Program PWSCF v.5.1.1 starts on 29Jun2015 at 3:56:10 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./NiS.save/ file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 14 10 3 476 280 45 Max 15 11 4 483 295 51 Sum 685 499 151 22945 13801 2333 bravais-lattice index = 14 lattice parameter (alat) = 6.5112 a.u. unit-cell volume = 375.0184 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 42.0000 Ry charge density cutoff = 236.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.511240 celldm(2)= 1.000000 celldm(3)= 1.568667 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 1.568667 ) 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 0.637484 ) PseudoPot. # 1 for S read from file: /home/autes/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 Ni read from file: /home/autes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 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 1195 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) Ni 10.00 58.69340 Ni( 1.00) 12 Sym. Ops. (no inversion) found ( 6 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.7843336 ) isym = 3 60 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 3) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.7843336 ) isym = 4 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 4) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.7843336 ) isym = 5 120 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 0 1 0 ) ( -1 -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 = 6 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( -1 -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 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.7843336 ) 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. 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 9) = ( -0.5000000 0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.7843336 ) isym = 10 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(10) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.7843336 ) 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 C_6v (6mm) there are 9 classes and 3 irreducible representations the character table: E -E C2 2C3 -2C3 2C6 -2C6 3s_v 3s_d -C2 -3s_v -3s_d G_7 2.00 -2.00 0.00 1.00 -1.00 1.73 -1.73 0.00 0.00 G_8 2.00 -2.00 0.00 1.00 -1.00 -1.73 1.73 0.00 0.00 G_9 2.00 -2.00 0.00 -2.00 2.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 2C6 3 4 2C3 5 6 3s_v-3s_v 7 -7 9 10 -10 -9 3s_d-3s_d 8 -8 12 -11 11 -12 -E -1 -2C6 -3 -4 -2C3 -5 -6 Cartesian axes number of k points= 389 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025707 k( 2) = ( 0.0094340 0.0054467 -0.0000000), wk = 0.0025707 k( 3) = ( 0.0188679 0.0108934 -0.0000000), wk = 0.0025707 k( 4) = ( 0.0283019 0.0163401 -0.0000000), wk = 0.0025707 k( 5) = ( 0.0377359 0.0217868 -0.0000000), wk = 0.0025707 k( 6) = ( 0.0471698 0.0272335 -0.0000000), wk = 0.0025707 k( 7) = ( 0.0566038 0.0326802 -0.0000000), wk = 0.0025707 k( 8) = ( 0.0660377 0.0381269 -0.0000000), wk = 0.0025707 k( 9) = ( 0.0754717 0.0435736 -0.0000000), wk = 0.0025707 k( 10) = ( 0.0849057 0.0490203 -0.0000000), wk = 0.0025707 k( 11) = ( 0.0943396 0.0544670 -0.0000000), wk = 0.0025707 k( 12) = ( 0.1037736 0.0599137 -0.0000000), wk = 0.0025707 k( 13) = ( 0.1132076 0.0653604 -0.0000000), wk = 0.0025707 k( 14) = ( 0.1226415 0.0708071 -0.0000000), wk = 0.0025707 k( 15) = ( 0.1320755 0.0762538 -0.0000000), wk = 0.0025707 k( 16) = ( 0.1415094 0.0817005 -0.0000000), wk = 0.0025707 k( 17) = ( 0.1509434 0.0871472 -0.0000000), wk = 0.0025707 k( 18) = ( 0.1603774 0.0925939 -0.0000000), wk = 0.0025707 k( 19) = ( 0.1698113 0.0980406 -0.0000000), wk = 0.0025707 k( 20) = ( 0.1792453 0.1034873 -0.0000000), wk = 0.0025707 k( 21) = ( 0.1886792 0.1089340 -0.0000000), wk = 0.0025707 k( 22) = ( 0.1981132 0.1143807 -0.0000000), wk = 0.0025707 k( 23) = ( 0.2075472 0.1198274 -0.0000000), wk = 0.0025707 k( 24) = ( 0.2169811 0.1252741 -0.0000000), wk = 0.0025707 k( 25) = ( 0.2264151 0.1307208 -0.0000000), wk = 0.0025707 k( 26) = ( 0.2358491 0.1361675 -0.0000000), wk = 0.0025707 k( 27) = ( 0.2452830 0.1416142 -0.0000000), wk = 0.0025707 k( 28) = ( 0.2547170 0.1470609 -0.0000000), wk = 0.0025707 k( 29) = ( 0.2641509 0.1525076 -0.0000000), wk = 0.0025707 k( 30) = ( 0.2735849 0.1579543 -0.0000000), wk = 0.0025707 k( 31) = ( 0.2830189 0.1634010 -0.0000000), wk = 0.0025707 k( 32) = ( 0.2924528 0.1688477 -0.0000000), wk = 0.0025707 k( 33) = ( 0.3018868 0.1742944 -0.0000000), wk = 0.0025707 k( 34) = ( 0.3113207 0.1797411 -0.0000000), wk = 0.0025707 k( 35) = ( 0.3207547 0.1851878 -0.0000000), wk = 0.0025707 k( 36) = ( 0.3301887 0.1906345 -0.0000000), wk = 0.0025707 k( 37) = ( 0.3396226 0.1960812 -0.0000000), wk = 0.0025707 k( 38) = ( 0.3490566 0.2015279 -0.0000000), wk = 0.0025707 k( 39) = ( 0.3584906 0.2069746 -0.0000000), wk = 0.0025707 k( 40) = ( 0.3679245 0.2124213 -0.0000000), wk = 0.0025707 k( 41) = ( 0.3773585 0.2178680 -0.0000000), wk = 0.0025707 k( 42) = ( 0.3867925 0.2233147 -0.0000000), wk = 0.0025707 k( 43) = ( 0.3962264 0.2287614 -0.0000000), wk = 0.0025707 k( 44) = ( 0.4056604 0.2342081 -0.0000000), wk = 0.0025707 k( 45) = ( 0.4150943 0.2396548 -0.0000000), wk = 0.0025707 k( 46) = ( 0.4245283 0.2451015 -0.0000000), wk = 0.0025707 k( 47) = ( 0.4339623 0.2505482 -0.0000000), wk = 0.0025707 k( 48) = ( 0.4433962 0.2559949 -0.0000000), wk = 0.0025707 k( 49) = ( 0.4528302 0.2614416 -0.0000000), wk = 0.0025707 k( 50) = ( 0.4622641 0.2668883 -0.0000000), wk = 0.0025707 k( 51) = ( 0.4716981 0.2723350 -0.0000000), wk = 0.0025707 k( 52) = ( 0.4811321 0.2777817 -0.0000000), wk = 0.0025707 k( 53) = ( 0.4905660 0.2832284 -0.0000000), wk = 0.0025707 k( 54) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0025707 k( 55) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0025707 k( 56) = ( 0.4946237 0.2979872 -0.0000000), wk = 0.0025707 k( 57) = ( 0.4892473 0.3072993 -0.0000000), wk = 0.0025707 k( 58) = ( 0.4838710 0.3166114 -0.0000000), wk = 0.0025707 k( 59) = ( 0.4784946 0.3259235 -0.0000000), wk = 0.0025707 k( 60) = ( 0.4731183 0.3352356 -0.0000000), wk = 0.0025707 k( 61) = ( 0.4677419 0.3445477 -0.0000000), wk = 0.0025707 k( 62) = ( 0.4623656 0.3538598 -0.0000000), wk = 0.0025707 k( 63) = ( 0.4569893 0.3631720 -0.0000000), wk = 0.0025707 k( 64) = ( 0.4516129 0.3724840 -0.0000000), wk = 0.0025707 k( 65) = ( 0.4462366 0.3817961 -0.0000000), wk = 0.0025707 k( 66) = ( 0.4408602 0.3911082 -0.0000000), wk = 0.0025707 k( 67) = ( 0.4354839 0.4004203 -0.0000000), wk = 0.0025707 k( 68) = ( 0.4301075 0.4097325 -0.0000000), wk = 0.0025707 k( 69) = ( 0.4247312 0.4190445 -0.0000000), wk = 0.0025707 k( 70) = ( 0.4193548 0.4283566 -0.0000000), wk = 0.0025707 k( 71) = ( 0.4139785 0.4376687 -0.0000000), wk = 0.0025707 k( 72) = ( 0.4086021 0.4469809 -0.0000000), wk = 0.0025707 k( 73) = ( 0.4032258 0.4562930 -0.0000000), wk = 0.0025707 k( 74) = ( 0.3978495 0.4656051 -0.0000000), wk = 0.0025707 k( 75) = ( 0.3924731 0.4749172 -0.0000000), wk = 0.0025707 k( 76) = ( 0.3870968 0.4842293 -0.0000000), wk = 0.0025707 k( 77) = ( 0.3817204 0.4935414 -0.0000000), wk = 0.0025707 k( 78) = ( 0.3763441 0.5028535 -0.0000000), wk = 0.0025707 k( 79) = ( 0.3709677 0.5121656 -0.0000000), wk = 0.0025707 k( 80) = ( 0.3655914 0.5214777 -0.0000000), wk = 0.0025707 k( 81) = ( 0.3602150 0.5307898 -0.0000000), wk = 0.0025707 k( 82) = ( 0.3548387 0.5401019 -0.0000000), wk = 0.0025707 k( 83) = ( 0.3494624 0.5494140 -0.0000000), wk = 0.0025707 k( 84) = ( 0.3440860 0.5587261 -0.0000000), wk = 0.0025707 k( 85) = ( 0.3387097 0.5680382 -0.0000000), wk = 0.0025707 k( 86) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0025707 k( 87) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0025707 k( 88) = ( 0.3278688 0.5678855 -0.0000000), wk = 0.0025707 k( 89) = ( 0.3224044 0.5584207 -0.0000000), wk = 0.0025707 k( 90) = ( 0.3169399 0.5489560 -0.0000000), wk = 0.0025707 k( 91) = ( 0.3114754 0.5394912 -0.0000000), wk = 0.0025707 k( 92) = ( 0.3060109 0.5300265 -0.0000000), wk = 0.0025707 k( 93) = ( 0.3005465 0.5205617 -0.0000000), wk = 0.0025707 k( 94) = ( 0.2950820 0.5110970 -0.0000000), wk = 0.0025707 k( 95) = ( 0.2896175 0.5016322 -0.0000000), wk = 0.0025707 k( 96) = ( 0.2841530 0.4921675 -0.0000000), wk = 0.0025707 k( 97) = ( 0.2786885 0.4827027 -0.0000000), wk = 0.0025707 k( 98) = ( 0.2732240 0.4732379 -0.0000000), wk = 0.0025707 k( 99) = ( 0.2677596 0.4637732 -0.0000000), wk = 0.0025707 k( 100) = ( 0.2622951 0.4543084 -0.0000000), wk = 0.0025707 k( 101) = ( 0.2568306 0.4448436 -0.0000000), wk = 0.0025707 k( 102) = ( 0.2513661 0.4353789 -0.0000000), wk = 0.0025707 k( 103) = ( 0.2459016 0.4259141 -0.0000000), wk = 0.0025707 k( 104) = ( 0.2404372 0.4164494 -0.0000000), wk = 0.0025707 k( 105) = ( 0.2349727 0.4069846 -0.0000000), wk = 0.0025707 k( 106) = ( 0.2295082 0.3975199 -0.0000000), wk = 0.0025707 k( 107) = ( 0.2240437 0.3880551 -0.0000000), wk = 0.0025707 k( 108) = ( 0.2185792 0.3785903 -0.0000000), wk = 0.0025707 k( 109) = ( 0.2131147 0.3691256 -0.0000000), wk = 0.0025707 k( 110) = ( 0.2076503 0.3596608 -0.0000000), wk = 0.0025707 k( 111) = ( 0.2021858 0.3501961 -0.0000000), wk = 0.0025707 k( 112) = ( 0.1967213 0.3407313 -0.0000000), wk = 0.0025707 k( 113) = ( 0.1912568 0.3312665 -0.0000000), wk = 0.0025707 k( 114) = ( 0.1857923 0.3218018 -0.0000000), wk = 0.0025707 k( 115) = ( 0.1803279 0.3123370 -0.0000000), wk = 0.0025707 k( 116) = ( 0.1748634 0.3028723 -0.0000000), wk = 0.0025707 k( 117) = ( 0.1693989 0.2934075 -0.0000000), wk = 0.0025707 k( 118) = ( 0.1639344 0.2839428 -0.0000000), wk = 0.0025707 k( 119) = ( 0.1584699 0.2744780 -0.0000000), wk = 0.0025707 k( 120) = ( 0.1530055 0.2650132 -0.0000000), wk = 0.0025707 k( 121) = ( 0.1475410 0.2555485 -0.0000000), wk = 0.0025707 k( 122) = ( 0.1420765 0.2460837 -0.0000000), wk = 0.0025707 k( 123) = ( 0.1366120 0.2366190 -0.0000000), wk = 0.0025707 k( 124) = ( 0.1311475 0.2271542 -0.0000000), wk = 0.0025707 k( 125) = ( 0.1256831 0.2176894 -0.0000000), wk = 0.0025707 k( 126) = ( 0.1202186 0.2082247 -0.0000000), wk = 0.0025707 k( 127) = ( 0.1147541 0.1987599 -0.0000000), wk = 0.0025707 k( 128) = ( 0.1092896 0.1892952 -0.0000000), wk = 0.0025707 k( 129) = ( 0.1038251 0.1798304 -0.0000000), wk = 0.0025707 k( 130) = ( 0.0983607 0.1703657 -0.0000000), wk = 0.0025707 k( 131) = ( 0.0928962 0.1609009 -0.0000000), wk = 0.0025707 k( 132) = ( 0.0874317 0.1514361 -0.0000000), wk = 0.0025707 k( 133) = ( 0.0819672 0.1419714 -0.0000000), wk = 0.0025707 k( 134) = ( 0.0765027 0.1325066 -0.0000000), wk = 0.0025707 k( 135) = ( 0.0710382 0.1230419 -0.0000000), wk = 0.0025707 k( 136) = ( 0.0655738 0.1135771 -0.0000000), wk = 0.0025707 k( 137) = ( 0.0601093 0.1041123 -0.0000000), wk = 0.0025707 k( 138) = ( 0.0546448 0.0946476 -0.0000000), wk = 0.0025707 k( 139) = ( 0.0491803 0.0851828 -0.0000000), wk = 0.0025707 k( 140) = ( 0.0437159 0.0757181 -0.0000000), wk = 0.0025707 k( 141) = ( 0.0382514 0.0662533 -0.0000000), wk = 0.0025707 k( 142) = ( 0.0327869 0.0567886 -0.0000000), wk = 0.0025707 k( 143) = ( 0.0273224 0.0473238 -0.0000000), wk = 0.0025707 k( 144) = ( 0.0218579 0.0378590 -0.0000000), wk = 0.0025707 k( 145) = ( 0.0163934 0.0283943 -0.0000000), wk = 0.0025707 k( 146) = ( 0.0109290 0.0189295 -0.0000000), wk = 0.0025707 k( 147) = ( 0.0054645 0.0094648 -0.0000000), wk = 0.0025707 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025707 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025707 k( 150) = ( 0.0000000 0.0000000 0.0106247), wk = 0.0025707 k( 151) = ( 0.0000000 0.0000000 0.0212495), wk = 0.0025707 k( 152) = ( 0.0000000 0.0000000 0.0318742), wk = 0.0025707 k( 153) = ( 0.0000000 0.0000000 0.0424989), wk = 0.0025707 k( 154) = ( 0.0000000 0.0000000 0.0531236), wk = 0.0025707 k( 155) = ( 0.0000000 0.0000000 0.0637484), wk = 0.0025707 k( 156) = ( 0.0000000 0.0000000 0.0743731), wk = 0.0025707 k( 157) = ( 0.0000000 0.0000000 0.0849978), wk = 0.0025707 k( 158) = ( 0.0000000 0.0000000 0.0956226), wk = 0.0025707 k( 159) = ( 0.0000000 0.0000000 0.1062473), wk = 0.0025707 k( 160) = ( 0.0000000 0.0000000 0.1168720), wk = 0.0025707 k( 161) = ( 0.0000000 0.0000000 0.1274968), wk = 0.0025707 k( 162) = ( 0.0000000 0.0000000 0.1381215), wk = 0.0025707 k( 163) = ( 0.0000000 0.0000000 0.1487462), wk = 0.0025707 k( 164) = ( 0.0000000 0.0000000 0.1593710), wk = 0.0025707 k( 165) = ( 0.0000000 0.0000000 0.1699957), wk = 0.0025707 k( 166) = ( 0.0000000 0.0000000 0.1806204), wk = 0.0025707 k( 167) = ( 0.0000000 0.0000000 0.1912451), wk = 0.0025707 k( 168) = ( 0.0000000 0.0000000 0.2018699), wk = 0.0025707 k( 169) = ( 0.0000000 0.0000000 0.2124946), wk = 0.0025707 k( 170) = ( 0.0000000 0.0000000 0.2231193), wk = 0.0025707 k( 171) = ( 0.0000000 0.0000000 0.2337441), wk = 0.0025707 k( 172) = ( 0.0000000 0.0000000 0.2443688), wk = 0.0025707 k( 173) = ( 0.0000000 0.0000000 0.2549935), wk = 0.0025707 k( 174) = ( 0.0000000 0.0000000 0.2656183), wk = 0.0025707 k( 175) = ( 0.0000000 0.0000000 0.2762430), wk = 0.0025707 k( 176) = ( 0.0000000 0.0000000 0.2868677), wk = 0.0025707 k( 177) = ( 0.0000000 0.0000000 0.2974924), wk = 0.0025707 k( 178) = ( 0.0000000 0.0000000 0.3081172), wk = 0.0025707 k( 179) = ( 0.0000000 0.0000000 0.3187419), wk = 0.0025707 k( 180) = ( 0.0000000 0.0000000 0.3187419), wk = 0.0025707 k( 181) = ( 0.0094340 0.0054467 0.3187419), wk = 0.0025707 k( 182) = ( 0.0188679 0.0108934 0.3187419), wk = 0.0025707 k( 183) = ( 0.0283019 0.0163401 0.3187419), wk = 0.0025707 k( 184) = ( 0.0377359 0.0217868 0.3187419), wk = 0.0025707 k( 185) = ( 0.0471698 0.0272335 0.3187419), wk = 0.0025707 k( 186) = ( 0.0566038 0.0326802 0.3187419), wk = 0.0025707 k( 187) = ( 0.0660377 0.0381269 0.3187419), wk = 0.0025707 k( 188) = ( 0.0754717 0.0435736 0.3187419), wk = 0.0025707 k( 189) = ( 0.0849057 0.0490203 0.3187419), wk = 0.0025707 k( 190) = ( 0.0943396 0.0544670 0.3187419), wk = 0.0025707 k( 191) = ( 0.1037736 0.0599137 0.3187419), wk = 0.0025707 k( 192) = ( 0.1132076 0.0653604 0.3187419), wk = 0.0025707 k( 193) = ( 0.1226415 0.0708071 0.3187419), wk = 0.0025707 k( 194) = ( 0.1320755 0.0762538 0.3187419), wk = 0.0025707 k( 195) = ( 0.1415094 0.0817005 0.3187419), wk = 0.0025707 k( 196) = ( 0.1509434 0.0871472 0.3187419), wk = 0.0025707 k( 197) = ( 0.1603774 0.0925939 0.3187419), wk = 0.0025707 k( 198) = ( 0.1698113 0.0980406 0.3187419), wk = 0.0025707 k( 199) = ( 0.1792453 0.1034873 0.3187419), wk = 0.0025707 k( 200) = ( 0.1886792 0.1089340 0.3187419), wk = 0.0025707 k( 201) = ( 0.1981132 0.1143807 0.3187419), wk = 0.0025707 k( 202) = ( 0.2075472 0.1198274 0.3187419), wk = 0.0025707 k( 203) = ( 0.2169811 0.1252741 0.3187419), wk = 0.0025707 k( 204) = ( 0.2264151 0.1307208 0.3187419), wk = 0.0025707 k( 205) = ( 0.2358491 0.1361675 0.3187419), wk = 0.0025707 k( 206) = ( 0.2452830 0.1416142 0.3187419), wk = 0.0025707 k( 207) = ( 0.2547170 0.1470609 0.3187419), wk = 0.0025707 k( 208) = ( 0.2641509 0.1525076 0.3187419), wk = 0.0025707 k( 209) = ( 0.2735849 0.1579543 0.3187419), wk = 0.0025707 k( 210) = ( 0.2830189 0.1634010 0.3187419), wk = 0.0025707 k( 211) = ( 0.2924528 0.1688477 0.3187419), wk = 0.0025707 k( 212) = ( 0.3018868 0.1742944 0.3187419), wk = 0.0025707 k( 213) = ( 0.3113207 0.1797411 0.3187419), wk = 0.0025707 k( 214) = ( 0.3207547 0.1851878 0.3187419), wk = 0.0025707 k( 215) = ( 0.3301887 0.1906345 0.3187419), wk = 0.0025707 k( 216) = ( 0.3396226 0.1960812 0.3187419), wk = 0.0025707 k( 217) = ( 0.3490566 0.2015279 0.3187419), wk = 0.0025707 k( 218) = ( 0.3584906 0.2069746 0.3187419), wk = 0.0025707 k( 219) = ( 0.3679245 0.2124213 0.3187419), wk = 0.0025707 k( 220) = ( 0.3773585 0.2178680 0.3187419), wk = 0.0025707 k( 221) = ( 0.3867925 0.2233147 0.3187419), wk = 0.0025707 k( 222) = ( 0.3962264 0.2287614 0.3187419), wk = 0.0025707 k( 223) = ( 0.4056604 0.2342081 0.3187419), wk = 0.0025707 k( 224) = ( 0.4150943 0.2396548 0.3187419), wk = 0.0025707 k( 225) = ( 0.4245283 0.2451015 0.3187419), wk = 0.0025707 k( 226) = ( 0.4339623 0.2505482 0.3187419), wk = 0.0025707 k( 227) = ( 0.4433962 0.2559949 0.3187419), wk = 0.0025707 k( 228) = ( 0.4528302 0.2614416 0.3187419), wk = 0.0025707 k( 229) = ( 0.4622641 0.2668883 0.3187419), wk = 0.0025707 k( 230) = ( 0.4716981 0.2723350 0.3187419), wk = 0.0025707 k( 231) = ( 0.4811321 0.2777817 0.3187419), wk = 0.0025707 k( 232) = ( 0.4905660 0.2832284 0.3187419), wk = 0.0025707 k( 233) = ( 0.5000000 0.2886751 0.3187419), wk = 0.0025707 k( 234) = ( 0.5000000 0.2886751 0.3187419), wk = 0.0025707 k( 235) = ( 0.4946237 0.2979872 0.3187419), wk = 0.0025707 k( 236) = ( 0.4892473 0.3072993 0.3187419), wk = 0.0025707 k( 237) = ( 0.4838710 0.3166114 0.3187419), wk = 0.0025707 k( 238) = ( 0.4784946 0.3259235 0.3187419), wk = 0.0025707 k( 239) = ( 0.4731183 0.3352356 0.3187419), wk = 0.0025707 k( 240) = ( 0.4677419 0.3445477 0.3187419), wk = 0.0025707 k( 241) = ( 0.4623656 0.3538598 0.3187419), wk = 0.0025707 k( 242) = ( 0.4569893 0.3631720 0.3187419), wk = 0.0025707 k( 243) = ( 0.4516129 0.3724840 0.3187419), wk = 0.0025707 k( 244) = ( 0.4462366 0.3817961 0.3187419), wk = 0.0025707 k( 245) = ( 0.4408602 0.3911082 0.3187419), wk = 0.0025707 k( 246) = ( 0.4354839 0.4004203 0.3187419), wk = 0.0025707 k( 247) = ( 0.4301075 0.4097325 0.3187419), wk = 0.0025707 k( 248) = ( 0.4247312 0.4190445 0.3187419), wk = 0.0025707 k( 249) = ( 0.4193548 0.4283566 0.3187419), wk = 0.0025707 k( 250) = ( 0.4139785 0.4376687 0.3187419), wk = 0.0025707 k( 251) = ( 0.4086021 0.4469809 0.3187419), wk = 0.0025707 k( 252) = ( 0.4032258 0.4562930 0.3187419), wk = 0.0025707 k( 253) = ( 0.3978495 0.4656051 0.3187419), wk = 0.0025707 k( 254) = ( 0.3924731 0.4749172 0.3187419), wk = 0.0025707 k( 255) = ( 0.3870968 0.4842293 0.3187419), wk = 0.0025707 k( 256) = ( 0.3817204 0.4935414 0.3187419), wk = 0.0025707 k( 257) = ( 0.3763441 0.5028535 0.3187419), wk = 0.0025707 k( 258) = ( 0.3709677 0.5121656 0.3187419), wk = 0.0025707 k( 259) = ( 0.3655914 0.5214777 0.3187419), wk = 0.0025707 k( 260) = ( 0.3602150 0.5307898 0.3187419), wk = 0.0025707 k( 261) = ( 0.3548387 0.5401019 0.3187419), wk = 0.0025707 k( 262) = ( 0.3494624 0.5494140 0.3187419), wk = 0.0025707 k( 263) = ( 0.3440860 0.5587261 0.3187419), wk = 0.0025707 k( 264) = ( 0.3387097 0.5680382 0.3187419), wk = 0.0025707 k( 265) = ( 0.3333333 0.5773503 0.3187419), wk = 0.0025707 k( 266) = ( 0.3333333 0.5773503 0.3187419), wk = 0.0025707 k( 267) = ( 0.3278688 0.5678855 0.3187419), wk = 0.0025707 k( 268) = ( 0.3224044 0.5584207 0.3187419), wk = 0.0025707 k( 269) = ( 0.3169399 0.5489560 0.3187419), wk = 0.0025707 k( 270) = ( 0.3114754 0.5394912 0.3187419), wk = 0.0025707 k( 271) = ( 0.3060109 0.5300265 0.3187419), wk = 0.0025707 k( 272) = ( 0.3005465 0.5205617 0.3187419), wk = 0.0025707 k( 273) = ( 0.2950820 0.5110970 0.3187419), wk = 0.0025707 k( 274) = ( 0.2896175 0.5016322 0.3187419), wk = 0.0025707 k( 275) = ( 0.2841530 0.4921675 0.3187419), wk = 0.0025707 k( 276) = ( 0.2786885 0.4827027 0.3187419), wk = 0.0025707 k( 277) = ( 0.2732240 0.4732379 0.3187419), wk = 0.0025707 k( 278) = ( 0.2677596 0.4637732 0.3187419), wk = 0.0025707 k( 279) = ( 0.2622951 0.4543084 0.3187419), wk = 0.0025707 k( 280) = ( 0.2568306 0.4448436 0.3187419), wk = 0.0025707 k( 281) = ( 0.2513661 0.4353789 0.3187419), wk = 0.0025707 k( 282) = ( 0.2459016 0.4259141 0.3187419), wk = 0.0025707 k( 283) = ( 0.2404372 0.4164494 0.3187419), wk = 0.0025707 k( 284) = ( 0.2349727 0.4069846 0.3187419), wk = 0.0025707 k( 285) = ( 0.2295082 0.3975199 0.3187419), wk = 0.0025707 k( 286) = ( 0.2240437 0.3880551 0.3187419), wk = 0.0025707 k( 287) = ( 0.2185792 0.3785903 0.3187419), wk = 0.0025707 k( 288) = ( 0.2131147 0.3691256 0.3187419), wk = 0.0025707 k( 289) = ( 0.2076503 0.3596608 0.3187419), wk = 0.0025707 k( 290) = ( 0.2021858 0.3501961 0.3187419), wk = 0.0025707 k( 291) = ( 0.1967213 0.3407313 0.3187419), wk = 0.0025707 k( 292) = ( 0.1912568 0.3312665 0.3187419), wk = 0.0025707 k( 293) = ( 0.1857923 0.3218018 0.3187419), wk = 0.0025707 k( 294) = ( 0.1803279 0.3123370 0.3187419), wk = 0.0025707 k( 295) = ( 0.1748634 0.3028723 0.3187419), wk = 0.0025707 k( 296) = ( 0.1693989 0.2934075 0.3187419), wk = 0.0025707 k( 297) = ( 0.1639344 0.2839428 0.3187419), wk = 0.0025707 k( 298) = ( 0.1584699 0.2744780 0.3187419), wk = 0.0025707 k( 299) = ( 0.1530055 0.2650132 0.3187419), wk = 0.0025707 k( 300) = ( 0.1475410 0.2555485 0.3187419), wk = 0.0025707 k( 301) = ( 0.1420765 0.2460837 0.3187419), wk = 0.0025707 k( 302) = ( 0.1366120 0.2366190 0.3187419), wk = 0.0025707 k( 303) = ( 0.1311475 0.2271542 0.3187419), wk = 0.0025707 k( 304) = ( 0.1256831 0.2176894 0.3187419), wk = 0.0025707 k( 305) = ( 0.1202186 0.2082247 0.3187419), wk = 0.0025707 k( 306) = ( 0.1147541 0.1987599 0.3187419), wk = 0.0025707 k( 307) = ( 0.1092896 0.1892952 0.3187419), wk = 0.0025707 k( 308) = ( 0.1038251 0.1798304 0.3187419), wk = 0.0025707 k( 309) = ( 0.0983607 0.1703657 0.3187419), wk = 0.0025707 k( 310) = ( 0.0928962 0.1609009 0.3187419), wk = 0.0025707 k( 311) = ( 0.0874317 0.1514361 0.3187419), wk = 0.0025707 k( 312) = ( 0.0819672 0.1419714 0.3187419), wk = 0.0025707 k( 313) = ( 0.0765027 0.1325066 0.3187419), wk = 0.0025707 k( 314) = ( 0.0710382 0.1230419 0.3187419), wk = 0.0025707 k( 315) = ( 0.0655738 0.1135771 0.3187419), wk = 0.0025707 k( 316) = ( 0.0601093 0.1041123 0.3187419), wk = 0.0025707 k( 317) = ( 0.0546448 0.0946476 0.3187419), wk = 0.0025707 k( 318) = ( 0.0491803 0.0851828 0.3187419), wk = 0.0025707 k( 319) = ( 0.0437159 0.0757181 0.3187419), wk = 0.0025707 k( 320) = ( 0.0382514 0.0662533 0.3187419), wk = 0.0025707 k( 321) = ( 0.0327869 0.0567886 0.3187419), wk = 0.0025707 k( 322) = ( 0.0273224 0.0473238 0.3187419), wk = 0.0025707 k( 323) = ( 0.0218579 0.0378590 0.3187419), wk = 0.0025707 k( 324) = ( 0.0163934 0.0283943 0.3187419), wk = 0.0025707 k( 325) = ( 0.0109290 0.0189295 0.3187419), wk = 0.0025707 k( 326) = ( 0.0054645 0.0094648 0.3187419), wk = 0.0025707 k( 327) = ( 0.0000000 0.0000000 0.3187419), wk = 0.0025707 k( 328) = ( 0.5000000 0.2886751 0.3187419), wk = 0.0025707 k( 329) = ( 0.5000000 0.2886751 0.3081172), wk = 0.0025707 k( 330) = ( 0.5000000 0.2886751 0.2974924), wk = 0.0025707 k( 331) = ( 0.5000000 0.2886751 0.2868677), wk = 0.0025707 k( 332) = ( 0.5000000 0.2886751 0.2762430), wk = 0.0025707 k( 333) = ( 0.5000000 0.2886751 0.2656183), wk = 0.0025707 k( 334) = ( 0.5000000 0.2886751 0.2549935), wk = 0.0025707 k( 335) = ( 0.5000000 0.2886751 0.2443688), wk = 0.0025707 k( 336) = ( 0.5000000 0.2886751 0.2337441), wk = 0.0025707 k( 337) = ( 0.5000000 0.2886751 0.2231193), wk = 0.0025707 k( 338) = ( 0.5000000 0.2886751 0.2124946), wk = 0.0025707 k( 339) = ( 0.5000000 0.2886751 0.2018699), wk = 0.0025707 k( 340) = ( 0.5000000 0.2886751 0.1912451), wk = 0.0025707 k( 341) = ( 0.5000000 0.2886751 0.1806204), wk = 0.0025707 k( 342) = ( 0.5000000 0.2886751 0.1699957), wk = 0.0025707 k( 343) = ( 0.5000000 0.2886751 0.1593710), wk = 0.0025707 k( 344) = ( 0.5000000 0.2886751 0.1487462), wk = 0.0025707 k( 345) = ( 0.5000000 0.2886751 0.1381215), wk = 0.0025707 k( 346) = ( 0.5000000 0.2886751 0.1274968), wk = 0.0025707 k( 347) = ( 0.5000000 0.2886751 0.1168720), wk = 0.0025707 k( 348) = ( 0.5000000 0.2886751 0.1062473), wk = 0.0025707 k( 349) = ( 0.5000000 0.2886751 0.0956226), wk = 0.0025707 k( 350) = ( 0.5000000 0.2886751 0.0849978), wk = 0.0025707 k( 351) = ( 0.5000000 0.2886751 0.0743731), wk = 0.0025707 k( 352) = ( 0.5000000 0.2886751 0.0637484), wk = 0.0025707 k( 353) = ( 0.5000000 0.2886751 0.0531236), wk = 0.0025707 k( 354) = ( 0.5000000 0.2886751 0.0424989), wk = 0.0025707 k( 355) = ( 0.5000000 0.2886751 0.0318742), wk = 0.0025707 k( 356) = ( 0.5000000 0.2886751 0.0212495), wk = 0.0025707 k( 357) = ( 0.5000000 0.2886751 0.0106247), wk = 0.0025707 k( 358) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0025707 k( 359) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0025707 k( 360) = ( 0.3333333 0.5773503 0.0106247), wk = 0.0025707 k( 361) = ( 0.3333333 0.5773503 0.0212495), wk = 0.0025707 k( 362) = ( 0.3333333 0.5773503 0.0318742), wk = 0.0025707 k( 363) = ( 0.3333333 0.5773503 0.0424989), wk = 0.0025707 k( 364) = ( 0.3333333 0.5773503 0.0531236), wk = 0.0025707 k( 365) = ( 0.3333333 0.5773503 0.0637484), wk = 0.0025707 k( 366) = ( 0.3333333 0.5773503 0.0743731), wk = 0.0025707 k( 367) = ( 0.3333333 0.5773503 0.0849978), wk = 0.0025707 k( 368) = ( 0.3333333 0.5773503 0.0956226), wk = 0.0025707 k( 369) = ( 0.3333333 0.5773503 0.1062473), wk = 0.0025707 k( 370) = ( 0.3333333 0.5773503 0.1168720), wk = 0.0025707 k( 371) = ( 0.3333333 0.5773503 0.1274968), wk = 0.0025707 k( 372) = ( 0.3333333 0.5773503 0.1381215), wk = 0.0025707 k( 373) = ( 0.3333333 0.5773503 0.1487462), wk = 0.0025707 k( 374) = ( 0.3333333 0.5773503 0.1593710), wk = 0.0025707 k( 375) = ( 0.3333333 0.5773503 0.1699957), wk = 0.0025707 k( 376) = ( 0.3333333 0.5773503 0.1806204), wk = 0.0025707 k( 377) = ( 0.3333333 0.5773503 0.1912451), wk = 0.0025707 k( 378) = ( 0.3333333 0.5773503 0.2018699), wk = 0.0025707 k( 379) = ( 0.3333333 0.5773503 0.2124946), wk = 0.0025707 k( 380) = ( 0.3333333 0.5773503 0.2231193), wk = 0.0025707 k( 381) = ( 0.3333333 0.5773503 0.2337441), wk = 0.0025707 k( 382) = ( 0.3333333 0.5773503 0.2443688), wk = 0.0025707 k( 383) = ( 0.3333333 0.5773503 0.2549935), wk = 0.0025707 k( 384) = ( 0.3333333 0.5773503 0.2656183), wk = 0.0025707 k( 385) = ( 0.3333333 0.5773503 0.2762430), wk = 0.0025707 k( 386) = ( 0.3333333 0.5773503 0.2868677), wk = 0.0025707 k( 387) = ( 0.3333333 0.5773503 0.2974924), wk = 0.0025707 k( 388) = ( 0.3333333 0.5773503 0.3081172), wk = 0.0025707 k( 389) = ( 0.3333333 0.5773503 0.3187419), wk = 0.0025707 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025707 k( 2) = ( 0.0094340 -0.0000000 0.0000000), wk = 0.0025707 k( 3) = ( 0.0188679 -0.0000000 0.0000000), wk = 0.0025707 k( 4) = ( 0.0283019 0.0000000 0.0000000), wk = 0.0025707 k( 5) = ( 0.0377359 -0.0000000 -0.0000000), wk = 0.0025707 k( 6) = ( 0.0471698 0.0000000 0.0000000), wk = 0.0025707 k( 7) = ( 0.0566038 0.0000000 0.0000000), wk = 0.0025707 k( 8) = ( 0.0660377 0.0000000 0.0000000), wk = 0.0025707 k( 9) = ( 0.0754717 -0.0000000 -0.0000000), wk = 0.0025707 k( 10) = ( 0.0849057 0.0000000 0.0000000), wk = 0.0025707 k( 11) = ( 0.0943396 0.0000000 0.0000000), wk = 0.0025707 k( 12) = ( 0.1037736 0.0000000 0.0000000), wk = 0.0025707 k( 13) = ( 0.1132076 0.0000000 0.0000000), wk = 0.0025707 k( 14) = ( 0.1226415 0.0000000 0.0000000), wk = 0.0025707 k( 15) = ( 0.1320755 0.0000000 0.0000000), wk = 0.0025707 k( 16) = ( 0.1415094 0.0000000 -0.0000000), wk = 0.0025707 k( 17) = ( 0.1509434 -0.0000000 -0.0000000), wk = 0.0025707 k( 18) = ( 0.1603774 0.0000000 -0.0000000), wk = 0.0025707 k( 19) = ( 0.1698113 0.0000000 0.0000000), wk = 0.0025707 k( 20) = ( 0.1792453 0.0000000 0.0000000), wk = 0.0025707 k( 21) = ( 0.1886792 0.0000000 -0.0000000), wk = 0.0025707 k( 22) = ( 0.1981132 0.0000000 0.0000000), wk = 0.0025707 k( 23) = ( 0.2075472 0.0000000 0.0000000), wk = 0.0025707 k( 24) = ( 0.2169811 0.0000000 0.0000000), wk = 0.0025707 k( 25) = ( 0.2264151 0.0000000 0.0000000), wk = 0.0025707 k( 26) = ( 0.2358491 0.0000000 -0.0000000), wk = 0.0025707 k( 27) = ( 0.2452830 0.0000000 0.0000000), wk = 0.0025707 k( 28) = ( 0.2547170 0.0000000 0.0000000), wk = 0.0025707 k( 29) = ( 0.2641509 0.0000000 0.0000000), wk = 0.0025707 k( 30) = ( 0.2735849 0.0000000 -0.0000000), wk = 0.0025707 k( 31) = ( 0.2830189 -0.0000000 -0.0000000), wk = 0.0025707 k( 32) = ( 0.2924528 0.0000000 0.0000000), wk = 0.0025707 k( 33) = ( 0.3018868 0.0000000 0.0000000), wk = 0.0025707 k( 34) = ( 0.3113207 0.0000000 0.0000000), wk = 0.0025707 k( 35) = ( 0.3207547 0.0000000 -0.0000000), wk = 0.0025707 k( 36) = ( 0.3301887 0.0000000 0.0000000), wk = 0.0025707 k( 37) = ( 0.3396226 0.0000000 0.0000000), wk = 0.0025707 k( 38) = ( 0.3490566 0.0000000 0.0000000), wk = 0.0025707 k( 39) = ( 0.3584906 0.0000000 0.0000000), wk = 0.0025707 k( 40) = ( 0.3679245 0.0000000 0.0000000), wk = 0.0025707 k( 41) = ( 0.3773585 0.0000000 0.0000000), wk = 0.0025707 k( 42) = ( 0.3867925 0.0000000 0.0000000), wk = 0.0025707 k( 43) = ( 0.3962264 0.0000000 0.0000000), wk = 0.0025707 k( 44) = ( 0.4056604 0.0000000 0.0000000), wk = 0.0025707 k( 45) = ( 0.4150943 0.0000000 0.0000000), wk = 0.0025707 k( 46) = ( 0.4245283 0.0000000 0.0000000), wk = 0.0025707 k( 47) = ( 0.4339623 0.0000000 0.0000000), wk = 0.0025707 k( 48) = ( 0.4433962 0.0000000 0.0000000), wk = 0.0025707 k( 49) = ( 0.4528302 0.0000000 0.0000000), wk = 0.0025707 k( 50) = ( 0.4622641 0.0000000 -0.0000000), wk = 0.0025707 k( 51) = ( 0.4716981 0.0000000 0.0000000), wk = 0.0025707 k( 52) = ( 0.4811321 0.0000000 0.0000000), wk = 0.0025707 k( 53) = ( 0.4905660 0.0000000 0.0000000), wk = 0.0025707 k( 54) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025707 k( 55) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025707 k( 56) = ( 0.4946237 0.0107527 0.0000000), wk = 0.0025707 k( 57) = ( 0.4892473 0.0215054 0.0000000), wk = 0.0025707 k( 58) = ( 0.4838710 0.0322581 -0.0000000), wk = 0.0025707 k( 59) = ( 0.4784946 0.0430108 0.0000000), wk = 0.0025707 k( 60) = ( 0.4731183 0.0537634 0.0000000), wk = 0.0025707 k( 61) = ( 0.4677419 0.0645161 0.0000000), wk = 0.0025707 k( 62) = ( 0.4623656 0.0752688 -0.0000000), wk = 0.0025707 k( 63) = ( 0.4569893 0.0860215 0.0000000), wk = 0.0025707 k( 64) = ( 0.4516129 0.0967742 0.0000000), wk = 0.0025707 k( 65) = ( 0.4462366 0.1075269 0.0000000), wk = 0.0025707 k( 66) = ( 0.4408602 0.1182796 0.0000000), wk = 0.0025707 k( 67) = ( 0.4354839 0.1290323 0.0000000), wk = 0.0025707 k( 68) = ( 0.4301075 0.1397849 -0.0000000), wk = 0.0025707 k( 69) = ( 0.4247312 0.1505376 0.0000000), wk = 0.0025707 k( 70) = ( 0.4193548 0.1612903 0.0000000), wk = 0.0025707 k( 71) = ( 0.4139785 0.1720430 -0.0000000), wk = 0.0025707 k( 72) = ( 0.4086021 0.1827957 -0.0000000), wk = 0.0025707 k( 73) = ( 0.4032258 0.1935484 0.0000000), wk = 0.0025707 k( 74) = ( 0.3978495 0.2043011 0.0000000), wk = 0.0025707 k( 75) = ( 0.3924731 0.2150538 0.0000000), wk = 0.0025707 k( 76) = ( 0.3870968 0.2258065 0.0000000), wk = 0.0025707 k( 77) = ( 0.3817204 0.2365591 0.0000000), wk = 0.0025707 k( 78) = ( 0.3763441 0.2473118 0.0000000), wk = 0.0025707 k( 79) = ( 0.3709677 0.2580645 0.0000000), wk = 0.0025707 k( 80) = ( 0.3655914 0.2688172 -0.0000000), wk = 0.0025707 k( 81) = ( 0.3602150 0.2795699 -0.0000000), wk = 0.0025707 k( 82) = ( 0.3548387 0.2903226 0.0000000), wk = 0.0025707 k( 83) = ( 0.3494624 0.3010753 -0.0000000), wk = 0.0025707 k( 84) = ( 0.3440860 0.3118280 -0.0000000), wk = 0.0025707 k( 85) = ( 0.3387097 0.3225807 -0.0000000), wk = 0.0025707 k( 86) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0025707 k( 87) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0025707 k( 88) = ( 0.3278688 0.3278688 -0.0000000), wk = 0.0025707 k( 89) = ( 0.3224044 0.3224044 -0.0000000), wk = 0.0025707 k( 90) = ( 0.3169399 0.3169399 -0.0000000), wk = 0.0025707 k( 91) = ( 0.3114754 0.3114754 -0.0000000), wk = 0.0025707 k( 92) = ( 0.3060109 0.3060109 -0.0000000), wk = 0.0025707 k( 93) = ( 0.3005465 0.3005464 -0.0000000), wk = 0.0025707 k( 94) = ( 0.2950820 0.2950820 0.0000000), wk = 0.0025707 k( 95) = ( 0.2896175 0.2896175 -0.0000000), wk = 0.0025707 k( 96) = ( 0.2841530 0.2841530 0.0000000), wk = 0.0025707 k( 97) = ( 0.2786885 0.2786885 -0.0000000), wk = 0.0025707 k( 98) = ( 0.2732240 0.2732240 0.0000000), wk = 0.0025707 k( 99) = ( 0.2677596 0.2677596 -0.0000000), wk = 0.0025707 k( 100) = ( 0.2622951 0.2622951 -0.0000000), wk = 0.0025707 k( 101) = ( 0.2568306 0.2568306 0.0000000), wk = 0.0025707 k( 102) = ( 0.2513661 0.2513661 -0.0000000), wk = 0.0025707 k( 103) = ( 0.2459016 0.2459016 -0.0000000), wk = 0.0025707 k( 104) = ( 0.2404372 0.2404372 0.0000000), wk = 0.0025707 k( 105) = ( 0.2349727 0.2349727 -0.0000000), wk = 0.0025707 k( 106) = ( 0.2295082 0.2295082 0.0000000), wk = 0.0025707 k( 107) = ( 0.2240437 0.2240437 0.0000000), wk = 0.0025707 k( 108) = ( 0.2185792 0.2185792 -0.0000000), wk = 0.0025707 k( 109) = ( 0.2131147 0.2131147 0.0000000), wk = 0.0025707 k( 110) = ( 0.2076503 0.2076503 0.0000000), wk = 0.0025707 k( 111) = ( 0.2021858 0.2021858 0.0000000), wk = 0.0025707 k( 112) = ( 0.1967213 0.1967213 -0.0000000), wk = 0.0025707 k( 113) = ( 0.1912568 0.1912568 -0.0000000), wk = 0.0025707 k( 114) = ( 0.1857923 0.1857923 -0.0000000), wk = 0.0025707 k( 115) = ( 0.1803279 0.1803279 -0.0000000), wk = 0.0025707 k( 116) = ( 0.1748634 0.1748634 0.0000000), wk = 0.0025707 k( 117) = ( 0.1693989 0.1693989 0.0000000), wk = 0.0025707 k( 118) = ( 0.1639344 0.1639344 -0.0000000), wk = 0.0025707 k( 119) = ( 0.1584699 0.1584700 0.0000000), wk = 0.0025707 k( 120) = ( 0.1530055 0.1530055 -0.0000000), wk = 0.0025707 k( 121) = ( 0.1475410 0.1475410 0.0000000), wk = 0.0025707 k( 122) = ( 0.1420765 0.1420765 -0.0000000), wk = 0.0025707 k( 123) = ( 0.1366120 0.1366120 0.0000000), wk = 0.0025707 k( 124) = ( 0.1311475 0.1311475 -0.0000000), wk = 0.0025707 k( 125) = ( 0.1256831 0.1256831 -0.0000000), wk = 0.0025707 k( 126) = ( 0.1202186 0.1202186 0.0000000), wk = 0.0025707 k( 127) = ( 0.1147541 0.1147541 0.0000000), wk = 0.0025707 k( 128) = ( 0.1092896 0.1092896 -0.0000000), wk = 0.0025707 k( 129) = ( 0.1038251 0.1038251 0.0000000), wk = 0.0025707 k( 130) = ( 0.0983607 0.0983607 -0.0000000), wk = 0.0025707 k( 131) = ( 0.0928962 0.0928962 -0.0000000), wk = 0.0025707 k( 132) = ( 0.0874317 0.0874317 0.0000000), wk = 0.0025707 k( 133) = ( 0.0819672 0.0819672 -0.0000000), wk = 0.0025707 k( 134) = ( 0.0765027 0.0765027 -0.0000000), wk = 0.0025707 k( 135) = ( 0.0710382 0.0710382 -0.0000000), wk = 0.0025707 k( 136) = ( 0.0655738 0.0655738 -0.0000000), wk = 0.0025707 k( 137) = ( 0.0601093 0.0601093 0.0000000), wk = 0.0025707 k( 138) = ( 0.0546448 0.0546448 -0.0000000), wk = 0.0025707 k( 139) = ( 0.0491803 0.0491803 -0.0000000), wk = 0.0025707 k( 140) = ( 0.0437159 0.0437159 -0.0000000), wk = 0.0025707 k( 141) = ( 0.0382514 0.0382514 0.0000000), wk = 0.0025707 k( 142) = ( 0.0327869 0.0327869 -0.0000000), wk = 0.0025707 k( 143) = ( 0.0273224 0.0273224 0.0000000), wk = 0.0025707 k( 144) = ( 0.0218579 0.0218579 -0.0000000), wk = 0.0025707 k( 145) = ( 0.0163934 0.0163934 0.0000000), wk = 0.0025707 k( 146) = ( 0.0109290 0.0109290 -0.0000000), wk = 0.0025707 k( 147) = ( 0.0054645 0.0054645 -0.0000000), wk = 0.0025707 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025707 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025707 k( 150) = ( 0.0000000 0.0000000 0.0166667), wk = 0.0025707 k( 151) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0025707 k( 152) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0025707 k( 153) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0025707 k( 154) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0025707 k( 155) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0025707 k( 156) = ( 0.0000000 0.0000000 0.1166667), wk = 0.0025707 k( 157) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0025707 k( 158) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0025707 k( 159) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0025707 k( 160) = ( 0.0000000 0.0000000 0.1833333), wk = 0.0025707 k( 161) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0025707 k( 162) = ( 0.0000000 0.0000000 0.2166667), wk = 0.0025707 k( 163) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0025707 k( 164) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0025707 k( 165) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0025707 k( 166) = ( 0.0000000 0.0000000 0.2833333), wk = 0.0025707 k( 167) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0025707 k( 168) = ( 0.0000000 0.0000000 0.3166667), wk = 0.0025707 k( 169) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0025707 k( 170) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0025707 k( 171) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0025707 k( 172) = ( 0.0000000 0.0000000 0.3833333), wk = 0.0025707 k( 173) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0025707 k( 174) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0025707 k( 175) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0025707 k( 176) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0025707 k( 177) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0025707 k( 178) = ( 0.0000000 0.0000000 0.4833333), wk = 0.0025707 k( 179) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025707 k( 180) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025707 k( 181) = ( 0.0094340 -0.0000000 0.5000000), wk = 0.0025707 k( 182) = ( 0.0188679 -0.0000000 0.5000000), wk = 0.0025707 k( 183) = ( 0.0283019 0.0000000 0.5000000), wk = 0.0025707 k( 184) = ( 0.0377359 -0.0000000 0.5000000), wk = 0.0025707 k( 185) = ( 0.0471698 0.0000000 0.5000000), wk = 0.0025707 k( 186) = ( 0.0566038 0.0000000 0.5000000), wk = 0.0025707 k( 187) = ( 0.0660377 0.0000000 0.5000000), wk = 0.0025707 k( 188) = ( 0.0754717 -0.0000000 0.5000000), wk = 0.0025707 k( 189) = ( 0.0849057 0.0000000 0.5000000), wk = 0.0025707 k( 190) = ( 0.0943396 0.0000000 0.5000000), wk = 0.0025707 k( 191) = ( 0.1037736 0.0000000 0.5000000), wk = 0.0025707 k( 192) = ( 0.1132076 0.0000000 0.5000000), wk = 0.0025707 k( 193) = ( 0.1226415 0.0000000 0.5000000), wk = 0.0025707 k( 194) = ( 0.1320755 0.0000000 0.5000000), wk = 0.0025707 k( 195) = ( 0.1415094 0.0000000 0.5000000), wk = 0.0025707 k( 196) = ( 0.1509434 -0.0000000 0.5000000), wk = 0.0025707 k( 197) = ( 0.1603774 0.0000000 0.5000000), wk = 0.0025707 k( 198) = ( 0.1698113 0.0000000 0.5000000), wk = 0.0025707 k( 199) = ( 0.1792453 0.0000000 0.5000000), wk = 0.0025707 k( 200) = ( 0.1886792 0.0000000 0.5000000), wk = 0.0025707 k( 201) = ( 0.1981132 0.0000000 0.5000000), wk = 0.0025707 k( 202) = ( 0.2075472 0.0000000 0.5000000), wk = 0.0025707 k( 203) = ( 0.2169811 0.0000000 0.5000000), wk = 0.0025707 k( 204) = ( 0.2264151 0.0000000 0.5000000), wk = 0.0025707 k( 205) = ( 0.2358491 0.0000000 0.5000000), wk = 0.0025707 k( 206) = ( 0.2452830 0.0000000 0.5000000), wk = 0.0025707 k( 207) = ( 0.2547170 0.0000000 0.5000000), wk = 0.0025707 k( 208) = ( 0.2641509 0.0000000 0.5000000), wk = 0.0025707 k( 209) = ( 0.2735849 0.0000000 0.5000000), wk = 0.0025707 k( 210) = ( 0.2830189 -0.0000000 0.5000000), wk = 0.0025707 k( 211) = ( 0.2924528 0.0000000 0.5000000), wk = 0.0025707 k( 212) = ( 0.3018868 0.0000000 0.5000000), wk = 0.0025707 k( 213) = ( 0.3113207 0.0000000 0.5000000), wk = 0.0025707 k( 214) = ( 0.3207547 0.0000000 0.5000000), wk = 0.0025707 k( 215) = ( 0.3301887 0.0000000 0.5000000), wk = 0.0025707 k( 216) = ( 0.3396226 0.0000000 0.5000000), wk = 0.0025707 k( 217) = ( 0.3490566 0.0000000 0.5000000), wk = 0.0025707 k( 218) = ( 0.3584906 0.0000000 0.5000000), wk = 0.0025707 k( 219) = ( 0.3679245 0.0000000 0.5000000), wk = 0.0025707 k( 220) = ( 0.3773585 0.0000000 0.5000000), wk = 0.0025707 k( 221) = ( 0.3867925 0.0000000 0.5000000), wk = 0.0025707 k( 222) = ( 0.3962264 0.0000000 0.5000000), wk = 0.0025707 k( 223) = ( 0.4056604 0.0000000 0.5000000), wk = 0.0025707 k( 224) = ( 0.4150943 0.0000000 0.5000000), wk = 0.0025707 k( 225) = ( 0.4245283 0.0000000 0.5000000), wk = 0.0025707 k( 226) = ( 0.4339623 0.0000000 0.5000000), wk = 0.0025707 k( 227) = ( 0.4433962 0.0000000 0.5000000), wk = 0.0025707 k( 228) = ( 0.4528302 0.0000000 0.5000000), wk = 0.0025707 k( 229) = ( 0.4622641 0.0000000 0.5000000), wk = 0.0025707 k( 230) = ( 0.4716981 0.0000000 0.5000000), wk = 0.0025707 k( 231) = ( 0.4811321 0.0000000 0.5000000), wk = 0.0025707 k( 232) = ( 0.4905660 0.0000000 0.5000000), wk = 0.0025707 k( 233) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025707 k( 234) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025707 k( 235) = ( 0.4946237 0.0107527 0.5000000), wk = 0.0025707 k( 236) = ( 0.4892473 0.0215054 0.5000000), wk = 0.0025707 k( 237) = ( 0.4838710 0.0322581 0.5000000), wk = 0.0025707 k( 238) = ( 0.4784946 0.0430108 0.5000000), wk = 0.0025707 k( 239) = ( 0.4731183 0.0537634 0.5000000), wk = 0.0025707 k( 240) = ( 0.4677419 0.0645161 0.5000000), wk = 0.0025707 k( 241) = ( 0.4623656 0.0752688 0.5000000), wk = 0.0025707 k( 242) = ( 0.4569893 0.0860215 0.5000000), wk = 0.0025707 k( 243) = ( 0.4516129 0.0967742 0.5000000), wk = 0.0025707 k( 244) = ( 0.4462366 0.1075269 0.5000000), wk = 0.0025707 k( 245) = ( 0.4408602 0.1182796 0.5000000), wk = 0.0025707 k( 246) = ( 0.4354839 0.1290323 0.5000000), wk = 0.0025707 k( 247) = ( 0.4301075 0.1397849 0.5000000), wk = 0.0025707 k( 248) = ( 0.4247312 0.1505376 0.5000000), wk = 0.0025707 k( 249) = ( 0.4193548 0.1612903 0.5000000), wk = 0.0025707 k( 250) = ( 0.4139785 0.1720430 0.5000000), wk = 0.0025707 k( 251) = ( 0.4086021 0.1827957 0.5000000), wk = 0.0025707 k( 252) = ( 0.4032258 0.1935484 0.5000000), wk = 0.0025707 k( 253) = ( 0.3978495 0.2043011 0.5000000), wk = 0.0025707 k( 254) = ( 0.3924731 0.2150538 0.5000000), wk = 0.0025707 k( 255) = ( 0.3870968 0.2258065 0.5000000), wk = 0.0025707 k( 256) = ( 0.3817204 0.2365591 0.5000000), wk = 0.0025707 k( 257) = ( 0.3763441 0.2473118 0.5000000), wk = 0.0025707 k( 258) = ( 0.3709677 0.2580645 0.5000000), wk = 0.0025707 k( 259) = ( 0.3655914 0.2688172 0.5000000), wk = 0.0025707 k( 260) = ( 0.3602150 0.2795699 0.5000000), wk = 0.0025707 k( 261) = ( 0.3548387 0.2903226 0.5000000), wk = 0.0025707 k( 262) = ( 0.3494624 0.3010753 0.5000000), wk = 0.0025707 k( 263) = ( 0.3440860 0.3118280 0.5000000), wk = 0.0025707 k( 264) = ( 0.3387097 0.3225807 0.5000000), wk = 0.0025707 k( 265) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0025707 k( 266) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0025707 k( 267) = ( 0.3278688 0.3278688 0.5000000), wk = 0.0025707 k( 268) = ( 0.3224044 0.3224044 0.5000000), wk = 0.0025707 k( 269) = ( 0.3169399 0.3169399 0.5000000), wk = 0.0025707 k( 270) = ( 0.3114754 0.3114754 0.5000000), wk = 0.0025707 k( 271) = ( 0.3060109 0.3060109 0.5000000), wk = 0.0025707 k( 272) = ( 0.3005465 0.3005464 0.5000000), wk = 0.0025707 k( 273) = ( 0.2950820 0.2950820 0.5000000), wk = 0.0025707 k( 274) = ( 0.2896175 0.2896175 0.5000000), wk = 0.0025707 k( 275) = ( 0.2841530 0.2841530 0.5000000), wk = 0.0025707 k( 276) = ( 0.2786885 0.2786885 0.5000000), wk = 0.0025707 k( 277) = ( 0.2732240 0.2732240 0.5000000), wk = 0.0025707 k( 278) = ( 0.2677596 0.2677596 0.5000000), wk = 0.0025707 k( 279) = ( 0.2622951 0.2622951 0.5000000), wk = 0.0025707 k( 280) = ( 0.2568306 0.2568306 0.5000000), wk = 0.0025707 k( 281) = ( 0.2513661 0.2513661 0.5000000), wk = 0.0025707 k( 282) = ( 0.2459016 0.2459016 0.5000000), wk = 0.0025707 k( 283) = ( 0.2404372 0.2404372 0.5000000), wk = 0.0025707 k( 284) = ( 0.2349727 0.2349727 0.5000000), wk = 0.0025707 k( 285) = ( 0.2295082 0.2295082 0.5000000), wk = 0.0025707 k( 286) = ( 0.2240437 0.2240437 0.5000000), wk = 0.0025707 k( 287) = ( 0.2185792 0.2185792 0.5000000), wk = 0.0025707 k( 288) = ( 0.2131147 0.2131147 0.5000000), wk = 0.0025707 k( 289) = ( 0.2076503 0.2076503 0.5000000), wk = 0.0025707 k( 290) = ( 0.2021858 0.2021858 0.5000000), wk = 0.0025707 k( 291) = ( 0.1967213 0.1967213 0.5000000), wk = 0.0025707 k( 292) = ( 0.1912568 0.1912568 0.5000000), wk = 0.0025707 k( 293) = ( 0.1857923 0.1857923 0.5000000), wk = 0.0025707 k( 294) = ( 0.1803279 0.1803279 0.5000000), wk = 0.0025707 k( 295) = ( 0.1748634 0.1748634 0.5000000), wk = 0.0025707 k( 296) = ( 0.1693989 0.1693989 0.5000000), wk = 0.0025707 k( 297) = ( 0.1639344 0.1639344 0.5000000), wk = 0.0025707 k( 298) = ( 0.1584699 0.1584700 0.5000000), wk = 0.0025707 k( 299) = ( 0.1530055 0.1530055 0.5000000), wk = 0.0025707 k( 300) = ( 0.1475410 0.1475410 0.5000000), wk = 0.0025707 k( 301) = ( 0.1420765 0.1420765 0.5000000), wk = 0.0025707 k( 302) = ( 0.1366120 0.1366120 0.5000000), wk = 0.0025707 k( 303) = ( 0.1311475 0.1311475 0.5000000), wk = 0.0025707 k( 304) = ( 0.1256831 0.1256831 0.5000000), wk = 0.0025707 k( 305) = ( 0.1202186 0.1202186 0.5000000), wk = 0.0025707 k( 306) = ( 0.1147541 0.1147541 0.5000000), wk = 0.0025707 k( 307) = ( 0.1092896 0.1092896 0.5000000), wk = 0.0025707 k( 308) = ( 0.1038251 0.1038251 0.5000000), wk = 0.0025707 k( 309) = ( 0.0983607 0.0983607 0.5000000), wk = 0.0025707 k( 310) = ( 0.0928962 0.0928962 0.5000000), wk = 0.0025707 k( 311) = ( 0.0874317 0.0874317 0.5000000), wk = 0.0025707 k( 312) = ( 0.0819672 0.0819672 0.5000000), wk = 0.0025707 k( 313) = ( 0.0765027 0.0765027 0.5000000), wk = 0.0025707 k( 314) = ( 0.0710382 0.0710382 0.5000000), wk = 0.0025707 k( 315) = ( 0.0655738 0.0655738 0.5000000), wk = 0.0025707 k( 316) = ( 0.0601093 0.0601093 0.5000000), wk = 0.0025707 k( 317) = ( 0.0546448 0.0546448 0.5000000), wk = 0.0025707 k( 318) = ( 0.0491803 0.0491803 0.5000000), wk = 0.0025707 k( 319) = ( 0.0437159 0.0437159 0.5000000), wk = 0.0025707 k( 320) = ( 0.0382514 0.0382514 0.5000000), wk = 0.0025707 k( 321) = ( 0.0327869 0.0327869 0.5000000), wk = 0.0025707 k( 322) = ( 0.0273224 0.0273224 0.5000000), wk = 0.0025707 k( 323) = ( 0.0218579 0.0218579 0.5000000), wk = 0.0025707 k( 324) = ( 0.0163934 0.0163934 0.5000000), wk = 0.0025707 k( 325) = ( 0.0109290 0.0109290 0.5000000), wk = 0.0025707 k( 326) = ( 0.0054645 0.0054645 0.5000000), wk = 0.0025707 k( 327) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025707 k( 328) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025707 k( 329) = ( 0.5000000 0.0000000 0.4833333), wk = 0.0025707 k( 330) = ( 0.5000000 0.0000000 0.4666667), wk = 0.0025707 k( 331) = ( 0.5000000 0.0000000 0.4500000), wk = 0.0025707 k( 332) = ( 0.5000000 0.0000000 0.4333333), wk = 0.0025707 k( 333) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0025707 k( 334) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0025707 k( 335) = ( 0.5000000 0.0000000 0.3833333), wk = 0.0025707 k( 336) = ( 0.5000000 0.0000000 0.3666667), wk = 0.0025707 k( 337) = ( 0.5000000 0.0000000 0.3500000), wk = 0.0025707 k( 338) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0025707 k( 339) = ( 0.5000000 0.0000000 0.3166667), wk = 0.0025707 k( 340) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0025707 k( 341) = ( 0.5000000 0.0000000 0.2833333), wk = 0.0025707 k( 342) = ( 0.5000000 0.0000000 0.2666667), wk = 0.0025707 k( 343) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0025707 k( 344) = ( 0.5000000 0.0000000 0.2333333), wk = 0.0025707 k( 345) = ( 0.5000000 0.0000000 0.2166667), wk = 0.0025707 k( 346) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0025707 k( 347) = ( 0.5000000 0.0000000 0.1833333), wk = 0.0025707 k( 348) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0025707 k( 349) = ( 0.5000000 0.0000000 0.1500000), wk = 0.0025707 k( 350) = ( 0.5000000 0.0000000 0.1333333), wk = 0.0025707 k( 351) = ( 0.5000000 0.0000000 0.1166667), wk = 0.0025707 k( 352) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0025707 k( 353) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0025707 k( 354) = ( 0.5000000 0.0000000 0.0666667), wk = 0.0025707 k( 355) = ( 0.5000000 0.0000000 0.0500000), wk = 0.0025707 k( 356) = ( 0.5000000 0.0000000 0.0333333), wk = 0.0025707 k( 357) = ( 0.5000000 0.0000000 0.0166667), wk = 0.0025707 k( 358) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025707 k( 359) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0025707 k( 360) = ( 0.3333333 0.3333333 0.0166667), wk = 0.0025707 k( 361) = ( 0.3333333 0.3333333 0.0333333), wk = 0.0025707 k( 362) = ( 0.3333333 0.3333333 0.0500000), wk = 0.0025707 k( 363) = ( 0.3333333 0.3333333 0.0666667), wk = 0.0025707 k( 364) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0025707 k( 365) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0025707 k( 366) = ( 0.3333333 0.3333333 0.1166667), wk = 0.0025707 k( 367) = ( 0.3333333 0.3333333 0.1333333), wk = 0.0025707 k( 368) = ( 0.3333333 0.3333333 0.1500000), wk = 0.0025707 k( 369) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0025707 k( 370) = ( 0.3333333 0.3333333 0.1833333), wk = 0.0025707 k( 371) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0025707 k( 372) = ( 0.3333333 0.3333333 0.2166667), wk = 0.0025707 k( 373) = ( 0.3333333 0.3333333 0.2333333), wk = 0.0025707 k( 374) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0025707 k( 375) = ( 0.3333333 0.3333333 0.2666667), wk = 0.0025707 k( 376) = ( 0.3333333 0.3333333 0.2833333), wk = 0.0025707 k( 377) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0025707 k( 378) = ( 0.3333333 0.3333333 0.3166667), wk = 0.0025707 k( 379) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0025707 k( 380) = ( 0.3333333 0.3333333 0.3500000), wk = 0.0025707 k( 381) = ( 0.3333333 0.3333333 0.3666667), wk = 0.0025707 k( 382) = ( 0.3333333 0.3333333 0.3833333), wk = 0.0025707 k( 383) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0025707 k( 384) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0025707 k( 385) = ( 0.3333333 0.3333333 0.4333333), wk = 0.0025707 k( 386) = ( 0.3333333 0.3333333 0.4500000), wk = 0.0025707 k( 387) = ( 0.3333333 0.3333333 0.4666667), wk = 0.0025707 k( 388) = ( 0.3333333 0.3333333 0.4833333), wk = 0.0025707 k( 389) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0025707 Dense grid: 22945 G-vectors FFT dimensions: ( 32, 32, 50) Smooth grid: 13801 G-vectors FFT dimensions: ( 27, 27, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.04 Mb ( 70, 40) NL pseudopotentials 0.07 Mb ( 35, 136) Each V/rho on FFT grid 0.03 Mb ( 2048) Each G-vector array 0.00 Mb ( 480) G-vector shells 0.00 Mb ( 247) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.17 Mb ( 70, 160) Each subspace H/S matrix 0.39 Mb ( 160, 160) Each matrix 0.17 Mb ( 136, 2, 40) The potential is recalculated from file : ./NiS.