Program PWSCF v.5.1.1 starts on 9Oct2015 at 14:56:11 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: ./TaInSe2.save/ file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D 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 16 10 3 866 460 75 Max 17 11 4 880 487 86 Sum 769 511 151 41949 22741 3787 bravais-lattice index = 14 lattice parameter (alat) = 6.5007 a.u. unit-cell volume = 576.0883 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 38.00 number of Kohn-Sham states= 46 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 265.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.500657 celldm(2)= 1.000000 celldm(3)= 2.421512 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 2.421512 ) 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 0.412965 ) PseudoPot. # 1 for In read from file: /home/autes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1241 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 Se read from file: /home/autes/Pseudo/Se_MT_PBE.UPF MD5 check sum: 8b5aa0a73ac3f20b8f2ba32420215307 Pseudo is Norm-conserving, Zval = 6.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1211 points, 3 beta functions with: l(1) = 0 l(2) = 1 l(3) = 1 PseudoPot. # 3 for Ta read from file: /home/autes/Pseudo/Ta.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: ce7a4fa75595c0f83f911fa846a48acf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1273 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 In 13.00 114.81800 In( 1.00) Se 6.00 78.96000 Se( 1.00) Ta 13.00 180.94790 Ta( 1.00) 12 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,1,0] cryst. s( 2) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.5000000 -0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [2,1,0] cryst. s( 6) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 7) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 7) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 9) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s(10) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3h (-62m) there are 9 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3C2' s_h 2S3 -2S3 3s_v -3C2' -s_h' -3s_v G_7 2.00 -2.00 1.00 -1.00 0.00 0.00 1.73 -1.73 0.00 G_8 2.00 -2.00 1.00 -1.00 0.00 0.00 -1.73 1.73 0.00 G_9 2.00 -2.00 -2.00 2.00 0.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 3C2'-3C2' 2 -6 -5 -2 5 6 2C3 3 4 3s_v-3s_v 7 -7 3s_v-3s_v 8 -8 11 -12 -11 12 2S3 9 10 -E -1 -2C3 -3 -4 -2S3 -9 -10 Cartesian axes number of k points= 356 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 2) = ( 0.0094340 0.0054467 -0.0000000), wk = 0.0028090 k( 3) = ( 0.0188679 0.0108934 -0.0000000), wk = 0.0028090 k( 4) = ( 0.0283019 0.0163401 -0.0000000), wk = 0.0028090 k( 5) = ( 0.0377359 0.0217868 -0.0000000), wk = 0.0028090 k( 6) = ( 0.0471698 0.0272335 -0.0000000), wk = 0.0028090 k( 7) = ( 0.0566038 0.0326802 -0.0000000), wk = 0.0028090 k( 8) = ( 0.0660377 0.0381269 -0.0000000), wk = 0.0028090 k( 9) = ( 0.0754717 0.0435736 -0.0000000), wk = 0.0028090 k( 10) = ( 0.0849057 0.0490203 -0.0000000), wk = 0.0028090 k( 11) = ( 0.0943396 0.0544670 -0.0000000), wk = 0.0028090 k( 12) = ( 0.1037736 0.0599137 -0.0000000), wk = 0.0028090 k( 13) = ( 0.1132076 0.0653604 -0.0000000), wk = 0.0028090 k( 14) = ( 0.1226415 0.0708071 -0.0000000), wk = 0.0028090 k( 15) = ( 0.1320755 0.0762538 -0.0000000), wk = 0.0028090 k( 16) = ( 0.1415094 0.0817005 -0.0000000), wk = 0.0028090 k( 17) = ( 0.1509434 0.0871472 -0.0000000), wk = 0.0028090 k( 18) = ( 0.1603774 0.0925939 -0.0000000), wk = 0.0028090 k( 19) = ( 0.1698113 0.0980406 -0.0000000), wk = 0.0028090 k( 20) = ( 0.1792453 0.1034873 -0.0000000), wk = 0.0028090 k( 21) = ( 0.1886792 0.1089340 -0.0000000), wk = 0.0028090 k( 22) = ( 0.1981132 0.1143807 -0.0000000), wk = 0.0028090 k( 23) = ( 0.2075472 0.1198274 -0.0000000), wk = 0.0028090 k( 24) = ( 0.2169811 0.1252741 -0.0000000), wk = 0.0028090 k( 25) = ( 0.2264151 0.1307208 -0.0000000), wk = 0.0028090 k( 26) = ( 0.2358491 0.1361675 -0.0000000), wk = 0.0028090 k( 27) = ( 0.2452830 0.1416142 -0.0000000), wk = 0.0028090 k( 28) = ( 0.2547170 0.1470609 -0.0000000), wk = 0.0028090 k( 29) = ( 0.2641509 0.1525076 -0.0000000), wk = 0.0028090 k( 30) = ( 0.2735849 0.1579543 -0.0000000), wk = 0.0028090 k( 31) = ( 0.2830189 0.1634010 -0.0000000), wk = 0.0028090 k( 32) = ( 0.2924528 0.1688477 -0.0000000), wk = 0.0028090 k( 33) = ( 0.3018868 0.1742944 -0.0000000), wk = 0.0028090 k( 34) = ( 0.3113207 0.1797411 -0.0000000), wk = 0.0028090 k( 35) = ( 0.3207547 0.1851878 -0.0000000), wk = 0.0028090 k( 36) = ( 0.3301887 0.1906345 -0.0000000), wk = 0.0028090 k( 37) = ( 0.3396226 0.1960812 -0.0000000), wk = 0.0028090 k( 38) = ( 0.3490566 0.2015279 -0.0000000), wk = 0.0028090 k( 39) = ( 0.3584906 0.2069746 -0.0000000), wk = 0.0028090 k( 40) = ( 0.3679245 0.2124213 -0.0000000), wk = 0.0028090 k( 41) = ( 0.3773585 0.2178680 -0.0000000), wk = 0.0028090 k( 42) = ( 0.3867925 0.2233147 -0.0000000), wk = 0.0028090 k( 43) = ( 0.3962264 0.2287614 -0.0000000), wk = 0.0028090 k( 44) = ( 0.4056604 0.2342081 -0.0000000), wk = 0.0028090 k( 45) = ( 0.4150943 0.2396548 -0.0000000), wk = 0.0028090 k( 46) = ( 0.4245283 0.2451015 -0.0000000), wk = 0.0028090 k( 47) = ( 0.4339623 0.2505482 -0.0000000), wk = 0.0028090 k( 48) = ( 0.4433962 0.2559949 -0.0000000), wk = 0.0028090 k( 49) = ( 0.4528302 0.2614416 -0.0000000), wk = 0.0028090 k( 50) = ( 0.4622641 0.2668883 -0.0000000), wk = 0.0028090 k( 51) = ( 0.4716981 0.2723350 -0.0000000), wk = 0.0028090 k( 52) = ( 0.4811321 0.2777817 -0.0000000), wk = 0.0028090 k( 53) = ( 0.4905660 0.2832284 -0.0000000), wk = 0.0028090 k( 54) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028090 k( 55) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028090 k( 56) = ( 0.4946237 0.2979872 -0.0000000), wk = 0.0028090 k( 57) = ( 0.4892473 0.3072993 -0.0000000), wk = 0.0028090 k( 58) = ( 0.4838710 0.3166114 -0.0000000), wk = 0.0028090 k( 59) = ( 0.4784946 0.3259235 -0.0000000), wk = 0.0028090 k( 60) = ( 0.4731183 0.3352356 -0.0000000), wk = 0.0028090 k( 61) = ( 0.4677419 0.3445477 -0.0000000), wk = 0.0028090 k( 62) = ( 0.4623656 0.3538598 -0.0000000), wk = 0.0028090 k( 63) = ( 0.4569893 0.3631720 -0.0000000), wk = 0.0028090 k( 64) = ( 0.4516129 0.3724840 -0.0000000), wk = 0.0028090 k( 65) = ( 0.4462366 0.3817961 -0.0000000), wk = 0.0028090 k( 66) = ( 0.4408602 0.3911082 -0.0000000), wk = 0.0028090 k( 67) = ( 0.4354839 0.4004203 -0.0000000), wk = 0.0028090 k( 68) = ( 0.4301075 0.4097325 -0.0000000), wk = 0.0028090 k( 69) = ( 0.4247312 0.4190445 -0.0000000), wk = 0.0028090 k( 70) = ( 0.4193548 0.4283566 -0.0000000), wk = 0.0028090 k( 71) = ( 0.4139785 0.4376687 -0.0000000), wk = 0.0028090 k( 72) = ( 0.4086021 0.4469809 -0.0000000), wk = 0.0028090 k( 73) = ( 0.4032258 0.4562930 -0.0000000), wk = 0.0028090 k( 74) = ( 0.3978495 0.4656051 -0.0000000), wk = 0.0028090 k( 75) = ( 0.3924731 0.4749172 -0.0000000), wk = 0.0028090 k( 76) = ( 0.3870968 0.4842293 -0.0000000), wk = 0.0028090 k( 77) = ( 0.3817204 0.4935414 -0.0000000), wk = 0.0028090 k( 78) = ( 0.3763441 0.5028535 -0.0000000), wk = 0.0028090 k( 79) = ( 0.3709677 0.5121656 -0.0000000), wk = 0.0028090 k( 80) = ( 0.3655914 0.5214777 -0.0000000), wk = 0.0028090 k( 81) = ( 0.3602150 0.5307898 -0.0000000), wk = 0.0028090 k( 82) = ( 0.3548387 0.5401019 -0.0000000), wk = 0.0028090 k( 83) = ( 0.3494624 0.5494140 -0.0000000), wk = 0.0028090 k( 84) = ( 0.3440860 0.5587261 -0.0000000), wk = 0.0028090 k( 85) = ( 0.3387097 0.5680382 -0.0000000), wk = 0.0028090 k( 86) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028090 k( 87) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028090 k( 88) = ( 0.3278688 0.5678855 -0.0000000), wk = 0.0028090 k( 89) = ( 0.3224044 0.5584207 -0.0000000), wk = 0.0028090 k( 90) = ( 0.3169399 0.5489560 -0.0000000), wk = 0.0028090 k( 91) = ( 0.3114754 0.5394912 -0.0000000), wk = 0.0028090 k( 92) = ( 0.3060109 0.5300265 -0.0000000), wk = 0.0028090 k( 93) = ( 0.3005465 0.5205617 -0.0000000), wk = 0.0028090 k( 94) = ( 0.2950820 0.5110970 -0.0000000), wk = 0.0028090 k( 95) = ( 0.2896175 0.5016322 -0.0000000), wk = 0.0028090 k( 96) = ( 0.2841530 0.4921675 -0.0000000), wk = 0.0028090 k( 97) = ( 0.2786885 0.4827027 -0.0000000), wk = 0.0028090 k( 98) = ( 0.2732240 0.4732379 -0.0000000), wk = 0.0028090 k( 99) = ( 0.2677596 0.4637732 -0.0000000), wk = 0.0028090 k( 100) = ( 0.2622951 0.4543084 -0.0000000), wk = 0.0028090 k( 101) = ( 0.2568306 0.4448436 -0.0000000), wk = 0.0028090 k( 102) = ( 0.2513661 0.4353789 -0.0000000), wk = 0.0028090 k( 103) = ( 0.2459016 0.4259141 -0.0000000), wk = 0.0028090 k( 104) = ( 0.2404372 0.4164494 -0.0000000), wk = 0.0028090 k( 105) = ( 0.2349727 0.4069846 -0.0000000), wk = 0.0028090 k( 106) = ( 0.2295082 0.3975199 -0.0000000), wk = 0.0028090 k( 107) = ( 0.2240437 0.3880551 -0.0000000), wk = 0.0028090 k( 108) = ( 0.2185792 0.3785903 -0.0000000), wk = 0.0028090 k( 109) = ( 0.2131147 0.3691256 -0.0000000), wk = 0.0028090 k( 110) = ( 0.2076503 0.3596608 -0.0000000), wk = 0.0028090 k( 111) = ( 0.2021858 0.3501961 -0.0000000), wk = 0.0028090 k( 112) = ( 0.1967213 0.3407313 -0.0000000), wk = 0.0028090 k( 113) = ( 0.1912568 0.3312665 -0.0000000), wk = 0.0028090 k( 114) = ( 0.1857923 0.3218018 -0.0000000), wk = 0.0028090 k( 115) = ( 0.1803279 0.3123370 -0.0000000), wk = 0.0028090 k( 116) = ( 0.1748634 0.3028723 -0.0000000), wk = 0.0028090 k( 117) = ( 0.1693989 0.2934075 -0.0000000), wk = 0.0028090 k( 118) = ( 0.1639344 0.2839428 -0.0000000), wk = 0.0028090 k( 119) = ( 0.1584699 0.2744780 -0.0000000), wk = 0.0028090 k( 120) = ( 0.1530055 0.2650132 -0.0000000), wk = 0.0028090 k( 121) = ( 0.1475410 0.2555485 -0.0000000), wk = 0.0028090 k( 122) = ( 0.1420765 0.2460837 -0.0000000), wk = 0.0028090 k( 123) = ( 0.1366120 0.2366190 -0.0000000), wk = 0.0028090 k( 124) = ( 0.1311475 0.2271542 -0.0000000), wk = 0.0028090 k( 125) = ( 0.1256831 0.2176894 -0.0000000), wk = 0.0028090 k( 126) = ( 0.1202186 0.2082247 -0.0000000), wk = 0.0028090 k( 127) = ( 0.1147541 0.1987599 -0.0000000), wk = 0.0028090 k( 128) = ( 0.1092896 0.1892952 -0.0000000), wk = 0.0028090 k( 129) = ( 0.1038251 0.1798304 -0.0000000), wk = 0.0028090 k( 130) = ( 0.0983607 0.1703657 -0.0000000), wk = 0.0028090 k( 131) = ( 0.0928962 0.1609009 -0.0000000), wk = 0.0028090 k( 132) = ( 0.0874317 0.1514361 -0.0000000), wk = 0.0028090 k( 133) = ( 0.0819672 0.1419714 -0.0000000), wk = 0.0028090 k( 134) = ( 0.0765027 0.1325066 -0.0000000), wk = 0.0028090 k( 135) = ( 0.0710382 0.1230419 -0.0000000), wk = 0.0028090 k( 136) = ( 0.0655738 0.1135771 -0.0000000), wk = 0.0028090 k( 137) = ( 0.0601093 0.1041123 -0.0000000), wk = 0.0028090 k( 138) = ( 0.0546448 0.0946476 -0.0000000), wk = 0.0028090 k( 139) = ( 0.0491803 0.0851828 -0.0000000), wk = 0.0028090 k( 140) = ( 0.0437159 0.0757181 -0.0000000), wk = 0.0028090 k( 141) = ( 0.0382514 0.0662533 -0.0000000), wk = 0.0028090 k( 142) = ( 0.0327869 0.0567886 -0.0000000), wk = 0.0028090 k( 143) = ( 0.0273224 0.0473238 -0.0000000), wk = 0.0028090 k( 144) = ( 0.0218579 0.0378590 -0.0000000), wk = 0.0028090 k( 145) = ( 0.0163934 0.0283943 -0.0000000), wk = 0.0028090 k( 146) = ( 0.0109290 0.0189295 -0.0000000), wk = 0.0028090 k( 147) = ( 0.0054645 0.0094648 -0.0000000), wk = 0.0028090 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 150) = ( 0.0000000 0.0000000 0.0108675), wk = 0.0028090 k( 151) = ( 0.0000000 0.0000000 0.0217350), wk = 0.0028090 k( 152) = ( 0.0000000 0.0000000 0.0326025), wk = 0.0028090 k( 153) = ( 0.0000000 0.0000000 0.0434700), wk = 0.0028090 k( 154) = ( 0.0000000 0.0000000 0.0543375), wk = 0.0028090 k( 155) = ( 0.0000000 0.0000000 0.0652050), wk = 0.0028090 k( 156) = ( 0.0000000 0.0000000 0.0760725), wk = 0.0028090 k( 157) = ( 0.0000000 0.0000000 0.0869400), wk = 0.0028090 k( 158) = ( 0.0000000 0.0000000 0.0978075), wk = 0.0028090 k( 159) = ( 0.0000000 0.0000000 0.1086750), wk = 0.0028090 k( 160) = ( 0.0000000 0.0000000 0.1195426), wk = 0.0028090 k( 161) = ( 0.0000000 0.0000000 0.1304101), wk = 0.0028090 k( 162) = ( 0.0000000 0.0000000 0.1412776), wk = 0.0028090 k( 163) = ( 0.0000000 0.0000000 0.1521451), wk = 0.0028090 k( 164) = ( 0.0000000 0.0000000 0.1630126), wk = 0.0028090 k( 165) = ( 0.0000000 0.0000000 0.1738801), wk = 0.0028090 k( 166) = ( 0.0000000 0.0000000 0.1847476), wk = 0.0028090 k( 167) = ( 0.0000000 0.0000000 0.1956151), wk = 0.0028090 k( 168) = ( 0.0000000 0.0000000 0.2064826), wk = 0.0028090 k( 169) = ( 0.0000000 0.0000000 0.2064826), wk = 0.0028090 k( 170) = ( 0.0094340 0.0054467 0.2064826), wk = 0.0028090 k( 171) = ( 0.0188679 0.0108934 0.2064826), wk = 0.0028090 k( 172) = ( 0.0283019 0.0163401 0.2064826), wk = 0.0028090 k( 173) = ( 0.0377359 0.0217868 0.2064826), wk = 0.0028090 k( 174) = ( 0.0471698 0.0272335 0.2064826), wk = 0.0028090 k( 175) = ( 0.0566038 0.0326802 0.2064826), wk = 0.0028090 k( 176) = ( 0.0660377 0.0381269 0.2064826), wk = 0.0028090 k( 177) = ( 0.0754717 0.0435736 0.2064826), wk = 0.0028090 k( 178) = ( 0.0849057 0.0490203 0.2064826), wk = 0.0028090 k( 179) = ( 0.0943396 0.0544670 0.2064826), wk = 0.0028090 k( 180) = ( 0.1037736 0.0599137 0.2064826), wk = 0.0028090 k( 181) = ( 0.1132076 0.0653604 0.2064826), wk = 0.0028090 k( 182) = ( 0.1226415 0.0708071 0.2064826), wk = 0.0028090 k( 183) = ( 0.1320755 0.0762538 0.2064826), wk = 0.0028090 k( 184) = ( 0.1415094 0.0817005 0.2064826), wk = 0.0028090 k( 185) = ( 0.1509434 0.0871472 0.2064826), wk = 0.0028090 k( 186) = ( 0.1603774 0.0925939 0.2064826), wk = 0.0028090 k( 187) = ( 0.1698113 0.0980406 0.2064826), wk = 0.0028090 k( 188) = ( 0.1792453 0.1034873 0.2064826), wk = 0.0028090 k( 189) = ( 0.1886792 0.1089340 0.2064826), wk = 0.0028090 k( 190) = ( 0.1981132 0.1143807 0.2064826), wk = 0.0028090 k( 191) = ( 0.2075472 0.1198274 0.2064826), wk = 0.0028090 k( 192) = ( 0.2169811 0.1252741 0.2064826), wk = 0.0028090 k( 193) = ( 0.2264151 0.1307208 0.2064826), wk = 0.0028090 k( 194) = ( 0.2358491 0.1361675 0.2064826), wk = 0.0028090 k( 195) = ( 0.2452830 0.1416142 0.2064826), wk = 0.0028090 k( 196) = ( 0.2547170 0.1470609 0.2064826), wk = 0.0028090 k( 197) = ( 0.2641509 0.1525076 0.2064826), wk = 0.0028090 k( 198) = ( 