893 2.6893 3.8644 3.8644 4.2956 4.2956 k = 0.1354 0.2345-0.0000 ( 12339 PWs) bands (ev): -27.7718 -27.7718 -27.7313 -27.7313 -14.6279 -14.6279 -12.8092 -12.8092 -12.7808 -12.7808 -12.5136 -12.5136 -12.3625 -12.3625 -11.7298 -11.7298 -11.5131 -11.5131 -11.4548 -11.4548 -11.4218 -11.4218 -11.3429 -11.3429 -10.6786 -10.6786 -10.4524 -10.4524 -7.6045 -7.6045 -7.3982 -7.3982 -6.9763 -6.9763 -4.9041 -4.9041 -4.8296 -4.8296 -3.6153 -3.6153 -2.1903 -2.1903 -1.7268 -1.7268 -1.5828 -1.5828 0.0611 0.0611 0.1267 0.1267 0.7012 0.7012 0.7638 0.7638 0.8748 0.8748 1.1284 1.1284 1.4550 1.4550 1.4833 1.4833 1.8652 1.8652 2.0280 2.0280 2.5227 2.5227 2.6418 2.6418 2.7028 2.7028 3.9214 3.9214 4.3712 4.3712 k = 0.1250 0.2165-0.0000 ( 12355 PWs) bands (ev): -27.7726 -27.7726 -27.7305 -27.7305 -14.6288 -14.6288 -12.8089 -12.8089 -12.7806 -12.7806 -12.5163 -12.5163 -12.3588 -12.3588 -11.7346 -11.7346 -11.5083 -11.5083 -11.4544 -11.4544 -11.4231 -11.4231 -11.3435 -11.3435 -10.6773 -10.6773 -10.4500 -10.4500 -7.6055 -7.6055 -7.3986 -7.3986 -6.9771 -6.9771 -4.8955 -4.8955 -4.8283 -4.8283 -3.6312 -3.6312 -2.2003 -2.2003 -1.7343 -1.7343 -1.5875 -1.5875 0.0657 0.0657 0.1250 0.1250 0.6992 0.6992 0.7769 0.7769 0.8603 0.8603 1.1284 1.1284 1.4395 1.4395 1.4986 1.4986 1.8573 1.8573 2.0277 2.0277 2.5384 2.5384 2.6453 2.6453 2.7166 2.7166 3.9794 3.9794 4.4427 4.4427 k = 0.1146 0.1985-0.0000 ( 12359 PWs) bands (ev): -27.7734 -27.7734 -27.7297 -27.7297 -14.6296 -14.6296 -12.8086 -12.8086 -12.7803 -12.7803 -12.5187 -12.5187 -12.3553 -12.3553 -11.7392 -11.7392 -11.5038 -11.5038 -11.4542 -11.4542 -11.4242 -11.4242 -11.3441 -11.3441 -10.6759 -10.6759 -10.4477 -10.4477 -7.6064 -7.6064 -7.3989 -7.3989 -6.9778 -6.9778 -4.8868 -4.8868 -4.8273 -4.8273 -3.6465 -3.6465 -2.2104 -2.2104 -1.7416 -1.7416 -1.5918 -1.5918 0.0706 0.0706 0.1232 0.1232 0.6960 0.6960 0.7898 0.7898 0.8475 0.8475 1.1279 1.1279 1.4228 1.4228 1.5135 1.5135 1.8495 1.8495 2.0313 2.0313 2.5537 2.5537 2.6484 2.6484 2.7303 2.7303 4.0378 4.0378 4.5046 4.5046 k = 0.1042 0.1804-0.0000 ( 12343 PWs) bands (ev): -27.7741 -27.7741 -27.7289 -27.7289 -14.6304 -14.6304 -12.8083 -12.8083 -12.7801 -12.7801 -12.5211 -12.5211 -12.3520 -12.3520 -11.7434 -11.7434 -11.4994 -11.4994 -11.4541 -11.4541 -11.4253 -11.4253 -11.3447 -11.3447 -10.6746 -10.6746 -10.4454 -10.4454 -7.6073 -7.6073 -7.3993 -7.3993 -6.9786 -6.9786 -4.8782 -4.8782 -4.8266 -4.8266 -3.6610 -3.6610 -2.2206 -2.2206 -1.7486 -1.7486 -1.5956 -1.5956 0.0757 0.0757 0.1214 0.1214 0.6922 0.6922 0.7972 0.7972 0.8413 0.8413 1.1269 1.1269 1.4062 1.4062 1.5268 1.5268 1.8429 1.8429 2.0372 2.0372 2.5682 2.5682 2.6511 2.6511 2.7438 2.7438 4.0962 4.0962 4.5402 4.5402 k = 0.0938 0.1624-0.0000 ( 12355 PWs) bands (ev): -27.7748 -27.7748 -27.7283 -27.7283 -14.6312 -14.6312 -12.8080 -12.8080 -12.7799 -12.7799 -12.5232 -12.5232 -12.3490 -12.3490 -11.7474 -11.7474 -11.4954 -11.4954 -11.4541 -11.4541 -11.4263 -11.4263 -11.3452 -11.3452 -10.6734 -10.6734 -10.4432 -10.4432 -7.6082 -7.6082 -7.3996 -7.3996 -6.9793 -6.9793 -4.8698 -4.8698 -4.8260 -4.8260 -3.6747 -3.6747 -2.2306 -2.2306 -1.7551 -1.7551 -1.5990 -1.5990 0.0808 0.0808 0.1197 0.1197 0.6882 0.6882 0.7928 0.7928 0.8477 0.8477 1.1252 1.1252 1.3900 1.3900 1.5380 1.5380 1.8381 1.8381 2.0446 2.0446 2.5817 2.5817 2.6536 2.6536 2.7569 2.7569 4.1538 4.1538 4.5430 4.5430 k = 0.0833 0.1443-0.0000 ( 12341 PWs) bands (ev): -27.7754 -27.7754 -27.7277 -27.7277 -14.6318 -14.6318 -12.8077 -12.8077 -12.7797 -12.7797 -12.5251 -12.5251 -12.3462 -12.3462 -11.7510 -11.7510 -11.4915 -11.4915 -11.4541 -11.4541 -11.4273 -11.4273 -11.3458 -11.3458 -10.6723 -10.6723 -10.4412 -10.4412 -7.6090 -7.6090 -7.3999 -7.3999 -6.9799 -6.9799 -4.8618 -4.8618 -4.8256 -4.8256 -3.6872 -3.6872 -2.2402 -2.2402 -1.7612 -1.7612 -1.6019 -1.6019 0.0859 0.0859 0.1181 0.1181 0.6844 0.6844 0.7812 0.7812 0.8621 0.8621 1.1226 1.1226 1.3746 1.3746 1.5471 1.5471 1.8354 1.8354 2.0526 2.0526 2.5939 2.5939 2.6560 2.6560 2.7693 2.7693 4.2100 4.2100 4.5341 4.5341 k = 0.0729 0.1263-0.0000 ( 12339 PWs) bands (ev): -27.7759 -27.7759 -27.7271 -27.7271 -14.6325 -14.6325 -12.8075 -12.8075 -12.7795 -12.7795 -12.5268 -12.5268 -12.3437 -12.3437 -11.7542 -11.7542 -11.4880 -11.4880 -11.4543 -11.4543 -11.4282 -11.4282 -11.3462 -11.3462 -10.6713 -10.6713 -10.4393 -10.4393 -7.6097 -7.6097 -7.4002 -7.4002 -6.9805 -6.9805 -4.8543 -4.8543 -4.8254 -4.8254 -3.6986 -3.6986 -2.2493 -2.2493 -1.7667 -1.7667 -1.6044 -1.6044 0.0907 0.0907 0.1167 0.1167 0.6809 0.6809 0.7679 0.7679 0.8790 0.8790 1.1191 1.1191 1.3604 1.3604 1.5540 1.5540 1.8345 1.8345 2.0609 2.0609 2.6047 2.6047 2.6583 2.6583 2.7809 2.7809 4.2639 4.2639 4.5234 4.5234 k = 0.0625 0.1083-0.0000 ( 12313 PWs) bands (ev): -27.7764 -27.7764 -27.7266 -27.7266 -14.6330 -14.6330 -12.8073 -12.8073 -12.7793 -12.7793 -12.5283 -12.5283 -12.3415 -12.3415 -11.7570 -11.7570 -11.4848 -11.4848 -11.4544 -11.4544 -11.4290 -11.4290 -11.3467 -11.3467 -10.6703 -10.6703 -10.4377 -10.4377 -7.6104 -7.6104 -7.4004 -7.4004 -6.9811 -6.9811 -4.8475 -4.8475 -4.8252 -4.8252 -3.7087 -3.7087 -2.2577 -2.2577 -1.7716 -1.7716 -1.6065 -1.6065 0.0952 0.0952 0.1154 0.1154 0.6778 0.6778 0.7547 0.7547 0.8966 0.8966 1.1146 1.1146 1.3476 1.3476 1.5591 1.5591 1.8351 1.8351 2.0689 2.0689 2.6138 2.6138 2.6607 2.6607 2.7914 2.7914 4.3145 4.3145 4.5132 4.5132 k = 0.0521 0.0902-0.0000 ( 12295 PWs) bands (ev): -27.7768 -27.7768 -27.7262 -27.7262 -14.6335 -14.6335 -12.8071 -12.8071 -12.7792 -12.7792 -12.5296 -12.5296 -12.3396 -12.3396 -11.7594 -11.7594 -11.4820 -11.4820 -11.4547 -11.4547 -11.4298 -11.4298 -11.3471 -11.3471 -10.6695 -10.6695 -10.4362 -10.4362 -7.6110 -7.6110 -7.4006 -7.4006 -6.9815 -6.9815 -4.8416 -4.8416 -4.8250 -4.8250 -3.7174 -3.7174 -2.2652 -2.2652 -1.7758 -1.7758 -1.6082 -1.6082 0.0991 0.0991 0.1145 0.1145 0.6752 0.6752 0.7426 0.7426 0.9140 0.9140 1.1091 1.1091 1.3365 1.3365 1.5626 1.5626 1.8365 1.8365 2.0764 2.0764 2.6211 2.6211 2.6631 2.6631 2.8007 2.8007 4.3606 4.3606 4.5044 4.5044 k = 0.0417 0.0722-0.0000 ( 12293 PWs) bands (ev): -27.7771 -27.7771 -27.7259 -27.7259 -14.6339 -14.6339 -12.8070 -12.8070 -12.7790 -12.7790 -12.5306 -12.5306 -12.3380 -12.3380 -11.7614 -11.7614 -11.4796 -11.4796 -11.4549 -11.4549 -11.4305 -11.4305 -11.3474 -11.3474 -10.6689 -10.6689 -10.4350 -10.4350 -7.6115 -7.6115 -7.4008 -7.4008 -6.9819 -6.9819 -4.8367 -4.8367 -4.8248 -4.8248 -3.7246 -3.7246 -2.2716 -2.2716 -1.7794 -1.7794 -1.6095 -1.6095 0.1023 0.1023 0.1140 0.1140 0.6732 0.6732 0.7319 0.7319 0.9304 0.9304 1.1027 1.1027 1.3271 1.3271 1.5649 1.5649 1.8385 1.8385 2.0830 2.0830 2.6267 2.6267 2.6656 2.6656 2.8085 2.8085 4.4008 4.4008 4.4973 4.4973 k = 0.0312 0.0541-0.0000 ( 12285 PWs) bands (ev): -27.7774 -27.7774 -27.7256 -27.7256 -14.6343 -14.6343 -12.8069 -12.8069 -12.7789 -12.7789 -12.5314 -12.5314 -12.3367 -12.3367 -11.7630 -11.7630 -11.4777 -11.4777 -11.4551 -11.4551 -11.4310 -11.4310 -11.3476 -11.3476 -10.6683 -10.6683 -10.4340 -10.4340 -7.6119 -7.6119 -7.4010 -7.4010 -6.9822 -6.9822 -4.8331 -4.8331 -4.8244 -4.8244 -3.7303 -3.7303 -2.2767 -2.2767 -1.7821 -1.7821 -1.6105 -1.6105 0.1045 0.1045 0.1140 0.1140 0.6717 0.6717 0.7231 0.7231 0.9451 0.9451 1.0960 1.0960 1.3198 1.3198 1.5663 1.5663 1.8404 1.8404 2.0885 2.0885 2.6307 2.6307 2.6680 2.6680 2.8148 2.8148 4.4334 4.4334 4.4924 4.4924 k = 0.0208 0.0361-0.0000 ( 12281 PWs) bands (ev): -27.7776 -27.7776 -27.7255 -27.7255 -14.6345 -14.6345 -12.8068 -12.8068 -12.7788 -12.7788 -12.5320 -12.5320 -12.3358 -12.3358 -11.7641 -11.7641 -11.4763 -11.4763 -11.4552 -11.4552 -11.4315 -11.4315 -11.3478 -11.3478 -10.6680 -10.6680 -10.4333 -10.4333 -7.6121 -7.6121 -7.4011 -7.4011 -6.9825 -6.9825 -4.8307 -4.8307 -4.8238 -4.8238 -3.7344 -3.7344 -2.2805 -2.2805 -1.7841 -1.7841 -1.6112 -1.6112 0.1058 0.1058 0.1144 0.1144 0.6708 0.6708 0.7165 0.7165 0.9572 0.9572 1.0898 1.0898 1.3146 1.3146 1.5672 1.5672 1.8421 1.8421 2.0925 2.0925 2.6333 2.6333 2.6699 2.6699 2.8193 2.8193 4.4563 4.4563 4.4906 4.4906 k = 0.0104 0.0180-0.0000 ( 12261 PWs) bands (ev): -27.7777 -27.7777 -27.7253 -27.7253 -14.6346 -14.6346 -12.8067 -12.8067 -12.7788 -12.7788 -12.5324 -12.5324 -12.3353 -12.3353 -11.7648 -11.7648 -11.4754 -11.4754 -11.4553 -11.4553 -11.4317 -11.4317 -11.3479 -11.3479 -10.6677 -10.6677 -10.4328 -10.4328 -7.6123 -7.6123 -7.4011 -7.4011 -6.9826 -6.9826 -4.8296 -4.8296 -4.8231 -4.8231 -3.7369 -3.7369 -2.2828 -2.2828 -1.7853 -1.7853 -1.6116 -1.6116 0.1063 0.1063 0.1149 0.1149 0.6703 0.6703 0.7124 0.7124 0.9654 0.9654 1.0851 1.0851 1.3114 1.3114 1.5676 1.5676 1.8432 1.8432 2.0951 2.0951 2.6347 2.6347 2.6711 2.6711 2.8221 2.8221 4.4674 4.4674 4.4927 4.4927 k = 0.0000 0.0000 0.0000 ( 12251 PWs) bands (ev): -27.7777 -27.7777 -27.7253 -27.7253 -14.6347 -14.6347 -12.8067 -12.8067 -12.7788 -12.7788 -12.5325 -12.5325 -12.3351 -12.3351 -11.7650 -11.7650 -11.4751 -11.4751 -11.4554 -11.4554 -11.4318 -11.4318 -11.3480 -11.3480 -10.6676 -10.6676 -10.4327 -10.4327 -7.6124 -7.6124 -7.4011 -7.4011 -6.9826 -6.9826 -4.8292 -4.8292 -4.8229 -4.8229 -3.7377 -3.7377 -2.2835 -2.2835 -1.7858 -1.7858 -1.6117 -1.6117 0.1065 0.1065 0.1151 0.1151 0.6702 0.6702 0.7110 0.7110 0.9683 0.9683 1.0834 1.0834 1.3103 1.3103 1.5677 1.5677 1.8435 1.8435 2.0959 2.0959 2.6352 2.6352 2.6716 2.6716 2.8230 2.8230 4.4700 4.4700 4.4946 4.4946 k = 0.0000 0.0000 0.0000 ( 12251 PWs) bands (ev): -27.7777 -27.7777 -27.7253 -27.7253 -14.6347 -14.6347 -12.8067 -12.8067 -12.7788 -12.7788 -12.5325 -12.5325 -12.3351 -12.3351 -11.7650 -11.7650 -11.4751 -11.4751 -11.4554 -11.4554 -11.4318 -11.4318 -11.3480 -11.3480 -10.6676 -10.6676 -10.4327 -10.4327 -7.6124 -7.6124 -7.4011 -7.4011 -6.9826 -6.9826 -4.8292 -4.8292 -4.8229 -4.8229 -3.7377 -3.7377 -2.2835 -2.2835 -1.7858 -1.7858 -1.6117 -1.6117 0.1065 0.1065 0.1151 0.1151 0.6702 0.6702 0.7110 0.7110 0.9683 0.9683 1.0834 1.0834 1.3103 1.3103 1.5677 1.5677 1.8435 1.8435 2.0959 2.0959 2.6352 2.6352 2.6716 2.6716 2.8230 2.8230 4.4700 4.4700 4.4946 4.4946 k = 0.0000 0.0000 0.0201 ( 12251 PWs) bands (ev): -27.7777 -27.7777 -27.7253 -27.7253 -14.6347 -14.6347 -12.8067 -12.8067 -12.7788 -12.7788 -12.5325 -12.5325 -12.3351 -12.3351 -11.7650 -11.7650 -11.4751 -11.4751 -11.4553 -11.4553 -11.4318 -11.4318 -11.3480 -11.3480 -10.6676 -10.6676 -10.4327 -10.4327 -7.6124 -7.6124 -7.4011 -7.4011 -6.9826 -6.9826 -4.8292 -4.8292 -4.8229 -4.8229 -3.7376 -3.7376 -2.2836 -2.2836 -1.7857 -1.7857 -1.6117 -1.6117 0.1065 0.1065 0.1151 0.1151 0.6582 0.6582 0.7218 0.7218 0.9683 0.9683 1.0834 1.0834 1.3113 1.3113 1.5683 1.5683 1.8440 1.8440 2.0959 2.0959 2.6351 2.6351 2.6714 2.6714 2.8230 2.8230 4.4700 4.4700 4.4946 4.4946 k = 0.0000 0.0000 0.0403 ( 12281 PWs) bands (ev): -27.7777 -27.7777 -27.7253 -27.7253 -14.6347 -14.6347 -12.8067 -12.8067 -12.7788 -12.7788 -12.5325 -12.5325 -12.3351 -12.3351 -11.7650 -11.7650 -11.4751 -11.4751 -11.4553 -11.4553 -11.4318 -11.4318 -11.3480 -11.3480 -10.6677 -10.6677 -10.4327 -10.4327 -7.6124 -7.6124 -7.4011 -7.4011 -6.9826 -6.9826 -4.8293 -4.8293 -4.8229 -4.8229 -3.7374 -3.7374 -2.2836 -2.2836 -1.7857 -1.7857 -1.6117 -1.6117 0.1065 0.1065 0.1152 0.1152 0.6358 0.6358 0.7407 0.7407 0.9683 0.9683 1.0833 1.0833 1.3141 1.3141 1.5702 1.5702 1.8453 1.8453 2.0959 2.0959 2.6347 2.6347 2.6710 2.6710 2.8230 2.8230 4.4700 4.4700 4.4945 4.4945 k = 0.0000 0.0000 0.0604 ( 12275 PWs) bands (ev): -27.7777 -27.7777 -27.7253 -27.7253 -14.6347 -14.6347 -12.8067 -12.8067 -12.7788 -12.7788 -12.5325 -12.5325 -12.3351 -12.3351 -11.7650 -11.7650 -11.4751 -11.4751 -11.4552 -11.4552 -11.4318 -11.4318 -11.3481 -11.3481 -10.6677 -10.6677 -10.4327 -10.4327 -7.6124 -7.6124 -7.4011 -7.4011 -6.9826 -6.9826 -4.8293 -4.8293 -4.8229 -4.8229 -3.7371 -3.7371 -2.2837 -2.2837 -1.7857 -1.7857 -1.6116 -1.6116 0.1065 0.1065 0.1153 0.1153 0.6109 0.6109 0.7599 0.7599 0.9683 0.9683 1.0831 1.0831 1.3185 1.3185 1.5734 1.5734 1.8474 1.8474 2.0960 2.0960 2.6340 2.6340 2.6703 2.6703 2.8230 2.8230 4.4699 4.4699 4.4943 4.4943 k = 0.0000 0.0000 0.0806 ( 12263 PWs) bands (ev): -27.7777 -27.7777 -27.7253 -27.7253 -14.6347 -14.6347 -12.8067 -12.8067 -12.7788 -12.7788 -12.5325 -12.5325 -12.3351 -12.3351 -11.7650 -11.7650 -11.4751 -11.4751 -11.4550 -11.4550 -11.4318 -11.4318 -11.3483 -11.3483 -10.6677 -10.6677 -10.4327 -10.4327 -7.6124 -7.6124 -7.4011 -7.4011 -6.9826 -6.9826 -4.8293 -4.8293 -4.8229 -4.8229 -3.7367 -3.7367 -2.2838 -2.2838 -1.7857 -1.7857 -1.6115 -1.6115 0.1066 0.1066 0.1154 0.1154 0.5855 0.5855 0.7777 0.7777 0.9683 0.9683 1.0829 1.0829 1.3242 1.3242 1.5777 1.5777 1.8505 1.8505 2.0960 2.0960 2.6331 2.6331 2.6694 2.6694 2.8230 2.8230 4.4698 4.4698 4.4942 4.4942 k = 0.0000 0.0000 0.1007 ( 12269 PWs) bands (ev): -27.7777 -27.7777 -27.7253 -27.7253 -14.6347 -14.6347 -12.8067 -12.8067 -12.7788 -12.7788 -12.5325 -12.5325 -12.3351 -12.3351 -11.7650 -11.7650 -11.4751 -11.4751 -11.4549 -11.4549 -11.4318 -11.4318 -11.3484 -11.3484 -10.6677 -10.6677 -10.4327 -10.4327 -7.6124 -7.6124 -7.4011 -7.4011 -6.9826 -6.9826 -4.8293 -4.8293 -4.8229 -4.8229 -3.7362 -3.7362 -2.2839 -2.2839 -1.7857 -1.7857 -1.6114 -1.6114 0.1066 0.1066 0.1156 0.1156 0.5603 0.5603 0.7938 0.7938 0.9683 0.9683 1.0826 1.0826 1.3308 1.3308 1.5831 1.5831 1.8544 1.8544 2.0961 2.0961 2.6320 2.6320 2.6682 2.6682 2.8229 2.8229 4.4698 4.4698 4.4940 4.4940 k = 0.0000 0.0000 0.1209 ( 12274 PWs) bands (ev): -27.7777 -27.7777 -27.7253 -27.7253 -14.6347 -14.6347 -12.8067 -12.8067 -12.7788 -12.7788 -12.5325 -12.5325 -12.3351 -12.3351 -11.7650 -11.7650 -11.4751 -11.4751 -11.4547 -11.4547 -11.4318 -11.4318 -11.3486 -11.3486 -10.6677 -10.6677 -10.4327 -10.4327 -7.6124 -7.6124 -7.4011 -7.4011 -6.9826 -6.9826 -4.8293 -4.8293 -4.8229 -4.8229 -3.7356 -3.7356 -2.2840 -2.2840 -1.7856 -1.7856 -1.6113 -1.6113 0.1067 0.1067 0.1158 0.1158 0.5358 0.5358 0.8080 0.8080 0.9683 0.9683 1.0824 1.0824 1.3377 1.3377 1.5894 1.5894 1.8591 1.8591 2.0961 2.0961 2.6308 2.6308 2.6669 2.6669 2.8229 2.8229 4.4696 4.4696 4.4937 4.4937 k = 0.0000 0.0000 0.1410 ( 12304 PWs) bands (ev): -27.7777 -27.7777 -27.7253 -27.7253 -14.6347 -14.6347 -12.8067 -12.8067 -12.7788 -12.7788 -12.5325 -12.5325 -12.3351 -12.3351 -11.7650 -11.7650 -11.4752 -11.4752 -11.4545 -11.4545 -11.4318 -11.4318 -11.3488 -11.3488 -10.6678 -10.6678 -10.4327 -10.4327 -7.6124 -7.6124 -7.4011 -7.4011 -6.9826 -6.9826 -4.8293 -4.8293 -4.8229 -4.8229 -3.7349 -3.7349 -2.2841 -2.2841 -1.7856 -1.7856 -1.6112 -1.6112 0.1067 0.1067 0.1160 0.1160 0.5125 0.5125 0.8203 0.8203 0.9683 0.9683 1.0820 1.0820 1.3447 1.3447 1.5964 1.5964 1.8647 1.8647 2.0962 2.0962 2.6294 2.6294 2.6655 2.6655 2.8228 2.8228 4.4695 4.4695 4.4934 4.4934 k = 0.0000 0.0000 0.1612 ( 12346 PWs) bands (ev): -27.7777 -27.7777 -27.7253 -27.7253 -14.6347 -14.6347 -12.8067 -12.8067 -12.7788 -12.7788 -12.5325 -12.5325 -12.3350 -12.3350 -11.7650 -11.7650 -11.4752 -11.4752 -11.4543 -11.4543 -11.4318 -11.4318 -11.3490 -11.3490 -10.6678 -10.6678 -10.4327 -10.4327 -7.6124 -7.6124 -7.4011 -7.4011 -6.9826 -6.9826 -4.8293 -4.8293 -4.8229 -4.8229 -3.7343 -3.7343 -2.2843 -2.2843 -1.7855 -1.7855 -1.6111 -1.6111 0.1067 0.1067 0.1162 0.1162 0.4907 0.4907 0.8308 0.8308 0.9683 0.9683 1.0817 1.0817 1.3513 1.3513 1.6037 1.6037 1.8710 1.8710 2.0963 2.0963 2.6280 2.6280 2.6641 2.6641 2.8228 2.8228 4.4694 4.4694 4.4932 4.4932 k = 0.0000 0.0000 0.1813 ( 12352 PWs) bands (ev): -27.7777 -27.7777 -27.7253 -27.7253 -14.6347 -14.6347 -12.8067 -12.8067 -12.7788 -12.7788 -12.5325 -12.5325 -12.3350 -12.3350 -11.7650 -11.7650 -11.4752 -11.4752 -11.4540 -11.4540 -11.4318 -11.4318 -11.3492 -11.3492 -10.6678 -10.6678 -10.4327 -10.4327 -7.6124 -7.6124 -7.4011 -7.4011 -6.9826 -6.9826 -4.8293 -4.8293 -4.8229 -4.8229 -3.7336 -3.7336 -2.2844 -2.2844 -1.7855 -1.7855 -1.6110 -1.6110 0.1067 0.1067 0.1164 0.1164 0.4708 0.4708 0.8397 0.8397 0.9683 0.9683 1.0814 1.0814 1.3574 1.3574 1.6110 1.6110 1.8777 1.8777 2.0964 2.0964 2.6266 2.6266 2.6626 2.6626 2.8228 2.8228 4.4692 4.4692 4.4929 4.4929 k = 0.0000 0.0000 0.2015 ( 12370 PWs) bands (ev): -27.7777 -27.7777 -27.7253 -27.7253 -14.6347 -14.6347 -12.8067 -12.8067 -12.7788 -12.7788 -12.5325 -12.5325 -12.3350 -12.3350 -11.7650 -11.7650 -11.4752 -11.4752 -11.4538 -11.4538 -11.4318 -11.4318 -11.3494 -11.3494 -10.6678 -10.6678 -10.4327 -10.4327 -7.6123 -7.6123 -7.4011 -7.4011 -6.9826 -6.9826 -4.8293 -4.8293 -4.8229 -4.8229 -3.7329 -3.7329 -2.2846 -2.2846 -1.7855 -1.7855 -1.6109 -1.6109 0.1067 0.1067 0.1166 0.1166 0.4531 0.4531 0.8471 0.8471 0.9682 0.9682 1.0810 1.0810 1.3627 1.3627 1.6179 1.6179 1.8847 1.8847 2.0964 2.0964 2.6253 2.6253 2.6612 2.6612 2.8227 2.8227 4.4690 4.4690 4.4926 4.4926 k = 0.0000 0.0000 0.2216 ( 12370 PWs) bands (ev): -27.7777 -27.7777 -27.7253 -27.7253 -14.6347 -14.6347 -12.8067 -12.8067 -12.7788 -12.7788 -12.5325 -12.5325 -12.3350 -12.3350 -11.7651 -11.7651 -11.4752 -11.4752 -11.4536 -11.4536 -11.4318 -11.4318 -11.3496 -11.3496 -10.6679 -10.6679 -10.4327 -10.4327 -7.6123 -7.6123 -7.4011 -7.4011 -6.9826 -6.9826 -4.8293 -4.8293 -4.8229 -4.8229 -3.7323 -3.7323 -2.2847 -2.2847 -1.7854 -1.7854 -1.6108 -1.6108 0.1067 0.1067 0.1168 0.1168 0.4377 0.4377 0.8530 0.8530 0.9682 0.9682 1.0807 1.0807 1.3671 1.3671 1.6243 1.6243 1.8916 1.8916 2.0965 2.0965 2.6241 2.6241 2.6599 2.6599 2.8227 2.8227 4.4688 4.4688 4.4924 4.4924 k = 0.0000 0.0000 0.2418 ( 12358 PWs) bands (ev): -27.7777 -27.7777 -27.7253 -27.7253 -14.6347 -14.6347 -12.8067 -12.8067 -12.7788 -12.7788 -12.5325 -12.5325 -12.3350 -12.3350 -11.7651 -11.7651 -11.4753 -11.4753 -11.4535 -11.4535 -11.4318 -11.4318 -11.3498 -11.3498 -10.6679 -10.6679 -10.4327 -10.4327 -7.6123 -7.6123 -7.4011 -7.4011 -6.9826 -6.9826 -4.8293 -4.8293 -4.8230 -4.8230 -3.7318 -3.7318 -2.2848 -2.2848 -1.7854 -1.7854 -1.6107 -1.6107 0.1067 0.1067 0.1169 0.1169 0.4248 0.4248 0.8578 0.8578 0.9682 0.9682 1.0805 1.0805 1.3708 1.3708 1.6297 1.6297 1.8980 1.8980 2.0966 2.0966 2.6230 2.6230 2.6588 2.6588 2.8226 2.8226 4.4686 4.4686 4.4922 4.4922 k = 0.0000 0.0000 0.2619 ( 12346 PWs) bands (ev): -27.7777 -27.7777 -27.7253 -27.7253 -14.6347 -14.6347 -12.8067 -12.8067 -12.7788 -12.7788 -12.5325 -12.5325 -12.3350 -12.3350 -11.7651 -11.7651 -11.4753 -11.4753 -11.4533 -11.4533 -11.4318 -11.4318 -11.3499 -11.3499 -10.6679 -10.6679 -10.4327 -10.4327 -7.6123 -7.6123 -7.4011 -7.4011 -6.9826 -6.9826 -4.8293 -4.8293 -4.8230 -4.8230 -3.7314 -3.7314 -2.2849 -2.2849 -1.7853 -1.7853 -1.6106 -1.6106 0.1066 0.1066 0.1170 0.1170 0.4147 0.4147 0.8613 0.8613 0.9682 0.9682 1.0803 1.0803 1.3735 1.3735 1.6341 1.6341 1.9036 1.9036 2.0966 2.0966 2.6221 2.6221 2.6579 2.6579 2.8226 2.8226 4.4684 4.4684 4.4920 4.4920 k = 0.0000 0.0000 0.2821 ( 12352 PWs) bands (ev): -27.7777 -27.7777 -27.7253 -27.7253 -14.6347 -14.6347 -12.8067 -12.8067 -12.7788 -12.7788 -12.5325 -12.5325 -12.3350 -12.3350 -11.7651 -11.7651 -11.4753 -11.4753 -11.4532 -11.4532 -11.4318 -11.4318 -11.3500 -11.3500 -10.6679 -10.6679 -10.4327 -10.4327 -7.6123 -7.6123 -7.4011 -7.4011 -6.9826 -6.9826 -4.8294 -4.8294 -4.8230 -4.8230 -3.7311 -3.7311 -2.2850 -2.2850 -1.7853 -1.7853 -1.6105 -1.6105 0.1066 0.1066 0.1171 0.1171 0.4074 0.4074 0.8638 0.8638 0.9682 0.9682 1.0801 1.0801 1.3755 1.3755 1.6373 1.6373 1.9078 1.9078 2.0967 2.0967 2.6214 2.6214 2.6572 2.6572 2.8226 2.8226 4.4683 4.4683 4.4919 4.4919 k = 0.0000 0.0000 0.3022 ( 12364 PWs) bands (ev): -27.7777 -27.7777 -27.7253 -27.7253 -14.6347 -14.6347 -12.8067 -12.8067 -12.7788 -12.7788 -12.5325 -12.5325 -12.3350 -12.3350 -11.7651 -11.7651 -11.4753 -11.4753 -11.4532 -11.4532 -11.4318 -11.4318 -11.3501 -11.3501 -10.6679 -10.6679 -10.4327 -10.4327 -7.6123 -7.6123 -7.4011 -7.4011 -6.9826 -6.9826 -4.8294 -4.8294 -4.8230 -4.8230 -3.7309 -3.7309 -2.2850 -2.2850 -1.7853 -1.7853 -1.6105 -1.6105 0.1066 0.1066 0.1172 0.1172 0.4030 0.4030 0.8653 0.8653 0.9682 0.9682 1.0800 1.0800 1.3766 1.3766 1.6393 1.6393 1.9105 1.9105 2.0967 2.0967 2.6210 2.6210 2.6567 2.6567 2.8226 2.8226 4.4682 4.4682 4.4918 4.4918 k = 0.0000 0.0000 0.3223 ( 12376 PWs) bands (ev): -27.7777 -27.7777 -27.7253 -27.7253 -14.6347 -14.6347 -12.8067 -12.8067 -12.7788 -12.7788 -12.5325 -12.5325 -12.3350 -12.3350 -11.7651 -11.7651 -11.4753 -11.4753 -11.4531 -11.4531 -11.4318 -11.4318 -11.3501 -11.3501 -10.6679 -10.6679 -10.4327 -10.4327 -7.6123 -7.6123 -7.4011 -7.4011 -6.9826 -6.9826 -4.8294 -4.8294 -4.8230 -4.8230 -3.7308 -3.7308 -2.2850 -2.2850 -1.7853 -1.7853 -1.6105 -1.6105 0.1066 0.1066 0.1172 0.1172 0.4015 0.4015 0.8657 0.8657 0.9682 0.9682 1.0800 1.0800 1.3770 1.3770 1.6399 1.6399 1.9114 1.9114 2.0967 2.0967 2.6209 2.6209 2.6566 2.6566 2.8226 2.8226 4.4682 4.4682 4.4918 4.4918 k = 0.0000 0.0000 0.3223 ( 12376 PWs) bands (ev): -27.7777 -27.7777 -27.7253 -27.7253 -14.6347 -14.6347 -12.8067 -12.8067 -12.7788 -12.7788 -12.5325 -12.5325 -12.3350 -12.3350 -11.7651 -11.7651 -11.4753 -11.4753 -11.4531 -11.4531 -11.4318 -11.4318 -11.3501 -11.3501 -10.6679 -10.6679 -10.4327 -10.4327 -7.6123 -7.6123 -7.4011 -7.4011 -6.9826 -6.9826 -4.8294 -4.8294 -4.8230 -4.8230 -3.7308 -3.7308 -2.2850 -2.2850 -1.7853 -1.7853 -1.6105 -1.6105 0.1066 0.1066 0.1172 0.1172 0.4015 0.4015 0.8657 0.8657 0.9682 0.9682 1.0800 1.0800 1.3770 1.3770 1.6399 1.6399 1.9114 1.9114 2.0967 2.0967 2.6209 2.6209 2.6566 2.6566 2.8226 2.8226 4.4682 4.4682 4.4918 4.4918 k = 0.0185 0.0107 0.3223 ( 12372 PWs) bands (ev): -27.7777 -27.7777 -27.7253 -27.7253 -14.6347 -14.6347 -12.8068 -12.8068 -12.7788 -12.7788 -12.5324 -12.5324 -12.3351 -12.3351 -11.7648 -11.7648 -11.4756 -11.4756 -11.4531 -11.4531 -11.4317 -11.4317 -11.3501 -11.3501 -10.6680 -10.6680 -10.4329 -10.4329 -7.6123 -7.6123 -7.4011 -7.4011 -6.9826 -6.9826 -4.8297 -4.8297 -4.8233 -4.8233 -3.7300 -3.7300 -2.2842 -2.2842 -1.7849 -1.7849 -1.6104 -1.6104 0.1065 0.1065 0.1171 0.1171 0.4025 0.4025 0.8660 0.8660 0.9654 0.9654 1.0819 1.0819 1.3777 1.3777 1.6405 1.6405 1.9108 1.9108 2.0953 2.0953 2.6205 2.6205 2.6563 2.6563 2.8216 2.8216 4.4652 4.4652 4.4897 4.4897 k = 0.0370 0.0214 0.3223 ( 12366 PWs) bands (ev): -27.7776 -27.7776 -27.7255 -27.7255 -14.6345 -14.6345 -12.8068 -12.8068 -12.7789 -12.7789 -12.5320 -12.5320 -12.3357 -12.3357 -11.7641 -11.7641 -11.4765 -11.4765 -11.4530 -11.4530 -11.4314 -11.4314 -11.3499 -11.3499 -10.6682 -10.6682 -10.4333 -10.4333 -7.6121 -7.6121 -7.4011 -7.4011 -6.9825 -6.9825 -4.8309 -4.8309 -4.8239 -4.8239 -3.7274 -3.7274 -2.2818 -2.2818 -1.7836 -1.7836 -1.6099 -1.6099 0.1063 0.1063 0.1167 0.1167 0.4055 0.4055 0.8665 0.8665 0.9575 0.9575 1.0868 1.0868 1.3798 1.3798 1.6423 1.6423 1.9091 1.9091 2.0912 2.0912 2.6193 2.6193 2.6552 2.6552 2.8187 2.8187 4.4523 4.4523 4.4878 4.4878 k = 0.0556 0.0321 0.3223 ( 12382 PWs) bands (ev): -27.7774 -27.7774 -27.7257 -27.7257 -14.6343 -14.6343 -12.8069 -12.8069 -12.7789 -12.7789 -12.5314 -12.5314 -12.3367 -12.3367 -11.7629 -11.7629 -11.4780 -11.4780 -11.4529 -11.4529 -11.4310 -11.4310 -11.3497 -11.3497 -10.6686 -10.6686 -10.4341 -10.4341 -7.6118 -7.6118 -7.4009 -7.4009 -6.9822 -6.9822 -4.8335 -4.8335 -4.8245 -4.8245 -3.7232 -3.7232 -2.2778 -2.2778 -1.7815 -1.7815 -1.6092 -1.6092 0.1057 0.1057 0.1163 0.1163 0.4105 0.4105 0.8673 0.8673 0.9462 0.9462 1.0936 1.0936 1.3832 1.3832 1.6452 1.6452 1.9063 1.9063 2.0846 2.0846 2.6172 2.6172 2.6537 2.6537 2.8139 2.8139 4.4265 4.4265 4.4900 4.4900 k = 0.0741 0.0428 0.3223 ( 12368 PWs) bands (ev): -27.7771 -27.7771 -27.7259 -27.7259 -14.6339 -14.6339 -12.8070 -12.8070 -12.7791 -12.7791 -12.5306 -12.5306 -12.3380 -12.3380 -11.7612 -11.7612 -11.4800 -11.4800 -11.4528 -11.4528 -11.4304 -11.4304 -11.3493 -11.3493 -10.6692 -10.6692 -10.4351 -10.4351 -7.6114 -7.6114 -7.4008 -7.4008 -6.9819 -6.9819 -4.8374 -4.8374 -4.8249 -4.8249 -3.7173 -3.7173 -2.2723 -2.2723 -1.7786 -1.7786 -1.6082 -1.6082 0.1046 0.1046 0.1162 0.1162 0.4175 0.4175 0.8678 0.8678 0.9330 0.9330 1.1009 1.1009 1.3879 1.3879 1.6488 1.6488 1.9026 1.9026 2.0759 2.0759 2.6140 2.6140 2.6519 2.6519 2.8074 2.8074 4.3906 4.3906 4.4953 4.4953 k = 0.0926 0.0535 0.3223 ( 12354 PWs) bands (ev): -27.7768 -27.7768 -27.7263 -27.7263 -14.6335 -14.6335 -12.8072 -12.8072 -12.7792 -12.7792 -12.5294 -12.5294 -12.3397 -12.3397 -11.7591 -11.7591 -11.4825 -11.4825 -11.4526 -11.4526 -11.4297 -11.4297 -11.3489 -11.3489 -10.6699 -10.6699 -10.4364 -10.4364 -7.6109 -7.6109 -7.4006 -7.4006 -6.9815 -6.9815 -4.8427 -4.8427 -4.8250 -4.8250 -3.7099 -3.7099 -2.2655 -2.2655 -1.7749 -1.7749 -1.6068 -1.6068 0.1027 0.1027 0.1165 0.1165 0.4263 0.4263 0.8670 0.8670 0.9198 0.9198 1.1081 1.1081 1.3938 1.3938 1.6528 1.6528 1.8984 1.8984 2.0654 2.0654 2.6094 2.6094 2.6498 2.6498 2.7993 2.7993 4.3471 4.3471 4.5026 4.5026 k = 0.1111 0.0642 0.3223 ( 12346 PWs) bands (ev): -27.7763 -27.7763 -27.7267 -27.7267 -14.6330 -14.6330 -12.8073 -12.8073 -12.7794 -12.7794 -12.5281 -12.5281 -12.3417 -12.3417 -11.7566 -11.7566 -11.4855 -11.4855 -11.4525 -11.4525 -11.4289 -11.4289 -11.3484 -11.3484 -10.6707 -10.6707 -10.4379 -10.4379 -7.6103 -7.6103 -7.4004 -7.4004 -6.9810 -6.9810 -4.8491 -4.8491 -4.8249 -4.8249 -3.7009 -3.7009 -2.2577 -2.2577 -1.7705 -1.7705 -1.6051 -1.6051 0.1001 0.1001 0.1172 0.1172 0.4369 0.4369 0.8630 0.8630 0.9093 0.9093 1.1144 1.1144 1.4010 1.4010 1.6564 1.6564 1.8941 1.8941 2.0537 2.0537 2.6034 2.6034 2.6478 2.6478 2.7898 2.7898 4.2979 4.2979 4.5116 4.5116 k = 0.1296 0.0748 0.3223 ( 12334 PWs) bands (ev): -27.7758 -27.7758 -27.7272 -27.7272 -14.6324 -14.6324 -12.8076 -12.8076 -12.7795 -12.7795 -12.5265 -12.5265 -12.3440 -12.3440 -11.7536 -11.7536 -11.4888 -11.4888 -11.4524 -11.4524 -11.4281 -11.4281 -11.3478 -11.3478 -10.6716 -10.6716 -10.4397 -10.4397 -7.6096 -7.6096 -7.4001 -7.4001 -6.9804 -6.9804 -4.8565 -4.8565 -4.8248 -4.8248 -3.6905 -3.6905 -2.2489 -2.2489 -1.7654 -1.7654 -1.6030 -1.6030 0.0968 0.0968 0.1184 0.1184 0.4491 0.4491 0.8536 0.8536 0.9039 0.9039 1.1198 1.1198 1.4090 1.4090 1.6590 1.6590 1.8906 1.8906 2.0413 2.0413 2.5960 2.5960 2.6456 2.6456 2.7792 2.7792 4.2445 4.2445 4.5220 4.5220 k = 0.1481 0.0855 0.3223 ( 12348 PWs) bands (ev): -27.7753 -27.7753 -27.7278 -27.7278 -14.6317 -14.6317 -12.8078 -12.8078 -12.7797 -12.7797 -12.5247 -12.5247 -12.3467 -12.3467 -11.7502 -11.7502 -11.4925 -11.4925 -11.4523 -11.4523 -11.4272 -11.4272 -11.3472 -11.3472 -10.6727 -10.6727 -10.4416 -10.4416 -7.6088 -7.6088 -7.3998 -7.3998 -6.9798 -6.9798 -4.8648 -4.8648 -4.8246 -4.8246 -3.6788 -3.6788 -2.2394 -2.2394 -1.7596 -1.7596 -1.6004 -1.6004 0.0931 0.0931 0.1200 0.1200 0.4629 0.4629 0.8394 0.8394 0.9032 0.9032 1.1240 1.1240 1.4179 1.4179 1.6593 1.6593 1.8887 1.8887 2.0288 2.0288 2.5872 2.5872 2.6430 2.6430 2.7678 2.7678 4.1884 4.1884 4.5337 4.5337 k = 0.1667 0.0962 0.3223 ( 12364 PWs) bands (ev): -27.7746 -27.7746 -27.7284 -27.7284 -14.6310 -14.6310 -12.8081 -12.8081 -12.7799 -12.7799 -12.5227 -12.5227 -12.3496 -12.3496 -11.7465 -11.7465 -11.4966 -11.4966 -11.4521 -11.4521 -11.4263 -11.4263 -11.3465 -11.3465 -10.6739 -10.6739 -10.4437 -10.4437 -7.6080 -7.6080 -7.3995 -7.3995 -6.9791 -6.9791 -4.8738 -4.8738 -4.8244 -4.8244 -3.6659 -3.6659 -2.2295 -2.2295 -1.7532 -1.7532 -1.5973 -1.5973 0.0889 0.0889 0.1219 0.1219 0.4781 0.4781 0.8227 0.8227 0.9053 0.9053 1.1271 1.1271 1.4272 1.4272 1.6566 1.6566 1.8896 1.8896 2.0168 2.0168 2.5773 2.5773 2.6399 2.6399 2.7561 2.7561 4.1304 4.1304 4.5461 4.5461 k = 0.1852 0.1069 0.3223 ( 12360 PWs) bands (ev): -27.7740 -27.7740 -27.7291 -27.7291 -14.6302 -14.6302 -12.8084 -12.8084 -12.7801 -12.7801 -12.5205 -12.5205 -12.3528 -12.3528 -11.7424 -11.7424 -11.5010 -11.5010 -11.4520 -11.4520 -11.4254 -11.4254 -11.3458 -11.3458 -10.6752 -10.6752 -10.4459 -10.4459 -7.6071 -7.6071 -7.3992 -7.3992 -6.9784 -6.9784 -4.8833 -4.8833 -4.8241 -4.8241 -3.6520 -3.6520 -2.2193 -2.2193 -1.7464 -1.7464 -1.5937 -1.5937 0.0846 0.0846 0.1239 0.1239 0.4944 0.4944 0.8049 0.8049 0.9089 0.9089 1.1291 1.1291 1.4367 1.4367 1.6501 1.6501 1.8938 1.8938 2.0058 2.0058 2.5664 2.5664 2.6357 2.6357 2.7447 2.7447 4.0715 4.0715 4.5428 4.5428 k = 0.2037 0.1176 0.3223 ( 12354 PWs) bands (ev): -27.7732 -27.7732 -27.7299 -27.7299 -14.6294 -14.6294 -12.8087 -12.8087 -12.7804 -12.7804 -12.5181 -12.5181 -12.3562 -12.3562 -11.7379 -11.7379 -11.5056 -11.5056 -11.4519 -11.4519 -11.4246 -11.4246 -11.3451 -11.3451 -10.6765 -10.6765 -10.4482 -10.4482 -7.6061 -7.6061 -7.3988 -7.3988 -6.9776 -6.9776 -4.8933 -4.8933 -4.8238 -4.8238 -3.6372 -3.6372 -2.2092 -2.2092 -1.7390 -1.7390 -1.5895 -1.5895 0.0800 0.0800 0.1263 0.1263 0.5117 0.5117 0.7868 0.7868 0.9132 0.9132 1.1301 1.1301 1.4458 1.4458 1.6400 1.6400 1.9011 1.9011 1.9970 1.9970 2.5548 2.5548 2.6300 2.6300 2.7341 2.7341 4.0121 4.0121 4.4680 4.4680 k = 0.2222 0.1283 0.3223 ( 12360 PWs) bands (ev): -27.7724 -27.7724 -27.7307 -27.7307 -14.6286 -14.6286 -12.8090 -12.8090 -12.7806 -12.7806 -12.5155 -12.5155 -12.3599 -12.3599 -11.7332 -11.7332 -11.5106 -11.5106 -11.4518 -11.4518 -11.4237 -11.4237 -11.3444 -11.3444 -10.6779 -10.6779 -10.4506 -10.4506 -7.6052 -7.6052 -7.3985 -7.3985 -6.9768 -6.9768 -4.9035 -4.9035 -4.8235 -4.8235 -3.6216 -3.6216 -2.1994 -2.1994 -1.7314 -1.7314 -1.5848 -1.5848 0.0754 0.0754 0.1287 0.1287 0.5296 0.5296 0.7689 0.7689 0.9179 0.9179 1.1303 1.1303 1.4537 1.4537 1.6271 1.6271 1.9098 1.9098 1.9921 1.9921 2.5428 2.5428 2.6224 2.6224 2.7249 2.7249 3.9526 3.9526 4.3895 4.3895 k = 0.2407 0.1390 0.3223 ( 12362 PWs) bands (ev): -27.7715 -27.7715 -27.7316 -27.7316 -14.6277 -14.6277 -12.8094 -12.8094 -12.7808 -12.7808 -12.5127 -12.5127 -12.3637 -12.3637 -11.7281 -11.7281 -11.5157 -11.5157 -11.4517 -11.4517 -11.4228 -11.4228 -11.3436 -11.3436 -10.6793 -10.6793 -10.4530 -10.4530 -7.6042 -7.6042 -7.3981 -7.3981 -6.9760 -6.9760 -4.9139 -4.9139 -4.8232 -4.8232 -3.6055 -3.6055 -2.1900 -2.1900 -1.7235 -1.7235 -1.5795 -1.5795 0.0708 0.0708 0.1314 0.1314 0.5480 0.5480 0.7515 0.7515 0.9228 0.9228 1.1298 1.1298 1.4595 1.4595 1.6130 1.6130 1.9162 1.9162 1.9944 1.9944 2.5306 2.5306 2.6127 2.6127 2.7175 2.7175 3.8933 3.8933 4.3104 4.3104 k = 0.2593 0.1497 0.3223 ( 12354 PWs) bands (ev): -27.7706 -27.7706 -27.7325 -27.7325 -14.6268 -14.6268 -12.8098 -12.8098 -12.7810 -12.7810 -12.5098 -12.5098 -12.3676 -12.3676 -11.7229 -11.7229 -11.5211 -11.5211 -11.4516 -11.4516 -11.4220 -11.4220 -11.3429 -11.3429 -10.6808 -10.6808 -10.4553 -10.4553 -7.6032 -7.6032 -7.3977 -7.3977 -6.9752 -6.9752 -4.9242 -4.9242 -4.8228 -4.8228 -3.5891 -3.5891 -2.1813 -2.1813 -1.7156 -1.7156 -1.5738 -1.5738 0.0662 0.0662 0.1341 0.1341 0.5662 0.5662 0.7351 0.7351 0.9279 0.9279 1.1287 1.1287 1.4617 1.4617 1.6002 1.6002 1.9172 1.9172 2.0064 2.0064 2.5185 2.5185 2.6011 2.6011 2.7121 2.7121 3.8340 3.8340 4.2319 4.2319 k = 0.2778 0.1604 0.3223 ( 12342 PWs) bands (ev): -27.7697 -27.7697 -27.7334 -27.7334 -14.6259 -14.6259 -12.8101 -12.8101 -12.7812 -12.7812 -12.5067 -12.5067 -12.3717 -12.3717 -11.7174 -11.7174 -11.5266 -11.5266 -11.4515 -11.4515 -11.4213 -11.4213 -11.3422 -11.3422 -10.6823 -10.6823 -10.4577 -10.4577 -7.6023 -7.6023 -7.3974 -7.3974 -6.9744 -6.9744 -4.9344 -4.9344 -4.8224 -4.8224 -3.5726 -3.5726 -2.1733 -2.1733 -1.7076 -1.7076 -1.5675 -1.5675 0.0618 0.0618 0.1369 0.1369 0.5840 0.5840 0.7199 0.7199 0.9330 0.9330 1.1271 1.1271 1.4585 1.4585 1.5911 1.5911 1.9131 1.9131 2.0273 2.0273 2.5069 2.5069 2.5880 2.5880 2.7082 2.7082 3.7746 3.7746 4.1554 4.1554 k = 0.2963 0.1711 0.3223 ( 12346 PWs) bands (ev): -27.7687 -27.7687 -27.7344 -27.7344 -14.6251 -14.6251 -12.8105 -12.8105 -12.7813 -12.7813 -12.5036 -12.5036 -12.3758 -12.3758 -11.7118 -11.7118 -11.5323 -11.5323 -11.4514 -11.4514 -11.4206 -11.4206 -11.3415 -11.3415 -10.6837 -10.6837 -10.4599 -10.4599 -7.6014 -7.6014 -7.3970 -7.3970 -6.9736 -6.9736 -4.9443 -4.9443 -4.8221 -4.8221 -3.5562 -3.5562 -2.1661 -2.1661 -1.6998 -1.6998 -1.5609 -1.5609 0.0576 0.0576 0.1397 0.1397 0.6004 0.6004 0.7066 0.7066 0.9382 0.9382 1.1252 1.1252 1.4492 1.4492 1.5871 1.5871 1.9061 1.9061 2.0541 2.0541 2.4962 2.4962 2.5739 2.5739 2.7057 2.7057 3.7148 3.7148 4.0823 4.0823 k = 0.3148 0.1818 0.3223 ( 12334 PWs) bands (ev): -27.7677 -27.7677 -27.7354 -27.7354 -14.6243 -14.6243 -12.8109 -12.8109 -12.7815 -12.7815 -12.5003 -12.5003 -12.3800 -12.3800 -11.7060 -11.7060 -11.5380 -11.5380 -11.4513 -11.4513 -11.4199 -11.4199 -11.3408 -11.3408 -10.6851 -10.6851 -10.4621 -10.4621 -7.6005 -7.6005 -7.3967 -7.3967 -6.9729 -6.9729 -4.9537 -4.9537 -4.8217 -4.8217 -3.5401 -3.5401 -2.1598 -2.1598 -1.6922 -1.6922 -1.5541 -1.5541 0.0537 0.0537 0.1425 0.1425 0.6143 0.6143 0.6964 0.6964 0.9433 0.9433 1.1230 1.1230 1.4344 1.4344 1.5882 1.5882 1.8978 1.8978 2.0845 2.0845 2.4869 2.4869 2.5595 2.5595 2.7042 2.7042 3.6540 3.6540 4.0137 4.0137 k = 0.3333 0.1925 0.3223 ( 12338 PWs) bands (ev): -27.7667 -27.7667 -27.7364 -27.7364 -14.6235 -14.6235 -12.8112 -12.8112 -12.7816 -12.7816 -12.4970 -12.4970 -12.3842 -12.3842 -11.7002 -11.7002 -11.5439 -11.5439 -11.4512 -11.4512 -11.4193 -11.4193 -11.3402 -11.3402 -10.6864 -10.6864 -10.4641 -10.4641 -7.5996 -7.5996 -7.3963 -7.3963 -6.9721 -6.9721 -4.9627 -4.9627 -4.8214 -4.8214 -3.5247 -3.5247 -2.1544 -2.1544 -1.6850 -1.6850 -1.5471 -1.5471 0.0500 0.0500 0.1453 0.1453 0.6236 0.6236 0.6909 0.6909 0.9484 0.9484 1.1207 1.1207 1.4162 1.4162 1.5929 1.5929 1.8889 1.8889 2.1170 2.1170 2.4795 2.4795 2.5454 2.5454 2.7033 2.7033 3.5921 3.5921 3.9510 3.9510 k = 0.3519 0.2031 0.3223 ( 12372 PWs) bands (ev): -27.7657 -27.7657 -27.7375 -27.7375 -14.6228 -14.6228 -12.8116 -12.8116 -12.7818 -12.7818 -12.4937 -12.4937 -12.3883 -12.3883 -11.6944 -11.6944 -11.5497 -11.5497 -11.4511 -11.4511 -11.4187 -11.4187 -11.3397 -11.3397 -10.6877 -10.6877 -10.4660 -10.4660 -7.5988 -7.5988 -7.3960 -7.3960 -6.9715 -6.9715 -4.9710 -4.9710 -4.8210 -4.8210 -3.5100 -3.5100 -2.1499 -2.1499 -1.6783 -1.6783 -1.5401 -1.5401 0.0467 0.0467 0.1479 0.1479 0.6264 0.6264 0.6920 0.6920 0.9536 0.9536 1.1184 1.1184 1.3963 1.3963 1.5996 1.5996 1.8799 1.8799 2.1500 2.1500 2.4746 2.4746 2.5320 2.5320 2.7030 2.7030 3.5289 3.5289 3.8950 3.8950 k = 0.3704 0.2138 0.3223 ( 12378 PWs) bands (ev): -27.7647 -27.7647 -27.7385 -27.7385 -14.6221 -14.6221 -12.8119 -12.8119 -12.7819 -12.7819 -12.4905 -12.4905 -12.3923 -12.3923 -11.6886 -11.6886 -11.5554 -11.5554 -11.4510 -11.4510 -11.4183 -11.4183 -11.3392 -11.3392 -10.6888 -10.6888 -10.4677 -10.4677 -7.5981 -7.5981 -7.3958 -7.3958 -6.9709 -6.9709 -4.9785 -4.9785 -4.8207 -4.8207 -3.4964 -3.4964 -2.1462 -2.1462 -1.6721 -1.6721 -1.5334 -1.5334 0.0437 0.0437 0.1504 0.1504 0.6237 0.6237 0.6985 0.6985 0.9587 0.9587 1.1161 1.1161 1.3764 1.3764 1.6074 1.6074 1.8712 1.8712 2.1819 2.1819 2.4731 2.4731 2.5202 2.5202 2.7029 2.7029 3.4651 3.4651 3.8463 3.8463 k = 0.3889 0.2245 0.3223 ( 12378 PWs) bands (ev): -27.7637 -27.7637 -27.7394 -27.7394 -14.6215 -14.6215 -12.8122 -12.8122 -12.7820 -12.7820 -12.4874 -12.4874 -12.3961 -12.3961 -11.6831 -11.6831 -11.5609 -11.5609 -11.4510 -11.4510 -11.4178 -11.4178 -11.3387 -11.3387 -10.6899 -10.6899 -10.4692 -10.4692 -7.5975 -7.5975 -7.3955 -7.3955 -6.9703 -6.9703 -4.9852 -4.9852 -4.8204 -4.8204 -3.4841 -3.4841 -2.1432 -2.1432 -1.6667 -1.6667 -1.5271 -1.5271 0.0411 0.0411 0.1527 0.1527 0.6182 0.6182 0.7073 0.7073 0.9637 0.9637 1.1139 1.1139 1.3573 1.3573 1.6154 1.6154 1.8628 1.8628 2.2110 2.2110 2.4748 2.4748 2.5112 2.5112 2.7030 2.7030 3.4016 3.4016 3.8049 3.8049 k = 0.4074 0.2352 0.3223 ( 12376 PWs) bands (ev): -27.7628 -27.7628 -27.7403 -27.7403 -14.6210 -14.6210 -12.8124 -12.8124 -12.7821 -12.7821 -12.4844 -12.4844 -12.3996 -12.3996 -11.6778 -11.6778 -11.5661 -11.5661 -11.4509 -11.4509 -11.4175 -11.4175 -11.3383 -11.3383 -10.6908 -10.6908 -10.4705 -10.4705 -7.5969 -7.5969 -7.3953 -7.3953 -6.9698 -6.9698 -4.9910 -4.9910 -4.8202 -4.8202 -3.4733 -3.4733 -2.1409 -2.1409 -1.6619 -1.6619 -1.5213 -1.5213 0.0389 0.0389 0.1547 0.1547 0.6122 0.6122 0.7164 0.7164 0.9685 0.9685 1.1119 1.1119 1.3399 1.3399 1.6232 1.6232 1.8552 1.8552 2.2355 2.2355 2.4771 2.4771 2.5086 2.5086 2.7032 2.7032 3.3399 3.3399 3.7707 3.7707 k = 0.4259 0.2459 0.3223 ( 12374 PWs) bands (ev): -27.7620 -27.7620 -27.7412 -27.7412 -14.6205 -14.6205 -12.8127 -12.8127 -12.7821 -12.7821 -12.4818 -12.4818 -12.4028 -12.4028 -11.6731 -11.6731 -11.5709 -11.5709 -11.4508 -11.4508 -11.4172 -11.4172 -11.3380 -11.3380 -10.6916 -10.6916 -10.4716 -10.4716 -7.5965 -7.5965 -7.3951 -7.3951 -6.9694 -6.9694 -4.9959 -4.9959 -4.8200 -4.8200 -3.4642 -3.4642 -2.1391 -2.1391 -1.6580 -1.6580 -1.5164 -1.5164 0.0370 0.0370 0.1564 0.1564 0.6066 0.6066 0.7245 0.7245 0.9730 0.9730 1.1102 1.1102 1.3247 1.3247 1.6303 1.6303 1.8483 1.8483 2.2544 2.2544 2.4756 2.4756 2.5171 2.5171 2.7035 2.7035 3.2823 3.2823 3.7434 3.7434 k = 0.4444 0.2566 0.3223 ( 12358 PWs) bands (ev): -27.7613 -27.7613 -27.7419 -27.7419 -14.6202 -14.6202 -12.8128 -12.8128 -12.7822 -12.7822 -12.4795 -12.4795 -12.4054 -12.4054 -11.6689 -11.6689 -11.5750 -11.5750 -11.4508 -11.4508 -11.4169 -11.4169 -11.3378 -11.3378 -10.6922 -10.6922 -10.4724 -10.4724 -7.5961 -7.5961 -7.3950 -7.3950 -6.9691 -6.9691 -4.9997 -4.9997 -4.8198 -4.8198 -3.4569 -3.4569 -2.1379 -2.1379 -1.6549 -1.6549 -1.5124 -1.5124 0.0356 0.0356 0.1578 0.1578 0.6020 0.6020 0.7311 0.7311 0.9769 0.9769 1.1087 1.1087 1.3123 1.3123 1.6362 1.6362 1.8427 1.8427 2.2674 2.2674 2.4714 2.4714 2.5333 2.5333 2.7038 2.7038 3.2315 3.2315 3.7225 3.7225 k = 0.4630 0.2673 0.3223 ( 12340 PWs) bands (ev): -27.7608 -27.7608 -27.7424 -27.7424 -14.6199 -14.6199 -12.8129 -12.8129 -12.7822 -12.7822 -12.4778 -12.4778 -12.4074 -12.4074 -11.6657 -11.6657 -11.5782 -11.5782 -11.4508 -11.4508 -11.4168 -11.4168 -11.3376 -11.3376 -10.6926 -10.6926 -10.4730 -10.4730 -7.5958 -7.5958 -7.3949 -7.3949 -6.9689 -6.9689 -5.0025 -5.0025 -4.8197 -4.8197 -3.4516 -3.4516 -2.1370 -2.1370 -1.6526 -1.6526 -1.5094 -1.5094 0.0346 0.0346 0.1588 0.1588 0.5985 0.5985 0.7359 0.7359 0.9800 0.9800 1.1077 1.1077 1.3031 1.3031 1.6408 1.6408 1.8384 1.8384 2.2756 2.2756 2.4674 2.4674 2.5509 2.5509 2.7040 2.7040 3.1908 3.1908 3.7078 3.7078 k = 0.4815 0.2780 0.3223 ( 12332 PWs) bands (ev): -27.7605 -27.7605 -27.7427 -27.7427 -14.6198 -14.6198 -12.8130 -12.8130 -12.7822 -12.7822 -12.4767 -12.4767 -12.4087 -12.4087 -11.6636 -11.6636 -11.5803 -11.5803 -11.4507 -11.4507 -11.4167 -11.4167 -11.3375 -11.3375 -10.6929 -10.6929 -10.4734 -10.4734 -7.5957 -7.5957 -7.3948 -7.3948 -6.9687 -6.9687 -5.0042 -5.0042 -4.8196 -4.8196 -3.4484 -3.4484 -2.1366 -2.1366 -1.6513 -1.6513 -1.5076 -1.5076 0.0340 0.0340 0.1594 0.1594 0.5964 0.5964 0.7388 0.7388 0.9820 0.9820 1.1070 1.1070 1.2975 1.2975 1.6436 1.6436 1.8357 1.8357 2.2799 2.2799 2.4648 2.4648 2.5643 2.5643 2.7041 2.7041 3.1641 3.1641 3.6991 3.6991 k = 0.5000 0.2887 0.3223 ( 12340 PWs) bands (ev): -27.7603 -27.7603 -27.7429 -27.7429 -14.6197 -14.6197 -12.8130 -12.8130 -12.7822 -12.7822 -12.4763 -12.4763 -12.4091 -12.4091 -11.6629 -11.6629 -11.5810 -11.5810 -11.4507 -11.4507 -11.4166 -11.4166 -11.3375 -11.3375 -10.6929 -10.6929 -10.4735 -10.4735 -7.5956 -7.5956 -7.3948 -7.3948 -6.9687 -6.9687 -5.0047 -5.0047 -4.8196 -4.8196 -3.4473 -3.4473 -2.1364 -2.1364 -1.6508 -1.6508 -1.5069 -1.5069 0.0338 0.0338 0.1596 0.1596 0.5957 0.5957 0.7398 0.7398 0.9827 0.9827 1.1068 1.1068 1.2955 1.2955 1.6446 1.6446 1.8347 1.8347 2.2813 2.2813 2.4639 2.4639 2.5693 2.5693 2.7042 2.7042 3.1548 3.1548 3.6962 3.6962 k = 0.5000 0.2887 0.3223 ( 12340 PWs) bands (ev): -27.7603 -27.7603 -27.7429 -27.7429 -14.6197 -14.6197 -12.8130 -12.8130 -12.7822 -12.7822 -12.4763 -12.4763 -12.4091 -12.4091 -11.6629 -11.6629 -11.5810 -11.5810 -11.4507 -11.4507 -11.4166 -11.4166 -11.3375 -11.3375 -10.6929 -10.6929 -10.4735 -10.4735 -7.5956 -7.5956 -7.3948 -7.3948 -6.9687 -6.9687 -5.0047 -5.0047 -4.8196 -4.8196 -3.4473 -3.4473 -2.1364 -2.1364 -1.6508 -1.6508 -1.5069 -1.5069 0.0338 0.0338 0.1596 0.1596 0.5957 0.5957 0.7398 0.7398 0.9827 0.9827 1.1068 1.1068 1.2955 1.2955 1.6446 1.6446 1.8347 1.8347 2.2813 2.2813 2.4639 2.4639 2.5693 2.5693 2.7042 2.7042 3.1548 3.1548 3.6962 3.6962 k = 0.4896 0.3067 0.3223 ( 12334 PWs) bands (ev): -27.7603 -27.7603 -27.7429 -27.7429 -14.6197 -14.6197 -12.8130 -12.8130 -12.7823 -12.7823 -12.4762 -12.4762 -12.4092 -12.4092 -11.6628 -11.6628 -11.5811 -11.5811 -11.4511 -11.4511 -11.4164 -11.4164 -11.3374 -11.3374 -10.6929 -10.6929 -10.4736 -10.4736 -7.5956 -7.5956 -7.3948 -7.3948 -6.9687 -6.9687 -5.0043 -5.0043 -4.8202 -4.8202 -3.4470 -3.4470 -2.1359 -2.1359 -1.6505 -1.6505 -1.5073 -1.5073 0.0340 0.0340 0.1593 0.1593 0.5957 0.5957 0.7398 0.7398 0.9831 0.9831 1.1067 1.1067 1.2957 1.2957 1.6445 1.6445 1.8333 1.8333 2.2824 2.2824 2.4641 2.4641 2.5707 2.5707 2.7029 2.7029 3.1545 3.1545 3.6931 3.6931 k = 0.4792 0.3248 0.3223 ( 12342 PWs) bands (ev): -27.7602 -27.7602 -27.7430 -27.7430 -14.6196 -14.6196 -12.8130 -12.8130 -12.7823 -12.7823 -12.4759 -12.4759 -12.4096 -12.4096 -11.6623 -11.6623 -11.5813 -11.5813 -11.4520 -11.4520 -11.4157 -11.4157 -11.3374 -11.3374 -10.6929 -10.6929 -10.4739 -10.4739 -7.5955 -7.5955 -7.3948 -7.3948 -6.9686 -6.9686 -5.0031 -5.0031 -4.8220 -4.8220 -3.4463 -3.4463 -2.1343 -2.1343 -1.6497 -1.6497 -1.5082 -1.5082 0.0348 0.0348 0.1581 0.1581 0.5958 0.5958 0.7396 0.7396 0.9845 0.9845 1.1064 1.1064 1.2963 1.2963 1.6443 1.6443 1.8292 1.8292 2.2859 2.2859 2.4644 2.4644 2.5749 2.5749 2.6993 2.6993 3.1538 3.1538 3.6838 3.6838 k = 0.4688 0.3428 0.3223 ( 12354 PWs) bands (ev): -27.7600 -27.7600 -27.7432 -27.7432 -14.6196 -14.6196 -12.8130 -12.8130 -12.7824 -12.7824 -12.4754 -12.4754 -12.4101 -12.4101 -11.6614 -11.6614 -11.5817 -11.5817 -11.4534 -11.4534 -11.4146 -11.4146 -11.3373 -11.3373 -10.6929 -10.6929 -10.4743 -10.4743 -7.5954 -7.5954 -7.3947 -7.3947 -6.9686 -6.9686 -5.0012 -5.0012 -4.8250 -4.8250 -3.4452 -3.4452 -2.1319 -2.1319 -1.6482 -1.6482 -1.5098 -1.5098 0.0361 0.0361 0.1563 0.1563 0.5960 0.5960 0.7394 0.7394 0.9867 0.9867 1.1058 1.1058 1.2971 1.2971 1.6439 1.6439 1.8227 1.8227 2.2915 2.2915 2.4649 2.4649 2.5820 2.5820 2.6933 2.6933 3.1527 3.1527 3.6684 3.6684 k = 0.4583 0.3608 0.3223 ( 12362 PWs) bands (ev): -27.7597 -27.7597 -27.7435 -27.7435 -14.6195 -14.6195 -12.8129 -12.8129 -12.7826 -12.7826 -12.4747 -12.4747 -12.4109 -12.4109 -11.6603 -11.6603 -11.5823 -11.5823 -11.4552 -11.4552 -11.4133 -11.4133 -11.3372 -11.3372 -10.6928 -10.6928 -10.4748 -10.4748 -7.5953 -7.5953 -7.3947 -7.3947 -6.9685 -6.9685 -4.9984 -4.9984 -4.8292 -4.8292 -3.4435 -3.4435 -2.1285 -2.1285 -1.6461 -1.6461 -1.5120 -1.5120 0.0380 0.0380 0.1537 0.1537 0.5962 0.5962 0.7391 0.7391 0.9897 0.9897 1.1051 1.1051 1.2982 1.2982 1.6433 1.6433 1.8141 1.8141 2.2992 2.2992 2.4657 2.4657 2.5919 2.5919 2.6850 2.6850 3.1512 3.1512 3.6474 3.6474 k = 0.4479 0.3789 0.3223 ( 12354 PWs) bands (ev): -27.7594 -27.7594 -27.7438 -27.7438 -14.6193 -14.6193 -12.8129 -12.8129 -12.7827 -12.7827 -12.4738 -12.4738 -12.4120 -12.4120 -11.6588 -11.6588 -11.5831 -11.5831 -11.4573 -11.4573 -11.4119 -11.4119 -11.3371 -11.3371 -10.6928 -10.6928 -10.4755 -10.4755 -7.5951 -7.5951 -7.3946 -7.3946 -6.9683 -6.9683 -4.9950 -4.9950 -4.8344 -4.8344 -3.4415 -3.4415 -2.1245 -2.1245 -1.6435 -1.6435 -1.5148 -1.5148 0.0403 0.0403 0.1505 0.1505 0.5964 0.5964 0.7388 0.7388 0.9934 0.9934 1.1042 1.1042 1.2994 1.2994 1.6424 1.6424 1.8039 1.8039 2.3086 2.3086 2.4667 2.4667 2.6047 2.6047 2.6747 2.6747 3.1492 3.1492 3.6209 3.6209 k = 0.4375 0.3969 0.3223 ( 12362 PWs) bands (ev): -27.7590 -27.7590 -27.7442 -27.7442 -14.6192 -14.6192 -12.8128 -12.8128 -12.7829 -12.7829 -12.4727 -12.4727 -12.4132 -12.4132 -11.6570 -11.6570 -11.5841 -11.5841 -11.4595 -11.4595 -11.4103 -11.4103 -11.3370 -11.3370 -10.6927 -10.6927 -10.4763 -10.4763 -7.5949 -7.5949 -7.3945 -7.3945 -6.9682 -6.9682 -4.9909 -4.9909 -4.8405 -4.8405 -3.4392 -3.4392 -2.1200 -2.1200 -1.6401 -1.6401 -1.5181 -1.5181 0.0431 0.0431 0.1467 0.1467 0.5966 0.5966 0.7385 0.7385 0.9978 0.9978 1.1030 1.1030 1.3007 1.3007 1.6411 1.6411 1.7927 1.7927 2.3195 2.3195 2.4679 2.4679 2.6202 2.6202 2.6628 2.6628 3.1469 3.1469 3.5896 3.5896 k = 0.4271 0.4150 0.3223 ( 12358 PWs) bands (ev): -27.7585 -27.7585 -27.7447 -27.7447 -14.6190 -14.6190 -12.8127 -12.8127 -12.7831 -12.7831 -12.4715 -12.4715 -12.4146 -12.4146 -11.6549 -11.6549 -11.5853 -11.5853 -11.4617 -11.4617 -11.4089 -11.4089 -11.3368 -11.3368 -10.6926 -10.6926 -10.4771 -10.4771 -7.5947 -7.5947 -7.3945 -7.3945 -6.9681 -6.9681 -4.9861 -4.9861 -4.8474 -4.8474 -3.4366 -3.4366 -2.1151 -2.1151 -1.6362 -1.6362 -1.5220 -1.5220 0.0464 0.0464 0.1423 0.1423 0.5969 0.5969 0.7382 0.7382 1.0028 1.0028 1.1015 1.1015 1.3020 1.3020 1.6395 1.6395 1.7812 1.7812 2.3317 2.3317 2.4693 2.4693 2.6361 2.6361 2.6518 2.6518 3.1441 3.1441 3.5539 3.5539 k = 0.4167 0.4330 0.3223 ( 12366 PWs) bands (ev): -27.7580 -27.7580 -27.7452 -27.7452 -14.6188 -14.6188 -12.8126 -12.8126 -12.7833 -12.7833 -12.4701 -12.4701 -12.4162 -12.4162 -11.6526 -11.6526 -11.5868 -11.5868 -11.4638 -11.4638 -11.4074 -11.4074 -11.3366 -11.3366 -10.6926 -10.6926 -10.4780 -10.4780 -7.5944 -7.5944 -7.3944 -7.3944 -6.9679 -6.9679 -4.9808 -4.9808 -4.8550 -4.8550 -3.4338 -3.4338 -2.1102 -2.1102 -1.6316 -1.6316 -1.5264 -1.5264 0.0501 0.0501 0.1375 0.1375 0.5971 0.5971 0.7380 0.7380 1.0082 1.0082 1.0998 1.0998 1.3031 1.3031 1.6373 1.6373 1.7698 1.7698 2.3448 2.3448 2.4709 2.4709 2.6302 2.6302 2.6644 2.6644 3.1408 3.1408 3.5146 3.5146 k = 0.4062 0.4511 0.3223 ( 12352 PWs) bands (ev): -27.7574 -27.7574 -27.7458 -27.7458 -14.6186 -14.6186 -12.8126 -12.8126 -12.7835 -12.7835 -12.4685 -12.4685 -12.4179 -12.4179 -11.6500 -11.6500 -11.5885 -11.5885 -11.4659 -11.4659 -11.4061 -11.4061 -11.3365 -11.3365 -10.6925 -10.6925 -10.4789 -10.4789 -7.5942 -7.5942 -7.3943 -7.3943 -6.9677 -6.9677 -4.9750 -4.9750 -4.8632 -4.8632 -3.4309 -3.4309 -2.1053 -2.1053 -1.6263 -1.6263 -1.5313 -1.5313 0.0542 0.0542 0.1323 0.1323 0.5972 0.5972 0.7378 0.7378 1.0140 1.0140 1.0977 1.0977 1.3039 1.3039 1.6348 1.6348 1.7592 1.7592 2.3587 2.3587 2.4729 2.4729 2.6142 2.6142 2.6891 2.6891 3.1364 3.1364 3.4726 3.4726 k = 0.3958 0.4691 0.3223 ( 12378 PWs) bands (ev): -27.7567 -27.7567 -27.7465 -27.7465 -14.6185 -14.6185 -12.8125 -12.8125 -12.7837 -12.7837 -12.4669 -12.4669 -12.4197 -12.4197 -11.6472 -11.6472 -11.5905 -11.5905 -11.4677 -11.4677 -11.4050 -11.4050 -11.3363 -11.3363 -10.6925 -10.6925 -10.4797 -10.4797 -7.5939 -7.5939 -7.3942 -7.3942 -6.9676 -6.9676 -4.9688 -4.9688 -4.8717 -4.8717 -3.4280 -3.4280 -2.1007 -2.1007 -1.6205 -1.6205 -1.5365 -1.5365 0.0586 0.0586 0.1268 0.1268 0.5973 0.5973 0.7378 0.7378 1.0201 1.0201 1.0953 1.0953 1.3043 1.3043 1.6319 1.6319 1.7498 1.7498 2.3731 2.3731 2.4750 2.4750 2.5966 2.5966 2.7178 2.7178 3.1304 3.1304 3.4292 3.4292 k = 0.3854 0.4871 0.3223 ( 12374 PWs) bands (ev): -27.7560 -27.7560 -27.7472 -27.7472 -14.6183 -14.6183 -12.8125 -12.8125 -12.7839 -12.7839 -12.4652 -12.4652 -12.4215 -12.4215 -11.6444 -11.6444 -11.5927 -11.5927 -11.4693 -11.4693 -11.4040 -11.4040 -11.3362 -11.3362 -10.6925 -10.6925 -10.4805 -10.4805 -7.5937 -7.5937 -7.3941 -7.3941 -6.9674 -6.9674 -4.9622 -4.9622 -4.8804 -4.8804 -3.4252 -3.4252 -2.0965 -2.0965 -1.6141 -1.6141 -1.5422 -1.5422 0.0634 0.0634 0.1211 0.1211 0.5973 0.5973 0.7378 0.7378 1.0264 1.0264 1.0926 1.0926 1.3043 1.3043 1.6290 1.6290 1.7417 1.7417 2.3876 2.3876 2.4774 2.4774 2.5784 2.5784 2.7499 2.7499 3.1215 3.1215 3.3865 3.3865 k = 0.3750 0.5052 0.3223 ( 12374 PWs) bands (ev): -27.7552 -27.7552 -27.7480 -27.7480 -14.6181 -14.6181 -12.8124 -12.8124 -12.7840 -12.7840 -12.4636 -12.4636 -12.4233 -12.4233 -11.6414 -11.6414 -11.5950 -11.5950 -11.4706 -11.4706 -11.4031 -11.4031 -11.3360 -11.3360 -10.6925 -10.6925 -10.4813 -10.4813 -7.5935 -7.5935 -7.3941 -7.3941 -6.9673 -6.9673 -4.9554 -4.9554 -4.8891 -4.8891 -3.4226 -3.4226 -2.0930 -2.0930 -1.6073 -1.6073 -1.5481 -1.5481 0.0684 0.0684 0.1153 0.1153 0.5972 0.5972 0.7380 0.7380 1.0327 1.0327 1.0894 1.0894 1.3040 1.3040 1.6262 1.6262 1.7352 1.7352 2.4021 2.4021 2.4801 2.4801 2.5599 2.5599 2.7856 2.7856 3.1076 3.1076 3.3471 3.3471 k = 0.3646 0.5232 0.3223 ( 12378 PWs) bands (ev): -27.7544 -27.7544 -27.7488 -27.7488 -14.6180 -14.6180 -12.8124 -12.8124 -12.7842 -12.7842 -12.4620 -12.4620 -12.4250 -12.4250 -11.6386 -11.6386 -11.5973 -11.5973 -11.4716 -11.4716 -11.4025 -11.4025 -11.3359 -11.3359 -10.6925 -10.6925 -10.4818 -10.4818 -7.5934 -7.5934 -7.3940 -7.3940 -6.9672 -6.9672 -4.9485 -4.9485 -4.8976 -4.8976 -3.4203 -3.4203 -2.0902 -2.0902 -1.6003 -1.6003 -1.5542 -1.5542 0.0735 