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 41.2 secs Computing kpt #: 2 total cpu time spent up to now is 41.9 secs Computing kpt #: 3 total cpu time spent up to now is 42.6 secs Computing kpt #: 4 total cpu time spent up to now is 43.3 secs Computing kpt #: 5 total cpu time spent up to now is 44.0 secs Computing kpt #: 6 total cpu time spent up to now is 44.7 secs Computing kpt #: 7 total cpu time spent up to now is 45.4 secs Computing kpt #: 8 total cpu time spent up to now is 46.1 secs Computing kpt #: 9 total cpu time spent up to now is 46.9 secs Computing kpt #: 10 total cpu time spent up to now is 47.6 secs Computing kpt #: 11 total cpu time spent up to now is 48.3 secs Computing kpt #: 12 total cpu time spent up to now is 49.0 secs Computing kpt #: 13 total cpu time spent up to now is 49.7 secs Computing kpt #: 14 total cpu time spent up to now is 50.5 secs Computing kpt #: 15 total cpu time spent up to now is 51.2 secs Computing kpt #: 16 total cpu time spent up to now is 51.9 secs Computing kpt #: 17 total cpu time spent up to now is 52.7 secs Computing kpt #: 18 total cpu time spent up to now is 53.4 secs Computing kpt #: 19 total cpu time spent up to now is 54.2 secs Computing kpt #: 20 total cpu time spent up to now is 55.0 secs Computing kpt #: 21 total cpu time spent up to now is 55.8 secs Computing kpt #: 22 total cpu time spent up to now is 56.7 secs Computing kpt #: 23 total cpu time spent up to now is 57.6 secs Computing kpt #: 24 total cpu time spent up to now is 58.8 secs Computing kpt #: 25 total cpu time spent up to now is 59.8 secs Computing kpt #: 26 total cpu time spent up to now is 60.8 secs Computing kpt #: 27 total cpu time spent up to now is 62.0 secs Computing kpt #: 28 total cpu time spent up to now is 63.2 secs Computing kpt #: 29 total cpu time spent up to now is 64.3 secs Computing kpt #: 30 total cpu time spent up to now is 66.9 secs Computing kpt #: 31 total cpu time spent up to now is 68.2 secs Computing kpt #: 32 total cpu time spent up to now is 69.7 secs Computing kpt #: 33 total cpu time spent up to now is 70.9 secs Computing kpt #: 34 total cpu time spent up to now is 72.2 secs Computing kpt #: 35 total cpu time spent up to now is 73.5 secs Computing kpt #: 36 total cpu time spent up to now is 74.6 secs Computing kpt #: 37 total cpu time spent up to now is 76.4 secs Computing kpt #: 38 total cpu time spent up to now is 77.6 secs Computing kpt #: 39 total cpu time spent up to now is 78.6 secs Computing kpt #: 40 total cpu time spent up to now is 80.1 secs Computing kpt #: 41 total cpu time spent up to now is 81.2 secs Computing kpt #: 42 total cpu time spent up to now is 82.2 secs Computing kpt #: 43 total cpu time spent up to now is 83.2 secs Computing kpt #: 44 total cpu time spent up to now is 84.4 secs Computing kpt #: 45 total cpu time spent up to now is 85.6 secs Computing kpt #: 46 total cpu time spent up to now is 86.6 secs Computing kpt #: 47 total cpu time spent up to now is 88.0 secs Computing kpt #: 48 total cpu time spent up to now is 88.9 secs Computing kpt #: 49 total cpu time spent up to now is 89.9 secs Computing kpt #: 50 total cpu time spent up to now is 91.1 secs Computing kpt #: 51 total cpu time spent up to now is 92.2 secs Computing kpt #: 52 total cpu time spent up to now is 93.7 secs Computing kpt #: 53 total cpu time spent up to now is 95.0 secs Computing kpt #: 54 total cpu time spent up to now is 96.0 secs Computing kpt #: 55 total cpu time spent up to now is 97.5 secs Computing kpt #: 56 total cpu time spent up to now is 99.1 secs Computing kpt #: 57 total cpu time spent up to now is 100.7 secs Computing kpt #: 58 total cpu time spent up to now is 102.0 secs Computing kpt #: 59 total cpu time spent up to now is 103.4 secs Computing kpt #: 60 total cpu time spent up to now is 104.7 secs Computing kpt #: 61 total cpu time spent up to now is 105.6 secs Computing kpt #: 62 total cpu time spent up to now is 106.7 secs Computing kpt #: 63 total cpu time spent up to now is 108.0 secs Computing kpt #: 64 total cpu time spent up to now is 109.2 secs Computing kpt #: 65 total cpu time spent up to now is 110.3 secs Computing kpt #: 66 total cpu time spent up to now is 111.6 secs Computing kpt #: 67 total cpu time spent up to now is 112.7 secs Computing kpt #: 68 total cpu time spent up to now is 113.8 secs Computing kpt #: 69 total cpu time spent up to now is 115.0 secs Computing kpt #: 70 total cpu time spent up to now is 116.5 secs Computing kpt #: 71 total cpu time spent up to now is 117.9 secs Computing kpt #: 72 total cpu time spent up to now is 119.3 secs Computing kpt #: 73 total cpu time spent up to now is 120.5 secs Computing kpt #: 74 total cpu time spent up to now is 121.9 secs Computing kpt #: 75 total cpu time spent up to now is 122.8 secs Computing kpt #: 76 total cpu time spent up to now is 123.7 secs Computing kpt #: 77 total cpu time spent up to now is 124.9 secs Computing kpt #: 78 total cpu time spent up to now is 126.4 secs Computing kpt #: 79 total cpu time spent up to now is 127.9 secs Computing kpt #: 80 total cpu time spent up to now is 129.0 secs Computing kpt #: 81 total cpu time spent up to now is 129.9 secs Computing kpt #: 82 total cpu time spent up to now is 131.2 secs Computing kpt #: 83 total cpu time spent up to now is 132.2 secs Computing kpt #: 84 total cpu time spent up to now is 133.3 secs Computing kpt #: 85 total cpu time spent up to now is 134.5 secs Computing kpt #: 86 total cpu time spent up to now is 135.5 secs Computing kpt #: 87 total cpu time spent up to now is 136.4 secs Computing kpt #: 88 total cpu time spent up to now is 137.3 secs Computing kpt #: 89 total cpu time spent up to now is 138.6 secs Computing kpt #: 90 total cpu time spent up to now is 139.6 secs Computing kpt #: 91 total cpu time spent up to now is 140.5 secs Computing kpt #: 92 total cpu time spent up to now is 142.4 secs Computing kpt #: 93 total cpu time spent up to now is 143.4 secs Computing kpt #: 94 total cpu time spent up to now is 144.7 secs Computing kpt #: 95 total cpu time spent up to now is 145.9 secs Computing kpt #: 96 total cpu time spent up to now is 147.4 secs Computing kpt #: 97 total cpu time spent up to now is 149.3 secs Computing kpt #: 98 total cpu time spent up to now is 151.1 secs Computing kpt #: 99 total cpu time spent up to now is 152.9 secs Computing kpt #: 100 total cpu time spent up to now is 154.5 secs Computing kpt #: 101 total cpu time spent up to now is 155.8 secs Computing kpt #: 102 total cpu time spent up to now is 156.8 secs Computing kpt #: 103 total cpu time spent up to now is 157.7 secs Computing kpt #: 104 total cpu time spent up to now is 158.7 secs Computing kpt #: 105 total cpu time spent up to now is 159.6 secs Computing kpt #: 106 total cpu time spent up to now is 160.8 secs Computing kpt #: 107 total cpu time spent up to now is 161.9 secs Computing kpt #: 108 total cpu time spent up to now is 163.7 secs Computing kpt #: 109 total cpu time spent up to now is 164.7 secs Computing kpt #: 110 total cpu time spent up to now is 165.7 secs Computing kpt #: 111 total cpu time spent up to now is 166.8 secs Computing kpt #: 112 total cpu time spent up to now is 167.9 secs Computing kpt #: 113 total cpu time spent up to now is 169.2 secs Computing kpt #: 114 total cpu time spent up to now is 170.4 secs Computing kpt #: 115 total cpu time spent up to now is 171.5 secs Computing kpt #: 116 total cpu time spent up to now is 173.1 secs Computing kpt #: 117 total cpu time spent up to now is 174.3 secs Computing kpt #: 118 total cpu time spent up to now is 176.1 secs Computing kpt #: 119 total cpu time spent up to now is 177.1 secs Computing kpt #: 120 total cpu time spent up to now is 178.2 secs Computing kpt #: 121 total cpu time spent up to now is 180.1 secs Computing kpt #: 122 total cpu time spent up to now is 181.8 secs Computing kpt #: 123 total cpu time spent up to now is 183.0 secs Computing kpt #: 124 total cpu time spent up to now is 184.0 secs Computing kpt #: 125 total cpu time spent up to now is 187.2 secs Computing kpt #: 126 total cpu time spent up to now is 188.3 secs Computing kpt #: 127 total cpu time spent up to now is 189.4 secs Computing kpt #: 128 total cpu time spent up to now is 190.4 secs Computing kpt #: 129 total cpu time spent up to now is 191.4 secs Computing kpt #: 130 total cpu time spent up to now is 192.7 secs Computing kpt #: 131 total cpu time spent up to now is 194.3 secs Computing kpt #: 132 total cpu time spent up to now is 195.9 secs Computing kpt #: 133 total cpu time spent up to now is 196.9 secs Computing kpt #: 134 total cpu time spent up to now is 197.7 secs Computing kpt #: 135 total cpu time spent up to now is 198.8 secs Computing kpt #: 136 total cpu time spent up to now is 199.7 secs Computing kpt #: 137 total cpu time spent up to now is 200.5 secs Computing kpt #: 138 total cpu time spent up to now is 201.4 secs Computing kpt #: 139 total cpu time spent up to now is 202.4 secs Computing kpt #: 140 total cpu time spent up to now is 203.2 secs Computing kpt #: 141 total cpu time spent up to now is 203.9 secs Computing kpt #: 142 total cpu time spent up to now is 204.6 secs Computing kpt #: 143 total cpu time spent up to now is 205.4 secs Computing kpt #: 144 total cpu time spent up to now is 206.6 secs Computing kpt #: 145 total cpu time spent up to now is 208.3 secs Computing kpt #: 146 total cpu time spent up to now is 209.1 secs Computing kpt #: 147 total cpu time spent up to now is 210.4 secs Computing kpt #: 148 total cpu time spent up to now is 211.5 secs Computing kpt #: 149 total cpu time spent up to now is 212.1 secs Computing kpt #: 150 total cpu time spent up to now is 212.8 secs Computing kpt #: 151 total cpu time spent up to now is 213.4 secs Computing kpt #: 152 total cpu time spent up to now is 214.1 secs Computing kpt #: 153 total cpu time spent up to now is 214.8 secs Computing kpt #: 154 total cpu time spent up to now is 215.4 secs Computing kpt #: 155 total cpu time spent up to now is 216.1 secs Computing kpt #: 156 total cpu time spent up to now is 217.2 secs Computing kpt #: 157 total cpu time spent up to now is 217.8 secs Computing kpt #: 158 total cpu time spent up to now is 219.1 secs Computing kpt #: 159 total cpu time spent up to now is 220.3 secs Computing kpt #: 160 total cpu time spent up to now is 221.1 secs Computing kpt #: 161 total cpu time spent up to now is 221.9 secs Computing kpt #: 162 total cpu time spent up to now is 222.6 secs Computing kpt #: 163 total cpu time spent up to now is 223.3 secs Computing kpt #: 164 total cpu time spent up to now is 224.0 secs Computing kpt #: 165 total cpu time spent up to now is 224.8 secs Computing kpt #: 166 total cpu time spent up to now is 225.6 secs Computing kpt #: 167 total cpu time spent up to now is 226.4 secs Computing kpt #: 168 total cpu time spent up to now is 227.3 secs Computing kpt #: 169 total cpu time spent up to now is 228.2 secs Computing kpt #: 170 total cpu time spent up to now is 229.9 secs Computing kpt #: 171 total cpu time spent up to now is 230.8 secs Computing kpt #: 172 total cpu time spent up to now is 231.6 secs Computing kpt #: 173 total cpu time spent up to now is 232.4 secs Computing kpt #: 174 total cpu time spent up to now is 233.1 secs Computing kpt #: 175 total cpu time spent up to now is 233.9 secs Computing kpt #: 176 total cpu time spent up to now is 236.1 secs Computing kpt #: 177 total cpu time spent up to now is 237.1 secs Computing kpt #: 178 total cpu time spent up to now is 238.3 secs Computing kpt #: 179 total cpu time spent up to now is 239.8 secs Computing kpt #: 180 total cpu time spent up to now is 241.0 secs Computing kpt #: 181 total cpu time spent up to now is 242.4 secs Computing kpt #: 182 total cpu time spent up to now is 243.6 secs Computing kpt #: 183 total cpu time spent up to now is 245.5 secs Computing kpt #: 184 total cpu time spent up to now is 246.5 secs Computing kpt #: 185 total cpu time spent up to now is 247.3 secs Computing kpt #: 186 total cpu time spent up to now is 248.1 secs Computing kpt #: 187 total cpu time spent up to now is 248.9 secs Computing kpt #: 188 total cpu time spent up to now is 250.3 secs Computing kpt #: 189 total cpu time spent up to now is 251.6 secs Computing kpt #: 190 total cpu time spent up to now is 253.0 secs Computing kpt #: 191 total cpu time spent up to now is 254.5 secs Computing kpt #: 192 total cpu time spent up to now is 255.7 secs Computing kpt #: 193 total cpu time spent up to now is 257.1 secs Computing kpt #: 194 total cpu time spent up to now is 259.7 secs Computing kpt #: 195 total cpu time spent up to now is 260.6 secs Computing kpt #: 196 total cpu time spent up to now is 261.4 secs Computing kpt #: 197 total cpu time spent up to now is 263.2 secs Computing kpt #: 198 total cpu time spent up to now is 264.2 secs Computing kpt #: 199 total cpu time spent up to now is 265.3 secs Computing kpt #: 200 total cpu time spent up to now is 266.2 secs Computing kpt #: 201 total cpu time spent up to now is 267.2 secs Computing kpt #: 202 total cpu time spent up to now is 268.5 secs Computing kpt #: 203 total cpu time spent up to now is 269.8 secs Computing kpt #: 204 total cpu time spent up to now is 271.8 secs Computing kpt #: 205 total cpu time spent up to now is 272.8 secs Computing kpt #: 206 total cpu time spent up to now is 273.9 secs Computing kpt #: 207 total cpu time spent up to now is 274.7 secs Computing kpt #: 208 total cpu time spent up to now is 275.7 secs Computing kpt #: 209 total cpu time spent up to now is 277.1 secs Computing kpt #: 210 total cpu time spent up to now is 278.0 secs Computing kpt #: 211 total cpu time spent up to now is 279.0 secs Computing kpt #: 212 total cpu time spent up to now is 280.0 secs Computing kpt #: 213 total cpu time spent up to now is 280.7 secs Computing kpt #: 214 total cpu time spent up to now is 281.4 secs Computing kpt #: 215 total cpu time spent up to now is 282.1 secs Computing kpt #: 216 total cpu time spent up to now is 283.5 secs Computing kpt #: 217 total cpu time spent up to now is 284.5 secs Computing kpt #: 218 total cpu time spent up to now is 285.4 secs Computing kpt #: 219 total cpu time spent up to now is 286.3 secs Computing kpt #: 220 total cpu time spent up to now is 287.2 secs Computing kpt #: 221 total cpu time spent up to now is 287.9 secs Computing kpt #: 222 total cpu time spent up to now is 288.8 secs Computing kpt #: 223 total cpu time spent up to now is 289.7 secs Computing kpt #: 224 total cpu time spent up to now is 290.6 secs Computing kpt #: 225 total cpu time spent up to now is 291.6 secs Computing kpt #: 226 total cpu time spent up to now is 292.8 secs Computing kpt #: 227 total cpu time spent up to now is 293.5 secs Computing kpt #: 228 total cpu time spent up to now is 294.1 secs Computing kpt #: 229 total cpu time spent up to now is 294.8 secs Computing kpt #: 230 total cpu time spent up to now is 295.4 secs Computing kpt #: 231 total cpu time spent up to now is 296.1 secs Computing kpt #: 232 total cpu time spent up to now is 296.7 secs Computing kpt #: 233 total cpu time spent up to now is 297.8 secs Computing kpt #: 234 total cpu time spent up to now is 298.5 secs Computing kpt #: 235 total cpu time spent up to now is 299.2 secs Computing kpt #: 236 total cpu time spent up to now is 300.1 secs Computing kpt #: 237 total cpu time spent up to now is 301.0 secs Computing kpt #: 238 total cpu time spent up to now is 301.9 secs Computing kpt #: 239 total cpu time spent up to now is 303.2 secs Computing kpt #: 240 total cpu time spent up to now is 303.9 secs Computing kpt #: 241 total cpu time spent up to now is 304.6 secs Computing kpt #: 242 total cpu time spent up to now is 305.6 secs Computing kpt #: 243 total cpu time spent up to now is 306.3 secs Computing kpt #: 244 total cpu time spent up to now is 307.1 secs Computing kpt #: 245 total cpu time spent up to now is 308.1 secs Computing kpt #: 246 total cpu time spent up to now is 308.9 secs Computing kpt #: 247 total cpu time spent up to now is 309.7 secs Computing kpt #: 248 total cpu time spent up to now is 310.6 secs Computing kpt #: 249 total cpu time spent up to now is 311.4 secs Computing kpt #: 250 total cpu time spent up to now is 312.1 secs Computing kpt #: 251 total cpu time spent up to now is 312.8 secs Computing kpt #: 252 total cpu time spent up to now is 313.5 secs Computing kpt #: 253 total cpu time spent up to now is 314.2 secs Computing kpt #: 254 total cpu time spent up to now is 315.0 secs Computing kpt #: 255 total cpu time spent up to now is 316.0 secs Computing kpt #: 256 total cpu time spent up to now is 317.0 secs Computing kpt #: 257 total cpu time spent up to now is 318.6 secs Computing kpt #: 258 total cpu time spent up to now is 320.0 secs Computing kpt #: 259 total cpu time spent up to now is 321.0 secs Computing kpt #: 260 total cpu time spent up to now is 322.3 secs Computing kpt #: 261 total cpu time spent up to now is 323.7 secs Computing kpt #: 262 total cpu time spent up to now is 325.2 secs Computing kpt #: 263 total cpu time spent up to now is 326.5 secs Computing kpt #: 264 total cpu time spent up to now is 328.1 secs Computing kpt #: 265 total cpu time spent up to now is 329.7 secs Computing kpt #: 266 total cpu time spent up to now is 331.0 secs Computing kpt #: 267 total cpu time spent up to now is 332.3 secs Computing kpt #: 268 total cpu time spent up to now is 333.2 secs Computing kpt #: 269 total cpu time spent up to now is 334.2 secs Computing kpt #: 270 total cpu time spent up to now is 335.1 secs Computing kpt #: 271 total cpu time spent up to now is 336.0 secs Computing kpt #: 272 total cpu time spent up to now is 337.0 secs Computing kpt #: 273 total cpu time spent up to now is 337.8 secs Computing kpt #: 274 total cpu time spent up to now is 338.7 secs Computing kpt #: 275 total cpu time spent up to now is 339.9 secs Computing kpt #: 276 total cpu time spent up to now is 341.3 secs Computing kpt #: 277 total cpu time spent up to now is 342.2 secs Computing kpt #: 278 total cpu time spent up to now is 343.4 secs Computing kpt #: 279 total cpu time spent up to now is 344.2 secs Computing kpt #: 280 total cpu time spent up to now is 345.1 secs Computing kpt #: 281 total cpu time spent up to now is 346.0 secs Computing kpt #: 282 total cpu time spent up to now is 347.0 secs Computing kpt #: 283 total cpu time spent up to now is 347.8 secs Computing kpt #: 284 total cpu time spent up to now is 348.6 secs Computing kpt #: 285 total cpu time spent up to now is 349.4 secs Computing kpt #: 286 total cpu time spent up to now is 350.2 secs Computing kpt #: 287 total cpu time spent up to now is 351.6 secs Computing kpt #: 288 total cpu time spent up to now is 352.4 secs Computing kpt #: 289 total cpu time spent up to now is 353.4 secs Computing kpt #: 290 total cpu time spent up to now is 354.6 secs Computing kpt #: 291 total cpu time spent up to now is 355.6 secs Computing kpt #: 292 total cpu time spent up to now is 356.4 secs Computing kpt #: 293 total cpu time spent up to now is 357.1 secs Computing kpt #: 294 total cpu time spent up to now is 357.8 secs Computing kpt #: 295 total cpu time spent up to now is 358.6 secs Computing kpt #: 296 total cpu time spent up to now is 359.4 secs Computing kpt #: 297 total cpu time spent up to now is 360.2 secs Computing kpt #: 298 total cpu time spent up to now is 361.1 secs Computing kpt #: 299 total cpu time spent up to now is 362.1 secs Computing kpt #: 300 total cpu time spent up to now is 363.9 secs Computing kpt #: 301 total cpu time spent up to now is 364.9 secs Computing kpt #: 302 total cpu time spent up to now is 365.8 secs Computing kpt #: 303 total cpu time spent up to now is 367.0 secs Computing kpt #: 304 total cpu time spent up to now is 368.0 secs Computing kpt #: 305 total cpu time spent up to now is 369.5 secs Computing kpt #: 306 total cpu time spent up to now is 370.8 secs Computing kpt #: 307 total cpu time spent up to now is 372.1 secs Computing kpt #: 308 total cpu time spent up to now is 373.6 secs Computing kpt #: 309 total cpu time spent up to now is 374.6 secs Computing kpt #: 310 total cpu time spent up to now is 375.4 secs Computing kpt #: 311 total cpu time spent up to now is 376.3 secs Computing kpt #: 312 total cpu time spent up to now is 377.4 secs Computing kpt #: 313 total cpu time spent up to now is 378.5 secs Computing kpt #: 314 total cpu time spent up to now is 380.0 secs Computing kpt #: 315 total cpu time spent up to now is 380.9 secs Computing kpt #: 316 total cpu time spent up to now is 381.8 secs Computing kpt #: 317 total cpu time spent up to now is 382.6 secs Computing kpt #: 318 total cpu time spent up to now is 383.4 secs Computing kpt #: 319 total cpu time spent up to now is 384.2 secs Computing kpt #: 320 total cpu time spent up to now is 385.2 secs Computing kpt #: 321 total cpu time spent up to now is 386.0 secs Computing kpt #: 322 total cpu time spent up to now is 386.7 secs Computing kpt #: 323 total cpu time spent up to now is 387.5 secs Computing kpt #: 324 total cpu time spent up to now is 388.2 secs Computing kpt #: 325 total cpu time spent up to now is 389.0 secs Computing kpt #: 326 total cpu time spent up to now is 389.8 secs Computing kpt #: 327 total cpu time spent up to now is 391.2 secs Computing kpt #: 328 total cpu time spent up to now is 392.3 secs Computing kpt #: 329 total cpu time spent up to now is 393.5 secs Computing kpt #: 330 total cpu time spent up to now is 394.1 secs Computing kpt #: 331 total cpu time spent up to now is 394.8 secs Computing kpt #: 332 total cpu time spent up to now is 395.5 secs Computing kpt #: 333 total cpu time spent up to now is 396.2 secs Computing kpt #: 334 total cpu time spent up to now is 397.3 secs Computing kpt #: 335 total cpu time spent up to now is 398.1 secs Computing kpt #: 336 total cpu time spent up to now is 399.3 secs Computing kpt #: 337 total cpu time spent up to now is 400.4 secs Computing kpt #: 338 total cpu time spent up to now is 401.4 secs Computing kpt #: 339 total cpu time spent up to now is 402.2 secs Computing kpt #: 340 total cpu time spent up to now is 402.9 secs Computing kpt #: 341 total cpu time spent up to now is 403.6 secs Computing kpt #: 342 total cpu time spent up to now is 404.5 secs Computing kpt #: 343 total cpu time spent up to now is 405.7 secs Computing kpt #: 344 total cpu time spent up to now is 406.5 secs Computing kpt #: 345 total cpu time spent up to now is 407.5 secs Computing kpt #: 346 total cpu time spent up to now is 408.8 secs Computing kpt #: 347 total cpu time spent up to now is 409.7 secs Computing kpt #: 348 total cpu time spent up to now is 410.6 secs Computing kpt #: 349 total cpu time spent up to now is 411.9 secs Computing kpt #: 350 total cpu time spent up to now is 413.2 secs Computing kpt #: 351 total cpu time spent up to now is 414.1 secs Computing kpt #: 352 total cpu time spent up to now is 415.0 secs Computing kpt #: 353 total cpu time spent up to now is 416.0 secs Computing kpt #: 354 total cpu time spent up to now is 417.5 secs Computing kpt #: 355 total cpu time spent up to now is 418.5 secs Computing kpt #: 356 total cpu time spent up to now is 420.2 secs Computing kpt #: 357 total cpu time spent up to now is 422.0 secs Computing kpt #: 358 total cpu time spent up to now is 423.7 secs Computing kpt #: 359 total cpu time spent up to now is 425.2 secs Computing kpt #: 360 total cpu time spent up to now is 426.6 secs Computing kpt #: 361 total cpu time spent up to now is 427.8 secs Computing kpt #: 362 total cpu time spent up to now is 428.9 secs Computing kpt #: 363 total cpu time spent up to now is 429.8 secs Computing kpt #: 364 total cpu time spent up to now is 430.7 secs Computing kpt #: 365 total cpu time spent up to now is 431.8 secs Computing kpt #: 366 total cpu time spent up to now is 435.0 secs Computing kpt #: 367 total cpu time spent up to now is 436.1 secs Computing kpt #: 368 total cpu time spent up to now is 437.8 secs Computing kpt #: 369 total cpu time spent up to now is 439.6 secs Computing kpt #: 370 total cpu time spent up to now is 441.4 secs Computing kpt #: 371 total cpu time spent up to now is 443.1 secs Computing kpt #: 372 total cpu time spent up to now is 445.0 secs Computing kpt #: 373 total cpu time spent up to now is 446.9 secs Computing kpt #: 374 total cpu time spent up to now is 449.4 secs Computing kpt #: 375 total cpu time spent up to now is 451.5 secs Computing kpt #: 376 total cpu time spent up to now is 453.7 secs Computing kpt #: 377 total cpu time spent up to now is 456.2 secs Computing kpt #: 378 total cpu time spent up to now is 458.3 secs Computing kpt #: 379 total cpu time spent up to now is 459.7 secs Computing kpt #: 380 total cpu time spent up to now is 461.0 secs Computing kpt #: 381 total cpu time spent up to now is 462.2 secs Computing kpt #: 382 total cpu time spent up to now is 463.7 secs Computing kpt #: 383 total cpu time spent up to now is 465.2 secs Computing kpt #: 384 total cpu time spent up to now is 466.6 secs Computing kpt #: 385 total cpu time spent up to now is 468.2 secs Computing kpt #: 386 total cpu time spent up to now is 469.3 secs Computing kpt #: 387 total cpu time spent up to now is 470.4 secs Computing kpt #: 388 total cpu time spent up to now is 471.4 secs Computing kpt #: 389 total cpu time spent up to now is 472.4 secs ethr = 3.13E-11, avg # of iterations = 27.9 total cpu time spent up to now is 472.