0.2735849 0.1579543 0.2064826), wk = 0.0028090 k( 199) = ( 0.2830189 0.1634010 0.2064826), wk = 0.0028090 k( 200) = ( 0.2924528 0.1688477 0.2064826), wk = 0.0028090 k( 201) = ( 0.3018868 0.1742944 0.2064826), wk = 0.0028090 k( 202) = ( 0.3113207 0.1797411 0.2064826), wk = 0.0028090 k( 203) = ( 0.3207547 0.1851878 0.2064826), wk = 0.0028090 k( 204) = ( 0.3301887 0.1906345 0.2064826), wk = 0.0028090 k( 205) = ( 0.3396226 0.1960812 0.2064826), wk = 0.0028090 k( 206) = ( 0.3490566 0.2015279 0.2064826), wk = 0.0028090 k( 207) = ( 0.3584906 0.2069746 0.2064826), wk = 0.0028090 k( 208) = ( 0.3679245 0.2124213 0.2064826), wk = 0.0028090 k( 209) = ( 0.3773585 0.2178680 0.2064826), wk = 0.0028090 k( 210) = ( 0.3867925 0.2233147 0.2064826), wk = 0.0028090 k( 211) = ( 0.3962264 0.2287614 0.2064826), wk = 0.0028090 k( 212) = ( 0.4056604 0.2342081 0.2064826), wk = 0.0028090 k( 213) = ( 0.4150943 0.2396548 0.2064826), wk = 0.0028090 k( 214) = ( 0.4245283 0.2451015 0.2064826), wk = 0.0028090 k( 215) = ( 0.4339623 0.2505482 0.2064826), wk = 0.0028090 k( 216) = ( 0.4433962 0.2559949 0.2064826), wk = 0.0028090 k( 217) = ( 0.4528302 0.2614416 0.2064826), wk = 0.0028090 k( 218) = ( 0.4622641 0.2668883 0.2064826), wk = 0.0028090 k( 219) = ( 0.4716981 0.2723350 0.2064826), wk = 0.0028090 k( 220) = ( 0.4811321 0.2777817 0.2064826), wk = 0.0028090 k( 221) = ( 0.4905660 0.2832284 0.2064826), wk = 0.0028090 k( 222) = ( 0.5000000 0.2886751 0.2064826), wk = 0.0028090 k( 223) = ( 0.5000000 0.2886751 0.2064826), wk = 0.0028090 k( 224) = ( 0.4946237 0.2979872 0.2064826), wk = 0.0028090 k( 225) = ( 0.4892473 0.3072993 0.2064826), wk = 0.0028090 k( 226) = ( 0.4838710 0.3166114 0.2064826), wk = 0.0028090 k( 227) = ( 0.4784946 0.3259235 0.2064826), wk = 0.0028090 k( 228) = ( 0.4731183 0.3352356 0.2064826), wk = 0.0028090 k( 229) = ( 0.4677419 0.3445477 0.2064826), wk = 0.0028090 k( 230) = ( 0.4623656 0.3538598 0.2064826), wk = 0.0028090 k( 231) = ( 0.4569893 0.3631720 0.2064826), wk = 0.0028090 k( 232) = ( 0.4516129 0.3724840 0.2064826), wk = 0.0028090 k( 233) = ( 0.4462366 0.3817961 0.2064826), wk = 0.0028090 k( 234) = ( 0.4408602 0.3911082 0.2064826), wk = 0.0028090 k( 235) = ( 0.4354839 0.4004203 0.2064826), wk = 0.0028090 k( 236) = ( 0.4301075 0.4097325 0.2064826), wk = 0.0028090 k( 237) = ( 0.4247312 0.4190445 0.2064826), wk = 0.0028090 k( 238) = ( 0.4193548 0.4283566 0.2064826), wk = 0.0028090 k( 239) = ( 0.4139785 0.4376687 0.2064826), wk = 0.0028090 k( 240) = ( 0.4086021 0.4469809 0.2064826), wk = 0.0028090 k( 241) = ( 0.4032258 0.4562930 0.2064826), wk = 0.0028090 k( 242) = ( 0.3978495 0.4656051 0.2064826), wk = 0.0028090 k( 243) = ( 0.3924731 0.4749172 0.2064826), wk = 0.0028090 k( 244) = ( 0.3870968 0.4842293 0.2064826), wk = 0.0028090 k( 245) = ( 0.3817204 0.4935414 0.2064826), wk = 0.0028090 k( 246) = ( 0.3763441 0.5028535 0.2064826), wk = 0.0028090 k( 247) = ( 0.3709677 0.5121656 0.2064826), wk = 0.0028090 k( 248) = ( 0.3655914 0.5214777 0.2064826), wk = 0.0028090 k( 249) = ( 0.3602150 0.5307898 0.2064826), wk = 0.0028090 k( 250) = ( 0.3548387 0.5401019 0.2064826), wk = 0.0028090 k( 251) = ( 0.3494624 0.5494140 0.2064826), wk = 0.0028090 k( 252) = ( 0.3440860 0.5587261 0.2064826), wk = 0.0028090 k( 253) = ( 0.3387097 0.5680382 0.2064826), wk = 0.0028090 k( 254) = ( 0.3333333 0.5773503 0.2064826), wk = 0.0028090 k( 255) = ( 0.3333333 0.5773503 0.2064826), wk = 0.0028090 k( 256) = ( 0.3278688 0.5678855 0.2064826), wk = 0.0028090 k( 257) = ( 0.3224044 0.5584207 0.2064826), wk = 0.0028090 k( 258) = ( 0.3169399 0.5489560 0.2064826), wk = 0.0028090 k( 259) = ( 0.3114754 0.5394912 0.2064826), wk = 0.0028090 k( 260) = ( 0.3060109 0.5300265 0.2064826), wk = 0.0028090 k( 261) = ( 0.3005465 0.5205617 0.2064826), wk = 0.0028090 k( 262) = ( 0.2950820 0.5110970 0.2064826), wk = 0.0028090 k( 263) = ( 0.2896175 0.5016322 0.2064826), wk = 0.0028090 k( 264) = ( 0.2841530 0.4921675 0.2064826), wk = 0.0028090 k( 265) = ( 0.2786885 0.4827027 0.2064826), wk = 0.0028090 k( 266) = ( 0.2732240 0.4732379 0.2064826), wk = 0.0028090 k( 267) = ( 0.2677596 0.4637732 0.2064826), wk = 0.0028090 k( 268) = ( 0.2622951 0.4543084 0.2064826), wk = 0.0028090 k( 269) = ( 0.2568306 0.4448436 0.2064826), wk = 0.0028090 k( 270) = ( 0.2513661 0.4353789 0.2064826), wk = 0.0028090 k( 271) = ( 0.2459016 0.4259141 0.2064826), wk = 0.0028090 k( 272) = ( 0.2404372 0.4164494 0.2064826), wk = 0.0028090 k( 273) = ( 0.2349727 0.4069846 0.2064826), wk = 0.0028090 k( 274) = ( 0.2295082 0.3975199 0.2064826), wk = 0.0028090 k( 275) = ( 0.2240437 0.3880551 0.2064826), wk = 0.0028090 k( 276) = ( 0.2185792 0.3785903 0.2064826), wk = 0.0028090 k( 277) = ( 0.2131147 0.3691256 0.2064826), wk = 0.0028090 k( 278) = ( 0.2076503 0.3596608 0.2064826), wk = 0.0028090 k( 279) = ( 0.2021858 0.3501961 0.2064826), wk = 0.0028090 k( 280) = ( 0.1967213 0.3407313 0.2064826), wk = 0.0028090 k( 281) = ( 0.1912568 0.3312665 0.2064826), wk = 0.0028090 k( 282) = ( 0.1857923 0.3218018 0.2064826), wk = 0.0028090 k( 283) = ( 0.1803279 0.3123370 0.2064826), wk = 0.0028090 k( 284) = ( 0.1748634 0.3028723 0.2064826), wk = 0.0028090 k( 285) = ( 0.1693989 0.2934075 0.2064826), wk = 0.0028090 k( 286) = ( 0.1639344 0.2839428 0.2064826), wk = 0.0028090 k( 287) = ( 0.1584699 0.2744780 0.2064826), wk = 0.0028090 k( 288) = ( 0.1530055 0.2650132 0.2064826), wk = 0.0028090 k( 289) = ( 0.1475410 0.2555485 0.2064826), wk = 0.0028090 k( 290) = ( 0.1420765 0.2460837 0.2064826), wk = 0.0028090 k( 291) = ( 0.1366120 0.2366190 0.2064826), wk = 0.0028090 k( 292) = ( 0.1311475 0.2271542 0.2064826), wk = 0.0028090 k( 293) = ( 0.1256831 0.2176894 0.2064826), wk = 0.0028090 k( 294) = ( 0.1202186 0.2082247 0.2064826), wk = 0.0028090 k( 295) = ( 0.1147541 0.1987599 0.2064826), wk = 0.0028090 k( 296) = ( 0.1092896 0.1892952 0.2064826), wk = 0.0028090 k( 297) = ( 0.1038251 0.1798304 0.2064826), wk = 0.0028090 k( 298) = ( 0.0983607 0.1703657 0.2064826), wk = 0.0028090 k( 299) = ( 0.0928962 0.1609009 0.2064826), wk = 0.0028090 k( 300) = ( 0.0874317 0.1514361 0.2064826), wk = 0.0028090 k( 301) = ( 0.0819672 0.1419714 0.2064826), wk = 0.0028090 k( 302) = ( 0.0765027 0.1325066 0.2064826), wk = 0.0028090 k( 303) = ( 0.0710382 0.1230419 0.2064826), wk = 0.0028090 k( 304) = ( 0.0655738 0.1135771 0.2064826), wk = 0.0028090 k( 305) = ( 0.0601093 0.1041123 0.2064826), wk = 0.0028090 k( 306) = ( 0.0546448 0.0946476 0.2064826), wk = 0.0028090 k( 307) = ( 0.0491803 0.0851828 0.2064826), wk = 0.0028090 k( 308) = ( 0.0437159 0.0757181 0.2064826), wk = 0.0028090 k( 309) = ( 0.0382514 0.0662533 0.2064826), wk = 0.0028090 k( 310) = ( 0.0327869 0.0567886 0.2064826), wk = 0.0028090 k( 311) = ( 0.0273224 0.0473238 0.2064826), wk = 0.0028090 k( 312) = ( 0.0218579 0.0378590 0.2064826), wk = 0.0028090 k( 313) = ( 0.0163934 0.0283943 0.2064826), wk = 0.0028090 k( 314) = ( 0.0109290 0.0189295 0.2064826), wk = 0.0028090 k( 315) = ( 0.0054645 0.0094648 0.2064826), wk = 0.0028090 k( 316) = ( 0.0000000 0.0000000 0.2064826), wk = 0.0028090 k( 317) = ( 0.5000000 0.2886751 0.2064826), wk = 