0.0735 0.1096 0.1096 0.5971 0.5971 0.7382 0.7382 1.0387 1.0387 1.0859 1.0859 1.3033 1.3033 1.6239 1.6239 1.7301 1.7301 2.4161 2.4161 2.4828 2.4828 2.5420 2.5420 2.8248 2.8248 3.0859 3.0859 3.3146 3.3146 k = 0.3542 0.5413 0.3223 ( 12358 PWs) bands (ev): -27.7535 -27.7535 -27.7497 -27.7497 -14.6179 -14.6179 -12.8123 -12.8123 -12.7842 -12.7842 -12.4607 -12.4607 -12.4264 -12.4264 -11.6361 -11.6361 -11.5995 -11.5995 -11.4724 -11.4724 -11.4020 -11.4020 -11.3358 -11.3358 -10.6925 -10.6925 -10.4823 -10.4823 -7.5932 -7.5932 -7.3940 -7.3940 -6.9671 -6.9671 -4.9418 -4.9418 -4.9055 -4.9055 -3.4186 -3.4186 -2.0881 -2.0881 -1.5933 -1.5933 -1.5604 -1.5604 0.0786 0.0786 0.1040 0.1040 0.5969 0.5969 0.7385 0.7385 1.0443 1.0443 1.0824 1.0824 1.3024 1.3024 1.6222 1.6222 1.7266 1.7266 2.4290 2.4290 2.4851 2.4851 2.5258 2.5258 2.8674 2.8674 3.0545 3.0545 3.2919 3.2919 k = 0.3438 0.5593 0.3223 ( 12364 PWs) bands (ev): -27.7526 -27.7526 -27.7506 -27.7506 -14.6178 -14.6178 -12.8123 -12.8123 -12.7843 -12.7843 -12.4598 -12.4598 -12.4274 -12.4274 -11.6343 -11.6343 -11.6011 -11.6011 -11.4728 -11.4728 -11.4017 -11.4017 -11.3358 -11.3358 -10.6925 -10.6925 -10.4826 -10.4826 -7.5931 -7.5931 -7.3939 -7.3939 -6.9670 -6.9670 -4.9359 -4.9359 -4.9122 -4.9122 -3.4174 -3.4174 -2.0869 -2.0869 -1.5872 -1.5872 -1.5660 -1.5660 0.0832 0.0832 0.0991 0.0991 0.5968 0.5968 0.7387 0.7387 1.0486 1.0486 1.0793 1.0793 1.3017 1.3017 1.6213 1.6213 1.7244 1.7244 2.4394 2.4394 2.4860 2.4860 2.5138 2.5138 2.9131 2.9131 3.0137 3.0137 3.2795 3.2795 k = 0.3333 0.5774 0.3223 ( 12372 PWs) bands (ev): -27.7516 -27.7516 -27.7516 -27.7516 -14.6178 -14.6178 -12.8123 -12.8123 -12.7843 -12.7843 -12.4594 -12.4594 -12.4278 -12.4278 -11.6336 -11.6336 -11.6017 -11.6017 -11.4729 -11.4729 -11.4016 -11.4016 -11.3358 -11.3358 -10.6925 -10.6925 -10.4827 -10.4827 -7.5931 -7.5931 -7.3939 -7.3939 -6.9670 -6.9670 -4.9332 -4.9332 -4.9152 -4.9152 -3.4170 -3.4170 -2.0865 -2.0865 -1.5841 -1.5841 -1.5688 -1.5688 0.0855 0.0855 0.0968 0.0968 0.5967 0.5967 0.7388 0.7388 1.0504 1.0504 1.0780 1.0780 1.3014 1.3014 1.6210 1.6210 1.7237 1.7237 2.4439 2.4439 2.4852 2.4852 2.5098 2.5098 2.9532 2.9532 2.9746 2.9746 3.2758 3.2758 k = 0.3333 0.5774 0.3223 ( 12372 PWs) bands (ev): -27.7516 -27.7516 -27.7516 -27.7516 -14.6178 -14.6178 -12.8123 -12.8123 -12.7843 -12.7843 -12.4594 -12.4594 -12.4278 -12.4278 -11.6336 -11.6336 -11.6017 -11.6017 -11.4729 -11.4729 -11.4016 -11.4016 -11.3358 -11.3358 -10.6925 -10.6925 -10.4827 -10.4827 -7.5931 -7.5931 -7.3939 -7.3939 -6.9670 -6.9670 -4.9332 -4.9332 -4.9152 -4.9152 -3.4170 -3.4170 -2.0865 -2.0865 -1.5841 -1.5841 -1.5688 -1.5688 0.0855 0.0855 0.0968 0.0968 0.5967 0.5967 0.7388 0.7388 1.0504 1.0504 1.0780 1.0780 1.3014 1.3014 1.6210 1.6210 1.7237 1.7237 2.4439 2.4439 2.4852 2.4852 2.5098 2.5098 2.9532 2.9532 2.9746 2.9746 3.2758 3.2758 k = 0.3229 0.5593 0.3223 ( 12364 PWs) bands (ev): -27.7526 -27.7526 -27.7506 -27.7506 -14.6178 -14.6178 -12.8123 -12.8123 -12.7843 -12.7843 -12.4598 -12.4598 -12.4274 -12.4274 -11.6343 -11.6343 -11.6010 -11.6010 -11.4728 -11.4728 -11.4017 -11.4017 -11.3358 -11.3358 -10.6925 -10.6925 -10.4826 -10.4826 -7.5931 -7.5931 -7.3939 -7.3939 -6.9670 -6.9670 -4.9357 -4.9357 -4.9123 -4.9123 -3.4175 -3.4175 -2.0869 -2.0869 -1.5872 -1.5872 -1.5660 -1.5660 0.0833 0.0833 0.0990 0.0990 0.5968 0.5968 0.7386 0.7386 1.0485 1.0485 1.0794 1.0794 1.3018 1.3018 1.6212 1.6212 1.7244 1.7244 2.4390 2.4390 2.4877 2.4877 2.5125 2.5125 2.9097 2.9097 3.0179 3.0179 3.2789 3.2789 k = 0.3125 0.5413 0.3223 ( 12360 PWs) bands (ev): -27.7537 -27.7537 -27.7496 -27.7496 -14.6179 -14.6179 -12.8123 -12.8123 -12.7842 -12.7842 -12.4609 -12.4609 -12.4262 -12.4262 -11.6366 -11.6366 -11.5990 -11.5990 -11.4724 -11.4724 -11.4020 -11.4020 -11.3358 -11.3358 -10.6925 -10.6925 -10.4823 -10.4823 -7.5932 -7.5932 -7.3940 -7.3940 -6.9671 -6.9671 -4.9407 -4.9407 -4.9065 -4.9065 -3.4189 -3.4189 -2.0880 -2.0880 -1.5933 -1.5933 -1.5608 -1.5608 0.0792 0.0792 0.1034 0.1034 0.5972 0.5972 0.7381 0.7381 1.0435 1.0435 1.0831 1.0831 1.3033 1.3033 1.6214 1.6214 1.7269 1.7269 2.4274 2.4274 2.4937 2.4937 2.5187 2.5187 2.8551 2.8551 3.0736 3.0736 3.2871 3.2871 k = 0.3021 0.5232 0.3223 ( 12372 PWs) bands (ev): -27.7547 -27.7547 -27.7485 -27.7485 -14.6180 -14.6180 -12.8123 -12.8123 -12.7842 -12.7842 -12.4627 -12.4627 -12.4243 -12.4243 -11.6401 -11.6401 -11.5958 -11.5958 -11.4718 -11.4718 -11.4024 -11.4024 -11.3359 -11.3359 -10.6924 -10.6924 -10.4818 -10.4818 -7.5934 -7.5934 -7.3940 -7.3940 -6.9672 -6.9672 -4.9457 -4.9457 -4.8999 -4.8999 -3.4214 -3.4214 -2.0899 -2.0899 -1.6004 -1.6004 -1.5554 -1.5554 0.0749 0.0749 0.1081 0.1081 0.5980 0.5980 0.7372 0.7372 1.0366 1.0366 1.0877 1.0877 1.3062 1.3062 1.6212 1.6212 1.7311 1.7311 2.4134 2.4134 2.5002 2.5002 2.5268 2.5268 2.8001 2.8001 3.1328 3.1328 3.2996 3.2996 k = 0.2917 0.5052 0.3223 ( 12380 PWs) bands (ev): -27.7558 -27.7558 -27.7474 -27.7474 -14.6182 -14.6182 -12.8123 -12.8123 -12.7840 -12.7840 -12.4650 -12.4650 -12.4218 -12.4218 -11.6444 -11.6444 -11.5918 -11.5918 -11.4710 -11.4710 -11.4030 -11.4030 -11.3361 -11.3361 -10.6922 -10.6922 -10.4810 -10.4810 -7.5936 -7.5936 -7.3941 -7.3941 -6.9674 -6.9674 -4.9502 -4.9502 -4.8931 -4.8931 -3.4252 -3.4252 -2.0924 -2.0924 -1.6079 -1.6079 -1.5506 -1.5506 0.0708 0.0708 0.1127 0.1127 0.5993 0.5993 0.7355 0.7355 1.0286 1.0286 1.0926 1.0926 1.3107 1.3107 1.6204 1.6204 1.7373 1.7373 2.3987 2.3987 2.5056 2.5056 2.5361 2.5361 2.7468 2.7468 3.1950 3.1950 3.3158 3.3158 k = 0.2812 0.4871 0.3223 ( 12380 PWs) bands (ev): -27.7569 -27.7569 -27.7463 -27.7463 -14.6185 -14.6185 -12.8123 -12.8123 -12.7839 -12.7839 -12.4677 -12.4677 -12.4188 -12.4188 -11.6493 -11.6493 -11.5873 -11.5873 -11.4700 -11.4700 -11.4038 -11.4038 -11.3363 -11.3363 -10.6920 -10.6920 -10.4801 -10.4801 -7.5939 -7.5939 -7.3942 -7.3942 -6.9676 -6.9676 -4.9540 -4.9540 -4.8865 -4.8865 -3.4302 -3.4302 -2.0956 -2.0956 -1.6156 -1.6156 -1.5467 -1.5467 0.0672 0.0672 0.1170 0.1170 0.6012 0.6012 0.7330 0.7330 1.0201 1.0201 1.0973 1.0973 1.3171 1.3171 1.6186 1.6186 1.7453 1.7453 2.3835 2.3835 2.5093 2.5093 2.5458 2.5458 2.6977 2.6977 3.2600 3.2600 3.3353 3.3353 k = 0.2708 0.4691 0.3223 ( 12392 PWs) bands (ev): -27.7581 -27.7581 -27.7451 -27.7451 -14.6188 -14.6188 -12.8122 -12.8122 -12.7837 -12.7837 -12.4707 -12.4707 -12.4154 -12.4154 -11.6547 -11.6547 -11.5825 -11.5825 -11.4689 -11.4689 -11.4046 -11.4046 -11.3366 -11.3366 -10.6917 -10.6917 -10.4790 -10.4790 -7.5943 -7.5943 -7.3944 -7.3944 -6.9679 -6.9679 -4.9567 -4.9567 -4.8800 -4.8800 -3.4365 -3.4365 -2.0993 -2.0993 -1.6235 -1.6235 -1.5437 -1.5437 0.0641 0.0641 0.1209 0.1209 0.6040 0.6040 0.7294 0.7294 1.0113 1.0113 1.1018 1.1018 1.3255 1.3255 1.6158 1.6158 1.7550 1.7550 2.3672 2.3672 2.5100 2.5100 2.5550 2.5550 2.6559 2.6559 3.3275 3.3275 3.3583 3.3583 k = 0.2604 0.4511 0.3223 ( 12376 PWs) bands (ev): -27.7592 -27.7592 -27.7440 -27.7440 -14.6192 -14.6192 -12.8122 -12.8122 -12.7835 -12.7835 -12.4740 -12.4740 -12.4118 -12.4118 -11.6603 -11.6603 -11.5774 -11.5774 -11.4677 -11.4677 -11.4056 -11.4056 -11.3369 -11.3369 -10.6913 -10.6913 -10.4777 -10.4777 -7.5948 -7.5948 -7.3945 -7.3945 -6.9683 -6.9683 -4.9585 -4.9585 -4.8738 -4.8738 -3.4441 -3.4441 -2.1035 -2.1035 -1.6314 -1.6314 -1.5418 -1.5418 0.0615 0.0615 0.1243 0.1243 0.6075 0.6075 0.7247 0.7247 1.0024 1.0024 1.1058 1.1058 1.3358 1.3358 1.6121 1.6121 1.7662 1.7662 2.3488 2.3488 2.5054 2.5054 2.5633 2.5633 2.6259 2.6259 3.3828 3.3828 3.3990 3.3990 k = 0.2500 0.4330 0.3223 ( 12370 PWs) bands (ev): -27.7603 -27.7603 -27.7429 -27.7429 -14.6197 -14.6197 -12.8121 -12.8121 -12.7833 -12.7833 -12.4773 -12.4773 -12.4079 -12.4079 -11.6661 -11.6661 -11.5721 -11.5721 -11.4664 -11.4664 -11.4067 -11.4067 -11.3372 -11.3372 -10.6907 -10.6907 -10.4762 -10.4762 -7.5953 -7.5953 -7.3947 -7.3947 -6.9687 -6.9687 -4.9592 -4.9592 -4.8680 -4.8680 -3.4531 -3.4531 -2.1081 -2.1081 -1.6393 -1.6393 -1.5410 -1.5410 0.0594 0.0594 0.1272 0.1272 0.6119 0.6119 0.7187 0.7187 0.9936 0.9936 1.1094 1.1094 1.3481 1.3481 1.6074 1.6074 1.7785 1.7785 2.3266 2.3266 2.4947 2.4947 2.5703 2.5703 2.6110 2.6110 3.4122 3.4122 3.4710 3.4710 k = 0.2396 0.4150 0.3223 ( 12374 PWs) bands (ev): -27.7615 -27.7615 -27.7417 -27.7417 -14.6202 -14.6202 -12.8119 -12.8119 -12.7831 -12.7831 -12.4808 -12.4808 -12.4039 -12.4039 -11.6721 -11.6721 -11.5667 -11.5667 -11.4651 -11.4651 -11.4079 -11.4079 -11.3376 -11.3376 -10.6901 -10.6901 -10.4746 -10.4746 -7.5959 -7.5959 -7.3950 -7.3950 -6.9692 -6.9692 -4.9589 -4.9589 -4.8625 -4.8625 -3.4633 -3.4633 -2.1132 -2.1132 -1.6473 -1.6473 -1.5414 -1.5414 0.0580 0.0580 0.1296 0.1296 0.6170 0.6170 0.7114 0.7114 0.9852 0.9852 1.1127 1.1127 1.3622 1.3622 1.6020 1.6020 1.7917 1.7917 2.2993 2.2993 2.4818 2.4818 2.5764 2.5764 2.6085 2.6085 3.4440 3.4440 3.5455 3.5455 k = 0.2292 0.3969 0.3223 ( 12358 PWs) bands (ev): -27.7626 -27.7626 -27.7406 -27.7406 -14.6208 -14.6208 -12.8118 -12.8118 -12.7829 -12.7829 -12.4843 -12.4843 -12.3998 -12.3998 -11.6782 -11.6782 -11.5612 -11.5612 -11.4638 -11.4638 -11.4092 -11.4092 -11.3381 -11.3381 -10.6894 -10.6894 -10.4728 -10.4728 -7.5965 -7.5965 -7.3952 -7.3952 -6.9697 -6.9697 -4.9575 -4.9575 -4.8574 -4.8574 -3.4748 -3.4748 -2.1188 -2.1188 -1.6553 -1.6553 -1.5428 -1.5428 0.0573 0.0573 0.1314 0.1314 0.6226 0.6226 0.7032 0.7032 0.9772 0.9772 1.1156 1.1156 1.3779 1.3779 1.5962 1.5962 1.8055 1.8055 2.2671 2.2671 2.4716 2.4716 2.5826 2.5826 2.6125 2.6125 3.4787 3.4787 3.6219 3.6219 k = 0.2188 0.3789 0.3223 ( 12356 PWs) bands (ev): -27.7637 -27.7637 -27.7394 -27.7394 -14.6215 -14.6215 -12.8116 -12.8116 -12.7827 -12.7827 -12.4878 -12.4878 -12.3956 -12.3956 -11.6842 -11.6842 -11.5557 -11.5557 -11.4624 -11.4624 -11.4105 -11.4105 -11.3386 -11.3386 -10.6885 -10.6885 -10.4709 -10.4709 -7.5973 -7.5973 -7.3955 -7.3955 -6.9703 -6.9703 -4.9550 -4.9550 -4.8526 -4.8526 -3.4874 -3.4874 -2.1249 -2.1249 -1.6633 -1.6633 -1.5451 -1.5451 0.0571 0.0571 0.1326 0.1326 0.6281 0.6281 0.6947 0.6947 0.9697 0.9697 1.1182 1.1182 1.3948 1.3948 1.5901 1.5901 1.8195 1.8195 2.2313 2.2313 2.4663 2.4663 2.5893 2.5893 2.6192 2.6192 3.5163 3.5163 3.6999 3.6999 k = 0.2083 0.3608 0.3223 ( 12360 PWs) bands (ev): -27.7648 -27.7648 -27.7383 -27.7383 -14.6222 -14.6222 -12.8114 -12.8114 -12.7824 -12.7824 -12.4913 -12.4913 -12.3913 -12.3913 -11.6903 -11.6903 -11.5502 -11.5502 -11.4611 -11.4611 -11.4119 -11.4119 -11.3391 -11.3391 -10.6876 -10.6876 -10.4688 -10.4688 -7.5980 -7.5980 -7.3958 -7.3958 -6.9709 -6.9709 -4.9516 -4.9516 -4.8483 -4.8483 -3.5010 -3.5010 -2.1314 -2.1314 -1.6714 -1.6714 -1.5484 -1.5484 0.0575 0.0575 0.1334 0.1334 0.6317 0.6317 0.6877 0.6877 0.9626 0.9626 1.1206 1.1206 1.4124 1.4124 1.5842 1.5842 1.8336 1.8336 2.1939 2.1939 2.4656 2.4656 2.5964 2.5964 2.6272 2.6272 3.5567 3.5567 3.7792 3.7792 k = 0.1979 0.3428 0.3223 ( 12340 PWs) bands (ev): -27.7659 -27.7659 -27.7372 -27.7372 -14.6229 -14.6229 -12.8111 -12.8111 -12.7822 -12.7822 -12.4948 -12.4948 -12.3871 -12.3871 -11.6963 -11.6963 -11.5446 -11.5446 -11.4598 -11.4598 -11.4133 -11.4133 -11.3397 -11.3397 -10.6865 -10.6865 -10.4667 -10.4667 -7.5989 -7.5989 -7.3961 -7.3961 -6.9716 -6.9716 -4.9471 -4.9471 -4.8445 -4.8445 -3.5154 -3.5154 -2.1384 -2.1384 -1.6794 -1.6794 -1.5524 -1.5524 0.0586 0.0586 0.1336 0.1336 0.6305 0.6305 0.6853 0.6853 0.9559 0.9559 1.1227 1.1227 1.4298 1.4298 1.5791 1.5791 1.8476 1.8476 2.1565 2.1565 2.4689 2.4689 2.6035 2.6035 2.6360 2.6360 3.5998 3.5998 3.8596 3.8596 k = 0.1875 0.3248 0.3223 ( 12340 PWs) bands (ev): -27.7670 -27.7670 -27.7362 -27.7362 -14.6237 -14.6237 -12.8108 -12.8108 -12.7820 -12.7820 -12.4982 -12.4982 -12.3828 -12.3828 -11.7023 -11.7023 -11.5392 -11.5392 -11.4586 -11.4586 -11.4147 -11.4147 -11.3403 -11.3403 -10.6853 -10.6853 -10.4644 -10.4644 -7.5997 -7.5997 -7.3964 -7.3964 -6.9724 -6.9724 -4.9418 -4.9418 -4.8410 -4.8410 -3.5306 -3.5306 -2.1459 -2.1459 -1.6874 -1.6874 -1.5569 -1.5569 0.0602 0.0602 0.1334 0.1334 0.6228 0.6228 0.6893 0.6893 0.9496 0.9496 1.1247 1.1247 1.4458 1.4458 1.5758 1.5758 1.8611 1.8611 2.1203 