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1749 PWs) bands (ev): -4.7662 -4.7662 -2.6432 -2.6432 3.2425 3.2425 6.2028 6.2028 6.2037 6.2037 7.6911 7.6911 8.2496 8.2496 8.3510 8.3510 8.4714 8.4714 8.4944 8.4944 9.3322 9.3322 9.3606 9.3606 9.6216 9.6216 9.6867 9.6867 9.9766 9.9766 10.3605 10.3605 12.3044 12.3044 12.3469 12.3469 14.5517 14.5517 14.8708 14.8708 k = 0.0094 0.0054-0.0000 ( 1745 PWs) bands (ev): -4.7652 -4.7652 -2.6429 -2.6427 3.2438 3.2439 6.2021 6.2021 6.2035 6.2036 7.6880 7.6906 8.2464 8.2465 8.3422 8.3494 8.4692 8.4693 8.4994 8.4998 9.3312 9.3330 9.3606 9.3606 9.6066 9.6252 9.6813 9.6836 9.9820 9.9920 10.3603 10.3603 12.3008 12.3008 12.3435 12.3437 14.5596 14.5604 14.8767 14.8770 k = 0.0189 0.0109-0.0000 ( 1749 PWs) bands (ev): -4.7621 -4.7620 -2.6418 -2.6416 3.2476 3.2479 6.1990 6.1991 6.2037 6.2039 7.6811 7.6864 8.2363 8.2375 8.3233 8.3384 8.4650 8.4673 8.5088 8.5116 9.3297 9.3336 9.3603 9.3606 9.5771 9.6173 9.6686 9.6805 10.0071 10.0229 10.3599 10.3599 12.2883 12.2887 12.3352 12.3354 14.5837 14.5853 14.8948 14.8952 k = 0.0283 0.0163-0.0000 ( 1743 PWs) bands (ev): -4.7568 -4.7567 -2.6400 -2.6396 3.2541 3.2544 6.1939 6.1941 6.2042 6.2045 7.6702 7.6781 8.2201 8.2237 8.2968 8.3204 8.4607 8.4679 8.5182 8.5256 9.3276 9.3339 9.3596 9.3607 9.5360 9.5921 9.6609 9.6814 10.0459 10.0630 10.3591 10.3592 12.2644 12.2657 12.3252 12.3256 14.6231 14.6255 14.9246 14.9252 k = 0.0377 0.0218-0.0000 ( 1743 PWs) bands (ev): -4.7494 -4.7493 -2.6374 -2.6370 3.2631 3.2636 6.1867 6.1869 6.2049 6.2054 7.6547 7.6653 8.1990 8.2058 8.2651 8.2973 8.4548 8.4703 8.5250 8.5399 9.3246 9.3337 9.3582 9.3609 9.4890 9.5538 9.6604 9.6855 10.0927 10.1086 10.3579 10.3580 12.2292 12.2312 12.3149 12.3160 14.6762 14.6793 14.9659 14.9667 k = 0.0472 0.0272-0.0000 ( 1739 PWs) bands (ev): -4.7400 -4.7398 -2.6341 -2.6336 3.2748 3.2754 6.1775 6.1778 6.2060 6.2065 7.6341 7.6474 8.1744 8.1848 8.2302 8.2706 8.4458 8.4727 8.5287 8.5540 9.3206 9.3324 9.3559 9.3608 9.4413 9.5106 9.6634 9.6917 10.1441 10.1574 10.3565 10.3567 12.1842 12.1869 12.3043 12.3059 14.7412 14.7449 15.0183 15.0193 k = 0.0566 0.0327-0.0000 ( 1739 PWs) bands (ev): -4.7284 -4.7282 -2.6301 -2.6294 3.2890 3.2897 6.1663 6.1666 6.2072 6.2078 7.6075 7.6233 8.1477 8.1613 8.1938 8.2411 8.4323 8.4720 8.5304 8.5675 9.3151 9.3270 9.3518 9.3601 9.3993 9.4678 9.6681 9.6994 10.1984 10.2083 10.3546 10.3549 12.1316 12.1348 12.2929 12.2950 14.8158 14.8200 15.0812 15.0823 k = 0.0660 0.0381-0.0000 ( 1739 PWs) bands (ev): -4.7148 -4.7146 -2.6254 -2.6246 3.3058 3.3066 6.1530 6.1533 6.2086 6.2093 7.5741 7.5922 8.1205 8.1358 8.1574 8.2093 8.4135 8.4643 8.5328 8.5805 9.3071 9.3083 9.3462 9.3575 9.3741 9.4299 9.6740 9.7080 10.2546 10.2607 10.3524 10.3531 12.0729 12.0764 12.2807 12.2832 14.8979 14.9026 15.1540 15.1552 k = 0.0755 0.0436-0.0000 ( 1739 PWs) bands (ev): -4.6992 -4.6989 -2.6201 -2.6192 3.3251 3.3260 6.1377 6.1381 6.2102 6.2110 7.5332 7.5531 8.0937 8.1087 8.1222 8.1758 8.3888 8.4467 8.5381 8.5932 9.2753 9.2949 9.3426 9.3506 9.3649 9.4028 9.6806 9.7171 10.3118 10.3129 10.3500 10.3523 12.0094 12.0133 12.2677 12.2707 14.9853 14.9904 15.2359 15.2371 k = 0.0849 0.0490-0.0000 ( 1739 PWs) bands (ev): -4.6815 -4.6812 -2.6140 -2.6130 3.3470 3.3480 6.1204 6.1208 6.2120 6.2129 7.4841 7.5052 8.0682 8.0785 8.0908 8.1409 8.3579 8.4189 8.5460 8.6055 9.2406 9.2768 9.3395 9.3403 9.3611 9.3896 9.6875 9.7264 10.3420 10.3457 10.3714 10.3753 11.9422 11.9463 12.2541 12.2575 15.0760 15.0814 15.3259 15.3271 k = 0.0943 0.0545-0.0000 ( 1739 PWs) bands (ev): -4.6617 -4.6614 -2.6074 -2.6063 3.3714 3.3725 6.1011 6.1016 6.2140 6.2150 7.4267 7.4483 8.0442 8.0447 8.0645 8.1048 8.3212 8.3823 8.5559 8.6176 9.2096 9.2541 9.3289 9.3381 9.3590 9.3848 9.6944 9.7355 10.3410 10.3427 10.4288 10.4299 11.8723 11.8766 12.2402 12.2440 15.1681 15.1736 15.4227 15.4238 k = 0.1038 0.0599-0.0000 ( 1739 PWs) bands (ev): -4.6400 -4.6396 -2.6001 -2.5989 3.3983 3.3995 6.0798 6.0803 6.2161 6.2172 7.3609 7.3823 8.0096 8.0217 8.0413 8.0681 8.2792 8.3385 8.5671 8.6298 9.1838 9.2306 9.3205 9.3355 9.3576 9.3832 9.7011 9.7440 10.3375 10.3388 10.4848 10.4892 11.8005 11.8048 12.2262 12.2304 15.2599 15.2655 15.5248 15.5258 k = 0.1132 0.0654-0.0000 ( 1735 PWs) bands (ev): -4.6162 -4.6159 -2.5923 -2.5910 3.4277 3.4291 6.0563 6.0569 6.2185 6.2196 7.2873 7.3077 7.9739 7.9997 8.0204 8.0316 8.2331 8.2896 8.5792 8.6421 9.1633 9.2092 9.3135 9.3326 9.3567 9.3828 9.7072 9.7519 10.3332 10.3343 10.5416 10.5487 11.7273 11.7317 12.2123 12.2170 15.3497 15.3554 15.6303 15.6313 k = 0.1226 0.0708-0.0000 ( 1733 PWs) bands (ev): -4.5906 -4.5902 -2.5839 -2.5826 3.4596 3.4610 6.0309 6.0315 6.2209 6.2222 7.2059 7.2252 7.9375 7.9751 7.9972 8.0004 8.1846 8.2377 8.5920 8.6546 9.1476 9.1911 9.3074 9.3292 9.3560 9.3830 9.7124 9.7587 10.3282 10.3293 10.5985 10.6081 11.6534 11.6577 12.1989 12.2040 15.4357 15.4416 15.7374 15.7384 k = 0.1321 0.0763-0.0000 ( 1733 PWs) bands (ev): -4.5630 -4.5625 -2.5751 -2.5736 3.4939 3.4954 6.0032 6.0040 6.2235 6.2248 7.1178 7.1355 7.9008 7.9435 7.9687 7.9799 8.1357 8.1852 8.6054 8.6673 9.1360 9.1765 9.3016 9.3254 9.3554 9.3832 9.7164 9.7641 10.3226 10.3238 10.6552 10.6670 11.5792 11.5833 12.1862 12.1917 15.5161 15.5220 15.8444 15.8456 k = 0.1415 0.0817-0.0000 ( 1733 PWs) bands (ev): -4.5335 -4.5330 -2.5658 -2.5643 3.5307 3.5322 5.9733 5.9741 6.2261 6.2276 7.0238 7.0398 7.8638 7.9068 7.9420 7.9560 8.0900 8.1353 8.6193 8.6804 9.1279 9.1651 9.2960 9.3213 9.3549 9.3835 9.7191 9.7682 10.3165 10.3176 10.7113 10.7252 11.5053 11.5090 12.1743 12.1802 15.5887 15.5947 15.9497 15.9513 k = 0.1509 0.0871-0.0000 ( 1729 PWs) bands (ev): -4.5021 -4.5016 -2.5561 -2.5545 3.5698 3.5714 5.9410 5.9419 6.2289 6.2304 6.9250 6.9393 7.8265 7.8685 7.9113 7.9249 8.0517 8.0913 8.6336 8.6938 9.1227 9.1567 9.2907 9.3171 9.3545 9.3838 9.7203 9.7705 10.3096 10.3109 10.7664 10.7824 11.4324 11.4354 12.1635 12.1698 15.6515 15.6577 16.0521 16.0543 k = 0.1604 0.0926-0.0000 ( 1729 PWs) bands (ev): -4.4689 -4.4684 -2.5461 -2.5444 3.6112 3.6129 5.9060 5.9070 6.2317 6.2333 6.8222 6.8349 7.7890 7.8297 7.8733 7.8841 8.0237 8.0557 8.6484 8.7075 9.1196 9.1507 9.2854 9.3126 9.3540 9.3841 9.7197 9.7711 10.3021 10.3034 10.8197 10.8379 11.3608 11.3628 12.1540 12.1607 15.7029 15.7092 16.1507 16.1537 k = 0.1698 0.0980-0.0000 ( 1729 PWs) bands (ev): -4.4340 -4.4335 -2.5358 -2.5340 3.6549 3.6568 5.8681 5.8692 6.2346 6.2363 6.7168 6.7280 7.7514 7.7910 7.8276 7.8356 8.0045 8.0291 8.6635 8.7215 9.1185 9.1469 9.2802 9.3081 9.3535 9.3843 9.7173 9.7698 10.2938 10.2953 10.8701 10.8911 11.2917 11.2920 12.1458 12.1529 15.7419 15.7483 16.2446 16.2485 k = 0.1792 0.1035-0.0000 ( 1731 PWs) bands (ev): -4.3973 -4.3967 -2.5252 -2.5234 3.7010 3.7028 5.8266 5.8278 6.2375 6.2392 6.6101 6.6199 7.7135 7.7526 7.7763 7.7829 7.9906 8.0094 8.6790 8.7359 9.1188 9.1447 9.2752 9.3035 9.3530 9.3845 9.7131 9.7666 10.2848 10.2863 10.9155 10.9401 11.2249 11.2274 12.1391 12.1465 15.7686 15.7749 16.3326 16.3376 k = 0.1887 0.1089-0.0000 ( 1732 PWs) bands (ev): -4.3589 -4.3584 -2.5145 -2.5126 3.7492 3.7511 5.7810 5.7824 6.2404 6.2422 6.5036 6.5121 7.6750 7.7145 7.7217 7.7290 7.9801 7.9944 8.6947 8.7506 9.1201 9.1439 9.2705 9.2990 9.3525 9.3848 9.7069 9.7615 10.2749 10.2766 10.9503 10.9802 11.1661 11.1732 12.1339 12.1417 15.7837 15.7899 16.4133 16.4197 k = 0.1981 0.1144-0.0000 ( 1736 PWs) bands (ev): -4.3189 -4.3183 -2.5036 -2.5017 3.7996 3.8016 5.7304 5.7320 6.2431 6.2450 6.3988 6.4063 7.6347 7.6650 7.6765 7.6775 7.9713 7.9825 8.7107 8.7656 9.1223 9.1441 9.2658 9.2943 9.3520 9.3850 9.6988 9.7545 10.2641 10.2660 10.9610 10.9945 11.1324 11.1427 12.1303 12.1384 15.7884 15.7947 16.4851 16.4930 k = 0.2075 0.1198-0.0000 ( 1732 PWs) bands (ev): -4.2773 -4.2767 -2.4928 -2.4908 3.8521 3.8541 5.6739 5.6757 6.2454 6.2476 6.2980 6.3046 7.5901 7.6083 7.6289 7.6407 7.9637 7.9725 8.7269 8.7808 9.1253 9.1452 9.2616 9.2899 9.3515 9.3853 9.6888 9.7457 10.2523 10.2544 10.9361 10.9642 11.1427 11.1473 12.1281 12.1365 15.7845 15.7908 16.5461 16.5557 k = 0.2170 0.1253-0.0000 ( 1732 PWs) bands (ev): -4.2342 -4.2336 -2.4819 -2.4799 3.9067 3.9087 5.6102 5.6124 6.2011 6.2057 6.2504 6.2515 7.5402 7.5516 7.5876 7.6048 7.9567 7.9635 8.7433 8.7963 9.1287 9.1468 9.2576 9.2855 9.3510 9.3857 9.6771 9.7351 10.2395 10.2418 10.8884 10.9106 11.1742 11.1755 12.1275 12.1362 15.7736 15.7799 16.5944 16.6061 k = 0.2264 0.1307-0.0000 ( 1726 PWs) bands (ev): -4.1897 -4.1890 -2.4712 -2.4692 3.9633 3.9653 5.5384 5.5409 6.1127 6.1168 6.2523 6.2539 7.4874 7.4954 7.5508 7.5699 7.9502 7.9555 8.7598 8.8120 9.1323 9.1486 9.2542 9.2813 9.3506 9.3862 9.6637 9.7230 10.2257 10.2282 10.8328 10.8516 11.2083 11.2130 12.1284 12.1373 15.7571 15.7636 16.6281 16.6428 k = 0.2358 0.1362-0.0000 ( 1726 PWs) bands (ev): -4.1437 -4.1431 -2.4607 -2.4586 4.0218 4.0238 5.4582 5.4610 6.0321 6.0355 6.2548 6.2564 7.4337 7.4399 7.5164 7.5359 7.9437 7.9478 8.7763 8.8277 9.1358 9.1502 9.2513 9.2774 9.3503 9.3867 9.6486 9.7093 10.2107 10.2134 10.7753 10.7920 11.2435 11.2501 12.1305 12.1397 15.7364 15.7431 16.6453 16.6647 k = 0.2453 0.1416-0.0000 ( 1730 PWs) bands (ev): -4.0965 -4.0958 -2.4505 -2.4484 4.0821 4.0842 5.3697 5.3728 5.9597 5.9625 6.2571 6.2588 7.3800 7.3851 7.4837 7.5030 7.9373 7.9403 8.7929 8.8434 9.1391 9.1515 9.2492 9.2737 9.3499 9.3873 9.6321 9.6942 10.1945 10.1974 10.7183 10.7336 11.2775 11.2851 12.1339 12.1432 15.7124 15.7195 16.6382 16.6707 k = 0.2547 0.1471-0.0000 ( 1724 PWs) bands (ev): -4.0480 -4.0473 -2.4406 -2.4385 4.1442 4.1462 5.2741 5.2775 5.8952 5.8974 6.2593 6.2611 7.3269 7.3312 7.4524 7.4712 7.9309 7.9330 8.8094 8.8592 9.1421 9.1524 9.2480 9.2707 9.3497 9.3881 9.6144 9.6781 10.1770 10.1801 10.6629 10.6772 11.3092 11.3173 12.1384 12.1479 15.6861 15.6937 16.5701 16.5783 k = 0.2642 0.1525-0.0000 ( 1724 PWs) bands (ev): -3.9984 -3.9977 -2.4312 -2.4291 4.2080 4.2099 5.1730 5.1766 5.8375 5.8393 6.2614 6.2631 7.2745 7.2782 7.4225 7.4407 7.9243 7.9256 8.8258 8.8749 9.1444 9.1525 9.2475 9.2679 9.3495 9.3890 9.5955 9.6610 10.1583 10.1614 10.6095 10.6231 11.3380 11.3462 12.1439 12.1535 15.6581 15.6663 16.4614 16.4623 k = 0.2736 0.1580-0.0000 ( 1724 PWs) bands (ev): -3.9477 -3.9470 -2.4224 -2.4203 4.2734 4.2750 5.0680 5.0719 5.7855 5.7869 6.2632 6.2649 7.2227 7.2261 7.3938 7.4113 7.9176 7.9182 8.8420 8.8903 9.1459 9.1519 9.2478 9.2657 9.3494 9.3901 9.5757 9.6431 10.1381 10.1413 10.5587 10.5716 11.3635 11.3717 12.1503 12.1599 15.6288 15.6377 16.3522 16.3548 k = 0.2830 0.1634-0.0000 ( 1724 PWs) bands (ev): -3.8961 -3.8954 -2.4142 -2.4121 4.3401 4.3414 4.9607 4.9651 5.7380 5.7392 6.2648 6.2665 7.1718 7.1748 7.3665 7.3833 7.9106 7.9106 8.8580 8.9056 9.1465 9.1505 9.2488 9.2640 9.3493 9.3913 9.5551 9.6246 10.1166 10.1198 10.5106 10.5229 11.3857 11.3936 12.1574 12.1671 15.5986 15.6084 16.2515 16.2539 k = 0.2925 0.1688-0.0000 ( 1726 PWs) bands (ev): -3.8436 -3.8429 -2.4068 -2.4048 4.4081 4.4085 4.8525 4.8578 5.6943 5.6953 6.2662 6.2679 7.1215 7.1244 7.3406 7.3566 7.9029 7.9034 8.8736 8.9204 9.1461 9.1484 9.2501 9.2627 9.3492 9.3926 9.5340 9.6059 10.0937 10.0967 10.4653 10.4772 11.4043 11.4119 12.1652 12.1747 15.5677 15.5786 16.1595 16.1610 k = 0.3019 0.1743-0.0000 ( 1720 PWs) bands (ev): -3.7904 -3.7896 -2.4002 -2.3982 4.4752 4.4766 4.7451 4.7523 5.6537 5.6545 6.2674 6.2690 7.0721 7.0748 7.3160 7.3313 7.8950 7.8959 8.8890 8.9349 9.1447 9.1459 9.2518 9.2620 9.3492 9.3941 9.5126 9.5871 10.0695 10.0723 10.4232 10.4347 11.4195 11.4266 12.1734 12.1829 15.5364 15.5484 16.0762 16.0766 k = 0.3113 0.1797-0.0000 ( 1724 PWs) bands (ev): -3.7365 -3.7358 -2.3947 -2.3927 4.5332 4.5419 4.6430 4.6574 5.6158 5.6163 6.2682 6.2698 7.0233 7.0258 7.2928 7.3073 7.8869 7.8882 8.9039 8.9486 9.1421 9.1431 9.2534 9.2615 9.3489 9.3956 9.4909 9.5682 10.0440 10.0465 10.3841 10.3953 11.4312 11.4377 12.1819 12.1913 15.5048 15.5178 16.0010 16.0019 k = 0.3208 0.1852-0.0000 ( 1724 PWs) bands (ev): -3.6822 -3.6815 -2.3902 -2.3883 4.5116 4.5208 4.6301 4.6451 5.5802 5.5805 6.2688 6.2703 6.9750 6.9775 7.2710 7.2848 7.8787 7.8803 8.9184 8.9616 9.1387 9.1403 9.2548 9.2612 9.3486 9.3971 9.4695 9.5498 10.0173 10.0193 10.3482 10.3591 11.4396 11.4455 12.1907 12.1999 15.4730 15.4871 15.9341 15.9364 k = 0.3302 0.1906-0.0000 ( 1730 PWs) bands (ev): -3.6275 -3.6268 -2.3869 -2.3850 4.4190 4.4220 4.6979 4.7068 5.5467 5.5468 6.2691 6.2706 6.9273 6.9297 7.2506 7.2636 7.8703 7.8722 8.9322 8.9737 9.1342 9.1375 9.2558 9.2609 9.3479 9.3984 9.4485 9.5320 9.9895 9.9908 10.3153 10.3261 11.4449 11.4501 12.1997 12.2087 15.4412 15.4562 15.8758 15.8794 k = 0.3396 0.1961-0.0000 ( 1730 PWs) bands (ev): -3.5726 -3.5719 -2.3849 -2.3831 4.3210 4.3223 4.7702 4.7774 5.5151 5.5153 6.2692 6.2706 6.8800 6.8824 7.2316 7.2439 7.8618 7.8640 8.9456 8.9848 9.1290 9.1351 9.2561 9.2606 9.3469 9.3985 9.4292 9.5150 9.9608 9.9615 10.2856 10.2962 11.4474 11.4520 12.2086 12.2174 15.4097 15.4255 15.8258 15.8305 k = 0.3491 0.2015-0.0000 ( 1724 PWs) bands (ev): -3.5176 -3.5170 -2.3842 -2.3825 4.2247 4.2253 4.8435 4.8501 5.4855 5.4860 6.2690 6.2704 6.8331 6.8355 7.2140 7.2256 7.8534 7.8557 8.9586 8.9948 9.1230 9.1333 9.2557 9.2601 9.3455 9.3939 9.4155 9.4993 9.9315 9.9316 10.2590 10.2694 11.4475 11.4513 12.2175 12.2259 15.3788 15.3950 15.7835 15.7891 k = 0.3585 0.2070-0.0000 ( 1724 PWs) bands (ev): -3.4628 -3.4621 -2.3851 -2.3834 4.1317 4.1318 4.9172 4.9236 5.4580 5.4588 6.2686 6.2699 6.7863 6.7888 7.1978 7.2087 7.8449 7.8473 8.9709 9.0033 9.1163 9.1323 9.2542 9.2594 9.3432 9.3798 9.4119 9.4849 9.9009 9.9018 10.2353 10.2454 11.4453 11.4485 12.2262 12.2343 15.3488 15.3651 15.7484 15.7545 k = 0.3679 0.2124-0.0000 ( 1724 PWs) bands (ev): -3.4082 -3.4076 -2.3875 -2.3859 4.0424 4.0424 4.9906 4.9971 5.4327 5.4340 6.2681 6.2693 6.7397 6.7421 7.1829 7.1931 7.8365 7.8390 8.9825 9.0101 9.1092 9.1323 9.2517 9.2583 9.3398 9.3625 9.4126 9.4724 9.8700 9.8717 10.2144 10.2242 11.4413 11.4440 12.2347 12.2424 15.3200 15.3361 15.7196 15.7258 k = 0.3774 0.2179-0.0000 ( 1720 PWs) bands (ev): -3.3540 -3.3535 -2.3916 -2.3901 3.9574 3.9576 5.0631 5.0699 5.4102 5.4121 6.2672 6.2683 6.6930 6.6955 7.1694 7.1789 7.8284 7.8309 8.9938 9.0153 9.1015 9.1334 9.2478 9.2569 9.3354 9.3456 9.4144 9.4618 9.8394 9.8418 10.1962 10.2056 11.4359 11.4380 12.2428 12.2502 15.2928 15.3085 15.6962 15.7024 k = 0.3868 0.2233-0.0000 ( 1716 PWs) bands (ev): -3.3006 -3.3000 -2.3973 -2.3959 3.8773 3.8775 5.1331 5.1406 5.3916 5.3944 6.2663 6.2673 6.6461 6.6486 7.1571 7.1659 7.8204 7.8229 9.0044 9.0188 9.0936 9.1357 9.2424 9.2553 9.3297 9.3300 9.4165 9.4532 9.8092 9.8122 10.1806 10.1895 11.4294 11.4310 12.2506 12.2575 15.2674 15.2824 15.6776 15.6835 k = 0.3962 0.2288-0.0000 ( 1718 PWs) bands (ev): -3.2480 -3.2475 -2.4048 -2.4035 3.8023 3.8026 5.1972 5.2058 5.3802 5.3843 6.2653 6.2662 6.5988 6.6014 7.1461 7.1542 7.8126 7.8150 9.0145 9.0207 9.0853 9.1391 9.2353 9.2533 9.3158 9.3226 9.4186 9.4466 9.7799 9.7833 10.1672 10.1756 11.4222 11.4233 12.2579 12.2644 15.2439 15.2580 15.6630 15.6683 k = 0.4057 0.2342-0.0000 ( 1710 PWs) bands (ev): -3.1966 -3.1961 -2.4141 -2.4129 3.7327 3.7330 5.2460 5.2553 5.3859 5.3909 6.2642 6.2650 6.5511 6.5537 7.1363 7.1437 7.8053 7.8076 9.0213 9.0241 9.0768 9.1434 9.2267 9.2510 9.3037 9.3146 9.4209 9.4420 9.7518 9.7555 10.1562 10.1640 11.4146 11.4154 12.2648 12.2708 15.2224 15.2355 15.6516 15.6563 k = 0.4151 0.2397-0.0000 ( 1718 PWs) bands (ev): -3.1466 -3.1462 -2.4251 -2.4240 3.6688 3.6691 5.2678 5.2752 5.4224 5.4258 6.2630 6.2637 6.5026 6.5053 7.1276 7.1343 7.7982 7.8004 9.0207 9.0333 9.0683 9.1482 9.2165 9.2484 9.2931 9.3057 9.4229 9.4386 9.7253 9.7292 10.1469 10.1541 11.4069 11.4074 12.2711 12.2766 15.2030 15.2150 15.6428 15.6467 k = 0.4245 0.2451-0.0000 ( 1718 PWs) bands (ev): -3.0984 -3.0980 -2.4377 -2.4367 3.6110 3.6113 5.2689 5.2740 5.4812 5.4824 6.2619 6.2625 6.4534 6.4561 7.1201 7.1260 7.7918 7.7939 9.0195 9.0421 9.0600 9.1536 9.2055 9.2457 9.2842 9.2964 9.4248 9.4366 9.7007 9.7046 10.1394 10.1458 11.3994 11.3996 12.2769 12.2819 15.1857 15.1965 15.6360 15.6392 k = 0.4340 0.2505-0.0000 ( 1716 PWs) bands (ev): -3.0523 -3.0519 -2.4518 -2.4509 3.5593 3.5596 5.2625 5.2660 5.5476 5.5477 6.2608 6.2612 6.4031 6.4058 7.1136 7.1188 7.7860 7.7879 9.0178 9.0496 9.0530 9.1589 9.1944 9.2429 9.2767 9.2872 9.4266 9.4354 9.6785 9.6822 10.1334 10.1391 11.3922 11.3922 12.2822 12.2866 15.1705 15.1800 15.6308 15.6332 k = 0.4434 0.2560-0.0000 ( 1712 PWs) bands (ev): -3.0088 -3.0085 -2.4670 -2.4662 3.5141 3.5143 5.2541 5.2567 5.6154 5.6164 6.2598 6.2600 6.3516 6.3545 7.1081 7.1126 7.7809 7.7825 9.0161 9.0439 9.0597 9.1629 9.1847 9.2399 9.2704 9.2784 9.4281 9.4347 9.6588 9.6623 10.1288 10.1336 11.3855 11.3856 12.2868 12.2906 15.1574 15.1656 15.6267 15.6284 k = 0.4528 0.2614-0.0000 ( 1718 PWs) bands (ev): -2.9685 -2.9683 -2.4830 -2.4824 3.4755 3.4757 5.2459 5.2478 5.6838 5.6852 6.2584 6.2587 6.2989 6.3022 7.1036 7.1074 7.7765 7.7779 9.0143 9.0367 9.0679 9.1613 9.1806 9.2364 9.2648 9.2701 9.4294 9.4342 9.6420 9.6451 10.1252 10.1292 11.3795 11.3797 12.2907 12.2940 15.1465 15.1533 15.6233 15.6244 k = 0.4623 0.2669-0.0000 ( 1722 PWs) bands (ev): -2.9324 -2.9322 -2.4991 -2.4985 3.4436 3.4438 5.2386 5.2401 5.7517 5.7534 6.2438 6.2441 6.2588 6.2614 7.1001 7.1031 7.7728 7.7739 9.0129 9.0304 9.0763 9.1528 9.1838 9.2324 9.2602 9.2630 9.4304 9.4340 9.6281 9.6307 10.1225 10.1257 11.3745 11.3747 12.2941 12.2967 15.1376 15.1431 15.6206 15.6212 k = 0.4717 0.2723-0.0000 ( 1722 PWs) bands (ev): -2.9015 -2.9014 -2.5142 -2.5138 3.4188 3.4189 5.2328 5.2338 5.8186 5.8205 6.1886 6.1906 6.2577 6.2584 7.0975 7.0997 7.7699 7.7708 9.0120 9.0248 9.0848 9.1425 9.1895 9.2276 9.2565 9.2575 9.4313 9.4338 9.6174 9.6194 10.1207 10.1231 11.3706 11.3707 12.2968 12.2987 15.1309 15.1350 15.6182 15.6185 k = 0.4811 0.2778-0.0000 ( 1730 PWs) bands (ev): -2.8774 -2.8773 -2.5269 -2.5266 3.4009 3.4010 5.2286 5.2293 5.8841 5.8861 6.1312 6.1334 6.2572 6.2576 7.0957 7.0972 7.7679 7.7685 9.0116 9.0201 9.0934 9.1318 9.1957 9.2219 9.2536 9.2538 9.4317 9.4333 9.6097 9.6110 10.1197 10.1213 11.3677 11.3679 12.2988 12.3001 15.1262 15.1290 15.6165 15.6166 k = 0.4906 0.2832-0.0000 ( 1734 PWs) bands (ev): -2.8618 -2.8618 -2.5356 -2.5355 3.3902 3.3902 5.2261 5.2264 5.9479 5.9501 6.0724 6.0746 6.2570 6.2571 7.0948 7.0956 7.7667 7.7670 9.0121 9.0163 9.1024 9.1216 9.2022 9.2155 9.2517 9.2518 9.4322 9.4330 9.6053 9.6060 10.1192 10.1200 11.3660 11.3661 12.3001 12.3008 15.1237 15.1251 15.6153 15.6153 k = 0.5000 0.2887-0.0000 ( 1734 PWs) bands (ev): -2.8564 -2.8564 -2.5387 -2.5387 3.3866 3.3866 5.2254 5.2254 6.0036 6.0036 6.0207 6.0207 6.2569 6.2569 7.0948 7.0948 7.7665 7.7665 9.0137 9.0137 9.1118 9.1118 9.2089 9.2089 9.2511 9.2511 9.4326 9.4326 9.6040 9.6040 10.1193 10.1193 11.3654 11.3654 12.3008 12.3008 15.1234 15.1234 15.6149 15.6149 k = 0.5000 0.2887-0.0000 ( 1734 PWs) bands (ev): -2.8564 -2.8564 -2.5387 -2.5387 3.3866 3.3866 5.2254 5.2254 6.0036 6.0036 6.0207 6.0207 6.2569 6.2569 7.0948 7.0948 7.7665 7.7665 9.0137 9.0137 9.1118 9.1118 9.2089 9.2089 9.2511 9.2511 9.4326 9.4326 9.6040 9.6040 10.1193 10.1193 11.3654 11.3654 12.3008 12.3008 15.1234 15.1234 15.6149 15.6149 k = 0.4946 0.2980-0.0000 ( 1734 PWs) bands (ev): -2.8560 -2.8559 -2.5384 -2.5383 3.3873 3.3874 5.2250 5.2251 6.0031 6.0039 6.0207 6.0213 6.2573 6.2578 7.0781 7.0855 7.7706 7.7810 9.0128 9.0144 9.1114 9.1127 9.2056 9.2115 9.2514 9.2537 9.4320 9.4330 9.6035 9.6044 10.1205 10.1213 11.3639 11.3647 12.2925 12.2940 15.1202 15.1285 15.6196 15.6198 k = 0.4892 0.3073-0.0000 ( 1724 PWs) bands (ev): -2.8546 -2.8546 -2.5374 -2.5373 3.3896 3.3896 5.2240 5.2241 6.0026 6.0041 6.0214 6.0227 6.2591 6.2601 7.0382 7.0517 7.7922 7.8114 9.0120 9.0150 9.1117 9.1141 9.2022 9.2131 9.2549 9.2588 9.4314 9.4333 9.6026 9.6044 10.1247 10.1263 11.3601 11.3617 12.2694 12.2724 15.1169 15.1331 15.6338 15.6343 k = 0.4839 0.3166-0.0000 ( 1716 PWs) bands (ev): -2.8523 -2.8522 -2.5358 -2.5357 3.3932 3.3933 5.2224 5.2225 6.0019 6.0042 6.0229 6.0248 6.2621 6.2634 6.9804 6.9980 7.8266 7.8527 9.0113 9.0153 9.1126 9.1155 9.1990 9.2136 9.2612 9.2656 9.4304 9.4333 9.6015 9.6042 10.1319 10.1342 11.3540 11.3564 12.2326 12.2369 15.1078 15.1308 15.6575 15.6582 k = 0.4785 0.3259-0.0000 ( 1720 PWs) bands (ev): -2.8491 -2.8490 -2.5337 -2.5336 3.3983 3.3985 5.2201 5.2202 6.0009 6.0042 6.0250 6.0276 6.2661 6.2678 6.9094 6.9298 7.8690 7.9003 9.0106 9.0151 9.1140 9.1169 9.1963 9.2135 9.2698 9.2741 9.4291 9.4328 9.6001 9.6037 10.1420 10.1449 11.3454 11.3486 12.1837 12.1891 15.0861 15.1134 15.6907 15.6916 k = 0.4731 0.3352-0.0000 ( 1720 PWs) bands (ev): -2.8450 -2.8449 -2.5309 -2.5308 3.4049 3.4051 5.2172 5.2173 5.9996 6.0040 6.0279 6.0311 6.2713 6.2733 6.8293 6.8516 7.9154 7.9506 9.0102 9.0146 9.1161 9.1180 9.1943 9.2133 9.2800 9.2838 9.4277 9.4322 9.5985 9.6029 10.1551 10.1584 11.3345 11.3384 12.1245 12.1308 15.0470 15.0757 15.7332 15.7342 k = 0.4677 0.3445-0.0000 ( 1714 PWs) bands (ev): -2.8400 -2.8399 -2.5276 -2.5274 3.4128 3.4130 5.2136 5.2137 5.9978 6.0035 6.0317 6.0354 6.2774 6.2797 6.7429 6.7665 7.9633 8.0015 9.0102 9.0139 9.1187 9.1191 9.1930 9.2132 9.2916 9.2946 9.4263 9.4315 9.5967 9.6018 10.1707 10.1743 11.3212 11.3256 12.0570 12.0639 14.9903 15.0182 15.7848 15.7861 k = 0.4624 0.3539-0.0000 ( 1718 PWs) bands (ev): -2.8342 -2.8340 -2.5238 -2.5236 3.4221 3.4223 5.2094 5.2096 5.9952 6.0025 6.0364 6.0405 6.2843 6.2868 6.6524 6.6772 8.0107 8.0513 9.0106 9.0128 9.1193 9.1217 9.1926 9.2130 9.3041 9.3062 9.4251 9.4306 9.5946 9.6005 10.1888 10.1925 11.3053 11.3102 11.9831 11.9903 14.9191 14.9451 15.8455 15.8469 k = 0.4570 0.3632-0.0000 ( 1718 PWs) bands (ev): -2.8275 -2.8273 -2.5195 -2.5193 3.4326 3.4329 5.2046 5.2048 5.9914 6.0006 6.0420 6.0465 6.2919 6.2945 6.5596 6.5858 8.0569 8.0994 9.0113 9.0115 9.1191 9.1251 9.1929 9.2128 9.3174 9.3182 9.4245 9.4300 9.5924 9.5989 10.2090 10.2125 11.2868 11.2921 11.9047 11.9118 14.8376 14.8613 15.9149 15.9165 k = 0.4516 0.3725-0.0000 ( 1714 PWs) bands (ev): -2.8199 -2.8198 -2.5149 -2.5146 3.4444 3.4446 5.1993 5.1994 5.9855 5.9972 6.0485 6.0533 6.2998 6.3024 6.4664 6.4944 8.1014 8.1453 9.0099 9.0125 9.1183 9.1288 9.1939 9.2127 9.3301 9.3311 9.4249 9.4298 9.5903 9.5973 10.2309 10.2343 11.2657 11.2710 11.8233 11.8300 14.7494 14.7709 15.9928 15.9945 k = 0.4462 0.3818-0.0000 ( 1710 PWs) bands (ev): -2.8116 -2.8114 -2.5099 -2.5096 3.4572 3.4575 5.1934 5.1936 5.9763 5.9912 6.0560 6.0611 6.3077 6.3099 6.3756 6.4057 8.1437 8.1886 9.0081 9.0140 9.1170 9.1327 9.1955 9.2124 9.3411 9.3447 9.4273 9.4306 9.5879 9.5954 10.2544 10.2574 11.2418 11.2469 11.7403 11.7463 14.6572 14.6767 16.0789 16.0807 k = 0.4409 0.3911-0.0000 ( 1718 PWs) bands (ev): -2.8024 -2.8022 -2.5046 -2.5043 3.4711 3.4715 5.1868 5.1870 5.9613 5.9799 6.0642 6.0695 6.2838 6.3073 6.3234 6.3308 8.1838 8.2292 9.0060 9.0157 9.1152 9.1368 9.1974 9.2120 9.3499 9.3572 9.4326 9.4332 9.5854 9.5933 10.2789 10.2814 11.2149 11.2194 11.6570 11.6616 14.5633 14.5809 16.1728 16.1747 k = 0.4355 0.4004-0.0000 ( 1720 PWs) bands (ev): -2.7925 -2.7923 -2.4992 -2.4989 3.4860 3.4863 5.1799 5.1801 5.9364 5.9585 6.0733 6.0789 6.2099 6.2453 6.3280 6.3298 8.2216 8.2673 9.0036 9.0177 9.1129 9.1409 9.1997 9.2114 9.3557 9.3672 9.4390 9.4418 9.5832 9.5913 10.3042 10.3061 11.1852 11.1885 11.5746 11.5774 14.4694 14.4853 16.2741 16.2760 k = 0.4301 0.4097-0.0000 ( 1724 PWs) bands (ev): -2.7819 -2.7817 -2.4936 -2.4933 3.5016 3.5020 5.1725 5.1727 5.8968 5.9196 6.0831 6.0890 6.1529 6.1885 6.3359 6.3379 8.2572 8.3027 9.0008 9.0196 9.1104 9.1449 9.2021 9.2105 9.3581 9.3737 9.4490 9.4552 9.5814 9.5895 10.3299 10.3311 11.1525 11.1538 11.4942 11.4942 14.3767 14.3911 16.3823 16.3842 k = 0.4247 0.4190-0.0000 ( 1724 PWs) bands (ev): -2.7706 -2.7704 -2.4881 -2.4878 3.5178 3.5182 5.1646 5.1648 5.8405 5.8600 6.0930 6.0999 6.1190 6.1498 6.3441 6.3459 8.2907 8.3357 8.9979 9.0215 9.1078 9.1490 9.2046 9.2096 9.3578 9.3765 9.4629 9.4719 9.5807 9.5883 10.3557 10.3561 11.1153 11.1168 11.4130 11.4165 14.2862 14.2992 16.4969 16.4988 k = 0.4194 0.4284-0.0000 ( 1724 PWs) bands (ev): -2.7586 -2.7584 -2.4827 -2.4824 3.5346 3.5350 5.1564 5.1566 5.7710 5.7857 6.0960 6.1097 6.1112 6.1267 6.3520 6.3536 8.3222 8.3665 8.9946 9.0233 9.1054 9.1529 9.2071 9.2086 9.3556 9.3765 9.4789 9.4903 9.5817 9.5884 10.3808 10.3812 11.0727 11.0781 11.3342 11.3423 14.1989 14.2106 16.6172 16.6190 k = 0.4140 0.4377-0.0000 ( 1728 PWs) bands (ev): -2.7460 -2.7458 -2.4775 -2.4772 3.5516 3.5520 5.1478 5.1481 5.6942 5.7049 6.0903 6.1137 6.1194 6.1233 6.3594 6.3607 8.3518 8.3949 8.9909 9.0246 9.1030 9.1565 9.2076 9.2096 9.3519 9.3746 9.4946 9.5084 9.5863 9.5914 10.4051 10.4063 11.0260 11.0363 11.2586 11.2722 14.1154 14.1259 16.7426 16.7443 k = 0.4086 0.4470-0.0000 ( 1728 PWs) bands (ev): -2.7328 -2.7326 -2.4726 -2.4723 3.5687 3.5691 5.1390 5.1393 5.6148 5.6225 6.0879 6.1075 6.1313 6.1355 6.3662 6.3672 8.3795 8.4212 8.9869 9.0254 9.1010 9.1593 9.2070 9.2120 9.3473 9.3716 9.5071 9.5233 9.5971 9.6004 10.4287 10.4307 10.9755 10.9915 11.1864 11.2064 14.0363 14.0456 16.8723 16.8739 k = 0.4032 0.4563-0.0000 ( 1718 PWs) bands (ev): -2.7191 -2.7189 -2.4682 -2.4679 3.5856 3.5861 5.1299 5.1302 5.5357 5.5413 6.0885 6.1053 6.1438 6.1480 6.3722 6.3728 8.4057 8.4456 8.9827 9.0256 9.0996 9.1614 9.2072 9.2146 9.3422 9.3678 9.5145 9.5320 9.6155 9.6178 10.4514 10.4542 10.9218 10.9437 11.1184 11.1447 13.9620 13.9702 17.0054 17.0069 k = 0.3978 0.4656-0.0000 ( 1718 PWs) bands (ev): -2.7049 -2.7047 -2.4644 -2.4641 3.6021 3.6025 5.1206 5.1210 5.4590 5.4631 6.0910 6.1057 6.1564 6.1605 6.3773 6.3776 8.4301 8.4679 8.9780 9.0248 9.0987 9.1621 9.2083 9.2170 9.3364 9.3634 9.5171 9.5348 9.6406 9.6429 10.4731 10.4767 10.8658 10.8931 11.0547 11.0870 13.8928 13.9001 17.1411 17.1424 k = 0.3925 0.4749-0.0000 ( 1718 PWs) bands (ev): -2.6903 -2.6901 -2.4613 -2.4610 3.6179 3.6183 5.1112 5.1116 5.3859 5.3890 6.0950 6.1081 6.1689 6.1728 6.3814 6.3814 8.4529 8.4884 8.9730 9.0232 9.0984 9.1614 9.2106 9.2195 9.3303 9.3587 9.5168 9.5343 9.6710 9.6737 10.4936 10.4980 10.8080 10.8397 10.9959 11.0327 13.8291 13.8354 17.2781 17.2792 k = 0.3871 0.4842-0.0000 ( 1718 PWs) bands (ev): -2.6752 -2.6750 -2.4591 -2.4588 3.6327 3.6331 5.1017 5.1022 5.3176 5.3199 6.1003 6.1121 6.1810 6.1847 6.3841 6.3846 8.4741 8.5070 8.9678 9.0207 9.0987 9.1594 9.2141 9.2221 9.3239 9.3537 9.5148 9.5317 9.7050 9.7083 10.5128 10.5182 10.7494 10.7838 10.9420 10.9817 13.7710 13.7764 17.4153 17.4162 k = 0.3817 0.4935-0.0000 ( 1722 PWs) bands (ev): -2.6599 -2.6597 -2.4580 -2.4576 3.6462 3.6466 5.0921 5.0927 5.2549 5.2567 6.1065 6.1173 6.1925 6.1960 6.3858 6.3866 8.4938 8.5238 8.9623 9.0175 9.0994 9.1563 9.2185 9.2249 9.3172 9.3485 9.5119 9.5281 9.7420 9.7458 10.5306 10.5370 10.6903 10.7260 10.8932 10.9339 13.7186 13.7232 17.5513 17.5518 k = 0.3763 0.5029-0.0000 ( 1730 PWs) bands (ev): -2.6443 -2.6441 -2.4579 -2.4576 3.6581 3.6585 5.0826 5.0833 5.1985 5.1999 6.1137 6.1237 6.2030 6.2064 6.3864 6.3875 8.5119 8.5389 8.9568 9.0139 9.1005 9.1524 9.2235 9.2279 9.3104 9.3433 9.5085 9.5239 9.7812 9.7855 10.5466 10.5544 10.6314 10.6670 10.8495 10.8893 13.6721 13.6759 17.6842 17.6845 k = 0.3710 0.5122-0.0000 ( 1728 PWs) bands (ev): -2.6284 -2.6283 -2.4592 -2.4589 3.6683 3.6686 5.0732 5.0739 5.1491 5.1502 6.1218 6.1311 6.2124 6.2157 6.3861 6.3874 8.5285 8.5522 8.9516 9.0102 9.1021 9.1481 9.2291 9.2312 9.3036 9.3382 9.5050 9.5193 9.8225 9.8275 10.5583 10.5667 10.5763 10.6099 10.8109 10.8485 13.6313 13.6345 17.8121 17.8122 k = 0.3656 0.5215-0.0000 ( 1728 PWs) bands (ev): -2.6124 -2.6123 -2.4619 -2.4617 3.6765 3.6768 5.0638 5.0647 5.1071 5.1079 6.1308 6.1395 6.2201 6.2234 6.3848 6.3863 8.5433 8.5636 8.9464 9.0064 9.1038 9.1436 9.2348 9.2349 9.2969 9.3334 9.5016 9.5146 9.8655 9.8713 10.5137 10.5358 10.5851 10.5856 10.7772 10.8116 13.5962 13.5988 17.9325 17.9328 k = 0.3602 0.5308-0.0000 ( 1724 PWs) bands (ev): -2.5964 -2.5963 -2.4663 -2.4660 3.6827 3.6830 5.0544 5.0557 5.0731 5.0736 6.1406 6.1489 6.2259 6.2292 6.3830 6.3844 8.5565 8.5732 8.9416 9.0028 9.1057 9.1389 9.2388 9.2405 9.2902 9.3288 9.4985 9.5100 9.9100 9.9166 10.4563 10.4788 10.5937 10.5985 10.7486 10.7793 13.5669 13.5689 18.0426 18.0432 k = 0.3548 0.5401-0.0000 ( 1725 PWs) bands (ev): -2.5802 -2.5802 -2.4723 -2.4721 3.6870 3.6872 5.0427 5.0453 5.0488 5.0495 6.1513 6.1591 6.2290 6.2324 6.3807 6.3821 8.5677 8.5808 8.9373 8.9995 9.1078 9.1343 9.2429 9.2460 9.2837 9.3248 9.4958 9.5056 9.9553 9.9631 10.4001 10.4194 10.6037 10.6094 10.7250 10.7518 13.5431 13.5447 18.1392 18.1401 k = 0.3495 0.5494-0.0000 ( 1725 PWs) bands (ev): -2.5642 -2.5641 -2.4803 -2.4800 3.6895 3.6897 5.0262 5.0279 5.0390 5.0393 6.1627 6.1703 6.2291 6.2327 6.3785 6.3796 8.5769 8.5865 8.9335 8.9967 9.1100 9.1299 9.2472 9.2509 9.2773 9.3213 9.4940 9.5017 10.0008 10.0101 10.3460 10.3613 10.6123 10.6181 10.7068 10.7300 13.5249 13.5260 18.2187 18.2195 k = 0.3441 0.5587-0.0000 ( 1725 PWs) bands (ev): -2.5482 -2.5482 -2.4902 -2.4900 3.6907 3.6908 5.0154 5.0170 5.0307 5.0313 6.1749 6.1824 6.2255 6.2293 6.3766 6.3774 8.5840 8.5902 8.9307 8.9946 9.1125 9.1257 9.2515 9.2550 9.2712 9.3187 9.4928 9.4981 10.0447 10.0563 10.2958 10.3065 10.6189 10.6238 10.6940 10.7144 13.5120 13.5127 18.2773 18.2780 k = 0.3387 0.5680-0.0000 ( 1723 PWs) bands (ev): -2.5326 -2.5326 -2.5021 -2.5019 3.6910 3.6911 5.0117 5.0134 5.0235 5.0241 6.1875 6.1954 6.2183 6.2217 6.3755 6.3759 8.5889 8.5918 8.9290 8.9934 9.1153 9.1219 9.2557 9.2582 9.2653 9.3170 9.4926 9.4953 10.0825 10.0975 10.2546 10.2596 10.6231 10.6261 10.6869 10.7056 13.5044 13.5048 18.3125 18.3129 k = 0.3333 0.5774-0.0000 ( 1719 PWs) bands (ev): -2.5199 -2.5199 -2.5135 -2.5132 3.6910 3.6910 5.0127 5.0153 5.0187 5.0187 6.1962 6.2077 6.2114 6.2114 6.3752 6.3752 8.5915 8.5915 8.9284 8.9930 9.1185 9.1185 9.2593 9.2604 9.2604 9.3166 9.4934 9.4934 10.0997 10.1177 10.2368 10.2368 10.6254 10.6254 10.6848 10.7030 13.5020 13.5020 18.3240 18.3240 k = 0.3333 0.5774-0.0000 ( 1719 PWs) bands (ev): -2.5199 -2.5199 -2.5135 -2.5132 3.6910 3.6910 5.0127 5.0153 5.0187 5.0187 6.1962 6.2077 6.2114 6.2114 6.3752 6.3752 8.5915 8.5915 8.9284 8.9930 9.1185 9.1185 9.2593 9.2604 9.2604 9.3166 9.4934 9.4934 10.0997 10.1177 10.2368 10.2368 10.6254 10.6254 10.6848 10.7030 13.5020 13.5020 18.3240 18.3240 k = 0.3279 0.5679-0.0000 ( 1727 PWs) bands (ev): -2.5339 -2.5338 -2.5009 -2.5007 3.6913 3.6913 5.0089 5.0106 5.0260 5.0271 6.1847 6.1924 6.2209 6.2248 6.3755 6.3759 8.5890 8.5916 8.9290 8.9934 