0.0028090 k( 318) = ( 0.5000000 0.2886751 0.1956151), wk = 0.0028090 k( 319) = ( 0.5000000 0.2886751 0.1847476), wk = 0.0028090 k( 320) = ( 0.5000000 0.2886751 0.1738801), wk = 0.0028090 k( 321) = ( 0.5000000 0.2886751 0.1630126), wk = 0.0028090 k( 322) = ( 0.5000000 0.2886751 0.1521451), wk = 0.0028090 k( 323) = ( 0.5000000 0.2886751 0.1412776), wk = 0.0028090 k( 324) = ( 0.5000000 0.2886751 0.1304101), wk = 0.0028090 k( 325) = ( 0.5000000 0.2886751 0.1195426), wk = 0.0028090 k( 326) = ( 0.5000000 0.2886751 0.1086750), wk = 0.0028090 k( 327) = ( 0.5000000 0.2886751 0.0978075), wk = 0.0028090 k( 328) = ( 0.5000000 0.2886751 0.0869400), wk = 0.0028090 k( 329) = ( 0.5000000 0.2886751 0.0760725), wk = 0.0028090 k( 330) = ( 0.5000000 0.2886751 0.0652050), wk = 0.0028090 k( 331) = ( 0.5000000 0.2886751 0.0543375), wk = 0.0028090 k( 332) = ( 0.5000000 0.2886751 0.0434700), wk = 0.0028090 k( 333) = ( 0.5000000 0.2886751 0.0326025), wk = 0.0028090 k( 334) = ( 0.5000000 0.2886751 0.0217350), wk = 0.0028090 k( 335) = ( 0.5000000 0.2886751 0.0108675), wk = 0.0028090 k( 336) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028090 k( 337) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028090 k( 338) = ( 0.3333333 0.5773503 0.0108675), wk = 0.0028090 k( 339) = ( 0.3333333 0.5773503 0.0217350), wk = 0.0028090 k( 340) = ( 0.3333333 0.5773503 0.0326025), wk = 0.0028090 k( 341) = ( 0.3333333 0.5773503 0.0434700), wk = 0.0028090 k( 342) = ( 0.3333333 0.5773503 0.0543375), wk = 0.0028090 k( 343) = ( 0.3333333 0.5773503 0.0652050), wk = 0.0028090 k( 344) = ( 0.3333333 0.5773503 0.0760725), wk = 0.0028090 k( 345) = ( 0.3333333 0.5773503 0.0869400), wk = 0.0028090 k( 346) = ( 0.3333333 0.5773503 0.0978075), wk = 0.0028090 k( 347) = ( 0.3333333 0.5773503 0.1086750), wk = 0.0028090 k( 348) = ( 0.3333333 0.5773503 0.1195426), wk = 0.0028090 k( 349) = ( 0.3333333 0.5773503 0.1304101), wk = 0.0028090 k( 350) = ( 0.3333333 0.5773503 0.1412776), wk = 0.0028090 k( 351) = ( 0.3333333 0.5773503 0.1521451), wk = 0.0028090 k( 352) = ( 0.3333333 0.5773503 0.1630126), wk = 0.0028090 k( 353) = ( 0.3333333 0.5773503 0.1738801), wk = 0.0028090 k( 354) = ( 0.3333333 0.5773503 0.1847476), wk = 0.0028090 k( 355) = ( 0.3333333 0.5773503 0.1956151), wk = 0.0028090 k( 356) = ( 0.3333333 0.5773503 0.2064826), wk = 0.0028090 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 2) = ( 0.0094340 0.0000000 -0.0000000), wk = 0.0028090 k( 3) = ( 0.0188679 0.0000000 -0.0000000), wk = 0.0028090 k( 4) = ( 0.0283019 0.0000000 0.0000000), wk = 0.0028090 k( 5) = ( 0.0377359 0.0000000 0.0000000), wk = 0.0028090 k( 6) = ( 0.0471698 0.0000000 0.0000000), wk = 0.0028090 k( 7) = ( 0.0566038 0.0000000 0.0000000), wk = 0.0028090 k( 8) = ( 0.0660377 0.0000000 0.0000000), wk = 0.0028090 k( 9) = ( 0.0754717 0.0000000 0.0000000), wk = 0.0028090 k( 10) = ( 0.0849057 0.0000000 0.0000000), wk = 0.0028090 k( 11) = ( 0.0943396 0.0000000 0.0000000), wk = 0.0028090 k( 12) = ( 0.1037736 0.0000000 0.0000000), wk = 0.0028090 k( 13) = ( 0.1132076 0.0000000 0.0000000), wk = 0.0028090 k( 14) = ( 0.1226415 0.0000000 0.0000000), wk = 0.0028090 k( 15) = ( 0.1320755 0.0000000 0.0000000), wk = 0.0028090 k( 16) = ( 0.1415094 0.0000000 0.0000000), wk = 0.0028090 k( 17) = ( 0.1509434 0.0000000 0.0000000), wk = 0.0028090 k( 18) = ( 0.1603774 0.0000000 0.0000000), wk = 0.0028090 k( 19) = ( 0.1698113 0.0000000 0.0000000), wk = 0.0028090 k( 20) = ( 0.1792453 0.0000000 0.0000000), wk = 0.0028090 k( 21) = ( 0.1886792 0.0000000 0.0000000), wk = 0.0028090 k( 22) = ( 0.1981132 0.0000000 0.0000000), wk = 0.0028090 k( 23) = ( 0.2075472 0.0000000 0.0000000), wk = 0.0028090 k( 24) = ( 0.2169811 0.0000000 0.0000000), wk = 0.0028090 k( 25) = ( 0.2264151 0.0000000 0.0000000), wk = 0.0028090 k( 26) = ( 0.2358491 0.0000000 0.0000000), wk = 0.0028090 k( 27) = ( 0.2452830 0.0000000 0.0000000), wk = 0.0028090 k( 28) = ( 0.2547170 0.0000000 0.0000000), wk = 0.0028090 k( 29) = ( 0.2641509 0.0000000 0.0000000), wk = 0.0028090 k( 30) = ( 0.2735849 0.0000000 0.0000000), wk = 0.0028090 k( 31) = ( 0.2830189 0.0000000 0.0000000), wk = 0.0028090 k( 32) = ( 0.2924528 0.0000000 0.0000000), wk = 0.0028090 k( 33) = ( 0.3018868 0.0000000 0.0000000), wk = 0.0028090 k( 34) = ( 0.3113207 0.0000000 0.0000000), wk = 0.0028090 k( 35) = ( 0.3207547 0.0000000 0.0000000), wk = 0.0028090 k( 36) = ( 0.3301887 0.0000000 0.0000000), wk = 0.0028090 k( 37) = ( 0.3396226 0.0000000 0.0000000), wk = 0.0028090 k( 38) = ( 0.3490566 0.0000000 -0.0000000), wk = 0.0028090 k( 39) = ( 0.3584906 0.0000000 0.0000000), wk = 0.0028090 k( 40) = ( 0.3679245 0.0000000 0.0000000), wk = 0.0028090 k( 41) = ( 0.3773585 0.0000000 0.0000000), wk = 0.0028090 k( 42) = ( 0.3867925 0.0000000 0.0000000), wk = 0.0028090 k( 43) = ( 0.3962264 0.0000000 0.0000000), wk = 0.0028090 k( 44) = ( 0.4056604 0.0000000 0.0000000), wk = 0.0028090 k( 45) = ( 0.4150943 0.0000000 0.0000000), wk = 0.0028090 k( 46) = ( 0.4245283 0.0000000 0.0000000), wk = 0.0028090 k( 47) = ( 0.4339623 0.0000000 0.0000000), wk = 0.0028090 k( 48) = ( 0.4433962 0.0000000 0.0000000), wk = 0.0028090 k( 49) = ( 0.4528302 0.0000000 0.0000000), wk = 0.0028090 k( 50) = ( 0.4622641 0.0000000 0.0000000), wk = 0.0028090 k( 51) = ( 0.4716981 0.0000000 0.0000000), wk = 0.0028090 k( 52) = ( 0.4811321 0.0000000 0.0000000), wk = 0.0028090 k( 53) = ( 0.4905660 0.0000000 0.0000000), wk = 0.0028090 k( 54) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028090 k( 55) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028090 k( 56) = ( 0.4946237 0.0107527 0.0000000), wk = 0.0028090 k( 57) = ( 0.4892473 0.0215054 0.0000000), wk = 0.0028090 k( 58) = ( 0.4838710 0.0322581 0.0000000), wk = 0.0028090 k( 59) = ( 0.4784946 0.0430108 0.0000000), wk = 0.0028090 k( 60) = ( 0.4731183 0.0537634 0.0000000), wk = 0.0028090 k( 61) = ( 0.4677419 0.0645161 0.0000000), wk = 0.0028090 k( 62) = ( 0.4623656 0.0752688 0.0000000), wk = 0.0028090 k( 63) = ( 0.4569893 0.0860215 -0.0000000), wk = 0.0028090 k( 64) = ( 0.4516129 0.0967742 0.0000000), wk = 0.0028090 k( 65) = ( 0.4462366 0.1075269 -0.0000000), wk = 0.0028090 k( 66) = ( 0.4408602 0.1182796 0.0000000), wk = 0.0028090 k( 67) = ( 0.4354839 0.1290323 0.0000000), wk = 0.0028090 k( 68) = ( 0.4301075 0.1397850 0.0000000), wk = 0.0028090 k( 69) = ( 0.4247312 0.1505376 0.0000000), wk = 0.0028090 k( 70) = ( 0.4193548 0.1612903 0.0000000), wk = 0.0028090 k( 71) = ( 0.4139785 0.1720430 0.0000000), wk = 0.0028090 k( 72) = ( 0.4086021 0.1827957 0.0000000), wk = 0.0028090 k( 73) = ( 0.4032258 0.1935484 0.0000000), wk = 0.0028090 k( 74) = ( 0.3978495 0.2043011 0.0000000), wk = 0.0028090 k( 75) = ( 0.3924731 0.2150538 0.0000000), wk = 0.0028090 k( 76) = ( 0.3870968 0.2258065 0.0000000), wk = 0.0028090 k( 77) = ( 0.3817204 0.2365591 0.0000000), wk = 0.0028090 k( 78) = ( 0.3763441 0.2473118 0.0000000), wk = 0.0028090 k( 79) = ( 0.3709677 0.2580645 0.0000000), wk = 0.0028090 k( 80) = ( 0.3655914 0.2688172 -0.0000000), wk = 0.0028090 k( 81) = ( 0.3602150 0.2795699 0.0000000), wk = 0.0028090 k( 82) = ( 0.3548387 0.2903226 