2.1203 2.4752 2.4752 2.6103 2.6103 2.6456 2.6456 3.6456 3.6456 3.9406 3.9406 k = 0.1771 0.3067 0.3223 ( 12348 PWs) bands (ev): -27.7680 -27.7680 -27.7351 -27.7351 -14.6245 -14.6245 -12.8105 -12.8105 -12.7817 -12.7817 -12.5015 -12.5015 -12.3785 -12.3785 -11.7081 -11.7081 -11.5337 -11.5337 -11.4575 -11.4575 -11.4162 -11.4162 -11.3410 -11.3410 -10.6841 -10.6841 -10.4621 -10.4621 -7.6007 -7.6007 -7.3968 -7.3968 -6.9731 -6.9731 -4.9356 -4.9356 -4.8379 -4.8379 -3.5463 -3.5463 -2.1539 -2.1539 -1.6954 -1.6954 -1.5619 -1.5619 0.0623 0.0623 0.1327 0.1327 0.6100 0.6100 0.6985 0.6985 0.9437 0.9437 1.1266 1.1266 1.4587 1.4587 1.5758 1.5758 1.8739 1.8739 2.0864 2.0864 2.4839 2.4839 2.6164 2.6164 2.6560 2.6560 3.6939 3.6939 4.0220 4.0220 k = 0.1667 0.2887 0.3223 ( 12358 PWs) bands (ev): -27.7690 -27.7690 -27.7341 -27.7341 -14.6254 -14.6254 -12.8102 -12.8102 -12.7815 -12.7815 -12.5047 -12.5047 -12.3744 -12.3744 -11.7138 -11.7138 -11.5284 -11.5284 -11.4565 -11.4565 -11.4176 -11.4176 -11.3417 -11.3417 -10.6828 -10.6828 -10.4597 -10.4597 -7.6016 -7.6016 -7.3971 -7.3971 -6.9739 -6.9739 -4.9287 -4.9287 -4.8353 -4.8353 -3.5624 -3.5624 -2.1625 -2.1625 -1.7033 -1.7033 -1.5670 -1.5670 0.0649 0.0649 0.1318 0.1318 0.5945 0.5945 0.7107 0.7107 0.9379 0.9379 1.1282 1.1282 1.4667 1.4667 1.5804 1.5804 1.8855 1.8855 2.0558 2.0558 2.4943 2.4943 2.6218 2.6218 2.6672 2.6672 3.7445 3.7445 4.1033 4.1033 k = 0.1562 0.2706 0.3223 ( 12360 PWs) bands (ev): -27.7700 -27.7700 -27.7331 -27.7331 -14.6262 -14.6262 -12.8099 -12.8099 -12.7813 -12.7813 -12.5078 -12.5078 -12.3703 -12.3703 -11.7193 -11.7193 -11.5232 -11.5232 -11.4555 -11.4555 -11.4190 -11.4190 -11.3424 -11.3424 -10.6815 -10.6815 -10.4573 -10.4573 -7.6026 -7.6026 -7.3975 -7.3975 -6.9747 -6.9747 -4.9211 -4.9211 -4.8330 -4.8330 -3.5786 -3.5786 -2.1715 -2.1715 -1.7112 -1.7112 -1.5722 -1.5722 0.0679 0.0679 0.1305 0.1305 0.5775 0.5775 0.7249 0.7249 0.9324 0.9324 1.1295 1.1295 1.4690 1.4690 1.5900 1.5900 1.8952 1.8952 2.0297 2.0297 2.5059 2.5059 2.6265 2.6265 2.6792 2.6792 3.7973 3.7973 4.1842 4.1842 k = 0.1458 0.2526 0.3223 ( 12366 PWs) bands (ev): -27.7709 -27.7709 -27.7322 -27.7322 -14.6271 -14.6271 -12.8096 -12.8096 -12.7810 -12.7810 -12.5108 -12.5108 -12.3663 -12.3663 -11.7247 -11.7247 -11.5181 -11.5181 -11.4548 -11.4548 -11.4203 -11.4203 -11.3431 -11.3431 -10.6801 -10.6801 -10.4548 -10.4548 -7.6035 -7.6035 -7.3978 -7.3978 -6.9755 -6.9755 -4.9131 -4.9131 -4.8311 -4.8311 -3.5948 -3.5948 -2.1809 -2.1809 -1.7190 -1.7190 -1.5774 -1.5774 0.0712 0.0712 0.1291 0.1291 0.5598 0.5598 0.7404 0.7404 0.9270 0.9270 1.1305 1.1305 1.4665 1.4665 1.6032 1.6032 1.9017 1.9017 2.0100 2.0100 2.5183 2.5183 2.6305 2.6305 2.6917 2.6917 3.8519 3.8519 4.2639 4.2639 k = 0.1354 0.2345 0.3223 ( 12374 PWs) bands (ev): -27.7718 -27.7718 -27.7313 -27.7313 -14.6280 -14.6280 -12.8092 -12.8092 -12.7808 -12.7808 -12.5136 -12.5136 -12.3624 -12.3624 -11.7298 -11.7298 -11.5132 -11.5132 -11.4541 -11.4541 -11.4216 -11.4216 -11.3438 -11.3438 -10.6788 -10.6788 -10.4524 -10.4524 -7.6045 -7.6045 -7.3982 -7.3982 -6.9763 -6.9763 -4.9047 -4.9047 -4.8295 -4.8295 -3.6108 -3.6108 -2.1908 -2.1908 -1.7267 -1.7267 -1.5823 -1.5823 0.0749 0.0749 0.1275 0.1275 0.5419 0.5419 0.7569 0.7569 0.9218 0.9218 1.1311 1.1311 1.4607 1.4607 1.6178 1.6178 1.9036 1.9036 1.9985 1.9985 2.5311 2.5311 2.6339 2.6339 2.7047 2.7047 3.9082 3.9082 4.3419 4.3419 k = 0.1250 0.2165 0.3223 ( 12370 PWs) bands (ev): -27.7726 -27.7726 -27.7305 -27.7305 -14.6288 -14.6288 -12.8089 -12.8089 -12.7806 -12.7806 -12.5163 -12.5163 -12.3587 -12.3587 -11.7346 -11.7346 -11.5084 -11.5084 -11.4536 -11.4536 -11.4229 -11.4229 -11.3446 -11.3446 -10.6774 -10.6774 -10.4500 -10.4500 -7.6055 -7.6055 -7.3986 -7.3986 -6.9771 -6.9771 -4.8960 -4.8960 -4.8283 -4.8283 -3.6264 -3.6264 -2.2009 -2.2009 -1.7342 -1.7342 -1.5868 -1.5868 0.0787 0.0787 0.1258 0.1258 0.5241 0.5241 0.7741 0.7741 0.9168 0.9168 1.1311 1.1311 1.4529 1.4529 1.6319 1.6319 1.9007 1.9007 1.9959 1.9959 2.5438 2.5438 2.6367 2.6367 2.7179 2.7179 3.9657 3.9657 4.4167 4.4167 k = 0.1146 0.1985 0.3223 ( 12366 PWs) bands (ev): -27.7734 -27.7734 -27.7297 -27.7297 -14.6296 -14.6296 -12.8086 -12.8086 -12.7803 -12.7803 -12.5187 -12.5187 -12.3552 -12.3552 -11.7392 -11.7392 -11.5039 -11.5039 -11.4531 -11.4531 -11.4241 -11.4241 -11.3453 -11.3453 -10.6761 -10.6761 -10.4477 -10.4477 -7.6064 -7.6064 -7.3989 -7.3989 -6.9778 -6.9778 -4.8873 -4.8873 -4.8273 -4.8273 -3.6414 -3.6414 -2.2111 -2.2111 -1.7415 -1.7415 -1.5910 -1.5910 0.0827 0.0827 0.1240 0.1240 0.5067 0.5067 0.7917 0.7917 0.9121 0.9121 1.1304 1.1304 1.4440 1.4440 1.6439 1.6439 1.8954 1.8954 2.0002 2.0002 2.5562 2.5562 2.6391 2.6391 2.7312 2.7312 4.0239 4.0239 4.4848 4.4848 k = 0.1042 0.1804 0.3223 ( 12356 PWs) bands (ev): -27.7741 -27.7741 -27.7289 -27.7289 -14.6304 -14.6304 -12.8083 -12.8083 -12.7801 -12.7801 -12.5211 -12.5211 -12.3520 -12.3520 -11.7434 -11.7434 -11.4995 -11.4995 -11.4528 -11.4528 -11.4252 -11.4252 -11.3460 -11.3460 -10.6748 -10.6748 -10.4454 -10.4454 -7.6073 -7.6073 -7.3993 -7.3993 -6.9786 -6.9786 -4.8786 -4.8786 -4.8266 -4.8266 -3.6557 -3.6557 -2.2214 -2.2214 -1.7484 -1.7484 -1.5948 -1.5948 0.0866 0.0866 0.1223 0.1223 0.4901 0.4901 0.8094 0.8094 0.9080 0.9080 1.1290 1.1290 1.4346 1.4346 1.6527 1.6527 1.8908 1.8908 2.0087 2.0087 2.5679 2.5679 2.6412 2.6412 2.7444 2.7444 4.0825 4.0825 4.5322 4.5322 k = 0.0938 0.1624 0.3223 ( 12346 PWs) bands (ev): -27.7748 -27.7748 -27.7283 -27.7283 -14.6312 -14.6312 -12.8080 -12.8080 -12.7799 -12.7799 -12.5232 -12.5232 -12.3489 -12.3489 -11.7474 -11.7474 -11.4955 -11.4955 -11.4527 -11.4527 -11.4262 -11.4262 -11.3467 -11.3467 -10.6736 -10.6736 -10.4432 -10.4432 -7.6082 -7.6082 -7.3996 -7.3996 -6.9793 -6.9793 -4.8701 -4.8701 -4.8260 -4.8260 -3.6690 -3.6690 -2.2315 -2.2315 -1.7549 -1.7549 -1.5981 -1.5981 0.0905 0.0905 0.1207 0.1207 0.4745 0.4745 0.8266 0.8266 0.9048 0.9048 1.1267 1.1267 1.4252 1.4252 1.6579 1.6579 1.8884 1.8884 2.0194 2.0194 2.5788 2.5788 2.6431 2.6431 2.7572 2.7572 4.1406 4.1406 4.5405 4.5405 k = 0.0833 0.1443 0.3223 ( 12354 PWs) bands (ev): -27.7754 -27.7754 -27.7277 -27.7277 -14.6319 -14.6319 -12.8077 -12.8077 -12.7797 -12.7797 -12.5251 -12.5251 -12.3461 -12.3461 -11.7510 -11.7510 -11.4916 -11.4916 -11.4526 -11.4526 -11.4272 -11.4272 -11.3473 -11.3473 -10.6725 -10.6725 -10.4412 -10.4412 -7.6090 -7.6090 -7.3999 -7.3999 -6.9799 -6.9799 -4.8621 -4.8621 -4.8257 -4.8257 -3.6813 -3.6813 -2.2412 -2.2412 -1.7609 -1.7609 -1.6010 -1.6010 0.0943 0.0943 0.1192 0.1192 0.4600 0.4600 0.8426 0.8426 0.9031 0.9031 1.1233 1.1233 1.4161 1.4161 1.6597 1.6597 1.8886 1.8886 2.0313 2.0313 2.5886 2.5886 2.6448 2.6448 2.7694 2.7694 4.1977 4.1977 4.5321 4.5321 k = 0.0729 0.1263 0.3223 ( 12358 PWs) bands (ev): -27.7759 -27.7759 -27.7271 -27.7271 -14.6325 -14.6325 -12.8075 -12.8075 -12.7795 -12.7795 -12.5268 -12.5268 -12.3436 -12.3436 -11.7542 -11.7542 -11.4881 -11.4881 -11.4525 -11.4525 -11.4282 -11.4282 -11.3479 -11.3479 -10.6715 -10.6715 -10.4394 -10.4394 -7.6097 -7.6097 -7.4002 -7.4002 -6.9805 -6.9805 -4.8546 -4.8546 -4.8254 -4.8254 -3.6925 -3.6925 -2.2504 -2.2504 -1.7664 -1.7664 -1.6034 -1.6034 0.0977 0.0977 0.1180 0.1180 0.4468 0.4468 0.8557 0.8557 0.9045 0.9045 1.1189 1.1189 1.4075 1.4075 1.6587 1.6587 1.8910 1.8910 2.0435 2.0435 2.5972 2.5972 2.6465 2.6465 2.7808 2.7808 4.2528 4.2528 4.5212 4.5212 k = 0.0625 0.1083 0.3223 ( 12370 PWs) bands (ev): -27.7764 -27.7764 -27.7266 -27.7266 -14.6331 -14.6331 -12.8073 -12.8073 -12.7793 -12.7793 -12.5283 -12.5283 -12.3413 -12.3413 -11.7570 -11.7570 -11.4850 -11.4850 -11.4526 -11.4526 -11.4290 -11.4290 -11.3485 -11.3485 -10.6706 -10.6706 -10.4377 -10.4377 -7.6104 -7.6104 -7.4004 -7.4004 -6.9811 -6.9811 -4.8477 -4.8477 -4.8253 -4.8253 -3.7024 -3.7024 -2.2589 -2.2589 -1.7713 -1.7713 -1.6054 -1.6054 0.1006 0.1006 0.1170 0.1170 0.4351 0.4351 0.8639 0.8639 0.9107 0.9107 1.1135 1.1135 1.3998 1.3998 1.6559 1.6559 1.8947 1.8947 2.0555 2.0555 2.6043 2.6043 2.6483 2.6483 2.7912 2.7912 4.3048 4.3048 4.5109 4.5109 k = 0.0521 0.0902 0.3223 ( 12354 PWs) bands (ev): -27.7768 -27.7768 -27.7262 -27.7262 -14.6336 -14.6336 -12.8071 -12.8071 -12.7792 -12.7792 -12.5296 -12.5296 -12.3394 -12.3394 -11.7594 -11.7594 -11.4822 -11.4822 -11.4527 -11.4527 -11.4298 -11.4298 -11.3490 -11.3490 -10.6698 -10.6698 -10.4362 -10.4362 -7.6110 -7.6110 -7.4006 -7.4006 -6.9815 -6.9815 -4.8418 -4.8418 -4.8251 -4.8251 -3.7109 -3.7109 -2.2665 -2.2665 -1.7755 -1.7755 -1.6070 -1.6070 0.1030 0.1030 0.1164 0.1164 0.4250 0.4250 0.8672 0.8672 0.9215 0.9215 1.1072 1.1072 1.3930 1.3930 1.6523 1.6523 1.8989 1.8989 2.0668 2.0668 2.6101 2.6101 2.6502 2.6502 2.8004 2.8004 4.3526 4.3526 4.5020 4.5020 k = 0.0417 0.0722 0.3223 ( 12366 PWs) bands (ev): -27.7771 -27.7771 -27.7259 -27.7259 -14.6340 -14.6340 -12.8070 -12.8070 -12.7790 -12.7790 -12.5307 -12.5307 -12.3378 -12.3378 -11.7614 -11.7614 -11.4798 -11.4798 -11.4528 -11.4528 -11.4305 -11.4305 -11.3494 -11.3494 -10.6691 -10.6691 -10.4350 -10.4350 -7.6114 -7.6114 -7.4008 -7.4008 -6.9819 -6.9819 -4.8369 -4.8369 -4.8249 -4.8249 -3.7180 -3.7180 -2.2729 -2.2729 -1.7790 -1.7790 -1.6083 -1.6083 0.1047 0.1047 0.1162 0.1162 0.4167 0.4167 0.8678 0.8678 0.9344 0.9344 1.1002 1.1002 1.3873 1.3873 1.6484 1.6484 1.9030 1.9030 2.0769 2.0769 2.6144 2.6144 2.6521 2.6521 2.8082 2.8082 4.3945 4.3945 4.4948 4.4948 k = 0.0312 0.0541 0.3223 ( 12372 PWs) bands (ev): -27.7774 -27.7774 -27.7256 -27.7256 -14.6343 -14.6343 -12.8069 -12.8069 -12.7789 -12.7789 -12.5315 -12.5315 -12.3366 -12.3366 -11.7630 -11.7630 -11.4779 -11.4779 -11.4529 -11.4529 -11.4310 -11.4310 -11.3497 -11.3497 -10.6686 -10.6686 -10.4340 -10.4340 -7.6118 -7.6118 -7.4010 -7.4010 -6.9822 -6.9822 -4.8332 -4.8332 -4.8245 -4.8245 -3.7236 -3.7236 -2.2781 -2.2781 -1.7817 -1.7817 -1.6093 -1.6093 0.1058 0.1058 0.1164 0.1164 0.4101 0.4101 0.8672 0.8672 0.9471 0.9471 1.0930 1.0930 1.3828 1.3828 1.6449 1.6449 1.9065 1.9065 2.0852 2.0852 2.6174 2.6174 2.6539 2.6539 2.8144 2.8144 4.4288 4.4288 4.4898 4.4898 k = 0.0208 0.0361 0.3223 ( 12364 PWs) bands (ev): -27.7776 -27.7776 -27.7255 -27.7255 -14.6345 -14.6345 -12.8068 -12.8068 -12.7789 -12.7789 -12.5321 -12.5321 -12.3357 -12.3357 -11.7641 -11.7641 -11.4764 -11.4764 -11.4530 -11.4530 -11.4314 -11.4314 -11.3499 -11.3499 -10.6682 -10.6682 -10.4333 -10.4333 -7.6121 -7.6121 -7.4011 -7.4011 -6.9825 -6.9825 -4.8309 -4.8309 -4.8239 -4.8239 -3.7276 -3.7276 -2.2819 -2.2819 -1.7837 -1.7837 -1.6100 -1.6100 0.1063 0.1063 0.1168 0.1168 0.4053 0.4053 0.8665 0.8665 0.9580 0.9580 1.0865 1.0865 1.3796 1.3796 1.6422 1.6422 1.9092 1.9092 2.0915 2.0915 2.6194 2.6194 2.6553 2.6553 2.8189 2.8189 4.4532 4.4532 4.4878 4.4878 k = 0.0104 0.0180 0.3223 ( 12372 PWs) bands (ev): -27.7777 -27.7777 -27.7253 -27.7253 -14.6347 -14.6347 -12.8068 -12.8068 -12.7788 -12.7788 -12.5324 -12.5324 -12.3351 -12.3351 -11.7648 -11.7648 -11.4756 -11.4756 -11.4531 -11.4531 -11.4317 -11.4317 -11.3501 -11.3501 -10.6680 -10.6680 -10.4329 -10.4329 -7.6123 -7.6123 -7.4011 -7.4011 -6.9826 -6.9826 -4.8297 -4.8297 -4.8232 -4.8232 -3.7300 -3.7300 -2.2842 -2.2842 -1.7849 -1.7849 -1.6104 -1.6104 0.1065 0.1065 0.1171 0.1171 0.4024 0.4024 0.8659 0.8659 0.9655 0.9655 1.0818 1.0818 1.3777 1.3777 1.6405 1.6405 1.9108 1.9108 2.0954 2.0954 2.6205 2.6205 2.6563 2.6563 2.8217 2.8217 4.4654 4.4654 4.4897 4.4897 k = 0.0000 0.0000 0.3223 ( 12376 PWs) bands (ev): -27.7777 -27.7777 -27.7253 -27.7253 -14.6347 -14.6347 -12.8067 -12.8067 -12.7788 -12.7788 -12.5325 -12.5325 -12.3350 -12.3350 -11.7651 -11.7651 -11.4753 -11.4753 -11.4531 -11.4531 -11.4318 -11.4318 -11.3501 -11.3501 -10.6679 -10.6679 -10.4327 -10.4327 -7.6123 -7.6123 -7.4011 -7.4011 -6.9826 -6.9826 -4.8294 -4.8294 -4.8230 -4.8230 -3.7308 -3.7308 -2.2850 -2.2850 -1.7853 -1.7853 -1.6105 -1.6105 0.1066 0.1066 0.1172 0.1172 0.4015 0.4015 0.8657 0.8657 0.9682 0.9682 1.0800 1.0800 1.3770 1.3770 1.6399 1.6399 1.9114 1.9114 2.0967 2.0967 2.6209 2.6209 2.6566 2.6566 2.8226 2.8226 4.4682 4.4682 4.4918 4.4918 k = 0.5000 0.2887 0.3223 ( 12340 PWs) bands (ev): -27.7603 -27.7603 -27.7429 -27.7429 -14.6197 -14.6197 -12.8130 -12.8130 -12.7822 -12.7822 -12.4763 -12.4763 -12.4091 -12.4091 -11.6629 -11.6629 -11.5810 -11.5810 -11.4507 -11.4507 -11.4166 -11.4166 -11.3375 -11.3375 -10.6929 -10.6929 -10.4735 -10.4735 -7.5956 -7.5956 -7.3948 -7.3948 -6.9687 -6.9687 -5.0047 -5.0047 -4.8196 -4.8196 -3.4473 -3.4473 -2.1364 -2.1364 -1.6508 -1.6508 -1.5069 -1.5069 0.0338 0.0338 0.1596 0.1596 0.5957 0.5957 0.7398 0.7398 0.9827 0.9827 1.1068 1.1068 1.2955 1.2955 1.6446 1.6446 1.8347 1.8347 2.2813 2.2813 2.4639 2.4639 2.5693 2.5693 2.7042 2.7042 3.1548 3.1548 3.6962 3.6962 k = 0.5000 0.2887 0.3022 ( 12330 PWs) bands (ev): -27.7603 -27.7603 -27.7429 -27.7429 -14.6197 -14.6197 -12.8130 -12.8130 -12.7822 -12.7822 -12.4763 -12.4763 -12.4091 -12.4091 -11.6629 -11.6629 -11.5810 -11.5810 -11.4507 -11.4507 -11.4166 -11.4166 -11.3375 -11.3375 -10.6929 -10.6929 -10.4735 -10.4735 -7.5956 -7.5956 -7.3948 -7.3948 -6.9687 -6.9687 -5.0047 -5.0047 -4.8196 -4.8196 -3.4473 -3.4473 -2.1364 -2.1364 -1.6508 -1.6508 -1.5069 -1.5069 0.0336 0.0336 0.1596 0.1596 0.5957 0.5957 0.7401 0.7401 0.9827 0.9827 1.1067 1.1067 1.2955 1.2955 1.6446 1.6446 1.8348 1.8348 2.2819 2.2819 2.4640 2.4640 2.5691 2.5691 2.7041 2.7041 3.1541 3.1541 3.6964 3.6964 k = 0.5000 0.2887 0.2821 ( 12342 PWs) bands (ev): -27.7603 -27.7603 -27.7429 -27.7429 -14.6197 -14.6197 -12.8130 -12.8130 -12.7822 -12.7822 -12.4763 -12.4763 -12.4091 -12.4091 -11.6629 -11.6629 -11.5810 -11.5810 -11.4507 -11.4507 -11.4166 -11.4166 -11.3375 -11.3375 -10.6930 -10.6930 -10.4735 -10.4735 -7.5956 -7.5956 -7.3948 -7.3948 -6.9687 -6.9687 -5.0047 -5.0047 -4.8196 -4.8196 -3.4473 -3.4473 -2.1364 -2.1364 -1.6508 -1.6508 -1.5069 -1.5069 0.0331 0.0331 0.1597 0.1597 0.5958 0.5958 0.7410 0.7410 0.9828 0.9828 1.1063 1.1063 1.2953 1.2953 1.6445 1.6445 1.8348 1.8348 2.2839 2.2839 2.4641 2.4641 2.5685 2.5685 2.7040 2.7040 3.1520 3.1520 3.6969 3.6969 k = 0.5000 0.2887 0.2619 ( 12340 PWs) bands (ev): -27.7603 -27.7603 -27.7429 -27.7429 -14.6197 -14.6197 -12.8131 -12.8131 -12.7822 -12.7822 -12.4763 -12.4763 -12.4091 -12.4091 -11.6629 -11.6629 -11.5809 -11.5809 -11.4508 -11.4508 -11.4166 -11.4166 -11.3375 -11.3375 -10.6930 -10.6930 -10.4735 -10.4735 -7.5956 -7.5956 -7.3948 -7.3948 -6.9687 -6.9687 -5.0046 -5.0046 -4.8196 -4.8196 -3.4474 -3.4474 -2.1364 -2.1364 -1.6508 -1.6508 -1.5069 -1.5069 0.0323 0.0323 0.1597 0.1597 0.5959 0.5959 0.7423 0.7423 0.9829 0.9829 1.1057 1.1057 1.2950 1.2950 1.6443 1.6443 1.8349 1.8349 2.2871 2.2871 2.4643 2.4643 2.5674 2.5674 2.7038 2.7038 3.1488 3.1488 3.6977 3.6977 k = 0.5000 0.2887 0.2418 ( 12340 PWs) bands (ev): -27.7603 -27.7603 -27.7429 -27.7429 -14.6197 -14.6197 -12.8131 -12.8131 -12.7822 -12.7822 -12.4763 -12.4763 -12.4091 -12.4091 -11.6629 -11.6629 -11.5809 -11.5809 -11.4508 -11.4508 -11.4166 -11.4166 -11.3375 -11.3375 -10.6930 -10.6930 -10.4735 -10.4735 -7.5956 -7.5956 -7.3948 -7.3948 -6.9687 -6.9687 -5.0046 -5.0046 -4.8196 -4.8196 -3.4474 -3.4474 -2.1364 -2.1364 -1.6508 -1.6508 -1.5069 -1.5069 0.0312 0.0312 0.1597 0.1597 0.5960 0.5960 0.7442 0.7442 0.9830 0.9830 1.1049 1.1049 1.2945 1.2945 1.6441 1.6441 1.8350 1.8350 2.2915 2.2915 2.4645 2.4645 2.5660 2.5660 2.7035 2.7035 3.1444 3.1444 3.6989 3.6989 k = 0.5000 0.2887 0.2216 ( 12348 PWs) bands (ev): -27.7603 -27.7603 -27.7429 -27.7429 -14.6197 -14.6197 -12.8131 -12.8131 -12.7822 -12.7822 -12.4763 -12.4763 -12.4091 -12.4091 -11.6630 -11.6630 -11.5809 -11.5809 -11.4508 -11.4508 -11.4166 -11.4166 -11.3375 -11.3375 -10.6930 -10.6930 -10.4735 -10.4735 -7.5956 -7.5956 -7.3948 -7.3948 -6.9687 -6.9687 -5.0045 -5.0045 -4.8196 -4.8196 -3.4475 -3.4475 -2.1365 -2.1365 -1.6508 -1.6508 -1.5069 -1.5069 0.0300 0.0300 0.1598 0.1598 0.5962 0.5962 0.7465 0.7465 0.9832 0.9832 1.1038 1.1038 1.2940 1.2940 1.6439 1.6439 1.8351 1.8351 2.2969 2.2969 2.4649 2.4649 2.5642 2.5642 2.7032 2.7032 3.1390 3.1390 3.7002 3.7002 k = 0.5000 0.2887 0.2015 ( 12346 PWs) bands (ev): -27.7603 -27.7603 -27.7429 -27.7429 -14.6197 -14.6197 -12.8131 -12.8131 -12.7822 -12.7822 -12.4764 -12.4764 -12.4091 -12.4091 -11.6630 -11.6630 -11.5808 -11.5808 -11.4509 -11.4509 -11.4165 -11.4165 -11.3375 -11.3375 -10.6930 -10.6930 -10.4736 -10.4736 -7.5956 -7.5956 -7.3948 -7.3948 -6.9687 -6.9687 -5.0044 -5.0044 -4.8196 -4.8196 -3.4475 -3.4475 -2.1365 -2.1365 -1.6508 -1.6508 -1.5069 -1.5069 0.0285 0.0285 0.1599 0.1599 0.5964 0.5964 0.7491 0.7491 0.9834 0.9834 1.1027 1.1027 1.2933 1.2933 1.6436 1.6436 1.8352 1.8352 2.3033 2.3033 2.4652 2.4652 2.5620 2.5620 2.7028 2.7028 3.1330 3.1330 3.7017 3.7017 k = 0.5000 0.2887 0.1813 ( 12342 PWs) bands (ev): -27.7603 -27.7603 -27.7429 -27.7429 -14.6197 -14.6197 -12.8131 -12.8131 -12.7822 -12.7822 -12.4764 -12.4764 -12.4090 -12.4090 -11.6630 -11.6630 -11.5808 -11.5808 -11.4509 -11.4509 -11.4165 -11.4165 -11.3375 -11.3375 -10.6930 -10.6930 -10.4736 -10.4736 -7.5956 -7.5956 -7.3948 -7.3948 -6.9687 -6.9687 -5.0043 -5.0043 -4.8197 -4.8197 -3.4476 -3.4476 -2.1365 -2.1365 -1.6508 -1.6508 -1.5069 -1.5069 0.0269 0.0269 0.1600 0.1600 0.5967 0.5967 0.7520 0.7520 0.9836 0.9836 1.1015 1.1015 1.2924 1.2924 1.6433 1.6433 1.8353 1.8353 2.3105 2.3105 2.4657 2.4657 2.5594 2.5594 2.7024 2.7024 3.1265 3.1265 3.7033 3.7033 k = 0.5000 0.2887 0.1612 ( 12354 PWs) bands (ev): -27.7603 -27.7603 -27.7429 -27.7429 -14.6197 -14.6197 -12.8131 -12.8131 -12.7822 -12.7822 -12.4764 -12.4764 -12.4090 -12.4090 -11.6630 -11.6630 -11.5807 -11.5807 -11.4510 -11.4510 -11.4165 -11.4165 -11.3375 -11.3375 -10.6930 -10.6930 -10.4736 -10.4736 -7.5956 -7.5956 -7.3948 -7.3948 -6.9687 -6.9687 -5.0042 -5.0042 -4.8197 -4.8197 -3.4477 -3.4477 -2.1366 -2.1366 -1.6508 -1.6508 -1.5069 -1.5069 0.0252 0.0252 0.1600 0.1600 0.5969 0.5969 0.7550 0.7550 0.9839 0.9839 1.1002 1.1002 1.2915 1.2915 1.6429 1.6429 1.8354 1.8354 2.3182 2.3182 2.4662 2.4662 2.5566 2.5566 2.7020 2.7020 3.1198 3.1198 3.7050 3.7050 k = 0.5000 0.2887 0.1410 ( 12360 PWs) bands (ev): -27.7603 -27.7603 -27.7429 -27.7429 -14.6197 -14.6197 -12.8131 -12.8131 -12.7822 -12.7822 -12.4764 -12.4764 -12.4090 -12.4090 -11.6630 -11.6630 -11.5807 -11.5807 -11.4510 -11.4510 -11.4164 -11.4164 -11.3376 -11.3376 -10.6930 -10.6930 -10.4736 -10.4736 -7.5956 -7.5956 -7.3948 -7.3948 -6.9687 -6.9687 -5.0041 -5.0041 -4.8197 -4.8197 -3.4478 -3.4478 -2.1366 -2.1366 -1.6508 -1.6508 -1.5069 -1.5069 0.0236 0.0236 0.1601 0.1601 0.5971 0.5971 0.7581 0.7581 0.9842 0.9842 1.0989 1.0989 1.2905 1.2905 1.6425 1.6425 1.8355 1.8355 2.3262 2.3262 2.4667 2.4667 2.5535 2.5535 2.7016 2.7016 3.1132 3.1132 3.7066 3.7066 k = 0.5000 0.2887 0.1209 ( 12344 PWs) bands (ev): -27.7603 -27.7603 -27.7429 -27.7429 -14.6197 -14.6197 -12.8131 -12.8131 -12.7822 -12.7822 -12.4764 -12.4764 -12.4090 -12.4090 -11.6630 -11.6630 -11.5807 -11.5807 -11.4511 -11.4511 -11.4164 -11.4164 -11.3376 -11.3376 -10.6930 -10.6930 -10.4736 -10.4736 -7.5956 -7.5956 -7.3948 -7.3948 -6.9687 -6.9687 -5.0040 -5.0040 -4.8197 -4.8197 -3.4478 -3.4478 -2.1366 -2.1366 -1.6508 -1.6508 -1.5069 -1.5069 0.0220 0.0220 0.1602 0.1602 0.5973 0.5973 0.7611 0.7611 0.9845 0.9845 1.0976 1.0976 1.2895 1.2895 1.6421 1.6421 1.8356 1.8356 2.3342 2.3342 2.4673 2.4673 2.5503 2.5503 2.7012 2.7012 3.1069 3.1069 3.7081 3.7081 k = 0.5000 0.2887 0.1007 ( 12356 PWs) bands (ev): -27.7603 -27.7603 -27.7429 -27.7429 -14.6197 -14.6197 -12.8131 -12.8131 -12.7822 -12.7822 -12.4764 -12.4764 -12.4090 -12.4090 -11.6630 -11.6630 -11.5806 -11.5806 -11.4511 -11.4511 -11.4164 -11.4164 -11.3376 -11.3376 -10.6930 -10.6930 -10.4736 -10.4736 -7.5956 -7.5956 -7.3948 -7.3948 -6.9687 -6.9687 -5.0039 -5.0039 -4.8198 -4.8198 -3.4479 -3.4479 -2.1366 -2.1366 -1.6508 -1.6508 -1.5069 -1.5069 0.0206 0.0206 0.1603 0.1603 0.5975 0.5975 0.7638 0.7638 0.9849 0.9849 1.0964 1.0964 1.2885 1.2885 1.6417 1.6417 1.8357 1.8357 2.3418 2.3418 2.4678 2.4678 2.5470 2.5470 2.7008 2.7008 3.1011 3.1011 3.7095 3.7095 k = 0.5000 0.2887 0.0806 ( 12350 PWs) bands (ev): -27.7603 -27.7603 -27.7429 -27.7429 -14.6197 -14.6197 -12.8131 -12.8131 -12.7822 -12.7822 -12.4764 -12.4764 -12.4090 -12.4090 -11.6630 -11.6630 -11.5806 -11.5806 -11.4511 -11.4511 -11.4164 -11.4164 -11.3376 -11.3376 -10.6930 -10.6930 -10.4736 -10.4736 -7.5956 -7.5956 -7.3948 -7.3948 -6.9687 -6.9687 -5.0039 -5.0039 -4.8198 -4.8198 -3.4480 -3.4480 -2.1367 -2.1367 -1.6508 -1.6508 -1.5069 -1.5069 0.0193 0.0193 0.1603 0.1603 0.5977 0.5977 0.7663 0.7663 0.9851 0.9851 1.0954 1.0954 1.2876 1.2876 1.6414 1.6414 1.8358 1.8358 2.3488 2.3488 2.4684 2.4684 2.5439 2.5439 2.7005 2.7005 3.0960 3.0960 3.7107 3.7107 k = 0.5000 0.2887 0.0604 ( 12352 PWs) bands (ev): -27.7603 -27.7603 -27.7429 -27.7429 -14.6197 -14.6197 -12.8131 -12.8131 -12.7822 -12.7822 -12.4764 -12.4764 -12.4090 -12.4090 -11.6630 -11.6630 -11.5806 -11.5806 -11.4512 -11.4512 -11.4163 -11.4163 -11.3376 -11.3376 -10.6930 -10.6930 -10.4736 -10.4736 -7.5956 -7.5956 -7.3948 -7.3948 -6.9687 -6.9687 -5.0038 -5.0038 -4.8198 -4.8198 -3.4480 -3.4480 -2.1367 -2.1367 -1.6508 -1.6508 -1.5069 -1.5069 0.0183 0.0183 0.1604 0.1604 0.5978 0.5978 0.7683 0.7683 0.9854 0.9854 1.0946 1.0946 1.2868 1.2868 1.6411 1.6411 1.8359 1.8359 2.3547 2.3547 2.4690 2.4690 2.5411 2.5411 2.7002 2.7002 3.0919 3.0919 3.7117 3.7117 k = 0.5000 0.2887 0.0403 ( 12348 PWs) bands (ev): -27.7603 -27.7603 -27.7429 -27.7429 -14.6197 -14.6197 -12.8131 -12.8131 -12.7822 -12.7822 -12.4764 -12.4764 -12.4090 -12.4090 -11.6630 -11.6630 -11.5805 -11.5805 -11.4512 -11.4512 -11.4163 -11.4163 -11.3376 -11.3376 -10.6930 -10.6930 -10.4736 -10.4736 -7.5956 -7.5956 -7.3948 -7.3948 -6.9687 -6.9687 -5.0038 -5.0038 -4.8198 -4.8198 -3.4480 -3.4480 -2.1367 -2.1367 -1.6508 -1.6508 -1.5069 -1.5069 0.0175 0.0175 0.1604 0.1604 0.5979 0.5979 0.7699 0.7699 0.9856 0.9856 1.0939 1.0939 1.2862 1.2862 1.6409 1.6409 1.8359 1.8359 2.3593 2.3593 2.4694 2.4694 2.5388 2.5388 2.7000 2.7000 3.0889 3.0889 3.7124 3.7124 k = 0.5000 0.2887 0.0201 ( 12354 PWs) bands (ev): -27.7603 -27.7603 -27.7429 -27.7429 -14.6197 -14.6197 -12.8131 -12.8131 -12.7822 -12.7822 -12.4764 -12.4764 -12.4090 -12.4090 -11.6630 -11.6630 -11.5805 -11.5805 -11.4512 -11.4512 -11.4163 -11.4163 -11.3376 -11.3376 -10.6930 -10.6930 -10.4736 -10.4736 -7.5956 -7.5956 -7.3948 -7.3948 -6.9687 -6.9687 -5.0037 -5.0037 -4.8198 -4.8198 -3.4481 -3.4481 -2.1367 -2.1367 -1.6508 -1.6508 -1.5069 -1.5069 0.0171 0.0171 0.1604 0.1604 0.5980 0.5980 0.7708 0.7708 0.9857 0.9857 1.0936 1.0936 1.2859 1.2859 1.6407 1.6407 1.8359 1.8359 2.3621 2.3621 2.4697 2.4697 2.5374 2.5374 2.6999 2.6999 3.0870 3.0870 3.7128 3.7129 k = 0.5000 0.2887-0.0000 ( 12350 PWs) bands (ev): -27.7603 -27.7603 -27.7429 -27.7429 -14.6197 -14.6197 -12.8131 -12.8131 -12.7822 -12.7822 -12.4764 -12.4764 -12.4090 -12.4090 -11.6630 -11.6630 -11.5805 -11.5805 -11.4512 -11.4512 -11.4163 -11.4163 -11.3376 -11.3376 -10.6930 -10.6930 -10.4736 -10.4736 -7.5956 -7.5956 -7.3948 -7.3948 -6.9687 -6.9687 -5.0037 -5.0037 -4.8198 -4.8198 -3.4481 -3.4481 -2.1367 -2.1367 -1.6508 -1.6508 -1.5069 -1.5069 0.0169 0.0169 0.1604 0.1604 0.5980 0.5980 0.7711 0.7711 0.9858 0.9858 1.0934 1.0934 1.2857 1.2857 1.6407 1.6407 1.8359 1.8359 2.3631 2.3631 2.4698 2.4698 2.5369 2.5369 2.6999 2.6999 3.0864 3.0864 3.7130 3.7130 k = 0.3333 0.5774-0.0000 ( 12405 PWs) bands (ev): -27.7516 -27.7516 -27.7516 -27.7516 -14.6178 -14.6178 -12.8124 -12.8124 -12.7843 -12.7843 -12.4594 -12.4594 -12.4278 -12.4278 -11.6332 -11.6332 -11.6018 -11.6018 -11.4728 -11.4728 -11.4015 -11.4015 -11.3361 -11.3361 -10.6926 -10.6926 -10.4828 -10.4828 -7.5931 -7.5931 -7.3939 -7.3939 -6.9670 -6.9670 -4.9328 -4.9328 -4.9148 -4.9148 -3.4170 -3.4170 -2.0868 -2.0868 -1.5841 -1.5841 -1.5685 -1.5685 0.0770 0.0770 0.0886 0.0886 0.5952 0.5952 0.7589 0.7589 1.0469 1.0469 1.0762 1.0762 1.2764 1.2764 1.6244 1.6244 1.7407 1.7407 2.4493 2.4493 2.4931 2.4931 2.5125 2.5125 3.0023 3.0023 3.0102 3.0102 3.2341 3.2341 k = 0.3333 0.5774 0.0201 ( 12396 PWs) bands (ev): -27.7516 -27.7516 -27.7516 -27.7516 -14.6178 -14.6178 -12.8124 -12.8124 -12.7843 -12.7843 -12.4594 -12.4594 -12.4278 -12.4278 -11.6332 -11.6332 -11.6018 -11.6018 -11.4728 -11.4728 -11.4015 -11.4015 -11.3361 -11.3361 -10.6926 -10.6926 -10.4828 -10.4828 -7.5931 -7.5931 -7.3939 -7.3939 -6.9670 -6.9670 -4.9328 -4.9328 -4.9148 -4.9148 -3.4170 -3.4170 -2.0868 -2.0868 -1.5841 -1.5841 -1.5686 -1.5686 0.0771 0.0771 0.0887 0.0887 0.5952 0.5952 0.7587 0.7587 1.0470 1.0470 1.0762 1.0762 1.2766 1.2766 1.6244 1.6244 1.7406 1.7406 2.4493 2.4493 2.4930 2.4930 2.5125 2.5125 3.0018 3.0018 3.0098 3.0098 3.2345 3.2345 k = 0.3333 0.5774 0.0403 ( 12390 PWs) bands (ev): -27.7516 -27.7516 -27.7516 -27.7516 -14.6178 -14.6178 -12.8124 -12.8124 -12.7843 -12.7843 -12.4594 -12.4594 -12.4278 -12.4278 -11.6333 -11.6333 -11.6018 -11.6018 -11.4728 -11.4728 -11.4015 -11.4015 -11.3361 -11.3361 -10.6926 -10.6926 -10.4828 -10.4828 -7.5931 -7.5931 -7.3939 -7.3939 -6.9670 -6.9670 -4.9328 -4.9328 -4.9148 -4.9148 -3.4170 -3.4170 -2.0868 -2.0868 -1.5841 -1.5841 -1.5686 -1.5686 0.0774 0.0774 0.0889 0.0889 0.5952 0.5952 0.7582 0.7582 1.0471 1.0471 1.0762 1.0762 1.2774 1.2774 1.6243 1.6243 1.7401 1.7401 2.4491 2.4491 2.4928 2.4928 2.5124 2.5124 3.0003 3.0003 3.0088 3.0088 3.2356 3.2356 k = 0.3333 0.5774 0.0604 ( 12414 PWs) bands (ev): -27.7516 -27.7516 -27.7516 -27.7516 -14.6178 -14.6178 -12.8124 -12.8124 -12.7843 -12.7843 -12.4594 -12.4594 -12.4278 -12.4278 -11.6333 -11.6333 -11.6018 -11.6018 -11.4729 -11.4729 -11.4015 -11.4015 -11.3361 -11.3361 -10.6926 -10.6926 -10.4828 -10.4828 -7.5931 -7.5931 -7.3939 -7.3939 -6.9670 -6.9670 -4.9328 -4.9328 -4.9148 -4.9148 -3.4170 -3.4170 -2.0868 -2.0868 -1.5841 -1.5841 -1.5686 -1.5686 0.0778 0.0778 0.0893 0.0893 0.5953 0.5953 0.7572 0.7572 1.0472 1.0472 1.0762 1.0762 1.2787 1.2787 1.6241 1.6241 1.7393 1.7393 2.4488 2.4488 2.4925 2.4925 2.5123 2.5123 2.9980 2.9980 3.0071 3.0071 3.2375 3.2375 k = 0.3333 0.5774 0.0806 ( 12411 PWs) bands (ev): -27.7516 -27.7516 -27.7516 -27.7516 -14.6178 -14.6178 -12.8124 -12.8124 -12.7843 -12.7843 -12.4594 -12.4594 -12.4278 -12.4278 -11.6333 -11.6333 -11.6018 -11.6018 -11.4729 -11.4729 -11.4015 -11.4015 -11.3361 -11.3361 -10.6926 -10.6926 -10.4828 -10.4828 -7.5931 -7.5931 -7.3939 -7.3939 -6.9670 -6.9670 -4.9328 -4.9328 -4.9148 -4.9148 -3.4170 -3.4170 -2.0868 -2.0868 -1.5841 -1.5841 -1.5686 -1.5686 0.0783 0.0783 0.0898 0.0898 0.5954 0.5954 0.7560 0.7560 1.0474 1.0474 1.0762 1.0762 1.2804 1.2804 1.6239 1.6239 1.7383 1.7383 2.4485 2.4485 2.4920 2.4920 2.5121 2.5121 2.9948 2.9948 3.0048 3.0048 3.2400 3.2400 k = 0.3333 0.5774 0.1007 ( 12402 PWs) bands (ev): -27.7516 -27.7516 -27.7516 -27.7516 -14.6178 -14.6178 -12.8124 -12.8124 -12.7843 -12.7843 -12.4594 -12.4594 -12.4278 -12.4278 -11.6333 -11.6333 -11.6018 -11.6018 -11.4729 -11.4729 -11.4016 -11.4016 -11.3360 -11.3360 -10.6926 -10.6926 -10.4828 -10.4828 -7.5931 -7.5931 -7.3939 -7.3939 -6.9670 -6.9670 -4.9329 -4.9329 -4.9148 -4.9148 -3.4170 -3.4170 -2.0867 -2.0867 -1.5841 -1.5841 -1.5686 -1.5686 0.0789 0.0789 0.0904 0.0904 0.5955 0.5955 0.7544 0.7544 1.0477 1.0477 1.0762 1.0762 1.2824 1.2824 1.6237 1.6237 1.7370 1.7370 2.4481 2.4481 2.4914 2.4914 2.5119 2.5119 2.9910 2.9910 3.0020 3.0020 3.2430 3.2430 k = 0.3333 0.5774 0.1209 ( 12405 PWs) bands (ev): -27.7516 -27.7516 -27.7516 -27.7516 -14.6178 -14.6178 -12.8124 -12.8124 -12.7843 -12.7843 -12.4594 -12.4594 -12.4278 -12.4278 -11.6333 -11.6333 -11.6018 -11.6018 -11.4729 -11.4729 -11.4016 -11.4016 -11.3360 -11.3360 -10.6926 -10.6926 -10.4827 -10.4827 -7.5931 -7.5931 -7.3939 -7.3939 -6.9670 -6.9670 -4.9329 -4.9329 -4.9149 -4.9149 -3.4170 -3.4170 -2.0867 -2.0867 -1.5841 -1.5841 -1.5686 -1.5686 0.0796 0.0796 0.0911 0.0911 0.5956 0.5956 0.7527 0.7527 1.0480 1.0480 1.0763 1.0763 1.2846 1.2846 1.6234 1.6234 1.7356 1.7356 2.4476 2.4476 2.4907 2.4907 2.5116 2.5116 2.9866 2.9866 2.9988 2.9988 3.2465 3.2465 k = 0.3333 0.5774 0.1410 ( 12375 PWs) bands (ev): -27.7516 -27.7516 -27.7516 -27.7516 -14.6178 -14.6178 -12.8124 -12.8124 -12.7843 -12.7843 -12.4594 -12.4594 -12.4278 -12.4278 -11.6334 -11.6334 -11.6018 -11.6018 -11.4729 -11.4729 -11.4016 -11.4016 -11.3360 -11.3360 -10.6926 -10.6926 -10.4827 -10.4827 -7.5931 -7.5931 -7.3939 -7.3939 -6.9670 -6.9670 -4.9329 -4.9329 -4.9149 -4.9149 -3.4170 -3.4170 -2.0867 -2.0867 -1.5841 -1.5841 -1.5686 -1.5686 0.0804 0.0804 0.0919 0.0919 0.5957 0.5957 0.7508 0.7508 1.0483 1.0483 1.0764 1.0764 1.2870 1.2870 1.6231 1.6231 1.7340 1.7340 2.4471 2.4471 2.4900 2.4900 2.5114 2.5114 2.9819 2.9819 2.9955 2.9955 3.2504 3.2504 k = 0.3333 0.5774 0.1612 ( 12393 PWs) bands (ev): -27.7516 -27.7516 -27.7516 -27.7516 -14.6178 -14.6178 -12.8124 -12.8124 -12.7843 -12.7843 -12.4594 -12.4594 -12.4278 -12.4278 -11.6334 -11.6334 -11.6018 -11.6018 -11.4729 -11.4729 -11.4016 -11.4016 -11.3359 -11.3359 -10.6926 -10.6926 -10.4827 -10.4827 -7.5931 -7.5931 -7.3939 -7.3939 -6.9670 -6.9670 -4.9330 -4.9330 -4.9150 -4.9150 -3.4170 -3.4170 -2.0866 -2.0866 -1.5841 -1.5841 -1.5687 -1.5687 0.0813 0.0813 0.0927 0.0927 0.5959 0.5959 0.7488 0.7488 1.0487 1.0487 1.0766 1.0766 1.2895 1.2895 1.6227 1.6227 1.7323 1.7323 2.4465 2.4465 2.4892 2.4892 2.5111 2.5111 2.9771 2.9771 2.9920 2.9920 3.2544 3.2544 k = 0.3333 0.5774 0.1813 ( 12384 PWs) bands (ev): -27.7516 -27.7516 -27.7516 -27.7516 -14.6178 -14.6178 -12.8123 -12.8123 -12.7843 -12.7843 -12.4594 -12.4594 -12.4278 -12.4278 -11.6334 -11.6334 -11.6018 -11.6018 -11.4729 -11.4729 -11.4016 -11.4016 -11.3359 -11.3359 -10.6926 -10.6926 -10.4827 -10.4827 -7.5931 -7.5931 -7.3939 -7.3939 -6.9670 -6.9670 -4.9330 -4.9330 -4.9150 -4.9150 -3.4170 -3.4170 -2.0866 -2.0866 -1.5841 -1.5841 -1.5687 -1.5687 0.0821 0.0821 0.0935 0.0935 0.5960 0.5960 0.7469 0.7469 1.0490 1.0490 1.0768 1.0768 1.2919 1.2919 1.6224 1.6224 1.7306 1.7306 2.4460 2.4460 2.4885 2.4885 2.5109 2.5109 2.9724 2.9724 2.9885 2.9885 3.2585 3.2585 k = 0.3333 0.5774 0.2015 ( 12369 PWs) bands (ev): -27.7516 -27.7516 -27.7516 -27.7516 -14.6178 -14.6178 -12.8123 -12.8123 -12.7843 -12.7843 -12.4594 -12.4594 -12.4278 -12.4278 -11.6335 -11.6335 -11.6018 -11.6018 -11.4729 -11.4729 -11.4016 -11.4016 -11.3359 -11.3359 -10.6926 -10.6926 -10.4827 -10.4827 -7.5931 -7.5931 -7.3939 -7.3939 -6.9670 -6.9670 -4.9331 -4.9331 -4.9150 -4.9150 -3.4170 -3.4170 -2.0866 -2.0866 -1.5841 -1.5841 -1.5687 -1.5687 0.0829 0.0829 0.0942 0.0942 0.5962 0.5962 0.7450 0.7450 1.0493 1.0493 1.0770 1.0770 1.2942 1.2942 1.6221 1.6221 1.7290 1.7290 2.4455 2.4455 2.4877 2.4877 2.5106 2.5106 2.9678 2.9678 2.9852 2.9852 3.2625 3.2625 k = 0.3333 0.5774 0.2216 ( 12369 PWs) bands (ev): -27.7516 -27.7516 -27.7516 -27.7516 -14.6178 -14.6178 -12.8123 -12.8123 -12.7843 -12.7843 -12.4594 -12.4594 -12.4278 -12.4278 -11.6335 -11.6335 -11.6018 -11.6018 -11.4729 -11.4729 -11.4016 -11.4016 -11.3358 -11.3358 -10.6925 -10.6925 -10.4827 -10.4827 -7.5931 -7.5931 -7.3939 -7.3939 -6.9670 -6.9670 -4.9331 -4.9331 -4.9151 -4.9151 -3.4170 -3.4170 -2.0865 -2.0865 -1.5841 -1.5841 -1.5687 -1.5687 0.0836 0.0836 0.0949 0.0949 0.5963 0.5963 0.7432 0.7432 1.0496 1.0496 1.0772 1.0772 1.2962 1.2962 1.6218 1.6218 1.7275 1.7275 2.4451 2.4451 2.4870 2.4870 2.5104 2.5104 2.9637 2.9637 2.9822 2.9822 3.2662 3.2662 k = 0.3333 0.5774 0.2418 ( 12384 PWs) bands (ev): -27.7516 -27.7516 -27.7516 -27.7516 -14.6178 -14.6178 -12.8123 -12.8123 -12.7843 -12.7843 -12.4594 -12.4594 -12.4278 -12.4278 -11.6335 -11.6335 -11.6018 -11.6018 -11.4729 -11.4729 -11.4016 -11.4016 -11.3358 -11.3358 -10.6925 -10.6925 -10.4827 -10.4827 -7.5931 -7.5931 -7.3939 -7.3939 -6.9670 -6.9670 -4.9331 -4.9331 -4.9151 -4.9151 -3.4170 -3.4170 -2.0865 -2.0865 -1.5841 -1.5841 -1.5687 -1.5687 0.0843 0.0843 0.0956 0.0956 0.5964 0.5964 0.7417 0.7417 1.0499 1.0499 1.0775 1.0775 1.2980 1.2980 1.6215 1.6215 1.7262 1.7262 2.4447 2.4447 2.4864 2.4864 2.5102 2.5102 2.9601 2.9601 2.9796 2.9796 3.2694 3.2694 k = 0.3333 0.5774 0.2619 ( 12369 PWs) bands (ev): -27.7516 -27.7516 -27.7516 -27.7516 -14.6178 -14.6178 -12.8123 -12.8123 -12.7843 -12.7843 -12.4594 -12.4594 -12.4278 -12.4278 -11.6335 -11.6335 -11.6018 -11.6018 -11.4729 -11.4729 -11.4016 -11.4016 -11.3358 -11.3358 -10.6925 -10.6925 -10.4827 -10.4827 -7.5931 -7.5931 -7.3939 -7.3939 -6.9670 -6.9670 -4.9332 -4.9332 -4.9151 -4.9151 -3.4170 -3.4170 -2.0865 -2.0865 -1.5841 -1.5841 -1.5687 -1.5687 0.0848 0.0848 0.0961 0.0961 0.5965 0.5965 0.7405 0.7405 1.0501 1.0501 1.0777 1.0777 1.2994 1.2994 1.6213 1.6213 1.7251 1.7251 2.4444 2.4444 2.4859 2.4859 2.5100 2.5100 2.9571 2.9571 2.9775 2.9775 3.2721 3.2721 k = 0.3333 0.5774 0.2821 ( 12381 PWs) bands (ev): -27.7516 -27.7516 -27.7516 -27.7516 -14.6178 -14.6178 -12.8123 -12.8123 -12.7843 -12.7843 -12.4594 -12.4594 -12.4278 -12.4278 -11.6336 -11.6336 -11.6017 -11.6017 -11.4729 -11.4729 -11.4016 -11.4016 -11.3358 -11.3358 -10.6925 -10.6925 -10.4827 -10.4827 -7.5931 -7.5931 -7.3939 -7.3939 -6.9670 -6.9670 -4.9332 -4.9332 -4.9152 -4.9152 -3.4170 -3.4170 -2.0865 -2.0865 -1.5841 -1.5841 -1.5688 -1.5688 0.0852 0.0852 0.0964 0.0964 0.5966 0.5966 0.7395 0.7395 1.0503 1.0503 1.0778 1.0778 1.3005 1.3005 1.6212 1.6212 1.7243 1.7243 2.4441 2.4441 2.4855 2.4855 2.5099 2.5099 2.9549 2.9549 2.9759 2.9759 3.2741 3.2741 k = 0.3333 0.5774 0.3022 ( 12369 PWs) bands (ev): -27.7516 -27.7516 -27.7516 -27.7516 -14.6178 -14.6178 -12.8123 -12.8123 -12.7843 -12.7843 -12.4594 -12.4594 -12.4278 -12.4278 -11.6336 -11.6336 -11.6017 -11.6017 -11.4729 -11.4729 -11.4016 -11.4016 -11.3358 -11.3358 -10.6925 -10.6925 -10.4827 -10.4827 -7.5931 -7.5931 -7.3939 -7.3939 -6.9670 -6.9670 -4.9332 -4.9332 -4.9152 -4.9152 -3.4170 -3.4170 -2.0865 -2.0865 -1.5841 -1.5841 -1.5688 -1.5688 0.0854 0.0854 0.0967 0.0967 0.5967 0.5967 0.7390 0.7390 1.0504 1.0504 1.0779 1.0779 1.3011 1.3011 1.6211 1.6211 1.7238 1.7238 2.4440 2.4440 2.4853 2.4853 2.5098 2.5098 2.9536 2.9536 2.9750 2.9750 3.2754 3.2754 k = 0.3333 0.5774 0.3223 ( 12372 PWs) bands (ev): -27.7516 -27.7516 -27.7516 -27.7516 -14.6178 -14.6178 -12.8123 -12.8123 -12.7843 -12.7843 -12.4594 -12.4594 -12.4278 -12.4278 -11.6336 -11.6336 -11.6017 -11.6017 -11.4729 -11.4729 -11.4016 -11.4016 -11.3358 -11.3358 -10.6925 -10.6925 -10.4827 -10.4827 -7.5931 -7.5931 -7.3939 -7.3939 -6.9670 -6.9670 -4.9332 -4.9332 -4.9152 -4.9152 -3.4170 -3.4170 -2.0865 -2.0865 -1.5841 -1.5841 -1.5688 -1.5688 0.0855 0.0855 0.0968 0.0968 0.5967 0.5967 0.7388 0.7388 1.0504 1.0504 1.0780 1.0780 1.3014 1.3014 1.6210 1.6210 1.7237 1.7237 2.4439 2.4439 2.4852 2.4852 2.5098 2.5098 2.9532 2.9532 2.9746 2.9746 3.2758 3.2758 Writing output data file Rb2PtS6.save init_run : 0.93s CPU 1.25s WALL ( 1 calls) electrons : 563.80s CPU 567.89s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.10s CPU 0.16s WALL ( 1 calls) Called by electrons: c_bands : 563.80s CPU 567.88s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.24s CPU 0.41s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.10s CPU 0.12s WALL ( 207 calls) cegterg : 525.08s CPU 528.45s WALL ( 468 calls) Called by sum_band: Called by *egterg: h_psi : 332.62s CPU 335.85s WALL ( 7522 calls) s_psi : 17.06s CPU 17.03s WALL ( 7522 calls) g_psi : 0.40s CPU 0.40s WALL ( 6847 calls) cdiaghg : 157.40s CPU 157.85s WALL ( 7054 calls) cegterg:over : 20.79s CPU 20.85s WALL ( 6847 calls) cegterg:upda : 13.68s CPU 13.82s WALL ( 6847 calls) cegterg:last : 8.69s CPU 8.68s WALL ( 1089 calls) cdiaghg:chol : 5.88s CPU 5.92s WALL ( 7054 calls) cdiaghg:inve : 4.38s CPU 4.32s WALL ( 7054 calls) cdiaghg:para : 10.48s CPU 10.62s WALL ( 14108 calls) Called by h_psi: h_psi:vloc : 294.14s CPU 297.39s WALL ( 7522 calls) h_psi:vnl : 37.94s CPU 37.99s WALL ( 7522 calls) add_vuspsi : 19.71s CPU 19.82s WALL ( 7522 calls) General routines calbec : 18.21s CPU 18.14s WALL ( 7522 calls) fft : 0.04s CPU 0.03s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 281.93s CPU 284.76s WALL ( 936072 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.16s CPU 0.27s WALL ( 414 calls) Parallel routines fft_scatter : 187.65s CPU 189.41s WALL ( 936095 calls) PWSCF : 10m20.65s CPU 10m41.78s WALL This run was terminated on: 9:34:15 1Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=