9.1152 9.1219 9.2545 9.2612 9.2632 9.3169 9.4926 9.4954 10.0827 10.0973 10.2563 10.2581 10.6233 10.6270 10.6865 10.7050 13.5045 13.5048 18.3133 18.3137 k = 0.3224 0.5584-0.0000 ( 1731 PWs) bands (ev): -2.5531 -2.5530 -2.4859 -2.4857 3.6925 3.6926 5.0035 5.0051 5.0414 5.0427 6.1634 6.1706 6.2364 6.2409 6.3768 6.3773 8.5845 8.5893 8.9309 8.9947 9.1123 9.1258 9.2496 9.2613 9.2665 9.3184 9.4929 9.4985 10.0471 10.0570 10.2978 10.3029 10.6216 10.6293 10.6903 10.7099 13.5121 13.5128 18.2847 18.2854 k = 0.3169 0.5490-0.0000 ( 1727 PWs) bands (ev): -2.5749 -2.5748 -2.4713 -2.4710 3.6955 3.6956 4.9989 5.0005 5.0623 5.0638 6.1370 6.1441 6.2536 6.2580 6.3789 6.3795 8.5782 8.5846 8.9343 8.9971 9.1099 9.1301 9.2452 9.2609 9.2694 9.3208 9.4943 9.5024 10.0077 10.0138 10.3469 10.3546 10.6215 10.6334 10.6955 10.7165 13.5249 13.5259 18.2429 18.2438 k = 0.3115 0.5395-0.0000 ( 1723 PWs) bands (ev): -2.5992 -2.5992 -2.4572 -2.4568 3.7008 3.7008 4.9951 4.9969 5.0878 5.0894 6.1060 6.1131 6.2719 6.2763 6.3817 6.3824 8.5699 8.5776 8.9388 9.0001 9.1076 9.1346 9.2413 9.2601 9.2719 9.3238 9.4968 9.5070 9.9694 9.9721 10.3988 10.4088 10.6236 10.6397 10.7013 10.7244 13.5427 13.5441 18.1920 18.1930 k = 0.3060 0.5300-0.0000 ( 1729 PWs) bands (ev): -2.6262 -2.6261 -2.4436 -2.4432 3.7090 3.7090 4.9924 4.9943 5.1173 5.1190 6.0706 6.0777 6.2913 6.2955 6.3852 6.3859 8.5598 8.5684 8.9442 9.0038 9.1054 9.1392 9.2378 9.2592 9.2742 9.3274 9.5000 9.5117 9.9336 9.9340 10.4515 10.4638 10.6278 10.6484 10.7076 10.7333 13.5656 13.5673 18.1352 18.1362 k = 0.3005 0.5206-0.0000 ( 1725 PWs) bands (ev): -2.6557 -2.6555 -2.4307 -2.4302 3.7205 3.7205 4.9909 4.9928 5.1503 5.1521 6.0311 6.0381 6.3118 6.3158 6.3895 6.3900 8.5482 8.5574 8.9506 9.0081 9.1035 9.1440 9.2350 9.2585 9.2764 9.3316 9.5036 9.5159 9.8990 9.9026 10.5041 10.5187 10.6345 10.6600 10.7143 10.7437 13.5934 13.5955 18.0747 18.0757 k = 0.2951 0.5111-0.0000 ( 1727 PWs) bands (ev): -2.6877 -2.6875 -2.4185 -2.4179 3.7358 3.7358 4.9906 4.9926 5.1862 5.1881 5.9874 5.9944 6.3333 6.3371 6.3945 6.3947 8.5352 8.5447 8.9576 9.0128 9.1015 9.1487 9.2326 9.2578 9.2789 9.3365 9.5068 9.5190 9.8692 9.8763 10.5551 10.5719 10.6437 10.6753 10.7216 10.7561 13.6263 13.6287 18.0122 18.0131 k = 0.2896 0.5016-0.0000 ( 1727 PWs) bands (ev): -2.7221 -2.7219 -2.4070 -2.4064 3.7552 3.7552 4.9916 4.9938 5.2245 5.2266 5.9400 5.9468 6.3560 6.3596 6.4003 6.4003 8.5209 8.5305 8.9651 9.0177 9.0997 9.1532 9.2306 9.2574 9.2818 9.3423 9.5091 9.5202 9.8448 9.8556 10.6026 10.6206 10.6559 10.6965 10.7296 10.7715 13.6640 13.6669 17.9488 17.9496 k = 0.2842 0.4922-0.0000 ( 1721 PWs) bands (ev): -2.7590 -2.7587 -2.3964 -2.3957 3.7790 3.7791 4.9940 4.9963 5.2648 5.2670 5.8888 5.8956 6.3798 6.3831 6.4067 6.4071 8.5055 8.5151 8.9729 9.0228 9.0980 9.1575 9.2292 9.2574 9.2855 9.3488 9.5098 9.5189 9.8264 9.8411 10.6417 10.6594 10.6738 10.7277 10.7396 10.7917 13.7068 13.7102 17.8853 17.8860 k = 0.2787 0.4827-0.0000 ( 1717 PWs) bands (ev): -2.7981 -2.7978 -2.3866 -2.3858 3.8073 3.8074 4.9980 5.0004 5.3067 5.3089 5.8342 5.8410 6.4046 6.4076 6.4141 6.4151 8.4891 8.4986 8.9807 9.0278 9.0964 9.1614 9.2282 9.2577 9.2902 9.3562 9.5081 9.5146 9.8143 9.8331 10.6667 10.6865 10.7007 10.7472 10.7745 10.8189 13.7545 13.7584 17.8224 17.8230 k = 0.2732 0.4732-0.0000 ( 1717 PWs) bands (ev): -2.8394 -2.8391 -2.3777 -2.3769 3.8404 3.8406 5.0035 5.0061 5.3498 5.3521 5.7764 5.7831 6.4225 6.4233 6.4308 6.4340 8.4718 8.4811 8.9882 9.0325 9.0951 9.1649 9.2277 9.2584 9.2960 9.3643 9.5037 9.5075 9.8087 9.8312 10.6842 10.7072 10.7286 10.7591 10.8243 10.8539 13.8073 13.8117 17.7605 17.7609 k = 0.2678 0.4638-0.0000 ( 1713 PWs) bands (ev): -2.8828 -2.8824 -2.3698 -2.3689 3.8782 3.8784 5.0106 5.0134 5.3937 5.3961 5.7156 5.7224 6.4322 6.4335 6.4579 6.4609 8.4539 8.4629 8.9951 9.0367 9.0941 9.1678 9.2276 9.2593 9.3029 9.3732 9.4972 9.4983 9.8092 9.8348 10.7004 10.7251 10.7528 10.7727 10.8762 10.8952 13.8650 13.8701 17.6998 17.7001 k = 0.2623 0.4543-0.0000 ( 1713 PWs) bands (ev): -2.9281 -2.9276 -2.3629 -2.3618 3.9209 3.9212 5.0193 5.0223 5.4382 5.4406 5.6523 5.6591 6.4431 6.4449 6.4862 6.4889 8.4354 8.4441 9.0010 9.0402 9.0937 9.1701 9.2280 9.2605 9.3110 9.3825 9.4875 9.4884 9.8151 9.8431 10.7165 10.7416 10.7742 10.7883 10.9280 10.9400 13.9277 13.9335 17.6407 17.6409 k = 0.2568 0.4448-0.0000 ( 1713 PWs) bands (ev): -2.9752 -2.9747 -2.3569 -2.3558 3.9684 3.9687 5.0297 5.0330 5.4829 5.4852 5.5867 5.5935 6.4554 6.4576 6.5157 6.5182 8.4165 8.4249 9.0056 9.0430 9.0940 9.1719 9.2289 9.2621 9.3201 9.3918 9.4765 9.4785 9.8254 9.8550 10.7330 10.7574 10.7946 10.8058 10.9789 10.9860 13.9955 14.0019 17.5833 17.5833 k = 0.2514 0.4354-0.0000 ( 1709 PWs) bands (ev): -3.0238 -3.0233 -2.3520 -2.3508 4.0207 4.0211 5.0418 5.0455 5.5146 5.5226 5.5310 5.5343 6.4692 6.4719 6.5464 6.5487 8.3973 8.4054 9.0085 9.0448 9.0953 9.1730 9.2303 9.2639 9.3300 9.4000 9.4670 9.4682 9.8393 9.8698 10.7501 10.7731 10.8149 10.8249 11.0283 11.0319 14.0683 14.0755 17.5277 17.5278 k = 0.2459 0.4259-0.0000 ( 1717 PWs) bands (ev): -3.0740 -3.0734 -2.3481 -2.3469 4.0777 4.0781 5.0553 5.0597 5.4482 5.4566 5.5724 5.5756 6.4845 6.4877 6.5782 6.5803 8.3779 8.3856 9.0092 9.0453 9.0974 9.1731 9.2322 9.2657 9.3404 9.4049 9.4585 9.4615 9.8558 9.8867 10.7679 10.7893 10.8354 10.8451 11.0757 11.0767 14.1461 14.1541 17.4740 17.4743 k = 0.2404 0.4164-0.0000 ( 1725 PWs) bands (ev): -3.1254 -3.1248 -2.3453 -2.3440 4.1393 4.1398 5.0701 5.0755 5.3776 5.3868 5.6164 5.6195 6.5015 6.5052 6.6112 6.6131 8.3583 8.3658 9.0080 9.0446 9.1005 9.1729 9.2345 9.2677 9.3509 9.4043 9.4501 9.4627 9.8743 9.9050 10.7865 10.8064 10.8564 10.8659 11.1196 11.1208 14.2290 14.2378 17.4225 17.4229 k = 0.2350 0.4070-0.0000 ( 1723 PWs) bands (ev): -3.1780 -3.1774 -2.3436 -2.3421 4.2055 4.2061 5.0854 5.0926 5.3061 5.3169 5.6597 5.6627 6.5201 6.5243 6.6455 6.6472 8.3388 8.3460 9.0047 9.0425 9.1048 9.1723 9.2374 9.2700 9.3608 9.3988 9.4441 9.4705 9.8943 9.9243 10.8064 10.8248 10.8777 10.8872 11.1604 11.1635 14.3168 14.3265 17.3731 17.3736 k = 0.2295 0.3975-0.0000 ( 1723 PWs) bands (ev): -3.2315 -3.2308 -2.3428 -2.3413 4.2760 4.2767 5.0987 5.1097 5.2354 5.2500 5.7020 5.7051 6.5405 6.5452 6.6810 6.6825 8.3194 8.3263 8.9994 9.0389 9.1096 9.1713 9.2404 9.2724 9.3690 9.3909 9.4417 9.4822 9.9153 9.9444 10.8276 10.8448 10.8994 10.9087 11.1985 11.2032 14.4097 14.4203 17.3259 17.3265 k = 0.2240 0.3881-0.0000 ( 1727 PWs) bands (ev): -3.2858 -3.2851 -2.3431 -2.3416 4.3508 4.3515 5.0987 5.1164 5.1762 5.1975 5.7433 5.7464 6.5626 6.5679 6.7177 6.7190 8.3002 8.3068 8.9924 9.0337 9.1148 9.1704 9.2434 9.2747 9.3745 9.3825 9.4439 9.4961 9.9369 9.9648 10.8504 10.8665 10.9211 10.9301 11.2337 11.2398 14.5074 14.5190 17.2810 17.2817 k = 0.2186 0.3786-0.0000 ( 1733 PWs) bands (ev): -3.3407 -3.3400 -2.3445 -2.3428 4.4297 4.4305 5.0600 5.0699 5.1714 5.1849 5.7833 5.7864 6.5865 6.5924 6.7557 6.7568 8.2813 8.2876 8.9837 9.0266 9.1201 9.1695 9.2464 9.2770 9.3744 9.3767 9.4510 9.5113 9.9587 9.9851 10.8749 10.8902 10.9429 10.9513 11.2655 11.2729 14.6101 14.6227 17.2384 17.2392 k = 0.2131 0.3691-0.0000 ( 1733 PWs) bands (ev): -3.3960 -3.3953 -2.3468 -2.3451 4.5124 4.5133 4.9955 4.9994 5.1923 5.1997 5.8218 5.8250 6.6125 6.6189 6.7949 6.7959 8.2627 8.2688 8.9735 9.0180 9.1254 9.1691 9.2492 9.2793 9.3673 9.3768 9.4622 9.5274 9.9806 10.0055 10.9012 10.9159 10.9648 10.9725 11.2937 11.3023 14.7176 14.7312 17.1982 17.1989 k = 0.2077 0.3597-0.0000 ( 1733 PWs) bands (ev): -3.4517 -3.4510 -2.3500 -2.3483 4.5989 4.5998 4.9244 4.9258 5.2178 5.2226 5.8588 5.8620 6.6403 6.6474 6.8354 6.8362 8.2446 8.2505 8.9621 9.0077 9.1305 9.1689 9.2516 9.2813 9.3611 9.3758 9.4760 9.5441 10.0025 10.0256 10.9295 10.9437 10.9865 10.9933 11.3181 11.3278 14.8298 14.8445 17.1603 17.1611 k = 0.2022 0.3502-0.0000 ( 1737 PWs) bands (ev): -3.5075 -3.5067 -2.3542 -2.3524 4.6889 4.6898 4.8516 4.8517 5.2456 5.2492 5.8941 5.8973 6.6701 6.6779 6.8771 6.8778 8.2269 8.2326 8.9495 8.9959 9.1353 9.1691 9.2535 9.2830 9.3558 9.3743 9.4915 9.5612 10.0241 10.0455 10.9597 10.9735 11.0082 11.0139 11.3386 11.3493 14.9466 14.9624 17.1247 17.1256 k = 0.1967 0.3407-0.0000 ( 1737 PWs) bands (ev): -3.5632 -3.5625 -2.3593 -2.3574 4.7718 4.7729 4.7876 4.7892 5.2752 5.2780 5.9276 5.9309 6.7020 6.7103 6.9201 6.9206 8.2098 8.2153 8.9359 8.9829 9.1397 9.1696 9.2550 9.2845 9.3517 9.3730 9.5082 9.5787 10.0453 10.0648 10.9915 11.0054 11.0299 11.0342 11.3548 11.3665 15.0680 15.0850 17.0916 17.0924 k = 0.1913 0.3313-0.0000 ( 1733 PWs) bands (ev): -3.6189 -3.6181 -2.3651 -2.3632 4.7030 4.7043 4.8796 4.8809 5.3062 5.3086 5.9593 5.9625 6.7358 6.7449 6.9643 6.9648 8.1934 8.1987 8.9214 8.9687 9.1438 9.1706 9.2561 9.2858 9.3484 9.3720 9.5257 9.5966 10.0659 10.0836 11.0245 11.0387 11.0522 11.0548 11.3669 11.3795 15.1937 15.2120 17.0607 17.0615 k = 0.1858 0.3218-0.0000 ( 1733 PWs) bands (ev): -3.6742 -3.6735 -2.3718 -2.3698 4.6301 4.6316 4.9790 4.9804 5.3385 5.3406 5.9890 5.9922 6.7716 6.7814 7.0099 7.0102 8.1776 8.1828 8.9060 8.9536 9.1475 9.1718 9.2566 9.2868 9.3460 9.3712 9.5434 9.6144 10.0860 10.1018 11.0563 11.0690 11.0771 11.0798 11.3749 11.3883 15.3237 15.3433 17.0322 17.0329 k = 0.1803 0.3123-0.0000 ( 1733 PWs) bands (ev): -3.7291 -3.7284 -2.3792 -2.3772 4.5579 4.5596 5.0813 5.0828 5.3719 5.3737 6.0168 6.0200 6.8095 6.8201 7.0567 7.0570 8.1624 8.1675 8.8901 8.9378 9.1506 9.1731 9.2567 9.2875 9.3442 9.3708 9.5612 9.6321 10.1054 10.1193 11.0829 11.0906 11.1085 11.1149 11.3789 11.3931 15.4576 15.4788 17.0058 17.0065 k = 0.1749 0.3029-0.0000 ( 1733 PWs) bands (ev): -3.7835 -3.7828 -2.3873 -2.3852 4.4867 4.4886 5.1861 5.1878 5.4063 5.4079 6.0426 6.0457 6.8494 6.8608 7.1047 7.1050 8.1481 8.1530 8.8736 8.9214 9.1532 9.1744 9.2566 9.2881 9.3432 9.3706 9.5791 9.6496 10.1240 10.1362 11.1052 11.1102 11.1447 11.1526 11.3795 11.3944 15.5951 15.6181 16.9814 16.9821 k = 0.1694 0.2934-0.0000 ( 1729 PWs) bands (ev): -3.8372 -3.8365 -2.3959 -2.3939 4.4166 4.4186 5.2931 5.2950 5.4414 5.4428 6.0663 6.0694 6.8912 6.9035 7.1541 7.1544 8.1345 8.1394 8.8568 8.9047 9.1553 9.1758 9.2562 9.2885 9.3427 9.3708 9.5968 9.6669 10.1420 10.1523 11.1261 11.1294 11.1817 11.1902 11.3781 11.3935 15.7359 15.7610 16.9588 16.9595 k = 0.1639 0.2839-0.0000 ( 1733 PWs) bands (ev): -3.8901 -3.8894 -2.4052 -2.4031 4.3478 4.3499 5.4021 5.4042 5.4771 5.4785 6.0881 6.0911 6.9349 6.9482 7.2047 7.2051 8.1217 8.1265 8.8394 8.8874 9.1568 9.1768 9.2558 9.2890 9.3426 9.3711 9.6141 9.6837 10.1590 10.1677 11.1466 11.1488 11.2160 11.2247 11.3772 11.3930 15.8794 15.9069 16.9376 16.9384 k = 0.1585 0.2745-0.0000 ( 1737 PWs) bands (ev): -3.9422 -3.9415 -2.4149 -2.4128 4.2803 4.2825 5.5107 5.5120 5.5163 5.5166 6.1079 6.1109 6.9806 6.9948 7.2564 7.2570 8.1097 8.1145 8.8219 8.8701 9.1576 9.1776 9.2554 9.2895 9.3428 9.3716 9.6308 9.6999 10.1751 10.1823 11.1671 11.1685 11.2412 11.2506 11.3827 11.3980 16.0243 16.0552 16.9174 16.9182 k = 0.1530 0.2650-0.0000 ( 1733 PWs) bands (ev): -3.9933 -3.9925 -2.4250 -2.4229 4.2145 4.2166 5.5496 5.5507 5.6251 5.6276 6.1260 6.1288 7.0281 7.0434 7.3096 7.3104 8.0985 8.1034 8.8043 8.8527 9.1579 9.1779 9.2554 9.2901 9.3434 9.3722 9.6467 9.7152 10.1905 10.1962 11.1876 11.1888 11.2504 11.2607 11.4021 11.4160 16.1689 16.2042 16.8973 16.8983 k = 0.1475 0.2555-0.0000 ( 1741 PWs) bands (ev): -4.0433 -4.0426 -2.4355 -2.4334 4.1502 4.1524 5.5861 5.5872 5.7381 5.7410 6.1422 6.1450 7.0773 7.0937 7.3640 7.3651 8.0881 8.0930 8.7865 8.8352 9.1574 9.1776 9.2556 9.2909 9.3440 9.3728 9.6617 9.7295 10.2051 10.2095 11.2073 11.2100 11.2438 11.2536 11.4358 11.4482 16.3091 16.3508 16.8763 16.8774 k = 0.1421 0.2461-0.0000 ( 1729 PWs) bands (ev): -4.0921 -4.0914 -2.4462 -2.4441 4.0876 4.0898 5.6227 5.6237 5.8517 5.8550 6.1570 6.1596 7.1282 7.1458 7.4198 7.4213 8.0787 8.0837 8.7689 8.8179 9.1565 9.1768 9.2567 9.2923 9.3450 9.3738 9.6758 9.7428 10.2188 10.2220 11.2120 11.2321 11.2343 11.2414 11.4785 11.4898 16.4356 16.4865 16.8527 16.8540 k = 0.1366 0.2366-0.0000 ( 1729 PWs) bands (ev): -4.1397 -4.1390 -2.4572 -2.4551 4.0269 4.0290 5.6592 5.6601 5.9648 5.9687 6.1710 6.1734 7.1805 7.1994 7.4767 7.4788 8.0700 8.0753 8.7513 8.8007 9.1548 9.1754 9.2582 9.2938 9.3460 9.3746 9.6887 9.7548 10.2318 10.2339 11.1880 11.2062 11.2561 11.2612 11.5260 11.5364 16.5269 16.5864 16.8245 16.8257 k = 0.1311 0.2272-0.0000 ( 1729 PWs) bands (ev): -4.1859 -4.1853 -2.4683 -2.4663 3.9680 3.9701 5.6952 5.6961 6.0748 6.0793 6.1866 6.1889 7.2341 7.2544 7.5349 7.5376 8.0623 8.0678 8.7338 8.7837 9.1527 9.1734 9.2602 9.2956 9.3471 9.3755 9.7001 9.7654 10.2439 10.2451 11.1548 11.1726 11.2815 11.2862 11.5760 11.5858 16.5528 16.6074 16.7887 16.7892 k = 0.1257 0.2177-0.0000 ( 1729 PWs) bands (ev): -4.2308 -4.2301 -2.4795 -2.4775 3.9110 3.9131 5.7308 5.7317 6.1595 6.1637 6.2256 6.2288 7.2890 7.3107 7.5942 7.5977 8.0555 8.0613 8.7166 8.7671 9.1502 9.1712 9.2629 9.2978 9.3483 9.3763 9.7100 9.7743 10.2552 10.2556 11.1167 11.1343 11.3089 11.3136 11.6273 11.6366 16.5144 16.5553 16.7410 16.7412 k = 0.1202 0.2082-0.0000 ( 1731 PWs) bands (ev): -4.2742 -4.2736 -2.4908 -2.4888 3.8561 3.8581 5.7659 5.7667 6.1848 6.1878 6.3218 6.3269 7.3447 7.3680 7.6545 7.6591 8.0497 8.0559 8.6996 8.7507 9.1474 9.1688 9.2659 9.3002 9.3494 9.3772 9.7184 9.7815 10.2656 10.2657 11.0748 11.0922 11.3385 11.3433 11.6791 11.6880 16.4407 16.4712 16.6788 16.6795 k = 0.1148 0.1988-0.0000 ( 1723 PWs) bands (ev): -4.3160 -4.3154 -2.5020 -2.5000 3.8032 3.8052 5.8003 5.8010 6.1947 6.1973 6.4311 6.4373 7.4013 7.4263 7.7159 7.7216 8.0450 8.0518 8.6829 8.7348 9.1446 9.1666 9.2696 9.3031 9.3506 9.3780 9.7250 9.7870 10.2749 10.2755 11.0296 11.0468 11.3705 11.3755 11.7311 11.7395 16.3509 16.3749 16.6021 16.6034 k = 0.1093 0.1893-0.0000 ( 1723 PWs) bands (ev): -4.3563 -4.3557 -2.5131 -2.5112 3.7525 3.7544 5.8338 5.8345 6.2011 6.2035 6.5408 6.5481 7.4584 7.4852 7.7780 7.7848 8.0412 8.0490 8.6666 8.7193 9.1419 9.1648 9.2736 9.3062 9.3516 9.3787 9.7299 9.7906 10.2837 10.2846 10.9817 10.9985 11.4053 11.4104 11.7826 11.7906 16.2533 16.2730 16.5128 16.5146 k = 0.1038 0.1798-0.0000 ( 1737 PWs) bands (ev): -4.3949 -4.3944 -2.5241 -2.5222 3.7039 3.7058 5.8663 5.8670 6.2057 6.2080 6.6488 6.6574 7.5157 7.5445 7.8407 7.8483 8.0383 8.0477 8.6507 8.7043 9.1395 9.1636 9.2776 9.3092 9.3526 9.3793 9.7329 9.7923 10.2919 10.2930 10.9314 10.9477 11.4427 11.4479 11.8332 11.8408 16.1515 16.1682 16.4136 16.4158 k = 0.0984 0.1704-0.0000 ( 1733 PWs) bands (ev): -4.4319 -4.4313 -2.5348 -2.5330 3.6576 3.6594 5.8979 5.8985 6.2091 6.2112 6.7544 6.7643 7.5732 7.6041 7.9034 7.9108 8.0372 8.0499 8.6353 8.6899 9.1379 9.1637 9.2822 9.3126 9.3535 9.3799 9.7343 9.7922 10.2995 10.3008 10.8791 10.8948 11.4833 11.4885 11.8827 11.8898 16.0471 16.0616 16.3073 16.3097 k = 0.0929 0.1609-0.0000 ( 1733 PWs) bands (ev): -4.4670 -4.4665 -2.5453 -2.5436 3.6136 3.6153 5.9283 5.9289 6.2115 6.2135 6.8568 6.8682 7.6303 7.6635 7.9652 7.9680 8.0384 8.0590 8.6204 8.6760 9.1373 9.1652 9.2869 9.3161 9.3544 9.3803 9.7340 9.7903 10.3067 10.3079 10.8253 10.8401 11.5268 11.5320 11.9306 11.9373 15.9410 15.9538 16.1964 16.1988 k = 0.0874 0.1514-0.0000 ( 1733 PWs) bands (ev): -4.5004 -4.4999 -2.5554 -2.5538 3.5719 3.5735 5.9575 5.9581 6.2131 6.2149 6.9553 6.9683 7.6869 7.7225 8.0078 8.0186 8.0490 8.0871 8.6060 8.6627 9.1382 9.1686 9.2918 9.3197 9.3551 9.3807 9.7321 9.7867 10.3133 10.3145 10.7701 10.7840 11.5732 11.5785 11.9767 11.9830 15.8338 15.8452 16.0827 16.0851 k = 0.0820 0.1420-0.0000 ( 1733 PWs) bands (ev): -4.5320 -4.5315 -2.5652 -2.5637 3.5325 3.5341 5.9854 5.9860 6.2139 6.2156 7.0493 7.0640 7.7427 7.7808 8.0255 8.0354 8.0965 8.1379 8.5922 8.6499 9.1411 9.1745 9.2969 9.3232 9.3558 9.3810 9.7287 9.7816 10.3194 10.3206 10.7140 10.7266 11.6226 11.6278 12.0206 12.0265 15.7258 15.7362 15.9678 15.9702 k = 0.0765 0.1325-0.0000 ( 1741 PWs) bands (ev): -4.5617 -4.5612 -2.5746 -2.5731 3.4956 3.4971 6.0119 6.0124 6.2142 6.2158 7.1381 7.1546 7.7972 7.8381 8.0352 8.0422 8.1538 8.1969 8.5790 8.6376 9.1467 9.1833 9.3022 9.3266 9.3564 9.3811 9.7240 9.7750 10.3250 10.3261 10.6571 10.6682 11.6747 11.6798 12.0621 12.0675 15.6177 15.6271 15.8532 15.8555 k = 0.0710 0.1230-0.0000 ( 1741 PWs) bands (ev): -4.5894 -4.5890 -2.5835 -2.5822 3.4610 3.4624 6.0370 6.0375 6.2140 6.2154 7.2213 7.2393 7.8504 7.8941 8.0440 8.0501 8.2095 8.2561 8.5666 8.6261 9.1557 9.1956 9.3077 9.3299 9.3570 9.3813 9.7182 9.7672 10.3302 10.3311 10.5999 10.6093 11.7293 11.7344 12.1009 12.1059 15.5096 15.5183 15.7401 15.7423 k = 0.0656 0.1136-0.0000 ( 1741 PWs) bands (ev): -4.6153 -4.6149 -2.5919 -2.5907 3.4289 3.4303 6.0606 6.0611 6.2134 6.2148 7.2982 7.3176 7.9019 7.9484 8.0540 8.0605 8.2613 8.3121 8.5552 8.6151 9.1690 9.2117 9.3137 9.3329 9.3577 9.3816 9.7116 9.7585 10.3349 10.3357 10.5425 10.5499 11.7862 11.7910 12.1368 12.1414 15.4023 15.4102 15.6296 15.6317 k = 0.0601 0.1041-0.0000 ( 1741 PWs) bands (ev): -4.6392 -4.6388 -2.5998 -2.5986 3.3993 3.4006 6.0826 6.0830 6.2126 6.2138 7.3683 7.3886 7.9512 8.0004 8.0664 8.0739 8.3082 8.3628 8.5450 8.6047 9.1874 9.2314 9.3205 9.3357 9.3586 9.3823 9.7043 9.7491 10.3392 10.3398 10.4853 10.4905 11.8447 11.8494 12.1697 12.1739 15.2963 15.3036 15.5229 15.5248 k = 0.0546 0.0946-0.0000 ( 1743 PWs) bands (ev): -4.6610 -4.6607 -2.6071 -2.6060 3.3722 3.3734 6.1029 6.1033 6.2115 6.2126 7.4310 7.4518 7.9981 8.0488 8.0826 8.0908 8.3490 8.4059 8.5364 8.5947 9.2114 9.2538 9.3287 9.3381 9.3599 9.3842 9.6967 9.7391 10.3430 10.3434 10.4285 10.4311 11.9043 11.9088 12.1994 12.2032 15.1924 15.1991 15.4210 15.4228 k = 0.0492 0.0852-0.0000 ( 1747 PWs) bands (ev): -4.6809 -4.6806 -2.6138 -2.6128 3.3477 3.3487 6.1215 6.1218 6.2103 6.2113 7.4863 7.5068 8.0421 8.0865 8.1097 8.1117 8.3832 8.4390 8.5306 8.5850 9.2411 9.2761 9.3389 9.3402 9.3617 9.3891 9.6890 9.7289 10.3462 10.3463 10.3725 10.3725 11.9642 11.9685 12.2259 12.2293 15.0916 15.0976 15.3249 15.3266 k = 0.0437 0.0757-0.0000 ( 1745 PWs) bands (ev): -4.6987 -4.6985 -2.6199 -2.6190 3.3256 3.3265 6.1383 6.1386 6.2091 6.2100 7.5340 7.5535 8.0827 8.1106 8.1368 8.1501 8.4105 8.4603 8.5290 8.5755 9.2752 9.2944 9.3426 9.3498 9.3652 9.4023 9.6816 9.7189 10.3130 10.3166 10.3498 10.3503 12.0237 12.0276 12.2492 12.2521 14.9948 15.0003 15.2358 15.2373 k = 0.0383 0.0663-0.0000 ( 1745 PWs) bands (ev): -4.7145 -4.7143 -2.6253 -2.6245 3.3062 3.3070 6.1533 6.1536 6.2079 6.2087 7.5742 7.5921 8.1189 8.1331 8.1661 8.1910 8.4312 8.4693 8.5315 8.5658 9.3068 9.3081 9.3463 9.3568 9.3738 9.4291 9.6746 9.7091 10.2556 10.2625 10.3523 10.3526 12.0814 12.0850 12.2693 12.2718 14.9034 14.9083 15.1545 15.1558 k = 0.0328 0.0568-0.0000 ( 1745 PWs) bands (ev): -4.7282 -4.7280 -2.6300 -2.6294 3.2893 3.2900 6.1664 6.1666 6.2067 6.2074 7.6073 7.6230 8.1507 8.1563 8.1987 8.2293 8.4459 8.4704 8.5347 8.5558 9.3149 9.3269 9.3520 9.3597 9.3985 9.4668 9.6685 9.7001 10.1994 10.2096 10.3546 10.3547 12.1361 12.1393 12.2865 12.2886 14.8189 14.8232 15.0819 15.0831 k = 0.0273 0.0473-0.0000 ( 1749 PWs) bands (ev): -4.7398 -4.7397 -2.6341 -2.6335 3.2750 3.2755 6.1775 6.1777 6.2057 6.2062 7.6338 7.6471 8.1784 8.1796 8.2326 8.2638 8.4555 8.4683 8.5346 8.5451 9.3205 9.3323 9.3561 9.3606 9.4404 9.5098 9.6635 9.6921 10.1449 10.1583 10.3564 10.3565 12.1862 12.1889 12.3011 12.3027 14.7429 14.7466 15.0190 15.0200 k = 0.0219 0.0379-0.0000 ( 1749 PWs) bands (ev): -4.7493 -4.7492 -2.6374 -2.6369 3.2633 3.2637 6.1867 6.1869 6.2048 6.2052 7.6545 7.6652 8.2017 8.2023 8.2661 8.2940 8.4611 8.4659 8.5302 8.5337 9.3245 9.3337 9.3583 9.3607 9.4883 9.5532 9.6604 9.6856 10.0933 10.1092 10.3579 10.3580 12.2297 12.2317 12.3136 12.3146 14.6772 14.6802 14.9665 14.9673 k = 0.0164 0.0284-0.0000 ( 1745 PWs) bands (ev): -4.7567 -4.7566 -2.6399 -2.6396 3.2542 3.2545 6.1939 6.1940 6.2042 6.2045 7.6701 7.6780 8.2213 8.2221 8.2971 8.3192 8.4643 8.4649 8.5218 8.5219 9.3275 9.3339 9.3596 9.3607 9.5355 9.5917 9.6609 9.6814 10.0463 10.0635 10.3591 10.3592 12.2645 12.2657 12.3248 12.3252 14.6236 14.6260 14.9249 14.9255 k = 0.0109 0.0189-0.0000 ( 1745 PWs) bands (ev): -4.7620 -4.7620 -2.6418 -2.6415 3.2477 3.2479 6.1990 6.1991 6.2037 6.2039 7.6811 7.6863 8.2367 8.2370 8.3233 8.3382 8.4659 8.4666 8.5099 8.5108 9.3297 9.3336 9.3603 9.3606 9.5769 9.6172 9.6685 9.6805 10.0073 10.0231 10.3599 10.3599 12.2882 12.2887 12.3352 12.3353 14.5840 14.5856 14.8949 14.8953 k = 0.0055 0.0095-0.0000 ( 1745 PWs) bands (ev): -4.7652 -4.7652 -2.6429 -2.6427 3.2438 3.2439 6.2021 6.2021 6.2035 6.2036 7.6880 7.6906 8.2464 8.2464 8.3421 8.3494 8.4693 8.4693 8.4995 8.4998 9.3312 9.3330 9.3606 9.3606 9.6065 9.6252 9.6813 9.6836 9.9820 9.9921 10.3603 10.3603 12.3007 12.3008 12.3434 12.3437 14.5597 14.5605 14.8768 14.8770 k = 0.0000 0.0000 0.0000 ( 1749 PWs) bands (ev): -4.7662 -4.7662 -2.6432 -2.6432 3.2425 3.2425 6.2028 6.2028 6.2037 6.2037 7.6911 7.6911 8.2496 8.2496 8.3510 8.3510 8.4714 8.4714 8.4944 8.4944 9.3322 9.3322 9.3606 9.3606 9.6216 9.6216 9.6867 9.6867 9.9766 9.9766 10.3605 10.3605 12.3044 12.3044 12.3469 12.3469 14.5517 14.5517 14.8708 14.8708 k = 0.0000 0.0000 0.0000 ( 1749 PWs) bands (ev): -4.7662 -4.7662 -2.6432 -2.6432 3.2425 3.2425 6.2028 6.2028 6.2037 6.2037 7.6911 7.6911 8.2496 8.2496 8.3510 8.3510 8.4714 8.4714 8.4944 8.4944 9.3322 9.3322 9.3606 9.3606 9.6216 9.6216 9.6867 9.6867 9.9766 9.9766 10.3605 10.3605 12.3044 12.3044 12.3469 12.3469 14.5517 14.5517 14.8708 14.8708 k = 0.0000 0.0000 0.0106 ( 1749 PWs) bands (ev): -4.7652 -4.7652 -2.6455 -2.6455 3.2465 3.2465 6.2037 6.2037 6.2046 6.2046 7.6906 7.6906 8.2463 8.2463 8.3467 8.3467 8.4719 8.4719 8.4945 8.4945 9.3297 9.3297 9.3576 9.3576 9.6282 9.6282 9.6933 9.6933 9.9717 9.9717 10.3586 10.3586 12.3035 12.3035 12.3458 12.3458 14.5542 14.5542 14.8763 14.8763 k = 0.0000 0.0000 0.0212 ( 1755 PWs) bands (ev): -4.7622 -4.7622 -2.6525 -2.6525 3.2585 3.2585 6.2061 6.2061 6.2070 6.2070 7.6891 7.6891 8.2362 8.2362 8.3337 8.3337 8.4732 8.4732 8.4947 8.4947 9.3228 9.3228 9.3491 9.3491 9.6473 9.6473 9.7122 9.7122 9.9573 9.9573 10.3531 10.3531 12.3005 12.3005 12.3428 12.3428 14.5616 14.5616 14.8927 14.8927 k = 0.0000 0.0000 0.0319 ( 1743 PWs) bands (ev): -4.7571 -4.7571 -2.6641 -2.6641 3.2783 3.2783 6.2103 6.2103 6.2111 6.2111 7.6863 7.6863 8.2200 8.2200 8.3129 8.3129 8.4756 8.4756 8.4957 8.4957 9.3128 9.3128 9.3369 9.3369 9.6769 9.6769 9.7417 9.7417 9.9339 9.9339 10.3440 10.3440 12.2957 12.2957 12.3376 12.3376 14.5739 14.5739 14.9196 14.9196 k = 0.0000 0.0000 0.0425 ( 1737 PWs) bands (ev): -4.7500 -4.7500 -2.6802 -2.6802 3.3058 3.3058 6.2161 6.2161 6.2169 6.2169 7.6828 7.6828 8.1974 8.1974 8.2847 8.2847 8.4790 8.4790 8.4972 8.4972 9.3010 9.3010 9.3223 9.3223 9.7146 9.7146 9.7797 9.7797 9.9024 9.9024 10.3311 10.3311 12.2889 12.2889 12.3305 12.3305 14.5911 14.5911 14.9566 14.9566 k = 0.0000 0.0000 0.0531 ( 1737 PWs) bands (ev): -4.7408 -4.7408 -2.7007 -2.7007 3.3409 3.3409 6.2236 6.2236 6.2243 6.2243 7.6771 7.6771 8.1689 8.1689 8.2502 8.2502 8.4832 8.4832 8.4997 8.4997 9.2881 9.2881 9.3064 9.3064 9.7570 9.7570 9.8242 9.8242 9.8654 9.8654 10.3147 10.3147 12.2802 12.2802 12.3212 12.3212 14.6129 14.6129 15.0028 15.0028 k = 0.0000 0.0000 0.0637 ( 1737 PWs) bands (ev): -4.7297 -4.7297 -2.7253 -2.7253 3.3834 3.3834 6.2327 6.2327 6.2334 6.2334 7.6696 7.6696 8.1353 8.1353 8.2102 8.2102 8.4884 8.4884 8.5031 8.5031 9.2747 9.2747 9.2901 9.2901 9.7854 9.7854 9.8413 9.8413 9.8741 9.8741 10.2949 10.2949 12.2695 12.2695 12.3099 12.3099 14.6394 14.6394 15.0576 15.0576 k = 0.0000 0.0000 0.0744 ( 1743 PWs) bands (ev): -4.7165 -4.7165 -2.7538 -2.7538 3.4331 3.4331 6.2435 6.2435 6.2441 6.2441 7.6593 7.6593 8.0970 8.0970 8.1658 8.1658 8.4945 8.4945 8.5077 8.5077 9.2608 9.2608 9.2735 9.2735 9.7513 9.7513 9.8784 9.8784 9.9281 9.9281 10.2720 10.2720 12.2569 12.2569 12.2965 12.2965 14.6703 14.6703 15.1198 15.1198 k = 0.0000 0.0000 0.0850 ( 1743 PWs) bands (ev): -4.7014 -4.7014 -2.7860 -2.7860 3.4896 3.4896 6.2559 6.2559 6.2564 6.2564 7.6466 7.6466 8.0549 8.0549 8.1177 8.1177 8.5015 8.5015 8.5134 8.5134 9.2466 9.2466 9.2570 9.2570 9.6975 9.6975 9.9348 9.9348 9.9857 9.9857 10.2460 10.2460 12.2423 12.2423 12.2811 12.2811 14.7055 14.7055 15.1884 15.1884 k = 0.0000 0.0000 0.0956 ( 1743 PWs) bands (ev): -4.6843 -4.6843 -2.8216 -2.8216 3.5528 3.5528 6.2700 6.2700 6.2704 6.2704 7.6304 7.6304 8.0095 8.0095 8.0667 8.0667 8.5094 8.5094 8.5201 8.5201 9.2318 9.2318 9.2404 9.2404 9.6390 9.6390 9.9962 9.9962 10.0459 10.0459 10.2172 10.2172 12.2257 12.2257 12.2635 12.2635 14.7448 14.7448 15.2624 15.2624 k = 0.0000 0.0000 0.1062 ( 1743 PWs) bands (ev): -4.6652 -4.6652 -2.8605 -2.8605 3.6222 3.6222 6.2857 6.2857 6.2860 6.2860 7.6100 7.6100 7.9614 7.9614 8.0135 8.0135 8.5182 8.5182 8.5279 8.5279 9.2164 9.2164 9.2238 9.2238 9.5787 9.5787 10.0604 10.0604 10.1085 10.1085 10.1858 10.1858 12.2071 12.2071 12.2439 12.2439 14.7879 14.7879 15.3406 15.3406 k = 0.0000 0.0000 0.1169 ( 1743 PWs) bands (ev): -4.6441 -4.6441 -2.9022 -2.9022 3.6977 3.6977 6.3030 6.3030 6.3031 6.3031 7.5848 7.5848 7.9112 7.9112 7.9585 7.9585 8.5279 8.5279 8.5367 8.5367 9.2002 9.2002 9.2071 9.2071 9.5186 9.5186 10.1267 10.1267 10.1520 10.1520 10.1728 10.1728 12.1865 12.1865 12.2222 12.2222 14.8348 14.8348 15.4219 15.4219 k = 0.0000 0.0000 0.1275 ( 1743 PWs) bands (ev): -4.6211 -4.6211 -2.9465 -2.9465 3.7788 3.7788 6.3219 6.3219 6.3220 6.3220 7.5539 7.5539 7.8593 7.8593 7.9022 7.9022 8.5383 8.5383 8.5464 8.5464 9.1831 9.1831 9.1901 9.1901 9.4605 9.4605 10.1160 10.1160 10.1947 10.1947 10.2386 10.2386 12.1640 12.1640 12.1983 12.1983 14.8852 14.8852 15.5050 15.5050 k = 0.0000 0.0000 0.1381 ( 1743 PWs) bands (ev): -4.5962 -4.5962 -2.9931 -2.9931 3.8653 3.8653 6.3423 6.3423 6.3425 6.3425 7.5165 7.5165 7.8061 7.8061 7.8451 7.8451 8.5496 8.5496 8.5571 8.5571 9.1649 9.1649 9.1730 9.1730 9.4059 9.4059 10.0780 10.0780 10.2638 10.2638 10.3055 10.3055 12.1394 12.1394 12.1724 12.1724 14.9387 14.9387 15.5887 15.5887 k = 0.0000 0.0000 0.1487 ( 1743 PWs) bands (ev): -4.5695 -4.5695 -3.0418 -3.0418 3.9567 3.9567 6.3643 6.3643 6.3647 6.3647 7.4720 7.4720 7.7521 7.7521 7.7873 7.7873 8.5617 8.5617 8.5687 8.5687 9.1455 9.1455 9.1555 9.1555 9.3563 9.3563 10.0383 10.0383 10.3339 10.3339 10.3733 10.3733 12.1129 12.1129 12.1444 12.1444 14.9953 14.9953 15.6718 15.6718 k = 0.0000 0.0000 0.1594 ( 1743 PWs) bands (ev): -4.5408 -4.5408 -3.0922 -3.0922 4.0529 4.0529 6.3878 6.3878 6.3884 6.3884 7.4196 7.4196 7.6974 7.6974 7.7292 7.7292 8.5746 8.5746 8.5811 8.5811 9.1249 9.1249 9.1377 9.1377 9.3128 9.3128 9.9971 9.9971 10.4045 10.4045 10.4416 10.4416 12.0843 12.0843 12.1143 12.1143 15.0547 15.0547 