0.0000000), wk = 0.0028090 k( 83) = ( 0.3494624 0.3010753 0.0000000), wk = 0.0028090 k( 84) = ( 0.3440860 0.3118280 0.0000000), wk = 0.0028090 k( 85) = ( 0.3387097 0.3225807 0.0000000), wk = 0.0028090 k( 86) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0028090 k( 87) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0028090 k( 88) = ( 0.3278688 0.3278689 0.0000000), wk = 0.0028090 k( 89) = ( 0.3224044 0.3224044 0.0000000), wk = 0.0028090 k( 90) = ( 0.3169399 0.3169399 0.0000000), wk = 0.0028090 k( 91) = ( 0.3114754 0.3114754 0.0000000), wk = 0.0028090 k( 92) = ( 0.3060109 0.3060109 0.0000000), wk = 0.0028090 k( 93) = ( 0.3005465 0.3005465 0.0000000), wk = 0.0028090 k( 94) = ( 0.2950820 0.2950820 0.0000000), wk = 0.0028090 k( 95) = ( 0.2896175 0.2896175 0.0000000), wk = 0.0028090 k( 96) = ( 0.2841530 0.2841530 0.0000000), wk = 0.0028090 k( 97) = ( 0.2786885 0.2786885 0.0000000), wk = 0.0028090 k( 98) = ( 0.2732240 0.2732240 0.0000000), wk = 0.0028090 k( 99) = ( 0.2677596 0.2677596 0.0000000), wk = 0.0028090 k( 100) = ( 0.2622951 0.2622951 0.0000000), wk = 0.0028090 k( 101) = ( 0.2568306 0.2568306 0.0000000), wk = 0.0028090 k( 102) = ( 0.2513661 0.2513661 0.0000000), wk = 0.0028090 k( 103) = ( 0.2459016 0.2459016 0.0000000), wk = 0.0028090 k( 104) = ( 0.2404372 0.2404372 0.0000000), wk = 0.0028090 k( 105) = ( 0.2349727 0.2349727 0.0000000), wk = 0.0028090 k( 106) = ( 0.2295082 0.2295082 0.0000000), wk = 0.0028090 k( 107) = ( 0.2240437 0.2240437 -0.0000000), wk = 0.0028090 k( 108) = ( 0.2185792 0.2185792 0.0000000), wk = 0.0028090 k( 109) = ( 0.2131147 0.2131148 0.0000000), wk = 0.0028090 k( 110) = ( 0.2076503 0.2076503 0.0000000), wk = 0.0028090 k( 111) = ( 0.2021858 0.2021858 0.0000000), wk = 0.0028090 k( 112) = ( 0.1967213 0.1967213 0.0000000), wk = 0.0028090 k( 113) = ( 0.1912568 0.1912568 0.0000000), wk = 0.0028090 k( 114) = ( 0.1857923 0.1857923 0.0000000), wk = 0.0028090 k( 115) = ( 0.1803279 0.1803279 0.0000000), wk = 0.0028090 k( 116) = ( 0.1748634 0.1748634 0.0000000), wk = 0.0028090 k( 117) = ( 0.1693989 0.1693989 -0.0000000), wk = 0.0028090 k( 118) = ( 0.1639344 0.1639344 0.0000000), wk = 0.0028090 k( 119) = ( 0.1584699 0.1584700 -0.0000000), wk = 0.0028090 k( 120) = ( 0.1530055 0.1530055 0.0000000), wk = 0.0028090 k( 121) = ( 0.1475410 0.1475410 0.0000000), wk = 0.0028090 k( 122) = ( 0.1420765 0.1420765 -0.0000000), wk = 0.0028090 k( 123) = ( 0.1366120 0.1366120 0.0000000), wk = 0.0028090 k( 124) = ( 0.1311475 0.1311475 0.0000000), wk = 0.0028090 k( 125) = ( 0.1256831 0.1256831 0.0000000), wk = 0.0028090 k( 126) = ( 0.1202186 0.1202186 0.0000000), wk = 0.0028090 k( 127) = ( 0.1147541 0.1147541 0.0000000), wk = 0.0028090 k( 128) = ( 0.1092896 0.1092896 0.0000000), wk = 0.0028090 k( 129) = ( 0.1038251 0.1038251 0.0000000), wk = 0.0028090 k( 130) = ( 0.0983607 0.0983607 0.0000000), wk = 0.0028090 k( 131) = ( 0.0928962 0.0928962 0.0000000), wk = 0.0028090 k( 132) = ( 0.0874317 0.0874317 -0.0000000), wk = 0.0028090 k( 133) = ( 0.0819672 0.0819672 0.0000000), wk = 0.0028090 k( 134) = ( 0.0765027 0.0765027 0.0000000), wk = 0.0028090 k( 135) = ( 0.0710382 0.0710383 -0.0000000), wk = 0.0028090 k( 136) = ( 0.0655738 0.0655738 0.0000000), wk = 0.0028090 k( 137) = ( 0.0601093 0.0601093 0.0000000), wk = 0.0028090 k( 138) = ( 0.0546448 0.0546448 0.0000000), wk = 0.0028090 k( 139) = ( 0.0491803 0.0491803 0.0000000), wk = 0.0028090 k( 140) = ( 0.0437159 0.0437159 0.0000000), wk = 0.0028090 k( 141) = ( 0.0382514 0.0382514 0.0000000), wk = 0.0028090 k( 142) = ( 0.0327869 0.0327869 0.0000000), wk = 0.0028090 k( 143) = ( 0.0273224 0.0273224 0.0000000), wk = 0.0028090 k( 144) = ( 0.0218579 0.0218579 0.0000000), wk = 0.0028090 k( 145) = ( 0.0163934 0.0163934 0.0000000), wk = 0.0028090 k( 146) = ( 0.0109290 0.0109290 0.0000000), wk = 0.0028090 k( 147) = ( 0.0054645 0.0054645 0.0000000), wk = 0.0028090 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 150) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0028090 k( 151) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0028090 k( 152) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0028090 k( 153) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0028090 k( 154) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0028090 k( 155) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0028090 k( 156) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0028090 k( 157) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0028090 k( 158) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0028090 k( 159) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0028090 k( 160) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0028090 k( 161) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0028090 k( 162) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0028090 k( 163) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0028090 k( 164) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0028090 k( 165) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0028090 k( 166) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0028090 k( 167) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0028090 k( 168) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028090 k( 169) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028090 k( 170) = ( 0.0094340 0.0000000 0.5000000), wk = 0.0028090 k( 171) = ( 0.0188679 0.0000000 0.5000000), wk = 0.0028090 k( 172) = ( 0.0283019 0.0000000 0.5000000), wk = 0.0028090 k( 173) = ( 0.0377359 0.0000000 0.5000000), wk = 0.0028090 k( 174) = ( 0.0471698 0.0000000 0.5000000), wk = 0.0028090 k( 175) = ( 0.0566038 0.0000000 0.5000000), wk = 0.0028090 k( 176) = ( 0.0660377 0.0000000 0.5000000), wk = 0.0028090 k( 177) = ( 0.0754717 0.0000000 0.5000000), wk = 0.0028090 k( 178) = ( 0.0849057 0.0000000 0.5000000), wk = 0.0028090 k( 179) = ( 0.0943396 0.0000000 0.5000000), wk = 0.0028090 k( 180) = ( 0.1037736 0.0000000 0.5000000), wk = 0.0028090 k( 181) = ( 0.1132076 0.0000000 0.5000000), wk = 0.0028090 k( 182) = ( 0.1226415 0.0000000 0.5000000), wk = 0.0028090 k( 183) = ( 0.1320755 0.0000000 0.5000000), wk = 0.0028090 k( 184) = ( 0.1415094 0.0000000 0.5000000), wk = 0.0028090 k( 185) = ( 0.1509434 0.0000000 0.5000000), wk = 0.0028090 k( 186) = ( 0.1603774 0.0000000 0.5000000), wk = 0.0028090 k( 187) = ( 0.1698113 0.0000000 0.5000000), wk = 0.0028090 k( 188) = ( 0.1792453 0.0000000 0.5000000), wk = 0.0028090 k( 189) = ( 0.1886792 0.0000000 0.5000000), wk = 0.0028090 k( 190) = ( 0.1981132 0.0000000 0.5000000), wk = 0.0028090 k( 191) = ( 0.2075472 0.0000000 0.5000000), wk = 0.0028090 k( 192) = ( 0.2169811 0.0000000 0.5000000), wk = 0.0028090 k( 193) = ( 0.2264151 0.0000000 0.5000000), wk = 0.0028090 k( 194) = ( 0.2358491 0.0000000 0.5000000), wk = 0.0028090 k( 195) = ( 0.2452830 0.0000000 0.5000000), wk = 0.0028090 k( 196) = ( 0.2547170 0.0000000 0.5000000), wk = 0.0028090 k( 197) = ( 0.2641509 0.0000000 0.5000000), wk = 0.0028090 k( 198) = ( 0.2735849 0.0000000 0.5000000), wk = 0.0028090 k( 199) = ( 0.2830189 0.0000000 0.5000000), wk = 0.0028090 k( 200) = ( 0.2924528 0.0000000 0.5000000), wk = 0.0028090 k( 201) = ( 0.3018868 0.0000000 0.5000000), wk = 0.0028090 k( 202) = ( 0.3113207 0.0000000 0.5000000), wk = 0.0028090 k( 203) = ( 0.3207547 0.0000000 0.5000000), wk = 0.0028090 k( 204) = ( 0.3301887 0.0000000 0.5000000), wk = 0.0028090 k( 205) = ( 0.3396226 0.0000000 0.5000000), wk = 0.0028090 k( 206) = ( 0.3490566 0.0000000 0.5000000), wk = 0.0028090 k( 207) = ( 0.3584906 0.0000000 0.5000000), wk = 0.0028090 k( 208) = ( 0.3679245 0.0000000 0.5000000), wk = 0.0028090 k( 209) = ( 0.3773585 0.0000000 0.5000000), wk = 0.0028090 k( 210) = ( 0.3867925 0.0000000 0.5000000), wk = 0.0028090 k( 211) = ( 0.3962264 0.0000000 0.5000000), wk = 0.0028090 k( 212) = ( 0.4056604 0.0000000 0.5000000), wk = 0.0028090 k( 213) = ( 0.4150943 0.0000000 0.5000000), wk = 0.0028090 k( 214) = ( 0.4245283 0.0000000 0.5000000), wk = 0.0028090 k( 215) = ( 0.4339623 0.0000000 0.5000000), wk = 0.0028090 k( 216) = ( 0.4433962 0.0000000 0.5000000), wk = 0.0028090 k( 217) = ( 0.4528302 0.0000000 0.5000000), wk = 0.0028090 k( 218) = ( 0.4622641 0.0000000 0.5000000), wk = 0.0028090 k( 219) = ( 0.4716981 0.0000000 0.5000000), wk = 0.0028090 k( 220) = ( 0.4811321 0.0000000 0.5000000), wk = 0.0028090 k( 221) = ( 0.4905660 0.0000000 0.5000000), wk = 0.0028090 k( 222) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028090 k( 223) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028090 k( 224) = ( 0.4946237 0.0107527 0.5000000), wk = 0.0028090 k( 225) = ( 0.4892473 0.0215054 0.5000000), wk = 0.0028090 k( 226) = ( 0.4838710 0.0322581 0.5000000), wk = 0.0028090 k( 227) = ( 0.4784946 0.0430108 0.5000000), wk = 0.0028090 k( 228) = ( 0.4731183 0.0537634 0.5000000), wk = 0.0028090 k( 229) = ( 0.4677419 0.0645161 0.5000000), wk = 0.0028090 k( 230) = ( 0.4623656 0.0752688 0.5000000), wk = 0.0028090 k( 231) = ( 0.4569893 0.0860215 0.5000000), wk = 0.0028090 k( 232) = ( 0.4516129 0.0967742 0.5000000), wk = 0.0028090 k( 233) = ( 0.4462366 0.1075269 0.5000000), wk = 0.0028090 k( 234) = ( 0.4408602 0.1182796 0.5000000), wk = 0.0028090 k( 235) = ( 0.4354839 0.1290323 0.5000000), wk = 0.0028090 k( 236) = ( 0.4301075 0.1397850 0.5000000), wk = 0.0028090 k( 237) = ( 0.4247312 0.1505376 0.5000000), wk = 0.0028090 k( 238) = ( 0.4193548 0.1612903 0.5000000), wk = 0.0028090 k( 239) = ( 0.4139785 0.1720430 0.5000000), wk = 0.0028090 k( 240) = ( 0.4086021 0.1827957 0.5000000), wk = 0.0028090 k( 241) = ( 0.4032258 0.1935484 0.5000000), wk = 0.0028090 k( 242) = ( 0.3978495 0.2043011 0.5000000), wk = 0.0028090 k( 243) = ( 0.3924731 0.2150538 0.5000000), wk = 0.0028090 k( 244) = ( 0.3870968 0.2258065 0.5000000), wk = 0.0028090 k( 245) = ( 0.3817204 0.2365591 0.5000000), wk = 0.0028090 k( 246) = ( 0.3763441 0.2473118 0.5000000), wk = 0.0028090 k( 247) = ( 0.3709677 0.2580645 0.5000000), wk = 0.0028090 k( 248) = ( 0.3655914 0.2688172 0.5000000), wk = 0.0028090 k( 249) = ( 0.3602150 0.2795699 0.5000000), wk = 0.0028090 k( 250) = ( 0.3548387 0.2903226 0.5000000), wk = 0.0028090 k( 251) = ( 0.3494624 0.3010753 0.5000000), wk = 0.0028090 k( 252) = ( 0.3440860 0.3118280 0.5000000), wk = 0.0028090 k( 253) = ( 0.3387097 0.3225807 0.5000000), wk = 0.0028090 k( 254) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028090 k( 255) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028090 k( 256) = ( 0.3278688 0.3278689 0.5000000), wk = 0.0028090 k( 257) = ( 0.3224044 0.3224044 0.5000000), wk = 0.0028090 k( 258) = ( 0.3169399 0.3169399 0.5000000), wk = 0.0028090 k( 259) = ( 0.3114754 0.3114754 0.5000000), wk = 0.0028090 k( 260) = ( 0.3060109 0.3060109 0.5000000), wk = 0.0028090 k( 261) = ( 0.3005465 0.3005465 0.5000000), wk = 0.0028090 k( 262) = ( 0.2950820 0.2950820 0.5000000), wk = 0.0028090 k( 263) = ( 0.2896175 0.2896175 0.5000000), wk = 0.0028090 k( 264) = ( 0.2841530 0.2841530 0.5000000), wk = 0.0028090 k( 265) = ( 0.2786885 0.2786885 0.5000000), wk = 0.0028090 k( 266) = ( 0.2732240 0.2732240 0.5000000), wk = 0.0028090 k( 267) = ( 0.2677596 0.2677596 0.5000000), wk = 0.0028090 k( 268) = ( 0.2622951 0.2622951 0.5000000), wk = 0.0028090 k( 269) = ( 0.2568306 0.2568306 0.5000000), wk = 0.0028090 k( 270) = ( 0.2513661 0.2513661 0.5000000), wk = 0.0028090 k( 271) = ( 0.2459016 0.2459016 0.5000000), wk = 0.0028090 k( 272) = ( 0.2404372 0.2404372 0.5000000), wk = 0.0028090 k( 273) = ( 0.2349727 0.2349727 0.5000000), wk = 0.0028090 k( 274) = ( 0.2295082 0.2295082 0.5000000), wk = 0.0028090 k( 275) = ( 0.2240437 0.2240437 0.5000000), wk = 0.0028090 k( 276) = ( 0.2185792 0.2185792 0.5000000), wk = 0.0028090 k( 277) = ( 0.2131147 0.2131148 0.5000000), wk = 0.0028090 k( 278) = ( 0.2076503 0.2076503 0.5000000), wk = 0.0028090 k( 279) = ( 0.2021858 0.2021858 0.5000000), wk = 0.0028090 k( 280) = ( 0.1967213 0.1967213 0.5000000), wk = 0.0028090 k( 281) = ( 0.1912568 0.1912568 0.5000000), wk = 0.0028090 k( 282) = ( 0.1857923 0.1857923 0.5000000), wk = 0.0028090 k( 283) = ( 0.1803279 0.1803279 0.5000000), wk = 0.0028090 k( 284) = ( 0.1748634 0.1748634 0.5000000), wk = 0.0028090 k( 285) = ( 0.1693989 0.1693989 0.5000000), wk = 0.0028090 k( 286) = ( 0.1639344 0.1639344 0.5000000), wk = 0.0028090 k( 287) = ( 0.1584699 0.1584700 0.5000000), wk = 0.0028090 k( 288) = ( 0.1530055 0.1530055 0.5000000), wk = 0.0028090 k( 289) = ( 0.1475410 0.1475410 0.5000000), wk = 0.0028090 k( 290) = ( 0.1420765 0.1420765 0.5000000), wk = 0.0028090 k( 291) = ( 0.1366120 0.1366120 0.5000000), wk = 0.0028090 k( 292) = ( 0.1311475 0.1311475 0.5000000), wk = 0.0028090 k( 293) = ( 0.1256831 0.1256831 0.5000000), wk = 0.0028090 k( 294) = ( 0.1202186 0.1202186 0.5000000), wk = 0.0028090 k( 295) = ( 0.1147541 0.1147541 0.5000000), wk = 0.0028090 k( 296) = ( 0.1092896 0.1092896 0.5000000), wk = 0.0028090 k( 297) = ( 0.1038251 0.1038251 0.5000000), wk = 0.0028090 k( 298) = ( 0.0983607 0.0983607 0.5000000), wk = 0.0028090 k( 299) = ( 0.0928962 0.0928962 0.5000000), wk = 0.0028090 k( 300) = ( 0.0874317 0.0874317 0.5000000), wk = 0.0028090 k( 301) = ( 0.0819672 0.0819672 0.5000000), wk = 0.0028090 k( 302) = ( 0.0765027 0.0765027 0.5000000), wk = 0.0028090 k( 303) = ( 0.0710382 0.0710383 0.5000000), wk = 0.0028090 k( 304) = ( 0.0655738 0.0655738 0.5000000), wk = 0.0028090 k( 305) = ( 0.0601093 0.0601093 0.5000000), wk = 0.0028090 k( 306) = ( 0.0546448 0.0546448 0.5000000), wk = 0.0028090 k( 307) = ( 0.0491803 0.0491803 0.5000000), wk = 0.0028090 k( 308) = ( 0.0437159 0.0437159 0.5000000), wk = 0.0028090 k( 309) = ( 0.0382514 0.0382514 0.5000000), wk = 0.0028090 k( 310) = ( 0.0327869 0.0327869 0.5000000), wk = 0.0028090 k( 311) = ( 0.0273224 0.0273224 0.5000000), wk = 0.0028090 k( 312) = ( 0.0218579 0.0218579 0.5000000), wk = 0.0028090 k( 313) = ( 0.0163934 0.0163934 0.5000000), wk = 0.0028090 k( 314) = ( 0.0109290 0.0109290 0.5000000), wk = 0.0028090 k( 315) = ( 0.0054645 0.0054645 0.5000000), wk = 0.0028090 k( 316) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028090 k( 317) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028090 k( 318) = ( 0.5000000 0.0000000 0.4736842), wk = 0.0028090 k( 