15.7531 15.7531 k = 0.0000 0.0000 0.1700 ( 1731 PWs) bands (ev): -4.5103 -4.5103 -3.1442 -3.1442 4.1535 4.1535 6.4129 6.4129 6.4138 6.4138 7.3592 7.3592 7.6424 7.6424 7.6712 7.6712 8.5882 8.5882 8.5943 8.5943 9.1038 9.1038 9.1198 9.1198 9.2761 9.2761 9.9547 9.9547 10.4757 10.4757 10.5104 10.5104 12.0537 12.0537 12.0821 12.0821 15.1165 15.1165 15.8311 15.8311 k = 0.0000 0.0000 0.1806 ( 1737 PWs) bands (ev): -4.4780 -4.4780 -3.1974 -3.1974 4.2582 4.2582 6.4395 6.4395 6.4407 6.4407 7.2902 7.2902 7.5871 7.5871 7.6132 7.6132 8.6024 8.6024 8.6082 8.6082 9.0820 9.0820 9.1013 9.1013 9.2462 9.2462 9.9112 9.9112 10.5469 10.5469 10.5793 10.5793 12.0211 12.0211 12.0477 12.0477 15.1806 15.1806 15.9047 15.9047 k = 0.0000 0.0000 0.1912 ( 1737 PWs) bands (ev): -4.4440 -4.4440 -3.2517 -3.2517 4.3666 4.3666 6.4677 6.4677 6.4691 6.4691 7.2129 7.2129 7.5319 7.5319 7.5555 7.5555 8.6173 8.6173 8.6228 8.6228 9.0607 9.0607 9.0825 9.0825 9.2228 9.2228 9.8669 9.8669 10.6181 10.6181 10.6481 10.6481 11.9865 11.9865 12.0113 12.0113 15.2466 15.2466 15.9723 15.9723 k = 0.0000 0.0000 0.2019 ( 1737 PWs) bands (ev): -4.4082 -4.4082 -3.3068 -3.3068 4.4785 4.4785 6.4974 6.4974 6.4991 6.4991 7.1275 7.1275 7.4770 7.4770 7.4984 7.4984 8.6329 8.6329 8.6382 8.6382 9.0402 9.0402 9.0633 9.0633 9.2055 9.2055 9.8220 9.8220 10.6892 10.6892 10.7168 10.7168 11.9499 11.9499 11.9728 11.9728 15.3142 15.3142 16.0329 16.0329 k = 0.0000 0.0000 0.2125 ( 1737 PWs) bands (ev): -4.3707 -4.3707 -3.3624 -3.3624 4.5935 4.5935 6.5285 6.5285 6.5306 6.5306 7.0347 7.0347 7.4224 7.4224 7.4418 7.4418 8.6491 8.6491 8.6542 8.6542 9.0208 9.0208 9.0439 9.0439 9.1940 9.1940 9.7767 9.7767 10.7599 10.7599 10.7851 10.7851 11.9113 11.9113 11.9323 11.9323 15.3831 15.3831 16.0851 16.0851 k = 0.0000 0.0000 0.2231 ( 1737 PWs) bands (ev): -4.3316 -4.3316 -3.4185 -3.4185 4.7114 4.7114 6.5612 6.5612 6.5636 6.5636 6.9349 6.9349 7.3683 7.3683 7.3859 7.3859 8.6659 8.6659 8.6709 8.6709 9.0022 9.0022 9.0242 9.0242 9.1881 9.1881 9.7313 9.7313 10.8302 10.8302 10.8530 10.8530 11.8707 11.8707 11.8897 11.8897 15.4530 15.4530 16.1278 16.1278 k = 0.0000 0.0000 0.2337 ( 1743 PWs) bands (ev): -4.2908 -4.2908 -3.4747 -3.4747 4.8318 4.8318 6.5953 6.5953 6.5981 6.5981 6.8291 6.8291 7.3147 7.3147 7.3307 7.3307 8.6831 8.6831 8.6880 8.6880 8.9840 8.9840 9.0041 9.0041 9.1878 9.1878 9.6860 9.6860 10.8998 10.8998 10.9202 10.9202 11.8282 11.8282 11.8451 11.8451 15.5233 15.5233 16.1601 16.1601 k = 0.0000 0.0000 0.2444 ( 1707 PWs) bands (ev): -4.2484 -4.2484 -3.5310 -3.5310 4.9546 4.9546 6.6311 6.6311 6.6343 6.6343 6.7182 6.7182 7.2620 7.2620 7.2765 7.2765 8.7013 8.7013 8.7062 8.7062 8.9663 8.9663 8.9842 8.9842 9.1934 9.1934 9.6415 9.6415 10.9688 10.9688 10.9868 10.9868 11.7839 11.7839 11.7987 11.7987 15.5937 15.5937 16.1815 16.1815 k = 0.0000 0.0000 0.2550 ( 1707 PWs) bands (ev): -4.2046 -4.2046 -3.5872 -3.5872 5.0793 5.0793 6.6026 6.6026 6.6680 6.6680 6.6717 6.6717 7.2099 7.2099 7.2232 7.2232 8.7195 8.7195 8.7244 8.7244 8.9483 8.9483 8.9638 8.9638 9.2039 9.2039 9.5970 9.5970 11.0368 11.0368 11.0524 11.0524 11.7376 11.7376 11.7502 11.7502 15.6638 15.6638 16.1915 16.1915 k = 0.0000 0.0000 0.2656 ( 1707 PWs) bands (ev): -4.1593 -4.1593 -3.6430 -3.6430 5.2056 5.2056 6.4831 6.4831 6.7063 6.7063 6.7105 6.7105 7.1587 7.1587 7.1707 7.1707 8.7380 8.7380 8.7430 8.7430 8.9299 8.9299 8.9434 8.9434 9.2193 9.2193 9.5533 9.5533 11.1039 11.1039 11.1170 11.1170 11.6894 11.6894 11.6997 11.6997 15.7328 15.7328 16.1903 16.1903 k = 0.0000 0.0000 0.2762 ( 1707 PWs) bands (ev): -4.1127 -4.1127 -3.6985 -3.6985 5.3333 5.3333 6.3605 6.3605 6.7460 6.7460 6.7508 6.7508 7.1084 7.1084 7.1193 7.1193 8.7569 8.7569 8.7621 8.7621 8.9112 8.9112 8.9229 8.9229 9.2392 9.2392 9.5106 9.5106 11.1698 11.1698 11.1806 11.1806 11.6394 11.6394 11.6475 11.6475 15.8002 15.8002 16.1783 16.1783 k = 0.0000 0.0000 0.2869 ( 1707 PWs) bands (ev): -4.0647 -4.0647 -3.7534 -3.7534 5.4620 5.4620 6.2354 6.2354 6.7871 6.7871 6.7924 6.7924 7.0592 7.0592 7.0690 7.0690 8.7760 8.7760 8.7815 8.7815 8.8922 8.8922 8.9023 8.9023 9.2632 9.2632 9.4692 9.4692 11.2346 11.2346 11.2430 11.2430 11.5876 11.5876 11.5934 11.5934 15.8653 15.8653 16.1561 16.1561 k = 0.0000 0.0000 0.2975 ( 1702 PWs) bands (ev): -4.0154 -4.0154 -3.8076 -3.8076 5.5914 5.5914 6.1084 6.1084 6.8294 6.8294 6.8353 6.8353 7.0109 7.0109 7.0199 7.0199 8.7953 8.7953 8.8012 8.8012 8.8731 8.8731 8.8819 8.8819 9.2908 9.2908 9.4292 9.4292 11.2981 11.2981 11.3041 11.3041 11.5341 11.5341 11.5376 11.5376 15.9272 15.9272 16.1246 16.1246 k = 0.0000 0.0000 0.3081 ( 1702 PWs) bands (ev): -3.9650 -3.9650 -3.8610 -3.8610 5.7211 5.7211 5.9801 5.9801 6.8730 6.8730 6.8796 6.8796 6.9638 6.9638 6.9719 6.9719 8.8148 8.8148 8.8212 8.8212 8.8537 8.8537 8.8615 8.8615 9.3216 9.3216 9.3911 9.3911 11.3603 11.3603 11.3639 11.3639 11.4789 11.4789 11.4801 11.4801 15.9851 15.9851 16.0849 16.0849 k = 0.0000 0.0000 0.3187 ( 1690 PWs) bands (ev): -3.9135 -3.9135 -3.9135 -3.9135 5.8508 5.8508 5.8508 5.8508 6.9179 6.9179 6.9179 6.9179 6.9252 6.9252 6.9252 6.9252 8.8344 8.8344 8.8344 8.8344 8.8414 8.8414 8.8414 8.8414 9.3551 9.3551 9.3551 9.3551 11.4210 11.4210 11.4210 11.4210 11.4222 11.4222 11.4222 11.4222 16.0381 16.0381 16.0381 16.0381 k = 0.0000 0.0000 0.3187 ( 1690 PWs) bands (ev): -3.9135 -3.9135 -3.9135 -3.9135 5.8508 5.8508 5.8508 5.8508 6.9179 6.9179 6.9179 6.9179 6.9252 6.9252 6.9252 6.9252 8.8344 8.8344 8.8344 8.8344 8.8414 8.8414 8.8414 8.8414 9.3551 9.3551 9.3551 9.3551 11.4210 11.4210 11.4210 11.4210 11.4222 11.4222 11.4222 11.4222 16.0381 16.0381 16.0381 16.0381 k = 0.0094 0.0054 0.3187 ( 1698 PWs) bands (ev): -3.9126 -3.9126 -3.9126 -3.9126 5.8495 5.8495 5.8495 5.8495 6.9175 6.9175 6.9175 6.9175 6.9247 6.9247 6.9250 6.9250 8.8324 8.8324 8.8337 8.8337 8.8421 8.8421 8.8423 8.8423 9.3556 9.3556 9.3569 9.3569 11.4163 11.4163 11.4172 11.4172 11.4216 11.4216 11.4220 11.4220 16.0430 16.0430 16.0435 16.0435 k = 0.0189 0.0109 0.3187 ( 1702 PWs) bands (ev): -3.9101 -3.9101 -3.9100 -3.9100 5.8455 5.8455 5.8455 5.8455 6.9163 6.9163 6.9164 6.9164 6.9236 6.9236 6.9241 6.9241 8.8291 8.8291 8.8313 8.8313 8.8436 8.8436 8.8445 8.8445 9.3584 9.3584 9.3610 9.3610 11.4042 11.4042 11.4061 11.4061 11.4192 11.4192 11.4204 11.4204 16.0581 16.0581 16.0590 16.0590 k = 0.0283 0.0163 0.3187 ( 1702 PWs) bands (ev): -3.9058 -3.9058 -3.9057 -3.9057 5.8388 5.8388 5.8388 5.8388 6.9144 6.9144 6.9145 6.9145 6.9220 6.9220 6.9228 6.9228 8.8252 8.8252 8.8280 8.8280 8.8451 8.8451 8.8471 8.8471 9.3634 9.3634 9.3673 9.3673 11.3847 11.3847 11.3878 11.3878 11.4155 11.4155 11.4173 11.4173 16.0831 16.0831 16.0844 16.0844 k = 0.0377 0.0218 0.3187 ( 1710 PWs) bands (ev): -3.8998 -3.8998 -3.8996 -3.8996 5.8294 5.8294 5.8294 5.8294 6.9117 6.9117 6.9118 6.9118 6.9199 6.9199 6.9210 6.9210 8.8207 8.8207 8.8239 8.8239 8.8465 8.8465 8.8495 8.8495 9.3705 9.3705 9.3757 9.3757 11.3581 11.3581 11.3624 11.3624 11.4103 11.4103 11.4129 11.4129 16.1171 16.1171 16.1189 16.1189 k = 0.0472 0.0272 0.3187 ( 1716 PWs) bands (ev): -3.8922 -3.8922 -3.8919 -3.8919 5.8172 5.8172 5.8172 5.8172 6.9083 6.9083 6.9084 6.9084 6.9174 6.9174 6.9188 6.9188 8.8157 8.8157 8.8193 8.8193 8.8478 8.8478 8.8520 8.8520 9.3798 9.3798 9.3863 9.3863 11.3252 11.3252 11.3306 11.3306 11.4038 11.4038 11.4070 11.4070 16.1592 16.1592 16.1614 16.1614 k = 0.0566 0.0327 0.3187 ( 1716 PWs) bands (ev): -3.8828 -3.8828 -3.8825 -3.8825 5.8021 5.8021 5.8021 5.8021 6.9042 6.9042 6.9044 6.9044 6.9146 6.9146 6.9163 6.9163 8.8103 8.8103 8.8141 8.8141 8.8492 8.8492 8.8545 8.8545 9.3911 9.3911 9.3990 9.3990 11.2864 11.2864 11.2930 11.2930 11.3960 11.3960 11.3999 11.3999 16.2082 16.2082 16.2106 16.2106 k = 0.0660 0.0381 0.3187 ( 1716 PWs) bands (ev): -3.8717 -3.8717 -3.8714 -3.8714 5.7842 5.7842 5.7842 5.7842 6.8997 6.8997 6.8998 6.8998 6.9115 6.9115 6.9134 6.9134 8.8043 8.8043 8.8082 8.8082 8.8505 8.8505 8.8570 8.8570 9.4044 9.4044 9.4137 9.4137 11.2424 11.2424 11.2502 11.2502 11.3869 11.3869 11.3915 11.3915 16.2622 16.2622 16.2650 16.2650 k = 0.0755 0.0436 0.3187 ( 1712 PWs) bands (ev): -3.8590 -3.8590 -3.8586 -3.8586 5.7632 5.7632 5.7632 5.7632 6.8948 6.8948 6.8949 6.8949 6.9082 6.9082 6.9101 6.9101 8.7978 8.7978 8.8018 8.8018 8.8519 8.8519 8.8596 8.8596 9.4195 9.4195 9.4303 9.4303 11.1940 11.1940 11.2031 11.2031 11.3766 11.3766 11.3818 11.3818 16.3191 16.3191 16.3221 16.3221 k = 0.0849 0.0490 0.3187 ( 1714 PWs) bands (ev): -3.8447 -3.8447 -3.8442 -3.8442 5.7393 5.7393 5.7393 5.7393 6.8897 6.8897 6.8897 6.8897 6.9044 6.9044 6.9064 6.9064 8.7905 8.7905 8.7946 8.7946 8.8533 8.8533 8.8621 8.8621 9.4363 9.4363 9.4486 9.4486 11.1420 11.1420 11.1525 11.1525 11.3651 11.3651 11.3709 11.3709 16.3762 16.3762 16.3794 16.3794 k = 0.0943 0.0545 0.3187 ( 1714 PWs) bands (ev): -3.8288 -3.8288 -3.8282 -3.8282 5.7122 5.7122 5.7122 5.7122 6.8844 6.8844 6.8845 6.8845 6.9003 6.9003 6.9024 6.9024 8.7826 8.7826 8.7868 8.7868 8.8550 8.8550 8.8648 8.8648 9.4546 9.4546 9.4684 9.4684 11.0872 11.0872 11.0990 11.0990 11.3524 11.3524 11.3588 11.3588 16.4298 16.4298 16.4332 16.4332 k = 0.1038 0.0599 0.3187 ( 1714 PWs) bands (ev): -3.8112 -3.8112 -3.8106 -3.8106 5.6820 5.6820 5.6821 5.6821 6.8791 6.8791 6.8794 6.8794 6.8959 6.8959 6.8979 6.8979 8.7740 8.7740 8.7783 8.7783 8.8569 8.8569 8.8678 8.8678 9.4742 9.4742 9.4897 9.4897 11.0302 11.0302 11.0436 11.0436 11.3386 11.3386 11.3455 11.3455 16.4757 16.4757 16.4792 16.4792 k = 0.1132 0.0654 0.3187 ( 1714 PWs) bands (ev): -3.7922 -3.7922 -3.7915 -3.7915 5.6488 5.6488 5.6488 5.6488 6.8738 6.8738 6.8743 6.8743 6.8913 6.8913 6.8931 6.8931 8.7648 8.7648 8.7691 8.7691 8.8591 8.8591 8.8709 8.8709 9.4948 9.4948 9.5122 9.5122 10.9719 10.9719 10.9870 10.9870 11.3237 11.3237 11.3311 11.3311 16.5091 16.5091 16.5126 16.5126 k = 0.1226 0.0708 0.3187 ( 1714 PWs) bands (ev): -3.7716 -3.7716 -3.7709 -3.7709 5.6124 5.6124 5.6124 5.6124 6.8685 6.8685 6.8694 6.8694 6.8865 6.8865 6.8880 6.8880 8.7550 8.7550 8.7592 8.7592 8.8617 8.8617 8.8744 8.8744 9.5163 9.5163 9.5357 9.5357 10.9130 10.9130 10.9299 10.9299 11.3077 11.3077 11.3157 11.3157 16.5257 16.5257 16.5293 16.5293 k = 0.1321 0.0763 0.3187 ( 1714 PWs) bands (ev): -3.7495 -3.7495 -3.7488 -3.7488 5.5729 5.5729 5.5730 5.5730 6.8633 6.8633 6.8647 6.8647 6.8816 6.8816 6.8827 6.8827 8.7445 8.7445 8.7487 8.7487 8.8646 8.8646 8.8782 8.8782 9.5383 9.5383 9.5599 9.5599 10.8543 10.8543 10.8732 10.8732 11.2908 11.2908 11.2993 11.2993 16.5229 16.5229 16.5265 16.5265 k = 0.1415 0.0817 0.3187 ( 1718 PWs) bands (ev): -3.7260 -3.7260 -3.7252 -3.7252 5.5304 5.5304 5.5306 5.5306 6.8578 6.8578 6.8599 6.8599 6.8768 6.8768 6.8772 6.8772 8.7334 8.7334 8.7376 8.7376 8.8680 8.8680 8.8823 8.8823 9.5606 9.5606 9.5845 9.5845 10.7964 10.7964 10.8176 10.8176 11.2729 11.2729 11.2819 11.2819 16.5007 16.5007 16.5044 16.5044 k = 0.1509 0.0871 0.3187 ( 1718 PWs) bands (ev): -3.7011 -3.7011 -3.7003 -3.7003 5.4850 5.4850 5.4852 5.4852 6.8522 6.8522 6.8552 6.8552 6.8716 6.8716 6.8721 6.8721 8.7218 8.7218 8.7261 8.7261 8.8719 8.8719 8.8869 8.8869 9.5827 9.5827 9.6092 9.6092 10.7401 10.7401 10.7637 10.7637 11.2542 11.2542 11.2636 11.2636 16.4615 16.4615 16.4652 16.4652 k = 0.1604 0.0926 0.3187 ( 1718 PWs) bands (ev): -3.6749 -3.6749 -3.6740 -3.6740 5.4367 5.4367 5.4370 5.4370 6.8462 6.8462 6.8501 6.8501 6.8664 6.8664 6.8678 6.8678 8.7098 8.7098 8.7141 8.7141 8.8763 8.8763 8.8919 8.8919 9.6043 9.6043 9.6336 9.6336 10.6861 10.6861 10.7125 10.7125 11.2346 11.2346 11.2444 11.2444 16.4088 16.4088 16.4125 16.4125 k = 0.1698 0.0980 0.3187 ( 1714 PWs) bands (ev): -3.6473 -3.6473 -3.6464 -3.6464 5.3858 5.3858 5.3861 5.3861 6.8397 6.8397 6.8444 6.8444 6.8616 6.8616 6.8640 6.8640 8.6975 8.6975 8.7018 8.7018 8.8814 8.8814 8.8975 8.8975 9.6249 9.6249 9.6572 9.6572 10.6352 10.6352 10.6645 10.6645 11.2143 11.2143 11.2244 11.2244 16.3459 16.3459 16.3496 16.3496 k = 0.1792 0.1035 0.3187 ( 1722 PWs) bands (ev): -3.6186 -3.6186 -3.6176 -3.6176 5.3323 5.3323 5.3326 5.3326 6.8326 6.8326 6.8380 6.8380 6.8573 6.8573 6.8604 6.8604 8.6849 8.6849 8.6892 8.6892 8.8869 8.8869 8.9035 8.9035 9.6439 9.6439 9.6794 9.6794 10.5881 10.5881 10.6205 10.6205 11.1931 11.1931 11.2037 11.2037 16.2758 16.2758 16.2796 16.2796 k = 0.1887 0.1089 0.3187 ( 1722 PWs) bands (ev): -3.5887 -3.5887 -3.5877 -3.5877 5.2764 5.2764 5.2768 5.2768 6.8250 6.8250 6.8309 6.8309 6.8537 6.8537 6.8572 6.8572 8.6722 8.6722 8.6765 8.6765 8.8931 8.8931 8.9100 8.9100 9.6608 9.6608 9.6997 9.6997 10.5457 10.5457 10.5813 10.5813 11.1714 11.1714 11.1822 11.1822 16.2008 16.2008 16.2045 16.2045 k = 0.1981 0.1144 0.3187 ( 1724 PWs) bands (ev): -3.5577 -3.5577 -3.5567 -3.5567 5.2183 5.2183 5.2188 5.2188 6.8170 6.8170 6.8230 6.8230 6.8504 6.8504 6.8542 6.8542 8.6594 8.6594 8.6637 8.6637 8.8999 8.8999 8.9172 8.9172 9.6751 9.6751 9.7173 9.7173 10.5088 10.5088 10.5477 10.5477 11.1489 11.1489 11.1601 11.1601 16.1225 16.1225 16.1261 16.1261 k = 0.2075 0.1198 0.3187 ( 1720 PWs) bands (ev): -3.5256 -3.5256 -3.5246 -3.5246 5.1582 5.1582 5.1587 5.1587 6.8086 6.8086 6.8147 6.8147 6.8473 6.8473 6.8512 6.8512 8.6468 8.6468 8.6511 8.6511 8.9073 8.9073 8.9249 8.9249 9.6861 9.6861 9.7316 9.7316 10.4783 10.4783 10.5204 10.5204 11.1260 11.1260 11.1374 11.1374 16.0420 16.0420 16.0456 16.0456 k = 0.2170 0.1253 0.3187 ( 1720 PWs) bands (ev): -3.4926 -3.4926 -3.4916 -3.4916 5.0962 5.0962 5.0968 5.0968 6.7999 6.7999 6.8060 6.8060 6.8442 6.8442 6.8483 6.8483 8.6344 8.6344 8.6387 8.6387 8.9154 8.9154 8.9332 8.9332 9.6934 9.6934 9.7416 9.7416 10.4549 10.4549 10.4997 10.4997 11.1025 11.1025 11.1142 11.1142 15.9603 15.9603 15.9639 15.9639 k = 0.2264 0.1307 0.3187 ( 1716 PWs) bands (ev): -3.4588 -3.4588 -3.4577 -3.4577 5.0327 5.0327 5.0334 5.0334 6.7908 6.7908 6.7970 6.7970 6.8410 6.8410 6.8451 6.8451 8.6224 8.6224 8.6268 8.6268 8.9242 8.9242 8.9422 8.9422 9.6966 9.6966 9.7468 9.7468 10.4393 10.4393 10.4861 10.4861 11.0787 11.0787 11.0905 11.0905 15.8781 15.8781 15.8816 15.8816 k = 0.2358 0.1362 0.3187 ( 1716 PWs) bands (ev): -3.4241 -3.4241 -3.4230 -3.4230 4.9678 4.9678 4.9685 4.9685 6.7816 6.7816 6.7876 6.7876 6.8376 6.8376 6.8417 6.8417 8.6110 8.6110 8.6153 8.6153 8.9336 8.9336 8.9517 8.9517 9.6957 9.6957 9.7471 9.7471 10.4316 10.4316 10.4796 10.4796 11.0544 11.0544 11.0664 11.0664 15.7957 15.7957 15.7992 15.7992 k = 0.2453 0.1416 0.3187 ( 1714 PWs) bands (ev): -3.3888 -3.3888 -3.3877 -3.3877 4.9017 4.9017 4.9025 4.9025 6.7721 6.7721 6.7781 6.7781 6.8338 6.8338 6.8380 6.8380 8.6002 8.6002 8.6046 8.6046 8.9436 8.9436 8.9617 8.9617 9.6907 9.6907 9.7425 9.7425 10.4318 10.4318 10.4801 10.4801 11.0298 11.0298 11.0420 11.0420 15.7137 15.7137 15.7171 15.7171 k = 0.2547 0.1471 0.3187 ( 1714 PWs) bands (ev): -3.3529 -3.3529 -3.3518 -3.3518 4.8347 4.8347 4.8355 4.8355 6.7625 6.7625 6.7684 6.7684 6.8297 6.8297 6.8339 6.8339 8.5901 8.5901 8.5946 8.5946 8.9542 8.9542 8.9723 8.9723 9.6821 9.6821 9.7334 9.7334 10.4392 10.4392 10.4871 10.4871 11.0049 11.0049 11.0172 11.0172 15.6322 15.6322 15.6356 15.6356 k = 0.2642 0.1525 0.3187 ( 1712 PWs) bands (ev): -3.3166 -3.3166 -3.3154 -3.3154 4.7670 4.7670 4.7679 4.7679 6.7528 6.7528 6.7586 6.7586 6.8252 6.8252 6.8293 6.8293 8.5810 8.5810 8.5855 8.5855 8.9654 8.9654 8.9835 8.9835 9.6705 9.6705 9.7206 9.7206 10.4532 10.4532 10.4998 10.4998 10.9799 10.9799 10.9923 10.9923 15.5516 15.5516 15.5549 15.5549 k = 0.2736 0.1580 0.3187 ( 1708 PWs) bands (ev): -3.2798 -3.2798 -3.2786 -3.2786 4.6989 4.6989 4.6998 4.6998 6.7431 6.7431 6.7487 6.7487 6.8201 6.8201 6.8242 6.8242 8.5729 8.5729 8.5774 8.5774 8.9773 8.9773 8.9952 8.9952 9.6564 9.6564 9.7047 9.7047 10.4728 10.4728 10.5177 10.5177 10.9547 10.9547 10.9672 10.9672 15.4720 15.4720 15.4752 15.4752 k = 0.2830 0.1634 0.3187 ( 1712 PWs) bands (ev): -3.2428 -3.2428 -3.2417 -3.2417 4.6306 4.6306 4.6316 4.6316 6.7333 6.7333 6.7388 6.7388 6.8146 6.8146 6.8186 6.8186 8.5656 8.5656 8.5702 8.5702 8.9895 8.9895 9.0072 9.0072 9.6405 9.6405 9.6868 9.6868 10.4969 10.4969 10.5397 10.5397 10.9296 10.9296 10.9420 10.9420 15.3935 15.3935 15.3967 15.3967 k = 0.2925 0.1688 0.3187 ( 1712 PWs) bands (ev): -3.2057 -3.2057 -3.2046 -3.2046 4.5624 4.5624 4.5635 4.5635 6.7236 6.7236 6.7289 6.7289 6.8085 6.8085 6.8124 6.8124 8.5596 8.5596 8.5642 8.5642 9.0022 9.0022 9.0197 9.0197 9.6234 9.6234 9.6674 9.6674 10.5247 10.5247 10.5653 10.5653 10.9045 10.9045 10.9168 10.9168 15.3163 15.3163 15.3194 15.3194 k = 0.3019 0.1743 0.3187 ( 1712 PWs) bands (ev): -3.1687 -3.1687 -3.1675 -3.1675 4.4946 4.4946 4.4957 4.4957 6.7140 6.7140 6.7192 6.7192 6.8020 6.8020 6.8058 6.8058 8.5546 8.5546 8.5593 8.5593 9.0154 9.0154 9.0325 9.0325 9.6055 9.6055 9.6472 9.6472 10.5553 10.5553 10.5936 10.5936 10.8797 10.8797 10.8919 10.8919 15.2406 15.2406 15.2437 15.2437 k = 0.3113 0.1797 0.3187 ( 1716 PWs) bands (ev): -3.1317 -3.1317 -3.1305 -3.1305 4.4273 4.4273 4.4285 4.4285 6.7045 6.7045 6.7095 6.7095 6.7950 6.7950 6.7987 6.7987 8.5509 8.5509 8.5557 8.5557 9.0288 9.0288 9.0456 9.0456 9.5873 9.5873 9.6267 9.6267 10.5881 10.5881 10.6239 10.6239 10.8552 10.8552 10.8671 10.8671 15.1665 15.1665 15.1695 15.1695 k = 0.3208 0.1852 0.3187 ( 1720 PWs) bands (ev): -3.0951 -3.0951 -3.0939 -3.0939 4.3610 4.3610 4.3621 4.3621 6.6951 6.6951 6.6999 6.6999 6.7876 6.7876 6.7911 6.7911 8.5483 8.5483 8.5531 8.5531 9.0426 9.0426 9.0590 9.0590 9.5690 9.5690 9.6061 9.6061 10.6222 10.6222 10.6554 10.6554 10.8316 10.8316 10.8429 10.8429 15.0940 15.0940 15.0970 15.0970 k = 0.3302 0.1906 0.3187 ( 1720 PWs) bands (ev): -3.0589 -3.0589 -3.0578 -3.0578 4.2958 4.2958 4.2970 4.2970 6.6860 6.6860 6.6906 6.6906 6.7798 6.7798 6.7833 6.7833 8.5468 8.5468 8.5517 8.5517 9.0566 9.0566 9.0725 9.0725 9.5512 9.5512 9.5860 9.5860 10.6568 10.6568 10.6869 10.6869 10.8095 10.8095 10.8197 10.8197 15.0234 15.0234 15.0264 15.0264 k = 0.3396 0.1961 0.3187 ( 1720 PWs) bands (ev): -3.0233 -3.0233 -3.0222 -3.0222 4.2322 4.2322 4.2333 4.2333 6.6771 6.6771 6.6815 6.6815 6.7718 6.7718 6.7751 6.7751 8.5464 8.5464 8.5513 8.5513 9.0706 9.0706 9.0860 9.0860 9.5338 9.5338 9.5665 9.5665 10.6904 10.6904 10.7151 10.7151 10.7921 10.7921 10.7988 10.7988 14.9548 14.9548 14.9577 14.9577 k = 0.3491 0.2015 0.3187 ( 1724 PWs) bands (ev): -2.9885 -2.9885 -2.9874 -2.9874 4.1702 4.1702 4.1714 4.1714 6.6685 6.6685 6.6727 6.6727 6.7636 6.7636 6.7667 6.7667 8.5470 8.5470 8.5519 8.5519 9.0847 9.0847 9.0995 9.0995 9.5171 9.5171 9.5476 9.5476 10.7175 10.7175 10.7283 10.7283 10.7851 10.7851 10.7906 10.7906 14.8883 14.8883 14.8912 14.8912 k = 0.3585 0.2070 0.3187 ( 1730 PWs) bands (ev): -2.9546 -2.9546 -2.9535 -2.9535 4.1102 4.1102 4.1114 4.1114 6.6602 6.6602 6.6642 6.6642 6.7552 6.7552 6.7582 6.7582 8.5483 8.5483 8.5533 8.5533 9.0988 9.0988 9.1128 9.1128 9.5012 9.5012 9.5295 9.5295 10.7187 10.7187 10.7231 10.7231 10.7934 10.7934 10.8125 10.8125 14.8241 14.8241 14.8269 14.8269 k = 0.3679 0.2124 0.3187 ( 1734 PWs) bands (ev): -2.9218 -2.9218 -2.9208 -2.9208 4.0526 4.0526 4.0537 4.0537 6.6523 6.6523 6.6560 6.6560 6.7469 6.7469 6.7496 6.7496 8.5506 8.5506 8.5555 8.5555 9.1126 9.1126 9.1259 9.1259 9.4861 9.4861 9.5124 9.5124 10.7006 10.7006 10.7094 10.7094 10.8216 10.8216 10.8435 10.8435 14.7624 14.7624 14.7651 14.7651 k = 0.3774 0.2179 0.3187 ( 1730 PWs) bands (ev): -2.8903 -2.8903 -2.8893 -2.8893 3.9974 3.9974 3.9985 3.9985 6.6448 6.6448 6.6483 6.6483 6.7386 6.7386 6.7412 6.7412 8.5536 8.5536 8.5585 8.5585 9.1263 9.1263 9.1388 9.1388 9.4722 9.4722 9.4964 9.4964 10.6809 10.6809 10.6905 10.6905 10.8550 10.8550 10.8764 10.8764 14.7034 14.7034 14.7060 14.7060 k = 0.3868 0.2233 0.3187 ( 1722 PWs) bands (ev): -2.8602 -2.8602 -2.8593 -2.8593 3.9452 3.9452 3.9462 3.9462 6.6377 6.6377 6.6410 6.6410 6.7306 6.7306 6.7330 6.7330 8.5571 8.5571 8.5619 8.5619 9.1396 9.1396 9.1512 9.1512 9.4594 9.4594 9.4815 9.4815 10.6612 10.6612 10.6708 10.6708 10.8893 10.8893 10.9094 10.9094 14.6473 14.6473 14.6498 14.6498 k = 0.3962 0.2288 0.3187 ( 1722 PWs) bands (ev): -2.8317 -2.8317 -2.8309 -2.8309 3.8959 3.8959 3.8969 3.8969 6.6311 6.6311 6.6341 6.6341 6.7228 6.7228 6.7250 6.7250 8.5611 8.5611 8.5657 8.5657 9.1522 9.1522 9.1629 9.1629 9.4476 9.4476 9.4676 9.4676 10.6421 10.6421 10.6514 10.6514 10.9229 10.9229 10.9415 10.9415 14.5943 14.5943 14.5967 14.5967 k = 0.4057 0.2342 0.3187 ( 1730 PWs) bands (ev): -2.8050 -2.8050 -2.8042 -2.8042 3.8500 3.8500 3.8509 3.8509 6.6250 6.6250 6.6277 6.6277 6.7153 6.7153 6.7173 6.7173 8.5652 8.5652 8.5697 8.5697 9.1640 9.1640 9.1736 9.1736 9.4369 9.4369 9.4549 9.4549 10.6240 10.6240 10.6328 10.6328 10.9553 10.9553 10.9723 10.9723 14.5446 14.5446 14.5469 14.5469 k = 0.4151 0.2397 0.3187 ( 1730 PWs) bands (ev): -2.7803 -2.7803 -2.7796 -2.7796 3.8076 3.8076 3.8085 3.8085 6.6193 6.6193 6.6218 6.6218 6.7083 6.7083 6.7101 6.7101 8.5696 8.5696 8.5739 8.5739 9.1752 9.1752 9.1837 9.1837 9.4275 9.4275 9.4434 9.4434 10.6071 10.6071 10.6153 10.6153 10.9861 10.9861 11.0015 11.0015 14.4986 14.4986 14.5008 14.5008 k = 0.4245 0.2451 0.3187 ( 1732 PWs) bands (ev): -2.7577 -2.7577 -2.7570 -2.7570 3.7691 3.7691 3.7699 3.7699 6.6143 6.6143 6.6165 6.6165 6.7018 6.7018 6.7034 6.7034 8.5740 8.5740 8.5779 8.5779 9.1854 9.1854 9.1928 9.1928 9.4193 9.4193 9.4332 9.4332 10.5915 10.5915 10.5991 10.5991 11.0148 11.0148 11.0285 11.0285 14.4565 14.4565 14.4585 14.4585 k = 0.4340 0.2505 0.3187 ( 1732 PWs) bands (ev): -2.7373 -2.7373 -2.7367 -2.7367 3.7345 3.7345 3.7352 3.7352 6.6098 6.6098 6.6117 6.6117 6.6959 6.6959 6.6973 6.6973 8.5783 8.5783 8.5819 8.5819 9.1947 9.1947 9.2009 9.2009 9.4123 9.4123 9.4242 9.4242 10.5775 10.5775 10.5843 10.5843 11.0412 11.0412 11.0533 11.0533 14.4186 14.4186 14.4204 14.4204 k = 0.4434 0.2560 0.3187 ( 1730 PWs) bands (ev): -2.7193 -2.7193 -2.7188 -2.7188 3.7042 3.7042 3.7048 3.7048 6.6058 6.6058 6.6075 6.6075 6.6907 6.6907 6.6919 6.6919 8.5824 8.5824 8.5856 8.5856 9.2027 9.2027 9.2079 9.2079 9.4066 9.4066 9.4165 9.4165 10.5650 10.5650 10.5710 10.5710 11.0649 11.0649 11.0753 11.0753 14.3850 14.3850 14.3866 14.3866 k = 0.4528 0.2614 0.3187 ( 1734 PWs) bands (ev): -2.7039 -2.7039 -2.7035 -2.7035 3.6782 3.6782 3.6787 3.6787 6.6025 6.6025 6.6039 6.6039 6.6861 6.6861 6.6872 6.6872 8.5860 8.5860 8.5888 8.5888 9.2095 9.2095 9.2136 9.2136 9.4021 9.4021 9.4100 9.4100 10.5544 10.5544 10.5595 10.5595 11.0857 11.0857 11.0943 11.0943 14.3562 14.3562 14.3576 14.3576 k = 0.4623 0.2669 0.3187 ( 1738 PWs) bands (ev): -2.6911 -2.6911 -2.6907 -2.6907 3.6567 3.6567 3.6571 3.6571 6.5997 6.5997 6.6009 6.6009 6.6824 6.6824 6.6832 6.6832 8.5893 8.5893 8.5916 8.5916 9.2151 9.2151 9.2182 9.2182 9.3985 9.3985 9.4047 9.4047 10.5456 10.5456 10.5497 10.5497 11.1032 11.1032 11.1101 11.1101 14.3323 14.3323 14.3334 14.3334 k = 0.4717 0.2723 0.3187 ( 1734 PWs) bands (ev): -2.6810 -2.6810 -2.6808 -2.6808 3.6399 3.6399 3.6402 3.6402 6.5977 6.5977 6.5985 6.5985 6.6795 6.6795 6.6801 6.6801 8.5920 8.5920 8.5937 8.5937 9.2196 9.2196 9.2218 9.2218 9.3961 9.3961 9.4006 9.4006 10.5388 10.5388 10.5419 10.5419 11.1173 11.1173 11.1225 11.1225 14.3134 14.3134 14.3143 14.3143 k = 0.4811 0.2778 0.3187 ( 1728 PWs) bands (ev): -2.6738 -2.6738 -2.6736 -2.6736 3.6278 3.6278 3.6280 3.6280 6.5962 6.5962 6.5968 6.5968 6.6774 6.6774 6.6778 6.6778 8.5941 8.5941 8.5953 8.5953 9.2228 9.2228 9.2242 9.2242 9.3947 9.3947 9.3976 9.3976 10.5340 10.5340 10.5361 10.5361 11.1277 11.1277 11.1312 11.1312 14.2999 14.2999 14.3005 14.3005 k = 0.4906 0.2832 0.3187 ( 1724 PWs) bands (ev): -2.6694 -2.6694 -2.6693 -2.6693 3.6206 3.6206 3.6207 3.6207 6.5954 6.5954 6.5957 6.5957 6.6762 6.6762 6.6764 6.6764 8.5955 8.5955 8.5961 8.5961 9.2249 9.2249 9.2256 9.2256 9.3942 9.3942 9.3956 9.3956 10.5314 10.5314 10.5324 10.5324 11.1344 11.1344 11.1361 11.1361 14.2918 14.2918 14.2921 14.2921 k = 0.5000 0.2887 0.3187 ( 1720 PWs) bands (ev): -2.6678 -2.6678 -2.6678 -2.6678 3.6182 3.6182 3.6182 3.6182 6.5952 6.5952 6.5952 6.5952 6.6759 6.6759 6.6759 6.6759 8.5962 8.5962 8.5962 8.5962 9.2258 9.2258 9.2258 9.2258 9.3945 9.3945 9.3945 9.3945 10.5308 10.5308 10.5308 10.5308 11.1373 11.1373 11.1373 11.1373 14.2892 14.2892 14.2892 14.2892 k = 0.5000 0.2887 0.3187 ( 1720 PWs) bands (ev): -2.6678 -2.6678 -2.6678 -2.6678 3.6182 3.6182 3.6182 3.6182 6.5952 6.5952 6.5952 6.5952 6.6759 6.6759 6.6759 6.6759 8.5962 8.5962 8.5962 8.5962 9.2258 9.2258 9.2258 9.2258 9.3945 9.3945 9.3945 9.3945 10.5308 10.5308 10.5308 10.5308 11.1373 11.1373 11.1373 11.1373 14.2892 14.2892 14.2892 14.2892 k = 0.4946 0.2980 0.3187 ( 1720 PWs) bands (ev): -2.6676 -2.6676 -2.6673 -2.6673 3.6191 3.6191 3.6195 3.6195 6.5849 6.5849 6.5927 6.5927 6.6756 6.6756 6.6819 6.6819 8.5956 8.5956 8.5984 8.5984 9.2231 9.2231 9.2285 9.2285 9.3922 9.3922 9.3958 9.3958 10.5225 10.5225 10.5246 10.5246 11.1442 11.1442 11.1453 11.1453 14.2932 14.2932 14.2939 14.2939 k = 0.4892 0.3073 0.3187 ( 1728 PWs) bands (ev): -2.6667 -2.6667 -2.6661 -2.6661 3.6223 3.6223 3.6231 3.6231 6.5651 6.5651 6.5778 6.5778 6.6806 6.6806 6.6902 6.6902 8.5964 8.5964 8.6020 8.6020 9.2203 9.2203 9.2312 9.2312 9.3890 9.3890 9.3961 9.3961 10.5006 10.5006 10.5047 10.5047 11.1650 11.1650 11.1670 11.1670 14.3058 14.3058 14.3072 14.3072 k = 0.4839 0.3166 0.3187 ( 1728 PWs) bands (ev): -2.6650 -2.6650 -2.6641 -2.6641 3.6277 3.6277 3.6289 3.6289 6.5383 6.5383 6.5539 6.5539 6.6875 6.6875 6.6985 6.6985 8.5987 8.5987 8.6070 8.6070 9.2177 9.2177 9.2340 9.2340 9.3848 9.3848 9.3955 9.3955 10.4683 10.4683 10.4742 10.4742 11.1968 11.1968 11.1995 11.1995 14.3269 14.3269 14.3289 14.3289 k = 0.4785 0.3259 0.3187 ( 1728 PWs) bands (ev): -2.6626 -2.6626 -2.6614 -2.6614 3.6354 3.6354 3.6369 3.6369 6.5059 6.5059 6.5233 6.5233 6.6943 6.6943 6.7057 6.7057 8.6025 8.6025 8.6134 8.6134 9.2152 9.2152 9.2370 9.2370 9.3797 9.3797 9.3940 9.3940 10.4287 10.4287 10.4362 10.4362 11.2363 11.2363 11.2397 11.2397 14.3563 14.3563 14.3590 14.3590 k = 0.4731 0.3352 0.3187 ( 1728 PWs) bands (ev): -2.6595 -2.6595 -2.6580 -2.6580 3.6453 3.6453 3.6472 3.6472 6.4682 6.4682 6.4869 6.4869 6.7001 6.7001 6.7115 6.7115 8.6077 8.6077 8.6209 8.6209 9.2127 9.2127 9.2401 9.2401 9.3737 9.3737 9.3917 9.3917 10.3847 10.3847 10.3938 10.3938 11.2807 11.2807 11.2846 11.2846 14.3936 14.3936 14.3970 14.3970 k = 0.4677 0.3445 0.3187 ( 1724 PWs) bands (ev): -2.6557 -2.6557 -2.6539 -2.6539 3.6575 3.6575 3.6598 3.6598 6.4256 6.4256 6.4454 6.4454 6.7047 6.7047 6.7159 6.7159 8.6142 8.6142 8.6296 8.6296 9.2103 9.2103 9.2433 9.2433 9.3668 9.3668 9.3885 9.3885 10.3385 10.3385 10.3492 10.3492 11.3277 11.3277 11.3322 11.3322 14.4384 14.4384 14.4426 14.4426 k = 0.4624 0.3539 0.3187 ( 1728 PWs) bands (ev): -2.6513 -2.6513 -2.6492 -2.6492 3.6718 3.6718 3.6745 3.6745 6.3782 6.3782 6.3988 6.3988 6.7079 6.7079 6.7189 6.7189 8.6219 8.6219 8.6392 8.6392 9.2079 9.2079 9.2466 9.2466 9.3592 9.3592 9.3846 9.3846 10.2914 10.2914 10.3038 10.3038 11.3758 11.3758 11.3808 11.3808 14.4903 14.4903 14.4953 14.4953 k = 0.4570 0.3632 0.3187 ( 1728 PWs) bands (ev): -2.6463 -2.6463 -2.6439 -2.6439 3.6884 3.6884 3.6914 3.6914 6.3262 6.3262 6.3475 6.3475 6.7101 6.7101 6.7209 6.7209 8.6306 8.6306 8.6496 8.6496 9.2055 9.2055 9.2501 9.2501 9.3508 9.3508 9.3802 9.3802 10.2448 10.2448 10.2589 10.2589 11.4240 11.4240 11.4295 11.4295 14.5488 14.5488 14.5545 14.5545 k = 0.4516 0.3725 0.3187 ( 1724 PWs) bands (ev): -2.6406 -2.6406 -2.6379 -2.6379 3.7071 3.7071 3.7106 3.7106 6.2699 6.2699 6.2917 6.2917 6.7113 6.7113 6.7218 6.7218 8.6402 8.6402 8.6606 8.6606 9.2031 9.2031 9.2537 9.2537 9.3420 9.3420 9.3753 9.3753 10.1993 10.1993 10.2154 10.2154 11.4713 11.4713 11.4775 11.4775 14.6132 14.6132 14.6196 14.6196 k = 0.4462 0.3818 0.3187 ( 1726 PWs) bands (ev): -2.6344 -2.6344 -2.6315 -2.6315 3.7281 3.7281 3.7319 3.7319 6.2094 6.2094 6.2317 6.2317 6.7116 6.7116 6.7219 6.7219 8.6506 8.6506 8.6721 8.6721 9.2006 9.2006 9.2571 9.2571 9.3329 9.3329 9.3703 9.3703 10.1555 10.1555 10.1737 10.1737 11.5174 11.5174 11.5242 11.5242 14.6828 14.6828 14.6900 14.6900 k = 0.4409 0.3911 0.3187 ( 1726 PWs) bands (ev): -2.6277 -2.6277 -2.6245 -2.6245 3.7512 3.7512 3.7553 3.7553 6.1451 6.1451 6.1678 6.1678 6.7112 6.7112 6.7213 6.7213 8.6616 8.6616 8.6840 8.6840 9.1979 9.1979 9.2600 9.2600 9.3242 9.3242 9.3653 9.3653 10.1136 10.1136 10.1341 10.1341 11.5619 11.5619 11.5694 11.5694 14.7569 14.7569 14.7651 14.7651 k = 0.4355 0.4004 0.3187 ( 1726 PWs) bands (ev): -2.6206 -2.6206 -2.6171 -2.6171 3.7764 3.7764 3.7809 3.7809 6.0774 6.0774 6.1004 6.1004 6.7101 6.7101 6.7201 6.7201 8.6731 8.6731 8.6961 8.6961 9.1947 9.1947 9.2614 9.2614 9.3169 9.3169 9.3608 9.3608 10.0739 10.0739 10.0968 10.0968 11.6046 11.6046 11.6127 11.6127 14.8349 14.8349 14.8439 14.8439 k = 0.4301 0.4097 0.3187 ( 1730 PWs) bands (ev): -2.6130 -2.6130 -2.6093 -2.6093 3.8037 3.8037 3.8086 3.8086 6.0066 6.0066 6.0298 6.0298 6.7086 6.7086 6.7184 6.7184 8.6850 8.6850 8.7084 8.7084 9.1909 9.1909 9.2600 9.2600 9.3124 9.3124 9.3570 9.3570 10.0364 10.0364 10.0620 10.0620 11.6454 11.6454 11.6541 11.6541 14.9160 14.9160 14.9260 14.9260 k = 0.4247 0.4190 0.3187 ( 1730 PWs) bands (ev): -2.6051 -2.6051 -2.6011 -2.6011 3.8331 3.8331 3.8383 3.8383 5.9332 5.9332 5.9564 5.9564 6.7066 6.7066 6.7163 6.7163 8.6972 8.6972 8.7206 8.7206 9.1863 9.1863 9.2547 9.2547 9.3121 9.3121 9.3545 9.3545 10.0011 10.0011 10.0296 10.0296 11.6841 11.6841 11.6935 11.6935 14.9996 14.9996 15.0105 15.0105 k = 0.4194 0.4284 0.3187 ( 1722 PWs) bands (ev): -2.5969 -2.5969 -2.5927 -2.5927 3.8645 3.8645 3.8701 3.8701 5.8574 5.8574 5.8807 5.8807 6.7044 6.7044 6.7139 6.7139 8.7096 8.7096 8.7328 8.7328 9.1808 9.1808 9.2460 9.2460 9.3156 9.3156 9.3535 9.3535 9.9681 9.9681 9.9996 9.9996 11.7209 11.7209 11.7309 11.7309 15.0849 15.0849 15.0969 15.0969 k = 0.4140 0.4377 0.3187 ( 1722 PWs) bands (ev): -2.5886 -2.5886 -2.5841 -2.5841 3.8980 3.8980 3.9038 3.9038 5.7798 5.7798 5.8031 5.8031 6.7018 6.7018 6.7113 6.7113 8.7220 8.7220 8.7449 8.7449 9.1741 9.1741 9.2348 9.2348 9.3218 9.3218 9.3543 9.3543 9.9370 9.9370 9.9718 9.9718 11.7557 11.7557 11.7662 11.7662 15.1713 15.1713 15.1845 15.1845 k = 0.4086 0.4470 0.3187 ( 1726 PWs) bands (ev): -2.5801 -2.5801 -2.5754 -2.5754 3.9334 3.9334 3.9395 3.9395 5.7007 5.7007 5.7239 5.7239 6.6990 6.6990 6.7084 6.7084 8.7345 8.7345 8.7567 8.7567 9.1661 9.1661 9.2223 9.2223 9.3296 9.3296 9.3572 9.3572 9.9078 9.9078 9.9461 9.9461 11.7884 11.7884 11.7995 11.7995 15.2584 15.2584 15.2728 15.2728 k = 0.4032 0.4563 0.3187 ( 1726 PWs) bands (ev): -2.5715 -2.5715 -2.5666 -2.5666 3.9707 3.9707 3.9772 3.9772 5.6206 5.6206 5.6438 5.6438 6.6962 6.6962 6.7055 6.7055 8.7468 8.7468 8.7683 8.7683 9.1571 9.1571 9.2089 9.2089 9.3384 9.3384 9.3623 9.3623 9.8804 9.8804 9.9223 9.9223 11.8193 11.8193 11.8308 11.8308 15.3456 15.3456 15.3612 15.3612 k = 0.3978 0.4656 0.3187 ( 1722 PWs) bands (ev): -2.5629 -2.5629 -2.5578 -2.5578 4.0099 4.0099 4.0166 4.0166 5.5399 5.5399 5.5631 5.5631 6.6933 6.6933 6.7025 6.7025 8.7591 8.7591 8.7798 8.7798 9.1470 9.1470 9.1952 9.1952 9.3478 9.3478 9.3698 9.3698 9.8546 9.8546 9.9005 9.9005 11.8481 11.8481 11.8602 11.8602 15.4324 15.4324 15.4495 15.4495 k = 0.3925 0.4749 0.3187 ( 1722 PWs) bands (ev): -2.5545 -2.5545 -2.5492 -2.5492 4.0509 4.0509 4.0578 4.0578 5.4591 5.4591 5.4821 5.4821 6.6903 6.6903 6.6995 6.6995 8.7712 8.7712 8.7909 8.7909 9.1361 9.1361 9.1814 9.1814 9.3574 9.3574 9.3796 9.3796 9.8302 9.8302 9.8803 9.8803 11.8751 11.8751 11.8876 11.8876 15.5186 15.5186 15.5372 15.5372 k = 0.3871 0.4842 0.3187 ( 1726 PWs) bands (ev): -2.5463 -2.5463 -2.5408 -2.5408 4.0936 4.0936 4.1007 4.1007 5.3786 5.3786 5.4015 5.4015 6.6874 6.6874 6.6966 6.6966 8.7830 8.7830 8.8017 8.8017 9.1246 9.1246 9.1676 9.1676 9.3670 9.3670 9.3912 9.3912 9.8070 9.8070 9.8616 9.8616 11.9000 11.9000 11.9129 11.9129 15.6036 15.6036 15.6240 15.6240 k = 0.3817 0.4935 0.3187 ( 1722 PWs) bands (ev): -2.5383 -2.5383 -2.5327 -2.5327 4.1380 4.1380 4.1452 4.1452 5.2988 5.2988 5.3217 5.3217 6.6847 6.6847 6.6937 6.6937 8.7946 8.7946 8.8122 8.8122 9.1127 9.1127 9.1542 9.1542 9.3769 9.3769 9.4044 9.4044 9.7851 9.7851 9.8445 9.8445 11.9230 11.9230 11.9363 11.9363 15.6873 15.6873 15.7096 15.7096 k = 0.3763 0.5029 0.3187 ( 1718 PWs) bands (ev): -2.5308 -2.5308 -2.5250 -2.5250 4.1838 4.1838 4.1911 4.1911 5.2201 5.2201 5.2430 5.2430 6.6820 6.6820 6.6911 6.6911 8.8058 8.8058 8.8224 8.8224 9.1008 9.1008 9.1411 9.1411 9.3870 9.3870 9.4187 9.4187 9.7641 9.7641 9.8288 9.8288 11.9440 11.9440 11.9575 11.9575 15.7693 15.7693 15.7938 15.7938 k = 0.3710 0.5122 0.3187 ( 1718 PWs) bands (ev): -2.5238 -2.5238 -2.5178 -2.5178 4.2310 4.2310 4.2382 4.2382 5.1430 5.1430 5.1661 5.1661 6.6795 6.6795 6.6886 6.6886 8.8165 8.8165 8.8321 8.8321 9.0888 9.0888 9.1286 9.1286 9.3970 9.3970 9.4337 9.4337 9.7441 9.7441 9.8145 9.8145 11.9629 11.9629 11.9767 11.9767 15.8492 15.8492 15.8763 15.8763 k = 0.3656 0.5215 0.3187 ( 1718 PWs) bands (ev): -2.5173 -2.5173 -2.5113 -2.5113 4.2792 4.2792 4.2863 4.2863 5.0682 5.0682 5.0914 5.0914 6.6773 6.6773 6.6863 6.6863 8.8266 8.8266 8.8414 8.8414 9.0772 9.0772 9.1168 9.1168 9.4067 9.4067 9.4490 9.4490 9.7251 9.7251 9.8017 9.8017 11.9796 11.9796 11.9936 11.9936 15.9264 15.9264 15.9566 15.9566 k = 0.3602 0.5308 0.3187 ( 1722 PWs) bands (ev): -2.5116 -2.5116 -2.5055 -2.5055 4.3282 4.3282 4.3348 4.3348 4.9961 4.9961 5.0198 5.0198 6.6753 6.6753 6.6842 6.6842 8.8358 8.8358 8.8501 8.8501 9.0661 9.0661 9.1061 9.1061 9.4157 9.4157 9.4643 9.4643 9.7072 9.7072 9.7904 9.7904 11.9941 11.9941 12.0082 12.0082 16.0001 16.0001 16.0340 16.0340 k = 0.3548 0.5401 0.3187 ( 1718 PWs) bands (ev): -2.5067 -2.5067 -2.5005 -2.5005 4.3771 4.3771 4.3830 4.3830 4.9278 4.9278 4.9523 4.9523 6.6736 6.6736 6.6826 6.6826 8.8441 8.8441 8.8581 8.8581 9.0561 9.0561 9.0966 9.0966 9.4239 9.4239 9.4792 9.4792 9.6906 9.6906 9.7808 9.7808 12.0062 12.0062 12.0205 12.0205 16.0690 16.0690 16.1076 16.1076 k = 0.3495 0.5494 0.3187 ( 1716 PWs) bands (ev): -2.5027 -2.5027 -2.4964 -2.4964 4.4248 4.4248 4.4294 4.4294 4.8647 4.8647 4.8905 4.8905 6.6723 6.6723 6.6812 6.6812 8.8510 8.8510 8.8650 8.8650 9.0474 9.0474 9.0888 9.0888 9.4308 9.4308 9.4929 9.4929 9.6758 9.6758 9.7731 9.7731 12.0158 12.0158 12.0302 12.0302 16.1307 16.1307 16.1751 16.1751 k = 0.3441 0.5587 0.3187 ( 1708 PWs) bands (ev): -2.4997 -2.4997 -2.4933 -2.4933 4.4685 4.4685 4.4711 4.4711 4.8098 4.8098 4.8375 4.8375 6.6713 6.6713 6.6802 6.6802 8.8562 8.8562 8.8704 8.8704 9.0408 9.0408 9.0829 9.0829 9.4362 9.4362 9.5046 9.5046 9.6638 9.6638 9.7676 9.7676 12.0229 12.0229 12.0372 12.0372 16.1814 16.1814 16.2329 16.2329 k = 0.3387 0.5680 0.3187 ( 1708 PWs) bands (ev): -2.4978 -2.4978 -2.4915 -2.4915 4.5021 4.5021 4.5028 4.5028 4.7690 4.7690 4.7993 4.7993 6.6707 6.6707 6.6796 6.6796 8.8595 8.8595 8.8739 8.8739 9.0364 9.0364 9.0792 9.0792 9.4396 9.4396 9.5126 9.5126 9.6555 9.6555 9.7641 9.7641 12.0272 12.0272 12.0416 12.0416 16.2155 16.2155 16.2737 16.2737 k = 0.3333 0.5774 0.3187 ( 1704 PWs) bands (ev): -2.4972 -2.4972 -2.4908 -2.4908 4.5145 4.5145 4.5161 4.5161 4.7532 4.7532 4.7849 4.7849 6.6705 6.6705 6.6794 6.6794 8.8606 8.8606 8.8752 8.8752 9.0349 9.0349 9.0780 9.0780 9.4408 9.4408 9.5155 9.5155 9.6526 9.6526 9.7630 9.7630 12.0287 12.0287 12.0431 12.0431 16.2274 16.2274 16.2886 16.2886 k = 0.3333 0.5774 0.3187 ( 1704 PWs) bands (ev): -2.4972 -2.4972 -2.4908 -2.4908 4.5145 4.5145 4.5161 4.5161 4.7532 4.7532 4.7849 4.7849 6.6705 6.6705 6.6794 6.6794 8.8606 8.8606 8.8752 8.8752 9.0349 9.0349 9.0780 9.0780 9.4408 9.4408 9.5155 9.5155 9.6526 9.6526 9.7630 9.7630 12.0287 12.0287 12.0431 12.0431 16.2274 16.2274 16.2886 16.2886 k = 0.3279 0.5679 0.3187 ( 1708 PWs) bands (ev): -2.4979 -2.4979 -2.4915 -2.4915 4.5022 4.5022 4.5029 4.5029 4.7690 4.7690 4.7994 4.7994 6.6707 6.6707 6.6796 6.6796 8.8594 8.8594 8.8738 8.8738 9.0364 9.0364 9.0793 9.0793 9.4395 9.4395 9.5124 9.5124 9.6557 9.6557 9.7641 9.7641 12.0271 12.0271 12.0415 12.0415 16.2163 16.2163 16.2746 16.2746 k = 0.3224 0.5584 0.3187 ( 1710 PWs) bands (ev): -2.5000 -2.5000 -2.4937 -2.4937 4.4707 4.4707 4.4732 4.4732 4.8082 4.8082 4.8362 4.8362 6.6713 6.6713 6.6803 6.6803 8.8560 8.8560 8.8700 8.8700 9.0412 9.0412 9.0832 9.0832 9.4358 9.4358 9.5039 9.5039 9.6642 9.6642 9.7677 9.7677 12.0224 12.0224 12.0368 12.0368 16.1883 16.1883 16.2405 16.2405 k = 0.3169 0.5490 0.3187 ( 1714 PWs) bands (ev): -2.5037 -2.5037 -2.4974 -2.4974 4.4318 4.4318 4.4361 4.4361 4.8596 4.8596 4.8857 4.8857 6.6725 6.6725 6.6814 6.6814 8.8506 8.8506 8.8639 8.8639 9.0488 9.0488 9.0897 9.0897 9.4298 9.4298 9.4912 9.4912 9.6767 9.6767 9.7734 9.7734 12.0144 12.0144 12.0289 12.0289 16.1517 16.1517 16.1977 16.1977 k = 0.3115 0.5395 0.3187 ( 1718 PWs) bands (ev): -2.5090 -2.5090 -2.5028 -2.5028 4.3919 4.3919 4.3972 4.3972 4.9170 4.9170 4.9420 4.9420 6.6742 6.6742 6.6831 6.6831 8.8434 8.8434 8.8561 8.8561 9.0587 9.0587 9.0985 9.0985 9.4216 9.4216 9.4759 9.4759 9.6917 9.6917 9.7809 9.7809 12.0032 12.0032 12.0177 12.0177 16.1126 16.1126 16.1534 16.1534 k = 0.3060 0.5300 0.3187 ( 1710 PWs) bands (ev): -2.5160 -2.5160 -2.5099 -2.5099 4.3535 4.3535 4.3594 4.3594 4.9781 4.9781 5.0025 5.0025 6.6764 6.6764 6.6854 6.6854 8.8349 8.8349 8.8472 8.8472 9.0705 9.0705 9.1093 9.1093 9.4117 9.4117 9.4589 9.4589 9.7084 9.7084 9.7902 9.7902 11.9886 11.9886 12.0033 12.0033 16.0747 16.0747 16.1111 16.1111 k = 0.3005 0.5206 0.3187 ( 1722 PWs) bands (ev): -2.5248 -2.5248 -2.5188 -2.5188 4.3181 4.3181 4.3243 4.3243 5.0413 5.0413 5.0655 5.0655 6.6791 6.6791 6.6881 6.6881 8.8252 8.8252 8.8372 8.8372 9.0836 9.0836 9.1217 9.1217 9.3999 9.3999 9.4405 9.4405 9.7260 9.7260 9.8007 9.8007 11.9707 11.9707 11.9856 11.9856 16.0400 16.0400 16.0727 16.0727 k = 0.2951 0.5111 0.3187 ( 1722 PWs) bands (ev): -2.5354 -2.5354 -2.5295 -2.5295 4.2862 4.2862 4.2925 4.2925 5.1061 5.1061 5.1303 5.1303 6.6824 6.6824 6.6913 6.6913 8.8146 8.8146 8.8267 8.8267 9.0977 9.0977 9.1357 9.1357 9.3870 9.3870 9.4217 9.4217 9.7442 9.7442 9.8124 9.8124 11.9496 11.9496 11.9648 11.9648 16.0095 16.0095 16.0391 16.0391 k = 0.2896 0.5016 0.3187 ( 1710 PWs) bands (ev): -2.5478 -2.5478 -2.5420 -2.5420 4.2585 4.2585 4.2646 4.2646 5.1720 5.1720 5.1963 5.1963 6.6862 6.6862 6.6951 6.6951 8.8035 8.8035 8.8159 8.8159 9.1126 9.1126 9.1511 9.1511 9.3731 9.3731 9.4028 9.4028 9.7628 9.7628 9.8250 9.8250 11.9254 11.9254 11.9411 11.9411 15.9839 15.9839 16.0107 16.0107 k = 0.2842 0.4922 0.3187 ( 1714 PWs) bands (ev): -2.5621 -2.5621 -2.5564 -2.5564 4.2349 4.2349 4.2408 4.2408 5.2387 5.2387 5.2632 5.2632 6.6904 6.6904 6.6994 6.6994 8.7918 8.7918 8.8048 8.8048 9.1274 9.1274 9.1673 9.1673 9.3584 9.3584 9.3840 9.3840 9.7815 9.7815 9.8382 9.8382 11.8982 11.8982 11.9144 11.9144 15.9634 15.9634 15.9878 15.9878 k = 0.2787 0.4827 0.3187 ( 1718 PWs) bands (ev): -2.5782 -2.5782 -2.5727 -2.5727 4.2158 4.2158 4.2214 4.2214 5.3058 5.3058 5.3307 5.3307 6.6952 6.6952 6.7042 6.7042 8.7799 8.7799 8.7936 8.7936 9.1419 9.1419 9.1844 9.1844 9.3432 9.3432 9.3661 9.3661 9.8001 9.8001 9.8517 9.8517 11.8682 11.8682 11.8850 11.8850 15.9480 15.9480 15.9702 15.9702 k = 0.2732 0.4732 0.3187 ( 1724 PWs) bands (ev): -2.5962 -2.5962 -2.5909 -2.5909 4.2011 4.2011 4.2064 4.2064 5.3733 5.3733 5.3985 5.3985 6.7006 6.7006 6.7095 6.7095 8.7679 8.7679 8.7825 8.7825 9.1550 9.1550 9.2016 9.2016 9.3278 9.3278 9.3501 9.3501 9.8187 9.8187 9.8655 9.8655 11.8356 11.8356 11.8532 11.8532 15.9377 15.9377 15.9578 15.9578 k = 0.2678 0.4638 0.3187 ( 1724 PWs) bands (ev): -2.6160 -2.6160 -2.6109 -2.6109 4.1911 4.1911 4.1959 4.1959 5.4407 5.4407 5.4664 5.4664 6.7064 6.7064 6.7153 6.7153 8.7558 8.7558 8.7716 8.7716 9.1660 9.1660 9.2181 9.2181 9.3131 9.3131 9.3377 9.3377 9.8371 9.8371 9.8796 9.8796 11.8007 11.8007 11.8192 11.8192 15.9320 15.9320 15.9503 15.9503 k = 0.2623 0.4543 0.3187 ( 1724 PWs) bands (ev): -2.6377 -2.6377 -2.6327 -2.6327 4.1856 4.1856 4.1900 4.1900 5.5081 5.5081 5.5343 5.5343 6.7128 6.7128 6.7215 6.7215 8.7438 8.7438 8.7609 8.7609 9.1732 9.1732 9.2307 9.2307 9.3024 9.3024 9.3302 9.3302 9.8554 9.8554 9.8938 9.8938 11.7639 11.7639 11.7834 11.7834 15.9308 15.9308 15.9474 15.9474 k = 0.2568 0.4448 0.3187 ( 1722 PWs) bands (ev): -2.6611 -2.6611 -2.6563 -2.6563 4.1846 4.1846 4.1886 4.1886 5.5751 5.5751 5.6018 5.6018 6.7196 6.7196 6.7283 6.7283 8.7319 8.7319 8.7505 8.7505 9.1751 9.1751 9.2330 9.2330 9.3024 9.3024 9.3291 9.3291 9.8734 9.8734 9.9079 9.9079 11.7253 11.7253 11.7459 11.7459 15.9337 15.9337 15.9486 15.9486 k = 0.2514 0.4354 0.3187 ( 1722 PWs) bands (ev): -2.6862 -2.6862 -2.6816 -2.6816 4.1881 4.1881 4.1916 4.1916 5.6416 5.6416 5.6688 5.6688 6.7269 6.7269 6.7354 6.7354 8.7202 8.7202 8.7405 8.7405 9.1711 9.1711 9.2231 9.2231 9.3150 9.3150 9.3346 9.3346 9.8911 9.8911 9.9220 9.9220 11.6854 11.6854 11.7072 11.7072 15.9403 15.9403 15.9536 15.9536 k = 0.2459 0.4259 0.3187 ( 1722 PWs) bands (ev): -2.7129 -2.7129 -2.7085 -2.7085 4.1961 4.1961 4.1990 4.1990 5.7074 5.7074 5.7352 5.7352 6.7346 6.7346 6.7429 6.7429 8.7088 8.7088 8.7309 8.7309 9.1620 9.1620 9.2070 9.2070 9.3348 9.3348 9.3461 9.3461 9.9084 9.9084 9.9360 9.9360 11.6444 11.6444 11.6675 11.6675 15.9500 15.9500 15.9619 15.9619 k = 0.2404 0.4164 0.3187 ( 1722 PWs) bands (ev): -2.7412 -2.7412 -2.7370 -2.7370 4.2083 4.2083 4.2108 4.2108 5.7723 5.7723 5.8006 5.8006 6.7426 6.7426 6.7508 6.7508 8.6977 8.6977 8.7218 8.7218 9.1491 9.1491 9.1885 9.1885 9.3570 9.3570 9.3629 9.3629 9.9252 9.9252 9.9499 9.9499 11.6028 11.6028 11.6272 11.6272 15.9625 15.9625 15.9731 15.9731 k = 0.2350 0.4070 0.3187 ( 1718 PWs) bands (ev): -2.7709 -2.7709 -2.7669 -2.7669 4.2247 4.2247 4.2267 4.2267 5.8361 5.8361 5.8649 5.8649 6.7510 6.7510 6.7589 6.7589 8.6871 8.6871 8.7134 8.7134 9.1338 9.1338 9.1693 9.1693 9.3785 9.3785 9.3858 9.3858 9.9416 9.9416 9.9637 9.9637 11.5609 11.5609 11.5868 11.5868 15.9773 15.9773 15.9866 15.9866 k = 0.2295 0.3975 0.3187 ( 1718 PWs) bands (ev): -2.8019 -2.8019 -2.7982 -2.7982 4.2452 4.2452 4.2467 4.2467 5.8987 5.8987 5.9279 5.9279 6.7596 6.7596 6.7673 6.7673 8.6769 8.6769 8.7056 8.7056 9.1170 9.1170 9.1499 9.1499 9.4000 9.4000 9.4121 9.4121 9.9572 9.9572 9.9773 9.9773 11.5190 11.5190 11.5464 11.5464 15.9939 15.9939 16.0021 16.0021 k = 0.2240 0.3881 0.3187 ( 1718 PWs) bands (ev): -2.8343 -2.8343 -2.8307 -2.8307 4.2695 4.2695 4.2705 4.2705 5.9598 5.9598 5.9894 5.9894 6.7686 6.7686 6.7759 6.7759 8.6672 8.6672 8.6984 8.6984 9.0993 9.0993 9.1308 9.1308 9.4229 9.4229 9.4400 9.4400 9.9719 9.9719 9.9909 9.9909 11.4776 11.4776 11.5065 11.5065 16.0120 16.0120 16.0193 16.0193 k = 0.2186 0.3786 0.3187 ( 1718 PWs) bands (ev): -2.8677 -2.8677 -2.8643 -2.8643 4.2975 4.2975 4.2981 4.2981 6.0193 6.0193 6.0493 6.0493 6.7776 6.7776 6.7846 6.7846 8.6582 8.6582 8.6921 8.6921 9.0812 9.0812 9.1120 9.1120 9.4470 9.4470 9.4691 9.4691 9.9856 9.9856 10.0045 10.0045 11.4369 11.4369 11.4674 11.4674 16.0312 16.0312 16.0376 16.0376 k = 0.2131 0.3691 0.3187 ( 1718 PWs) bands (ev): -2.9021 -2.9021 -2.8989 -2.8989 4.3290 4.3290 4.3293 4.3293 6.0770 6.0770 6.1073 6.1073 6.7868 6.7868 6.7934 6.7934 8.6499 8.6499 8.6866 8.6866 9.0629 9.0629 9.0937 9.0937 9.4720 9.4720 9.4993 9.4993 9.9981 9.9981 10.0181 10.0181 11.3973 11.3973 11.4296 11.4296 16.0512 16.0512 16.0569 16.0569 k = 0.2077 0.3597 0.3187 ( 1722 PWs) bands (ev): -2.9375 -2.9375 -2.9345 -2.9345 4.3636 4.3636 4.3641 4.3641 6.1328 6.1328 6.1633 6.1633 6.7960 6.7960 6.8022 6.8022 8.6423 8.6423 8.6819 8.6819 9.0446 9.0446 9.0760 9.0760 9.4979 9.4979 9.5302 9.5302 10.0094 10.0094 10.0318 10.0318 11.3593 11.3593 11.3932 11.3932 16.0718 16.0718 16.0770 16.0770 k = 0.2022 0.3502 0.3187 ( 1726 PWs) bands (ev): -2.9735 -2.9735 -2.9707 -2.9707 4.4012 4.4012 4.4021 4.4021 6.1866 6.1866 6.2171 6.2171 6.8051 6.8051 6.8108 6.8108 8.6354 8.6354 8.6781 8.6781 9.0267 9.0267 9.0592 9.0592 9.5243 9.5243 9.5620 9.5620 10.0194 10.0194 10.0454 10.0454 11.3230 11.3230 11.3587 11.3587 16.0927 16.0927 16.0976 16.0976 k = 0.1967 0.3407 0.3187 ( 1726 PWs) bands (ev): -3.0102 -3.0102 -3.0076 -3.0076 4.4418 4.4418 4.4431 4.4431 6.2382 6.2382 6.2686 6.2686 6.8140 6.8140 6.8194 6.8194 8.6296 8.6296 8.6753 8.6753 9.0093 9.0093 9.0431 9.0431 9.5510 9.5510 9.5943 9.5943 10.0284 10.0284 10.0589 10.0589 11.2890 11.2890 11.3265 11.3265 16.1139 16.1139 16.1188 16.1188 k = 0.1913 0.3313 0.3187 ( 1718 PWs) bands (ev): -3.0474 -3.0474 -3.0449 -3.0449 4.4850 4.4850 4.4868 4.4868 6.2877 6.2877 6.3179 6.3179 6.8227 6.8227 6.8277 6.8277 8.6247 8.6247 8.6734 8.6734 8.9926 8.9926 9.0279 9.0279 9.5779 9.5779 9.6270 9.6270 10.0365 10.0365 10.0724 10.0724 11.2575 11.2575 11.2968 11.2968 16.1355 16.1355 16.1404 16.1404 k = 0.1858 0.3218 0.3187 ( 1714 PWs) bands (ev): -3.0850 -3.0850 -3.0827 -3.0827 4.5308 4.5308 4.5329 4.5329 6.3348 6.3348 6.3646 6.3646 6.8309 6.8309 6.8357 6.8357 8.6209 8.6209 8.6726 8.6726 8.9765 8.9765 9.0136 9.0136 9.6045 9.6045 9.6598 9.6598 10.0437 10.0437 10.0860 10.0860 11.2288 11.2288 11.2699 11.2699 16.1574 16.1574 16.1625 16.1625 k = 0.1803 0.3123 0.3187 ( 1714 PWs) bands (ev): -3.1229 -3.1229 -3.1206 -3.1206 4.5787 4.5787 4.5812 4.5812 6.3796 6.3796 6.4089 6.4089 6.8387 6.8387 6.8434 6.8434 8.6180 8.6180 8.6727 8.6727 8.9611 8.9611 9.0001 9.0001 9.6303 9.6303 9.6920 9.6920 10.0505 10.0505 10.1000 10.1000 11.2032 11.2032 11.2461 11.2461 16.1799 16.1799 16.1853 16.1853 k = 0.1749 0.3029 0.3187 ( 1718 PWs) bands (ev): -3.1608 -3.1608 -3.1587 -3.1587 4.6287 4.6287 4.6315 4.6315 6.4220 6.4220 6.4507 6.4507 6.8459 6.8459 6.8506 6.8506 8.6162 8.6162 8.6738 8.6738 8.9465 8.9465 8.9876 8.9876 9.6548 9.6548 9.7231 9.7231 10.0574 10.0574 10.1146 10.1146 11.1810 11.1810 11.2257 11.2257 16.2030 16.2030 16.2088 16.2088 k = 0.1694 0.2934 0.3187 ( 1722 PWs) bands (ev): -3.1988 -3.1988 -3.1968 -3.1968 4.6804 4.6804 4.6835 4.6835 6.4620 6.4620 6.4899 6.4899 6.8524 6.8524 6.8573 6.8573 8.6155 8.6155 8.6757 8.6757 8.9327 8.9327 8.9759 8.9759 9.6774 9.6774 9.7520 9.7520 10.0653 10.0653 10.1307 10.1307 11.1623 11.1623 11.2087 11.2087 16.2269 16.2269 16.2331 16.2331 k = 0.1639 0.2839 0.3187 ( 1728 PWs) bands (ev): -3.2367 -3.2367 -3.2348 -3.2348 4.7336 4.7336 4.7369 4.7369 6.4997 6.4997 6.5266 6.5266 6.8582 6.8582 6.8635 6.8635 8.6160 8.6160 8.6786 8.6786 8.9199 8.9199 8.9651 8.9651 9.6972 9.6972 9.7774 9.7774 10.0756 10.0756 10.1486 10.1486 11.1473 11.1473 11.1952 11.1952 16.2519 16.2519 16.2586 16.2586 k = 0.1585 0.2745 0.3187 ( 1720 PWs) bands (ev): -3.2743 -3.2743 -3.2726 -3.2726 4.7880 4.7880 4.7916 4.7916 6.5351 6.5351 6.5610 6.5610 6.8634 6.8634 6.8690 6.8690 8.6177 8.6177 8.6825 8.6825 8.9083 8.9083 8.9554 8.9554 9.7137 9.7137 9.7978 9.7978 10.0901 10.0901 10.1693 10.1693 11.1360 11.1360 11.1854 11.1854 16.2781 16.2781 16.2853 16.2853 k = 0.1530 0.2650 0.3187 ( 1716 PWs) bands (ev): -3.3116 -3.3116 -3.3100 -3.3100 4.8435 4.8435 4.8472 4.8472 6.5683 6.5683 6.5930 6.5930 6.8678 6.8678 6.8739 6.8739 8.6203 8.6203 8.6871 8.6871 8.8975 8.8975 8.9464 8.9464 9.7261 9.7261 9.8118 9.8118 10.1099 10.1099 10.1934 10.1934 11.1284 11.1284 11.1791 11.1791 16.3058 16.3058 16.3134 16.3134 k = 0.1475 0.2555 0.3187 ( 1720 PWs) bands (ev): -3.3485 -3.3485 -3.3470 -3.3470 4.8996 4.8996 4.9035 4.9035 6.5993 6.5993 6.6228 6.6228 6.8714 6.8714 6.8781 6.8781 8.6240 8.6240 8.6923 8.6923 8.8877 8.8877 8.9382 8.9382 9.7338 9.7338 9.8183 9.8183 10.1362 10.1362 10.2213 10.2213 11.1245 11.1245 11.1762 11.1762 16.3349 16.3349 16.3430 16.3430 k = 0.1421 0.2461 0.3187 ( 1720 PWs) bands (ev): -3.3848 -3.3848 -3.3834 -3.3834 4.9561 4.9561 4.9602 4.9602 6.6283 6.6283 6.6504 6.6504 6.8744 6.8744 6.8815 6.8815 8.6287 8.6287 8.6982 8.6982 8.8788 8.8788 8.9308 8.9308 9.7367 9.7367 9.8177 9.8177 10.1690 10.1690 10.2534 10.2534 11.1239 11.1239 11.1765 11.1765 16.3656 16.3656 16.3743 16.3743 k = 0.1366 0.2366 0.3187 ( 1720 PWs) bands (ev): -3.4206 -3.4206 -3.4192 -3.4192 5.0129 5.0129 5.0170 5.0170 6.6553 6.6553 6.6760 6.6760 6.8769 6.8769 6.8842 6.8842 8.6344 8.6344 8.7046 8.7046 8.8710 8.8710 8.9242 8.9242 9.7350 9.7350 9.8108 9.8108 10.2076 10.2076 10.2897 10.2897 11.1266 11.1266 11.1797 11.1797 16.3980 16.3980 16.4072 16.4072 k = 0.1311 0.2272 0.3187 ( 1718 PWs) bands (ev): -3.4555 -3.4555 -3.4542 -3.4542 5.0695 5.0695 5.0737 5.0737 6.6803 6.6803 6.6996 6.6996 6.8787 6.8787 6.8864 6.8864 8.6409 8.6409 8.7115 8.7115 8.8641 8.8641 8.9183 8.9183 9.7290 9.7290 9.7987 9.7987 10.2512 10.2512 10.3300 10.3300 11.1322 11.1322 11.1856 11.1856 16.4318 16.4318 16.4416 16.4416 k = 0.1257 0.2177 0.3187 ( 1718 PWs) bands (ev): -3.4897 -3.4897 -3.4884 -3.4884 5.1258 5.1258 5.1300 5.1300 6.7036 6.7036 6.7215 6.7215 6.8801 6.8801 6.8880 6.8880 8.6481 8.6481 8.7188 8.7188 8.8579 8.8579 8.9128 8.9128 9.7191 9.7191 9.7825 9.7825 10.2989 10.2989 10.3740 10.3740 11.1404 11.1404 11.1938 11.1938 16.4668 16.4668 16.4773 16.4773 k = 0.1202 0.2082 0.3187 ( 1714 PWs) bands (ev): -3.5230 -3.5230 -3.5218 -3.5218 5.1814 5.1814 5.1856 5.1856 6.7252 6.7252 6.7416 6.7416 6.8812 6.8812 6.8892 6.8892 8.6561 8.6561 8.7263 8.7263 8.8528 8.8528 8.9080 8.9080 9.7058 9.7058 9.7632 9.7632 10.3500 10.3500 10.4214 10.4214 11.1509 11.1509 11.2040 11.2040 16.5025 16.5025 16.5137 16.5137 k = 0.1148 0.1988 0.3187 ( 1718 PWs) bands (ev): -3.5553 -3.5553 -3.5541 -3.5541 5.2361 5.2361 5.2402 5.2402 6.7450 6.7450 6.7600 6.7600 6.8819 6.8819 6.8899 6.8899 8.6647 8.6647 8.7340 8.7340 8.8484 8.8484 8.9036 8.9036 9.6897 9.6897 9.7414 9.7414 10.4040 10.4040 10.4716 10.4716 11.1632 11.1632 11.2158 11.2158 16.5383 16.5383 16.5501 16.5501 k = 0.1093 0.1893 0.3187 ( 1722 PWs) bands (ev): -3.5865 -3.5865 -3.5855 -3.5855 5.2897 5.2897 5.2937 5.2937 6.7634 6.7634 6.7770 6.7770 6.8826 6.8826 6.8905 6.8905 8.6738 8.6738 8.7417 8.7417 8.8448 8.8448 8.8997 8.8997 9.6714 9.6714 9.7178 9.7178 10.4603 10.4603 10.5243 10.5243 11.1772 11.1772 11.2289 11.2289 16.5730 16.5730 16.5854 16.5854 k = 0.1038 0.1798 0.3187 ( 1722 PWs) bands (ev): -3.6167 -3.6167 -3.6156 -3.6156 5.3418 5.3418 5.3456 5.3456 6.7803 6.7803 6.7925 6.7925 6.8832 6.8832 6.8910 6.8910 8.6833 8.6833 8.7494 8.7494 8.8419 8.8419 8.8961 8.8961 9.6513 9.6513 9.6929 9.6929 10.5187 10.5187 10.5793 10.5793 11.1924 11.1924 11.2430 11.2430 16.6050 16.6050 16.6179 16.6179 k = 0.0984 0.1704 0.3187 ( 1718 PWs) bands (ev): -3.6456 -3.6456 -3.6446 -3.6446 5.3923 5.3923 5.3959 5.3959 6.7959 6.7959 6.8068 6.8068 6.8839 6.8839 6.8915 6.8915 8.6932 8.6932 8.7571 8.7571 8.8397 8.8397 8.8928 8.8928 9.6300 9.6300 9.6673 9.6673 10.5788 10.5788 10.6360 10.6360 11.2085 11.2085 11.2577 11.2577 16.6323 16.6323 16.6455 16.6455 k = 0.0929 0.1609 0.3187 ( 1718 PWs) bands (ev): -3.6733 -3.6733 -3.6724 -3.6724 5.4409 5.4409 5.4442 5.4442 6.8102 6.8102 6.8197 6.8197 6.8848 6.8848 6.8922 6.8922 8.7033 8.7033 8.7646 8.7646 8.8381 8.8381 8.8896 8.8896 9.6078 9.6078 9.6411 9.6411 10.6402 10.6402 10.6942 10.6942 11.2253 11.2253 11.2728 11.2728 16.6521 16.6521 16.6651 16.6651 k = 0.0874 0.1514 0.3187 ( 1718 PWs) bands (ev): -3.6997 -3.6997 -3.6989 -3.6989 5.4873 5.4873 5.4903 5.4903 6.8232 6.8232 6.8315 6.8315 6.8859 6.8859 6.8931 6.8931 8.7136 8.7136 8.7718 8.7718 8.8370 8.8370 8.8867 8.8867 9.5851 9.5851 9.6149 9.6149 10.7026 10.7026 10.7534 10.7534 11.2424 11.2424 11.2881 11.2881 16.6613 16.6613 16.6736 16.6736 k = 0.0820 0.1420 0.3187 ( 1718 PWs) bands (ev): -3.7248 -3.7248 -3.7240 -3.7240 5.5313 5.5313 5.5341 5.5341 6.8351 6.8351 6.8422 6.8422 6.8874 6.8874 6.8944 6.8944 8.7239 8.7239 8.7787 8.7787 8.8364 8.8364 8.8838 8.8838 9.5622 9.5622 9.5888 9.5888 10.7656 10.7656 10.8132 10.8132 11.2595 11.2595 11.3032 11.3032 16.6572 16.6572 16.6683 16.6683 k = 0.0765 0.1325 0.3187 ( 1714 PWs) bands (ev): -3.7484 -3.7484 -3.7477 -3.7477 5.5729 5.5729 5.5754 5.5754 6.8460 6.8460 6.8519 6.8519 6.8894 6.8894 6.8961 6.8961 8.7343 8.7343 8.7853 8.7853 8.8363 8.8363 8.8811 8.8811 9.5395 9.5395 9.5631 9.5631 10.8288 10.8288 10.8734 10.8734 11.2766 11.2766 11.3180 11.3180 16.6385 16.6385 16.6480 16.6480 k = 0.0710 0.1230 0.3187 ( 1718 PWs) bands (ev): -3.7706 -3.7706 -3.7699 -3.7699 5.6118 5.6118 5.6139 5.6139 6.8558 6.8558 6.8608 6.8608 6.8916 6.8916 6.8981 6.8981 8.7444 8.7444 8.7913 8.7913 8.8365 8.8365 8.8782 8.8782 9.5171 9.5171 9.5382 9.5382 10.8918 10.8918 10.9332 10.9332 11.2932 11.2932 11.3322 11.3322 16.6056 16.6056 16.6134 16.6134 k = 0.0656 0.1136 0.3187 ( 1718 PWs) bands (ev): -3.7914 -3.7914 -3.7907 -3.7907 5.6478 5.6478 5.6496 5.6496 6.8646 6.8646 6.8688 6.8688 6.8943 6.8943 6.9006 6.9006 8.7544 8.7544 8.7969 8.7969 8.8371 8.8371 8.8754 8.8754 9.4955 9.4955 9.5141 9.5141 10.9540 10.9540 10.9924 10.9924 11.3094 11.3094 11.3458 11.3458 16.5609 16.5609 16.5671 16.5671 k = 0.0601 0.1041 0.3187 ( 1718 PWs) bands (ev): -3.8106 -3.8106 -3.8100 -3.8100 5.6810 5.6810 5.6825 5.6825 6.8727 6.8727 6.8763 6.8763 6.8973 6.8973 6.9033 6.9033 8.7642 8.7642 8.8020 8.8020 8.8380 8.8380 8.8726 8.8726 9.4747 9.4747 9.4912 9.4912 11.0150 11.0150 11.0503 11.0503 11.3248 11.3248 11.3586 11.3586 16.5073 16.5073 16.5124 16.5124 k = 0.0546 0.0946 0.3187 ( 1718 PWs) bands (ev): -3.8282 -3.8282 -3.8277 -3.8277 5.7111 5.7111 5.7123 5.7123 6.8799 6.8799 6.8832 6.8832 6.9005 6.9005 6.9061 6.9061 8.7735 8.7735 8.8065 8.8065 8.8392 8.8392 8.8697 8.8697 9.4550 9.4550 9.4695 9.4695 11.0742 11.0742 11.1064 11.1064 11.3394 11.3394 11.3704 11.3704 16.4482 16.4482 16.4524 16.4524 k = 0.0492 0.0852 0.3187 ( 1718 PWs) bands (ev): -3.8443 -3.8443 -3.8438 -3.8438 5.7383 5.7383 5.7392 5.7392 6.8866 6.8866 6.8896 6.8896 6.9039 6.9039 6.9090 6.9090 8.7825 8.7825 8.8105 8.8105 8.8404 8.8404 8.8667 8.8667 9.4367 9.4367 9.4494 9.4494 11.1309 11.1309 11.1600 11.1600 11.3531 11.3531 11.3812 11.3812 16.3865 16.3865 16.3901 16.3901 k = 0.0437 0.0757 0.3187 ( 1718 PWs) bands (ev): -3.8587 -3.8587 -3.8582 -3.8582 5.7624 5.7624 5.7631 5.7631 6.8926 6.8926 6.8954 6.8954 6.9073 6.9073 6.9119 6.9119 8.7910 8.7910 8.8142 8.8142 8.8416 8.8416 8.8637 8.8637 9.4199 9.4199 9.4309 9.4309 11.1846 11.1846 11.2105 11.2105 11.3657 11.3657 11.3909 11.3909 16.3248 16.3248 16.3280 16.3280 k = 0.0383 0.0663 0.3187 ( 1718 PWs) bands (ev): -3.8715 -3.8715 -3.8711 -3.8711 5.7835 5.7835 5.7840 5.7840 6.8981 6.8981 6.9006 6.9006 6.9106 6.9106 6.9146 6.9146 8.7990 8.7990 8.8174 8.8174 8.8428 8.8428 8.8605 8.8605 9.4047 9.4047 9.4141 9.4141 11.2344 11.2344 11.2572 11.2572 11.3772 11.3772 11.3993 11.3993 16.2653 16.2653 16.2681 16.2681 k = 0.0328 0.0568 0.3187 ( 1720 PWs) bands (ev): -3.8826 -3.8826 -3.8823 -3.8823 5.8017 5.8017 5.8020 5.8020 6.9031 6.9031 6.9051 6.9051 6.9138 6.9138 6.9170 6.9170 8.8063 8.8063 8.8204 8.8204 8.8436 8.8436 8.8573 8.8573 9.3913 9.3913 9.3993 9.3993 11.2797 11.2797 11.2993 11.2993 11.3876 11.3876 11.4065 11.4065 16.2099 16.2099 16.2124 16.2124 k = 0.0273 0.0473 0.3187 ( 1712 PWs) bands (ev): -3.8920 -3.8920 -3.8917 -3.8917 5.8169 5.8169 5.8171 5.8171 6.9076 6.9076 6.9091 6.9091 6.9169 6.9169 6.9193 6.9193 8.8131 8.8131 8.8234 8.8234 8.8442 8.8442 8.8542 8.8542 9.3800 9.3800 9.3866 9.3866 11.3199 11.3199 11.3362 11.3362 11.3966 11.3966 11.4125 11.4125 16.1602 16.1602 16.1624 16.1624 k = 0.0219 0.0379 0.3187 ( 1708 PWs) bands (ev): -3.8998 -3.8998 -3.8995 -3.8995 5.8292 5.8292 5.8293 5.8293 6.9113 6.9113 6.9122 6.9122 6.9196 6.9196 6.9212 6.9212 8.8192 8.8192 8.8262 8.8262 8.8444 8.8444 8.8510 8.8510 9.3706 9.3706 9.3758 9.3758 11.3541 11.3541 11.3672 11.3672 11.4044 11.4044 11.4171 11.4171 16.1176 16.1176 16.1194 16.1194 k = 0.0164 0.0284 0.3187 ( 1700 PWs) bands (ev): -3.9058 -3.9058 -3.9056 -3.9056 5.8387 5.8387 5.8388 5.8388 6.9142 6.9142 6.9147 6.9147 6.9219 6.9219 6.9229 6.9229 8.8245 8.8245 8.8290 8.8290 8.8441 8.8441 8.8479 8.8479 9.3634 9.3634 9.3673 9.3673 11.3818 11.3818 11.3916 11.3916 11.4109 11.4109 11.4204 11.4204 16.0834 16.0834 16.0847 16.0847 k = 0.0109 0.0189 0.3187 ( 1698 PWs) bands (ev): -3.9101 -3.9101 -3.9100 -3.9100 5.8455 5.8455 5.8455 5.8455 6.9163 6.9163 6.9164 6.9164 6.9236 6.9236 6.9242 6.9242 8.8289 8.8289 8.8316 8.8316 8.8432 8.8432 8.8449 8.8449 9.3584 9.3584 9.3610 9.3610 11.4025 11.4025 11.4088 11.4088 11.4162 11.4162 11.4222 11.4222 16.0583 16.0583 16.0592 16.0592 k = 0.0055 0.0095 0.3187 ( 1698 PWs) bands (ev): -3.9126 -3.9126 -3.9126 -3.9126 5.8495 5.8495 5.8495 5.8495 6.9175 6.9175 6.9175 6.9175 6.9247 6.9247 6.9250 6.9250 8.8323 8.8323 8.8337 8.8337 8.8420 8.8420 8.8424 8.8424 9.3556 9.3556 9.3569 9.3569 11.4158 11.4158 11.4182 11.4182 11.4204 11.4204 11.4227 11.4227 16.0430 16.0430 16.0435 16.0435 k = 0.0000 0.0000 0.3187 ( 1690 PWs) bands (ev): -3.9135 -3.9135 -3.9135 -3.9135 5.8508 5.8508 5.8508 5.8508 6.9179 6.9179 6.9179 6.9179 6.9252 6.9252 6.9252 6.9252 8.8344 8.8344 8.8344 8.8344 8.8414 8.8414 8.8414 8.8414 9.3551 9.3551 9.3551 9.3551 11.4210 11.4210 11.4210 11.4210 11.4222 11.4222 11.4222 11.4222 16.0381 16.0381 16.0381 16.0381 k = 0.5000 0.2887 0.3187 ( 1720 PWs) bands (ev): -2.6678 -2.6678 -2.6678 -2.6678 3.6182 3.6182 3.6182 3.6182 6.5952 6.5952 6.5952 6.5952 6.6759 6.6759 6.6759 6.6759 8.5962 8.5962 8.5962 8.5962 9.2258 9.2258 9.2258 9.2258 9.3945 9.3945 9.3945 9.3945 10.5308 10.5308 10.5308 10.5308 11.1373 11.1373 11.1373 11.1373 14.2892 14.2892 14.2892 14.2892 k = 0.5000 0.2887 0.3081 ( 1724 PWs) bands (ev): -2.6765 -2.6765 -2.6594 -2.6594 3.5851 3.5851 3.6538 3.6538 6.5751 6.5751 6.6156 6.6156 6.6571 6.6571 6.6926 6.6926 8.5601 8.5601 8.6313 8.6313 9.2207 9.2207 9.2308 9.2308 9.3862 9.3862 9.4029 9.4029 10.4610 10.4610 10.6018 10.6018 11.0818 11.0818 11.1914 11.1914 14.1954 14.1954 14.3872 14.3872 k = 0.5000 0.2887 0.2975 ( 1724 PWs) bands (ev): -2.6853 -2.6853 -2.6511 -2.6511 3.5546 3.5546 3.6918 3.6918 6.5553 6.5553 6.6328 6.6328 6.6398 6.6398 6.7071 6.7071 8.5233 8.5233 8.6654 8.6654 9.2157 9.2157 9.2356 9.2356 9.3781 9.3781 9.4115 9.4115 10.3924 10.3924 10.6738 10.6738 11.0257 11.0257 11.2437 11.2437 14.1070 14.1070 14.4880 14.4880 k = 0.5000 0.2887 0.2869 ( 1728 PWs) bands (ev): -2.6942 -2.6942 -2.6430 -2.6430 3.5265 3.5265 3.7324 3.7324 6.5359 6.5359 6.6129 6.6129 6.6580 6.6580 6.7190 6.7190 8.4858 8.4858 8.6983 8.6983 9.2105 9.2105 9.2404 9.2404 9.3702 9.3702 9.4202 9.4202 10.3251 10.3251 10.7466 10.7466 10.9694 10.9694 11.2934 11.2934 14.0254 14.0254 14.5904 14.5904 k = 0.5000 0.2887 0.2762 ( 1728 PWs) bands (ev): -2.7031 -2.7031 -2.6351 -2.6351 3.5010 3.5010 3.7755 3.7755 6.5169 6.5169 6.5888 6.5888 6.6790 6.6790 6.7283 6.7283 8.4479 8.4479 8.7300 8.7300 9.2054 9.2054 9.2450 9.2450 9.3625 9.3625 9.4291 9.4291 10.2594 10.2594 10.8199 10.8199 10.9138 10.9138 11.3399 11.3399 13.9517 13.9517 14.6930 14.6930 k = 0.5000 0.2887 0.2656 ( 1734 PWs) bands (ev): -2.7121 -2.7121 -2.6276 -2.6276 3.4778 3.4778 3.8209 3.8209 6.4984 6.4984 6.5632 6.5632 6.6999 6.6999 6.7352 6.7352 8.4095 8.4095 8.7602 8.7602 9.2004 9.2004 9.2493 9.2493 9.3550 9.3550 9.4379 9.4379 10.1951 10.1951 10.8549 10.8549 10.8976 10.8976 11.3824 11.3824 13.8870 13.8870 14.7942 14.7942 k = 0.5000 0.2887 0.2550 ( 1740 PWs) bands (ev): -2.7211 -2.7211 -2.6203 -2.6203 3.4571 3.4571 3.8688 3.8688 6.4804 6.4804 6.5363 6.5363 6.7193 6.7193 6.7405 6.7405 8.3710 8.3710 8.7888 8.7888 9.1955 9.1955 9.2534 9.2534 9.3477 9.3477 9.4470 9.4470 10.1324 10.1324 10.8020 10.8020 10.9710 10.9710 11.4202 11.4202 13.8326 13.8326 14.8929 14.8929 k = 0.5000 0.2887 0.2444 ( 1732 PWs) bands (ev): -2.7301 -2.7301 -2.6132 -2.6132 3.4387 3.4387 3.9190 3.9190 6.4629 6.4629 6.5084 6.5084 6.7305 6.7305 6.7511 6.7511 8.3324 8.3324 8.8159 8.8159 9.1908 9.1908 9.2574 9.2574 9.3408 9.3408 9.4564 9.4564 10.0716 10.0716 10.7488 10.7488 11.0463 11.0463 11.4528 11.4528 13.7893 13.7893 14.9874 14.9874 k = 0.5000 0.2887 0.2337 ( 1740 PWs) bands (ev): -2.7390 -2.7390 -2.6065 -2.6065 3.4226 3.4226 3.9714 3.9714 6.4459 6.4459 6.4798 6.4798 6.7298 6.7298 6.7701 6.7701 8.2939 8.2939 8.8412 8.8412 9.1861 9.1861 9.2607 9.2607 9.3341 9.3341 9.4654 9.4654 10.0127 10.0127 10.6969 10.6969 11.1219 11.1219 11.4795 11.4795 13.7579 13.7579 15.0765 15.0765 k = 0.5000 0.2887 0.2231 ( 1736 PWs) bands (ev): -2.7478 -2.7478 -2.6001 -2.6001 3.4086 3.4086 4.0260 4.0260 6.4291 6.4291 6.4509 6.4509 6.7236 6.7236 6.7912 6.7912 8.2556 8.2556 8.8647 8.8647 9.1816 9.1816 9.2637 9.2637 9.3276 9.3276 9.4748 9.4748 9.9557 9.9557 10.6466 10.6466 11.1977 11.1977 11.5003 11.5003 13.7391 13.7391 15.1591 15.1591 k = 0.5000 0.2887 0.2125 ( 1736 PWs) bands (ev): -2.7565 -2.7565 -2.5940 -2.5940 3.3968 3.3968 4.0827 4.0827 6.4112 6.4112 6.4233 6.4233 6.7131 6.7131 6.8127 6.8127 8.2177 8.2177 8.8863 8.8863 9.1774 9.1774 9.2663 9.2663 9.3215 9.3215 9.4842 9.4842 9.9009 9.9009 10.5982 10.5982 11.2732 11.2732 11.5150 11.5150 13.7331 13.7331 15.2341 15.2341 k = 0.5000 0.2887 0.2019 ( 1730 PWs) bands (ev): -2.7650 -2.7650 -2.5883 -2.5883 3.3870 3.3870 4.1414 4.1414 6.3865 6.3865 6.4027 6.4027 6.6989 6.6989 6.8342 6.8342 8.1805 8.1805 8.9061 8.9061 9.1733 9.1733 9.2684 9.2684 9.3158 9.3158 9.4936 9.4936 9.8485 9.8485 10.5518 10.5518 11.3480 11.3480 11.5241 11.5241 13.7398 13.7398 15.3010 15.3010 k = 0.5000 0.2887 0.1912 ( 1730 PWs) bands (ev): -2.7733 -2.7733 -2.5829 -2.5829 3.3790 3.3790 4.2019 4.2019 6.3573 6.3573 6.3872 6.3872 6.6807 6.6807 6.8556 6.8556 8.1438 8.1438 8.9238 8.9238 9.1695 9.1695 9.2698 9.2698 9.3103 9.3103 9.5029 9.5029 9.7984 9.7984 10.5074 10.5074 11.4213 11.4213 11.5288 11.5288 13.7588 13.7588 15.3596 15.3596 k = 0.5000 0.2887 0.1806 ( 1722 PWs) bands (ev): -2.7814 -2.7814 -2.5778 -2.5778 3.3728 3.3728 4.2642 4.2642 6.3273 6.3273 6.3732 6.3732 6.6588 6.6588 6.8768 6.8768 8.1081 8.1081 8.9397 8.9397 9.1660 9.1660 9.2705 9.2705 9.3052 9.3052 9.5121 9.5121 9.7511 9.7511 10.4654 10.4654 11.4867 11.4867 11.5358 11.5358 13.7897 13.7897 15.4099 15.4099 k = 0.5000 0.2887 0.1700 ( 1726 PWs) bands (ev): -2.7892 -2.7892 -2.5730 -2.5730 3.3683 3.3683 4.3281 4.3281 6.2973 6.2973 6.3601 6.3601 6.6330 6.6330 6.8975 6.8975 8.0733 8.0733 8.9535 8.9535 9.1624 9.1624 9.2705 9.2705 9.3001 9.3001 9.5211 9.5211 9.7066 9.7066 10.4255 10.4255 11.5084 11.5084 11.5814 11.5814 13.8316 13.8316 15.4524 15.4524 k = 0.5000 0.2887 0.1594 ( 1730 PWs) bands (ev): -2.7967 -2.7967 -2.5686 -2.5686 3.3652 3.3652 4.3935 4.3935 6.2677 6.2677 6.3478 6.3478 6.6034 6.6034 6.9178 6.9178 8.0395 8.0395 8.9655 8.9655 9.1593 9.1593 9.2697 9.2697 9.2952 9.2952 9.5298 9.5298 9.6653 9.6653 10.3881 10.3881 11.5030 11.5030 11.6496 11.6496 13.8836 13.8836 15.4877 15.4877 k = 0.5000 0.2887 0.1487 ( 1734 PWs) bands (ev): -2.8039 -2.8039 -2.5646 -2.5646 3.3634 3.3634 4.4600 4.4600 6.2387 6.2387 6.3361 6.3361 6.5702 6.5702 6.9375 6.9375 8.0072 8.0072 8.9757 8.9757 9.1563 9.1563 9.2682 9.2682 9.2904 9.2904 9.5379 9.5379 9.6275 9.6275 10.3530 10.3530 11.4925 11.4925 11.7189 11.7189 13.9447 13.9447 15.5166 15.5166 k = 0.5000 0.2887 0.1381 ( 1730 PWs) bands (ev): -2.8107 -2.8107 -2.5608 -2.5608 3.3628 3.3628 4.5276 4.5276 6.2105 6.2105 6.3253 6.3253 6.5336 6.5336 6.9566 6.9566 7.9765 7.9765 8.9843 8.9843 9.1535 9.1535 9.2661 9.2661 9.2853 9.2853 9.5451 9.5451 9.5940 9.5940 10.3205 10.3205 11.4799 11.4799 11.7869 11.7869 14.0140 14.0140 15.5399 15.5399 k = 0.5000 0.2887 0.1275 ( 1726 PWs) bands (ev): -2.8171 -2.8171 -2.5574 -2.5574 3.3632 3.3632 4.5959 4.5959 6.1833 6.1833 6.3155 6.3155 6.4938 6.4938 6.9749 6.9749 7.9473 7.9473 8.9914 8.9914 9.1507 9.1507 9.2634 9.2634 9.2800 9.2800 9.5473 9.5473 9.5688 9.5688 10.2904 10.2904 11.4662 11.4662 11.8529 11.8529 14.0905 14.0905 15.5584 15.5584 k = 0.5000 0.2887 0.1169 ( 1722 PWs) bands (ev): -2.8231 -2.8231 -2.5543 -2.5543 3.3644 3.3644 4.6646 4.6646 6.1573 6.1573 6.3062 6.3062 6.4511 6.4511 6.9923 6.9923 7.9200 7.9200 8.9973 8.9973 9.1478 9.1478 9.2599 9.2599 9.2745 9.2745 9.5306 9.5306 9.5661 9.5661 10.2627 10.2627 11.4522 11.4522 11.9162 11.9162 14.1733 14.1733 15.5730 15.5730 k = 0.5000 0.2887 0.1062 ( 1724 PWs) bands (ev): -2.8287 -2.8287 -2.5515 -2.5515 3.3663 3.3663 4.7335 4.7335 6.1328 6.1328 6.2976 6.2976 6.4057 6.4057 7.0087 7.0087 7.8944 7.8944 9.0018 9.0018 9.1448 9.1448 9.2554 9.2554 9.2693 9.2693 9.5093 9.5093 9.5714 9.5714 10.2375 10.2375 11.4384 11.4384 11.9763 11.9763 14.2617 14.2617 15.5844 15.5844 k = 0.5000 0.2887 0.0956 ( 1724 PWs) bands (ev): -2.8338 -2.8338 -2.5490 -2.5490 3.3687 3.3687 4.8019 4.8019 6.1099 6.1099 6.2898 6.2898 6.3584 6.3584 7.0240 7.0240 7.8709 7.8709 9.0053 9.0053 9.1415 9.1415 9.2495 9.2495 9.2649 9.2649 9.4908 9.4908 9.5772 9.5772 10.2149 10.2149 11.4253 11.4253 12.0329 12.0329 14.3548 14.3548 15.5930 15.5930 k = 0.5000 0.2887 0.0850 ( 1732 PWs) bands (ev): -2.8385 -2.8385 -2.5468 -2.5468 3.3713 3.3713 4.8694 4.8694 6.0887 6.0887 6.2823 6.2823 6.3099 6.3099 7.0381 7.0381 7.8495 7.8495 9.0080 9.0080 9.1379 9.1379 9.2425 9.2425 9.2616 9.2616 9.4756 9.4756 9.5826 9.5826 10.1945 10.1945 11.4131 11.4131 12.0853 12.0853 14.4517 14.4517 15.5996 15.5996 k = 0.5000 0.2887 0.0744 ( 1728 PWs) bands (ev): -2.8426 -2.8426 -2.5448 -2.5448 3.3741 3.3741 4.9353 4.9353 6.0696 6.0696 6.2583 6.2583 6.2781 6.2781 7.0508 7.0508 7.8306 7.8306 9.0100 9.0100 9.1339 9.1339 9.2353 9.2353 9.2589 9.2589 9.4635 9.4635 9.5875 9.5875 10.1767 10.1767 11.4022 11.4022 12.1331 12.1331 14.5516 14.5516 15.6045 15.6045 k = 0.5000 0.2887 0.0637 ( 1720 PWs) bands (ev): -2.8462 -2.8462 -2.5432 -2.5432 3.3770 3.3770 4.9985 4.9985 6.0526 6.0526 6.2098 6.2098 6.2720 6.2720 7.0621 7.0621 7.8139 7.8139 9.0116 9.0116 9.1297 9.1297 9.2285 9.2285 9.2569 9.2569 9.4541 9.4541 9.5919 9.5919 10.1615 10.1615 11.3926 11.3926 12.1758 12.1758 14.6535 14.6535 15.6080 15.6080 k = 0.5000 0.2887 0.0531 ( 1720 PWs) bands (ev): -2.8493 -2.8493 -2.5418 -2.5418 3.3796 3.3796 5.0579 5.0579 6.0380 6.0380 6.1621 6.1621 6.2674 6.2674 7.0719 7.0719 7.7996 7.7996 9.0125 9.0125 9.1254 9.1254 9.2225 9.2225 9.2551 9.2551 9.4469 9.4469 9.5956 9.5956 10.1485 10.1485 11.3843 11.3843 12.2129 12.2129 14.7559 14.7559 15.6106 15.6106 k = 0.5000 0.2887 0.0425 ( 1720 PWs) bands (ev): -2.8519 -2.8519 -2.5406 -2.5406 3.3820 3.3820 5.1118 5.1118 6.0258 6.0258 6.1177 6.1177 6.2636 6.2636 7.0800 7.0800 7.7878 7.7878 9.0132 9.0132 9.1212 9.1212 9.2176 9.2176 9.2538 9.2538 9.4415 9.4415 9.5986 9.5986 10.1379 10.1379 11.3775 11.3775 12.2439 12.2439 14.8568 14.8568 15.6124 15.6124 k = 0.5000 0.2887 0.0319 ( 1720 PWs) bands (ev): -2.8538 -2.8538 -2.5398 -2.5398 3.3839 3.3839 5.1581 5.1581 6.0162 6.0162 6.0787 6.0787 6.2607 6.2607 7.0864 7.0864 7.7786 7.7786 9.0136 9.0136 9.1175 9.1175 9.2138 9.2138 9.2527 9.2527 9.4376 9.4376 9.6010 9.6010 10.1297 10.1297 11.3722 11.3722 12.2686 12.2686 14.9528 14.9528 15.6136 15.6136 k = 0.5000 0.2887 0.0212 ( 1722 PWs) bands (ev): -2.8553 -2.8553 -2.5391 -2.5391 3.3854 3.3854 5.1942 5.1942 6.0092 6.0092 6.0477 6.0477 6.2586 6.2586 7.0910 7.0910 7.7720 7.7720 9.0138 9.0138 9.1145 9.1145 9.2112 9.2112 9.2519 9.2519 9.4350 9.4350 9.6026 9.6026 10.1239 10.1239 11.3685 11.3685 12.2864 12.2864 15.0375 15.0375 15.6144 15.6144 k = 0.5000 0.2887 0.0106 ( 1726 PWs) bands (ev): -2.8561 -2.8561 -2.5388 -2.5388 3.3863 3.3863 5.2173 5.2173 6.0050 6.0050 6.0276 6.0276 6.2573 6.2573 7.0938 7.0938 7.7680 7.7680 9.0138 9.0138 9.1126 9.1126 9.2095 9.2095 9.2514 9.2514 9.4333 9.4333 9.6037 9.6037 10.1205 10.1205 11.3662 11.3662 12.2972 12.2972 15.0996 15.0996 15.6148 15.6148 k = 0.5000 0.2887-0.0000 ( 1734 PWs) bands (ev): -2.8564 -2.8564 -2.5387 -2.5387 3.3866 3.3866 5.2254 5.2254 6.0036 6.0036 6.0207 6.0207 6.2569 6.2569 7.0948 7.0948 7.7665 7.7665 9.0137 9.0137 9.1118 9.1118 9.2089 9.2089 9.2511 9.2511 9.4326 9.4326 9.6040 9.6040 10.1193 10.1193 11.3654 11.3654 12.3008 12.3008 15.1234 15.1234 15.6149 15.6149 k = 0.3333 0.5774-0.0000 ( 1719 PWs) bands (ev): -2.5199 -2.5199 -2.5135 -2.5132 3.6910 3.6910 5.0127 5.0153 5.0187 5.0187 6.1962 6.2077 6.2114 6.2114 6.3752 6.3752 8.5915 8.5915 8.9284 8.9930 9.1185 9.1185 9.2593 9.2604 9.2604 9.3166 9.4934 9.4934 10.0997 10.1177 10.2368 10.2368 10.6254 10.6254 10.6848 10.7030 13.5020 13.5020 18.3240 18.3240 k = 0.3333 0.5774 0.0106 ( 1725 PWs) bands (ev): -2.5199 -2.5199 -2.5134 -2.5132 3.6923 3.6923 5.0108 5.0133 5.0167 5.0167 6.1981 6.2095 6.2132 6.2132 6.3722 6.3722 8.5920 8.5920 8.9283 8.9928 9.1177 9.1177 9.2592 9.2609 9.2609 9.3165 9.4928 9.4928 10.0971 10.1150 10.2330 10.2330 10.6312 10.6312 10.6896 10.7075 13.5070 13.5070 18.3234 18.3234 k = 0.3333 0.5774 0.0212 ( 1725 PWs) bands (ev): -2.5197 -2.5197 -2.5132 -2.5130 3.6962 3.6962 5.0051 5.0075 5.0109 5.0109 6.2037 6.2150 6.2187 6.2187 6.3633 6.3633 8.5936 8.5936 8.9281 8.9923 9.1155 9.1155 9.2597 9.2630 9.2630 9.3168 9.4910 9.4910 10.0896 10.1069 10.2224 10.2224 10.6481 10.6481 10.7036 10.7209 13.5218 13.5218 18.3217 18.3217 k = 0.3333 0.5774 0.0319 ( 1737 PWs) bands (ev): -2.5194 -2.5194 -2.5129 -2.5127 3.7026 3.7026 4.9955 4.9979 5.0013 5.0013 6.2127 6.2239 6.2277 6.2277 6.3486 6.3486 8.5964 8.5964 8.9279 8.9916 9.1119 9.1119 9.2604 9.2664 9.2664 9.3172 9.4878 9.4878 10.0776 10.0943 10.2063 10.2063 10.6743 10.6743 10.7258 10.7424 13.5463 13.5463 18.3187 18.3187 k = 0.3333 0.5774 0.0425 ( 1737 PWs) bands (ev): -2.5190 -2.5190 -2.5125 -2.5123 3.7116 3.7116 4.9828 4.9850 4.9884 4.9884 6.2251 6.2361 6.2400 6.2400 6.3281 6.3281 8.6001 8.6001 8.9275 8.9905 9.1071 9.1071 9.2616 9.2709 9.2709 9.3178 9.4836 9.4836 10.0623 10.0781 10.1866 10.1866 10.7083 10.7083 10.7557 10.7713 13.5805 13.5805 18.3143 18.3143 k = 0.3333 0.5774 0.0531 ( 1737 PWs) bands (ev): -2.5185 -2.5185 -2.5120 -2.5118 3.7232 3.7232 4.9670 4.9691 4.9725 4.9725 6.2404 6.2512 6.2551 6.2551 6.3021 6.3021 8.6050 8.6050 8.9269 8.9890 9.1012 9.1012 9.2631 9.2765 9.2765 9.3188 9.4783 9.4783 10.0443 10.0594 10.1646 10.1646 10.7486 10.7486 10.7921 10.8066 13.6240 13.6240 18.3086 18.3086 k = 0.3333 0.5774 0.0637 ( 1737 PWs) bands (ev): -2.5178 -2.5178 -2.5113 -2.5111 3.7373 3.7373 4.9485 4.9505 4.9538 4.9538 6.2582 6.2687 6.2696 6.2696 6.2741 6.2741 8.6109 8.6109 8.9262 8.9870 9.0944 9.0944 9.2651 9.2831 9.2831 9.3200 9.4717 9.4717 10.0245 10.0388 10.1415 10.1415 10.7939 10.7939 10.8339 10.8474 13.6768 13.6768 18.3012 18.3012 k = 0.3333 0.5774 0.0744 ( 1737 PWs) bands (ev): -2.5171 -2.5171 -2.5106 -2.5104 3.7540 3.7540 4.9278 4.9296 4.9329 4.9329 6.2345 6.2345 6.2781 6.2884 6.2927 6.2927 8.6178 8.6178 8.9252 8.9847 9.0867 9.0867 9.2677 9.2905 9.2905 9.3215 9.4640 9.4640 10.0036 10.0172 10.1179 10.1179 10.8433 10.8433 10.8804 10.8930 13.7384 13.7384 18.2921 18.2921 k = 0.3333 0.5774 0.0850 ( 1737 PWs) bands (ev): -2.5162 -2.5162 -2.5098 -2.5096 3.7732 3.7732 4.9052 4.9069 4.9101 4.9101 6.1936 6.1936 6.2998 6.3098 6.3142 6.3142 8.6258 8.6258 8.9240 8.9818 9.0784 9.0784 9.2709 9.2986 9.2986 9.3235 9.4552 9.4552 9.9819 9.9950 10.0944 10.0944 10.8962 10.8962 10.9309 10.9426 13.8086 13.8086 18.2804 18.2804 k = 0.3333 0.5774 0.0956 ( 1728 PWs) bands (ev): -2.5153 -2.5153 -2.5089 -2.5086 3.7949 3.7949 4.8813 4.8828 4.8860 4.8860 6.1484 6.1484 6.3228 6.3324 6.3370 6.3370 8.6347 8.6347 8.9226 8.9786 9.0698 9.0698 9.2747 9.3075 9.3075 9.3261 9.4453 9.4453 9.9600 9.9726 10.0712 10.0712 10.9523 10.9523 10.9848 10.9957 13.8870 13.8870 18.2620 18.2620 k = 0.3333 0.5774 0.1062 ( 1728 PWs) bands (ev): -2.5143 -2.5143 -2.5079 -2.5077 3.8190 3.8190 4.8563 4.8576 4.8607 4.8607 6.0992 6.0992 6.3467 6.3560 6.3607 6.3607 8.6447 8.6447 8.9208 8.9747 9.0606 9.0606 9.2792 9.3168 9.3168 9.3290 9.4344 9.4344 9.9381 9.9503 10.0484 10.0484 11.0109 11.0109 11.0417 11.0518 13.9733 13.9733 18.1595 18.1595 k = 0.3333 0.5774 0.1169 ( 1728 PWs) bands (ev): -2.5132 -2.5132 -2.5068 -2.5066 3.8457 3.8457 4.8306 4.8317 4.8348 4.8348 6.0464 6.0464 6.3712 6.3802 6.3850 6.3850 8.6555 8.6555 8.9187 8.9703 9.0510 9.0510 9.2843 9.3265 9.3265 9.3325 9.4225 9.4225 9.9164 9.9283 10.0263 10.0263 11.0718 11.0718 11.1011 11.1105 14.0670 14.0670 18.0214 18.0214 k = 0.3333 0.5774 0.1275 ( 1728 PWs) bands (ev): -2.5121 -2.5121 -2.5057 -2.5055 3.8748 3.8748 4.8045 4.8056 4.8085 4.8085 5.9902 5.9902 6.3960 6.4046 6.4096 6.4096 8.6672 8.6672 8.9163 8.9655 9.0413 9.0413 9.2902 9.3365 9.3365 9.3366 9.4098 9.4098 9.8950 9.9068 10.0048 10.0048 11.1346 11.1346 11.1626 11.1714 14.1677 14.1677 17.8819 17.8819 k = 0.3333 0.5774 0.1381 ( 1722 PWs) bands (ev): -2.5110 -2.5110 -2.5046 -2.5044 3.9063 3.9063 4.7785 4.7794 4.7822 4.7822 5.9312 5.9312 6.4208 6.4290 6.4342 6.4342 8.6798 8.6798 8.9137 8.9603 9.0317 9.0317 9.2969 9.3413 9.3463 9.3463 9.3968 9.3968 9.8741 9.8857 9.9840 9.9840 11.1990 11.1990 11.2258 11.2341 14.2751 14.2751 17.7427 17.7427 k = 0.3333 0.5774 0.1487 ( 1728 PWs) bands (ev): -2.5098 -2.5098 -2.5034 -2.5032 3.9402 3.9402 4.7526 4.7534 4.7561 4.7561 5.8696 5.8696 6.4453 6.4531 6.4584 6.4584 8.6930 8.6930 8.9107 8.9546 9.0220 9.0220 9.3041 9.3465 9.3538 9.3538 9.3853 9.3853 9.8537 9.8652 9.9637 9.9637 11.2646 11.2646 11.2903 11.2980 14.3886 14.3886 17.6048 17.6048 k = 0.3333 0.5774 0.1594 ( 1728 PWs) bands (ev): -2.5086 -2.5086 -2.5022 -2.5021 3.9764 3.9764 4.7272 4.7279 4.7306 4.7306 5.8058 5.8058 6.4692 6.4766 6.4821 6.4821 8.7070 8.7070 8.9075 8.9486 9.0126 9.0126 9.3121 9.3523 9.3523 9.3524 9.3823 9.3823 9.8339 9.8453 9.9443 9.9443 11.3311 11.3311 11.3557 11.3629 14.5080 14.5080 17.4689 17.4689 k = 0.3333 0.5774 0.1700 ( 1728 PWs) bands (ev): -2.5074 -2.5074 -2.5011 -2.5009 4.0150 4.0150 4.7026 4.7032 4.7057 4.7057 5.7401 5.7401 6.4925 6.4995 6.5051 6.5051 8.7216 8.7216 8.9041 8.9423 9.0035 9.0035 9.3206 9.3400 9.3400 9.3588 9.3896 9.3896 9.8147 9.8260 9.9255 9.9255 11.3980 11.3980 11.4217 11.4284 14.6328 14.6328 17.3358 17.3358 k = 0.3333 0.5774 0.1806 ( 1719 PWs) bands (ev): -2.5062 -2.5062 -2.4999 -2.4997 4.0558 4.0558 4.6789 4.6794 4.6819 4.6819 5.6729 5.6729 6.5149 6.5215 6.5273 6.5273 8.7366 8.7366 8.9006 8.9360 8.9949 8.9949 9.3238 9.3238 9.3297 9.3657 9.4003 9.4003 9.7963 9.8076 9.9076 9.9076 11.4649 11.4649 11.4876 11.4938 14.7625 14.7625 17.2062 17.2062 k = 0.3333 0.5774 0.1912 ( 1719 PWs) bands (ev): -2.5051 -2.5051 -2.4987 -2.4986 4.0989 4.0989 4.6563 4.6568 4.6591 4.6591 5.6043 5.6043 6.5362 6.5423 6.5483 6.5483 8.7521 8.7521 8.8970 8.9295 8.9871 8.9871 9.3060 9.3060 9.3392 9.3731 9.4119 9.4119 9.7784 9.7897 9.8902 9.8902 11.5312 11.5312 11.5529 11.5587 14.8967 14.8967 17.0810 17.0810 k = 0.3333 0.5774 0.2019 ( 1719 PWs) bands (ev): -2.5040 -2.5040 -2.4976 -2.4975 4.1441 4.1441 4.6350 4.6353 4.6376 4.6376 5.5348 5.5348 6.5562 6.5619 6.5681 6.5681 8.7677 8.7677 8.8935 8.9230 8.9801 8.9801 9.2872 9.2872 9.3491 9.3808 9.4238 9.4238 9.7613 9.7725 9.8735 9.8735 11.5963 11.5963 11.6171 11.6224 15.0350 15.0350 16.9609 16.9609 k = 0.3333 0.5774 0.2125 ( 1719 PWs) bands (ev): -2.5029 -2.5029 -2.4965 -2.4964 4.1915 4.1915 4.6150 4.6153 4.6175 4.6175 5.4645 5.4645 6.5749 6.5802 6.5866 6.5866 8.7833 8.7833 8.8900 8.9167 8.9743 8.9743 9.2676 9.2676 9.3592 9.3888 9.4358 9.4358 9.7448 9.7559 9.8575 9.8575 11.6597 11.6597 11.6795 11.6843 15.1770 15.1770 16.8467 16.8467 k = 0.3333 0.5774 0.2231 ( 1725 PWs) bands (ev): -2.5019 -2.5019 -2.4956 -2.4955 4.2409 4.2409 4.5966 4.5969 4.5989 4.5989 5.3938 5.3938 6.5922 6.5969 6.6036 6.6036 8.7984 8.7984 8.8866 8.9105 8.9701 8.9701 9.2475 9.2475 9.3695 9.3969 9.4476 9.4476 9.7292 9.7401 9.8422 9.8422 11.7206 11.7206 11.7394 11.7438 15.3222 15.3222 16.7394 16.7394 k = 0.3333 0.5774 0.2337 ( 1719 PWs) bands (ev): -2.5010 -2.5010 -2.4946 -2.4945 4.2924 4.2924 4.5798 4.5801 4.5820 4.5820 5.3228 5.3228 6.6080 6.6123 6.6191 6.6191 8.8127 8.8127 8.8836 8.9047 8.9678 8.9678 9.2270 9.2270 9.3799 9.4050 9.4592 9.4592 9.7145 9.7251 9.8278 9.8278 11.7783 11.7783 11.7962 11.8001 15.4702 15.4702 16.6399 16.6399 k = 0.3333 0.5774 0.2444 ( 1719 PWs) bands (ev): -2.5001 -2.5001 -2.4938 -2.4937 4.3458 4.3458 4.5648 4.5650 4.5669 4.5669 5.2518 5.2518 6.6221 6.6259 6.6330 6.6330 8.8257 8.8257 8.8808 8.8992 8.9680 8.9680 9.2061 9.2061 9.3902 9.4129 9.4703 9.4703 9.7009 9.7111 9.8144 9.8144 11.8319 11.8319 11.8489 11.8524 15.6203 15.6203 16.5491 16.5491 k = 0.3333 0.5774 0.2550 ( 1701 PWs) bands (ev): -2.4993 -2.4993 -2.4930 -2.4929 4.4012 4.4012 4.5517 4.5519 4.5537 4.5537 5.1810 5.1810 6.6346 6.6379 6.6452 6.6452 8.8369 8.8369 8.8786 8.8942 8.9712 8.9712 9.1851 9.1851 9.4003 9.4206 9.4809 9.4809 9.6887 9.6983 9.8023 9.8023 11.8807 11.8807 11.8970 11.9000 15.7722 15.7722 16.4679 16.4679 k = 0.3333 0.5774 0.2656 ( 1698 PWs) bands (ev): -2.4987 -2.4987 -2.4923 -2.4923 4.4583 4.4583 4.5405 4.5406 4.5424 4.5424 5.1106 5.1106 6.6453 6.6480 6.6556 6.6556 8.8457 8.8457 8.8767 8.8897 8.9777 8.9777 9.1639 9.1639 9.4098 9.4274 9.4905 9.4905 9.6776 9.6864 9.7912 9.7912 11.9238 11.9238 11.9394 11.9419 15.9252 15.9252 16.3974 16.3974 k = 0.3333 0.5774 0.2762 ( 1713 PWs) bands (ev): -2.4982 -2.4982 -2.4918 -2.4918 4.5168 4.5168 4.5311 4.5312 4.5333 4.5333 5.0408 5.0408 6.6540 6.6562 6.6640 6.6640 8.8519 8.8519 8.8750 8.8854 8.9872 8.9872 9.1429 9.1429 9.4185 9.4332 9.4988 9.4988 9.6682 9.6758 9.7816 9.7816 11.9603 11.9603 11.9753 11.9773 16.0783 16.0783 16.3386 16.3386 k = 0.3333 0.5774 0.2869 ( 1713 PWs) bands (ev): -2.4977 -2.4977 -2.4914 -2.4913 4.5239 4.5239 4.5255 4.5255 4.5777 4.5777 4.9717 4.9717 6.6609 6.6626 6.6707 6.6707 8.8562 8.8562 8.8741 8.8819 8.9996 8.9996 9.1223 9.1223 9.4263 9.4377 9.5058 9.5058 9.6607 9.6669 9.7737 9.7737 11.9897 11.9897 12.0042 12.0058 16.2281 16.2281 16.2954 16.2954 k = 0.3333 0.5774 0.2975 ( 1713 PWs) bands (ev): -2.4974 -2.4974 -2.4911 -2.4910 4.5186 4.5187 4.5203 4.5203 4.6395 4.6395 4.9036 4.9036 6.6660 6.6671 6.6755 6.6755 8.8587 8.8587 8.8739 8.8790 9.0138 9.0138 9.1027 9.1027 9.4328 9.4407 9.5111 9.5111 9.6555 9.6599 9.7678 9.7678 12.0111 12.0111 12.0254 12.0265 16.2536 16.2536 16.3156 16.3159 k = 0.3333 0.5774 0.3081 ( 1710 PWs) bands (ev): -2.4972 -2.4972 -2.4909 -2.4909 4.5155 4.5155 4.5171 4.5171 4.7022 4.7022 4.8372 4.8372 6.6692 6.6697 6.6784 6.6784 8.8601 8.8601 8.8742 8.8768 9.0277 9.0277 9.0859 9.0859 9.4377 9.4417 9.5144 9.5144 9.6527 9.6550 9.7642 9.7642 12.0242 12.0242 12.0385 12.0390 16.2342 16.2342 16.2954 16.2955 k = 0.3333 0.5774 0.3187 ( 1704 PWs) bands (ev): -2.4972 -2.4972 -2.4908 -2.4908 4.5145 4.5145 4.5161 4.5161 4.7532 4.7532 4.7849 4.7849 6.6705 6.6705 6.6794 6.6794 8.8606 8.8606 8.8752 8.8752 9.0349 9.0349 9.0780 9.0780 9.4408 9.4408 9.5155 9.5155 9.6526 9.6526 9.7630 9.7630 12.0287 12.0287 12.0431 12.0431 16.2274 16.2274 16.2886 16.2886 Writing output data file NiS.save init_run : 3.16s CPU 13.67s WALL ( 1 calls) electrons : 422.77s CPU 434.77s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.45s CPU 1.58s WALL ( 1 calls) Called by electrons: c_bands : 422.71s CPU 434.43s WALL ( 1 calls) v_of_rho : 0.13s CPU 0.88s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.12s CPU 0.56s WALL ( 1 calls) newd : 0.43s CPU 0.55s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.17s WALL ( 389 calls) cegterg : 315.44s CPU 319.86s WALL ( 679 calls) Called by sum_band: Called by *egterg: h_psi : 121.78s CPU 130.06s WALL ( 11908 calls) s_psi : 20.86s CPU 21.61s WALL ( 11908 calls) g_psi : 0.19s CPU 0.32s WALL ( 10840 calls) cdiaghg : 134.52s CPU 132.45s WALL ( 11229 calls) cegterg:over : 27.32s CPU 24.08s WALL ( 10840 calls) cegterg:upda : 1.64s CPU 3.63s WALL ( 10840 calls) cegterg:last : 1.97s CPU 2.74s WALL ( 2038 calls) Called by h_psi: h_psi:vloc : 82.37s CPU 88.19s WALL ( 11908 calls) h_psi:vnl : 39.35s CPU 41.65s WALL ( 11908 calls) add_vuspsi : 12.11s CPU 15.49s WALL ( 11908 calls) General routines calbec : 27.22s CPU 26.01s WALL ( 11908 calls) fft : 0.50s CPU 1.50s WALL ( 19 calls) ffts : 0.08s CPU 0.08s WALL ( 4 calls) fftw : 78.23s CPU 83.50s WALL ( 1009016 calls) interpolate : 0.23s CPU 0.23s WALL ( 4 calls) davcio : 0.02s CPU 5.21s WALL ( 778 calls) Parallel routines fft_scatter : 57.15s CPU 60.27s WALL ( 1009039 calls) PWSCF : 7m51.03s CPU 10m17.78s WALL This run was terminated on: 4: 6:27 29Jun2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=