319) = ( 0.5000000 0.0000000 0.4473684), wk = 0.0028090 k( 320) = ( 0.5000000 0.0000000 0.4210526), wk = 0.0028090 k( 321) = ( 0.5000000 0.0000000 0.3947368), wk = 0.0028090 k( 322) = ( 0.5000000 0.0000000 0.3684210), wk = 0.0028090 k( 323) = ( 0.5000000 0.0000000 0.3421053), wk = 0.0028090 k( 324) = ( 0.5000000 0.0000000 0.3157895), wk = 0.0028090 k( 325) = ( 0.5000000 0.0000000 0.2894737), wk = 0.0028090 k( 326) = ( 0.5000000 0.0000000 0.2631579), wk = 0.0028090 k( 327) = ( 0.5000000 0.0000000 0.2368421), wk = 0.0028090 k( 328) = ( 0.5000000 0.0000000 0.2105263), wk = 0.0028090 k( 329) = ( 0.5000000 0.0000000 0.1842105), wk = 0.0028090 k( 330) = ( 0.5000000 0.0000000 0.1578947), wk = 0.0028090 k( 331) = ( 0.5000000 0.0000000 0.1315790), wk = 0.0028090 k( 332) = ( 0.5000000 0.0000000 0.1052632), wk = 0.0028090 k( 333) = ( 0.5000000 0.0000000 0.0789474), wk = 0.0028090 k( 334) = ( 0.5000000 0.0000000 0.0526316), wk = 0.0028090 k( 335) = ( 0.5000000 0.0000000 0.0263158), wk = 0.0028090 k( 336) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028090 k( 337) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0028090 k( 338) = ( 0.3333333 0.3333333 0.0263158), wk = 0.0028090 k( 339) = ( 0.3333333 0.3333333 0.0526316), wk = 0.0028090 k( 340) = ( 0.3333333 0.3333333 0.0789474), wk = 0.0028090 k( 341) = ( 0.3333333 0.3333333 0.1052632), wk = 0.0028090 k( 342) = ( 0.3333333 0.3333333 0.1315790), wk = 0.0028090 k( 343) = ( 0.3333333 0.3333333 0.1578947), wk = 0.0028090 k( 344) = ( 0.3333333 0.3333333 0.1842105), wk = 0.0028090 k( 345) = ( 0.3333333 0.3333333 0.2105263), wk = 0.0028090 k( 346) = ( 0.3333333 0.3333333 0.2368421), wk = 0.0028090 k( 347) = ( 0.3333333 0.3333333 0.2631579), wk = 0.0028090 k( 348) = ( 0.3333333 0.3333333 0.2894737), wk = 0.0028090 k( 349) = ( 0.3333333 0.3333333 0.3157895), wk = 0.0028090 k( 350) = ( 0.3333333 0.3333333 0.3421053), wk = 0.0028090 k( 351) = ( 0.3333333 0.3333333 0.3684211), wk = 0.0028090 k( 352) = ( 0.3333333 0.3333333 0.3947368), wk = 0.0028090 k( 353) = ( 0.3333333 0.3333333 0.4210526), wk = 0.0028090 k( 354) = ( 0.3333333 0.3333333 0.4473684), wk = 0.0028090 k( 355) = ( 0.3333333 0.3333333 0.4736842), wk = 0.0028090 k( 356) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028090 Dense grid: 41949 G-vectors FFT dimensions: ( 36, 36, 81) Smooth grid: 22741 G-vectors FFT dimensions: ( 27, 27, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 148, 46) NL pseudopotentials 0.09 Mb ( 74, 82) Each V/rho on FFT grid 0.04 Mb ( 2592) Each G-vector array 0.01 Mb ( 878) G-vector shells 0.00 Mb ( 426) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.42 Mb ( 148, 184) Each subspace H/S matrix 0.52 Mb ( 184, 184) Each matrix 0.12 Mb ( 82, 2, 46) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./TaInSe2.save/charge-density.dat Starting wfc are 54 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 44.3 secs Computing kpt #: 2 total cpu time spent up to now is 45.3 secs Computing kpt #: 3 total cpu time spent up to now is 46.1 secs Computing kpt #: 4 total cpu time spent up to now is 46.9 secs Computing kpt #: 5 total cpu time spent up to now is 47.7 secs Computing kpt #: 6 total cpu time spent up to now is 48.6 secs Computing kpt #: 7 total cpu time spent up to now is 49.4 secs Computing kpt #: 8 total cpu time spent up to now is 50.2 secs Computing kpt #: 9 total cpu time spent up to now is 51.0 secs Computing kpt #: 10 total cpu time spent up to now is 51.9 secs Computing kpt #: 11 total cpu time spent up to now is 52.7 secs Computing kpt #: 12 total cpu time spent up to now is 53.7 secs Computing kpt #: 13 total cpu time spent up to now is 54.5 secs Computing kpt #: 14 total cpu time spent up to now is 55.5 secs Computing kpt #: 15 total cpu time spent up to now is 56.4 secs Computing kpt #: 16 total cpu time spent up to now is 57.3 secs Computing kpt #: 17 total cpu time spent up to now is 58.1 secs Computing kpt #: 18 total cpu time spent up to now is 59.1 secs Computing kpt #: 19 total cpu time spent up to now is 59.9 secs Computing kpt #: 20 total cpu time spent up to now is 60.8 secs Computing kpt #: 21 total cpu time spent up to now is 61.6 secs Computing kpt #: 22 total cpu time spent up to now is 62.5 secs Computing kpt #: 23 total cpu time spent up to now is 63.4 secs Computing kpt #: 24 total cpu time spent up to now is 64.5 secs Computing kpt #: 25 total cpu time spent up to now is 65.5 secs Computing kpt #: 26 total cpu time spent up to now is 66.5 secs Computing kpt #: 27 total cpu time spent up to now is 67.6 secs Computing kpt #: 28 total cpu time spent up to now is 68.6 secs Computing kpt #: 29 total cpu time spent up to now is 69.6 secs Computing kpt #: 30 total cpu time spent up to now is 70.7 secs Computing kpt #: 31 total cpu 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total cpu time spent up to now is 140.8 secs Computing kpt #: 94 total cpu time spent up to now is 141.9 secs Computing kpt #: 95 total cpu time spent up to now is 143.2 secs Computing kpt #: 96 total cpu time spent up to now is 144.3 secs Computing kpt #: 97 total cpu time spent up to now is 145.3 secs Computing kpt #: 98 total cpu time spent up to now is 146.4 secs Computing kpt #: 99 total cpu time spent up to now is 147.6 secs Computing kpt #: 100 total cpu time spent up to now is 148.7 secs Computing kpt #: 101 total cpu time spent up to now is 149.9 secs Computing kpt #: 102 total cpu time spent up to now is 151.0 secs Computing kpt #: 103 total cpu time spent up to now is 152.1 secs Computing kpt #: 104 total cpu time spent up to now is 153.4 secs Computing kpt #: 105 total cpu time spent up to now is 154.6 secs Computing kpt #: 106 total cpu time spent up to now is 155.7 secs Computing kpt #: 107 total cpu time spent up to now is 156.8 secs Computing kpt #: 108 total cpu time 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Computing kpt #: 154 total cpu time spent up to now is 202.7 secs Computing kpt #: 155 total cpu time spent up to now is 203.7 secs Computing kpt #: 156 total cpu time spent up to now is 204.5 secs Computing kpt #: 157 total cpu time spent up to now is 205.4 secs Computing kpt #: 158 total cpu time spent up to now is 206.3 secs Computing kpt #: 159 total cpu time spent up to now is 207.2 secs Computing kpt #: 160 total cpu time spent up to now is 208.1 secs Computing kpt #: 161 total cpu time spent up to now is 208.9 secs Computing kpt #: 162 total cpu time spent up to now is 209.8 secs Computing kpt #: 163 total cpu time spent up to now is 210.7 secs Computing kpt #: 164 total cpu time spent up to now is 211.6 secs Computing kpt #: 165 total cpu time spent up to now is 212.6 secs Computing kpt #: 166 total cpu time spent up to now is 213.5 secs Computing kpt #: 167 total cpu time spent up to now is 214.8 secs Computing kpt #: 168 total cpu time spent up to now is 215.8 secs Computing 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total cpu time spent up to now is 229.8 secs Computing kpt #: 185 total cpu time spent up to now is 230.7 secs Computing kpt #: 186 total cpu time spent up to now is 231.5 secs Computing kpt #: 187 total cpu time spent up to now is 232.4 secs Computing kpt #: 188 total cpu time spent up to now is 233.2 secs Computing kpt #: 189 total cpu time spent up to now is 234.0 secs Computing kpt #: 190 total cpu time spent up to now is 234.8 secs Computing kpt #: 191 total cpu time spent up to now is 235.6 secs Computing kpt #: 192 total cpu time spent up to now is 236.5 secs Computing kpt #: 193 total cpu time spent up to now is 237.4 secs Computing kpt #: 194 total cpu time spent up to now is 238.2 secs Computing kpt #: 195 total cpu time spent up to now is 239.1 secs Computing kpt #: 196 total cpu time spent up to now is 240.1 secs Computing kpt #: 197 total cpu time spent up to now is 241.1 secs Computing kpt #: 198 total cpu time spent up to now is 242.2 secs Computing kpt #: 199 total cpu 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up to now is 261.4 secs Computing kpt #: 215 total cpu time spent up to now is 262.5 secs Computing kpt #: 216 total cpu time spent up to now is 263.5 secs Computing kpt #: 217 total cpu time spent up to now is 264.6 secs Computing kpt #: 218 total cpu time spent up to now is 265.7 secs Computing kpt #: 219 total cpu time spent up to now is 266.8 secs Computing kpt #: 220 total cpu time spent up to now is 267.9 secs Computing kpt #: 221 total cpu time spent up to now is 269.0 secs Computing kpt #: 222 total cpu time spent up to now is 270.1 secs Computing kpt #: 223 total cpu time spent up to now is 271.2 secs Computing kpt #: 224 total cpu time spent up to now is 272.7 secs Computing kpt #: 225 total cpu time spent up to now is 273.9 secs Computing kpt #: 226 total cpu time spent up to now is 275.1 secs Computing kpt #: 227 total cpu time spent up to now is 276.3 secs Computing kpt #: 228 total cpu time spent up to now is 277.4 secs Computing kpt #: 229 total cpu time spent up to now is 278.5 secs Computing kpt #: 230 total cpu time spent up to now is 279.6 secs Computing kpt #: 231 total cpu time spent up to now is 280.7 secs Computing kpt #: 232 total cpu time spent up to now is 281.7 secs Computing kpt #: 233 total cpu time spent up to now is 282.8 secs Computing kpt #: 234 total cpu time spent up to now is 283.8 secs Computing kpt #: 235 total cpu time spent up to now is 284.9 secs Computing kpt #: 236 total cpu time spent up to now is 286.0 secs Computing kpt #: 237 total cpu time spent up to now is 287.0 secs Computing kpt #: 238 total cpu time spent up to now is 288.5 secs Computing kpt #: 239 total cpu time spent up to now is 289.5 secs Computing kpt #: 240 total cpu time spent up to now is 290.4 secs Computing kpt #: 241 total cpu time spent up to now is 291.4 secs Computing kpt #: 242 total cpu time spent up to now is 292.3 secs Computing kpt #: 243 total cpu time spent up to now is 293.2 secs Computing kpt #: 244 total cpu time spent up to now is 294.1 secs Computing kpt #: 245 total cpu time spent up to now is 295.0 secs Computing kpt #: 246 total cpu time spent up to now is 295.8 secs Computing kpt #: 247 total cpu time spent up to now is 296.7 secs Computing kpt #: 248 total cpu time spent up to now is 297.9 secs Computing kpt #: 249 total cpu time spent up to now is 298.8 secs Computing kpt #: 250 total cpu time spent up to now is 299.8 secs Computing kpt #: 251 total cpu time spent up to now is 300.7 secs Computing kpt #: 252 total cpu time spent up to now is 301.6 secs Computing kpt #: 253 total cpu time spent up to now is 302.5 secs Computing kpt #: 254 total cpu time spent up to now is 303.3 secs Computing kpt #: 255 total cpu time spent up to now is 304.2 secs Computing kpt #: 256 total cpu time spent up to now is 305.1 secs Computing kpt #: 257 total cpu time spent up to now is 305.9 secs Computing kpt #: 258 total cpu time spent up to now is 306.8 secs Computing kpt #: 259 total cpu time spent up to now is 307.8 secs 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kpt #: 275 total cpu time spent up to now is 323.0 secs Computing kpt #: 276 total cpu time spent up to now is 323.9 secs Computing kpt #: 277 total cpu time spent up to now is 324.8 secs Computing kpt #: 278 total cpu time spent up to now is 325.8 secs Computing kpt #: 279 total cpu time spent up to now is 326.8 secs Computing kpt #: 280 total cpu time spent up to now is 327.8 secs Computing kpt #: 281 total cpu time spent up to now is 328.8 secs Computing kpt #: 282 total cpu time spent up to now is 329.9 secs Computing kpt #: 283 total cpu time spent up to now is 330.9 secs Computing kpt #: 284 total cpu time spent up to now is 332.3 secs Computing kpt #: 285 total cpu time spent up to now is 333.3 secs Computing kpt #: 286 total cpu time spent up to now is 334.4 secs Computing kpt #: 287 total cpu time spent up to now is 335.4 secs Computing kpt #: 288 total cpu time spent up to now is 336.5 secs Computing kpt #: 289 total cpu time spent up to now is 337.5 secs Computing kpt #: 290 total cpu time spent up to now is 338.5 secs Computing kpt #: 291 total cpu time spent up to now is 339.5 secs Computing kpt #: 292 total cpu time spent up to now is 340.3 secs Computing kpt #: 293 total cpu time spent up to now is 341.2 secs Computing kpt #: 294 total cpu time spent up to now is 342.0 secs Computing kpt #: 295 total cpu time spent up to now is 342.9 secs Computing kpt #: 296 total cpu time spent up to now is 343.7 secs Computing kpt #: 297 total cpu time spent up to now is 344.6 secs Computing kpt #: 298 total cpu time spent up to now is 345.5 secs Computing kpt #: 299 total cpu time spent up to now is 346.3 secs Computing kpt #: 300 total cpu time spent up to now is 347.1 secs Computing kpt #: 301 total cpu time spent up to now is 347.9 secs Computing kpt #: 302 total cpu time spent up to now is 348.7 secs Computing kpt #: 303 total cpu time spent up to now is 349.6 secs Computing kpt #: 304 total cpu time spent up to now is 350.4 secs Computing kpt #: 305 total cpu time spent up to now is 351.3 secs Computing kpt #: 306 total cpu time spent up to now is 352.2 secs Computing kpt #: 307 total cpu time spent up to now is 353.1 secs Computing kpt #: 308 total cpu time spent up to now is 353.9 secs Computing kpt #: 309 total cpu time spent up to now is 354.8 secs Computing kpt #: 310 total cpu time spent up to now is 355.7 secs Computing kpt #: 311 total cpu time spent up to now is 356.6 secs Computing kpt #: 312 total cpu time spent up to now is 357.5 secs Computing kpt #: 313 total cpu time spent up to now is 358.4 secs Computing kpt #: 314 total cpu time spent up to now is 359.4 secs Computing kpt #: 315 total cpu time spent up to now is 360.3 secs Computing kpt #: 316 total cpu time spent up to now is 362.2 secs Computing kpt #: 317 total cpu time spent up to now is 363.4 secs Computing kpt #: 318 total cpu time spent up to now is 364.7 secs Computing kpt #: 319 total cpu time spent up to now is 365.8 secs Computing kpt #: 320 total cpu time spent up to now is 367.0 secs Computing kpt #: 321 total cpu time spent up to now is 368.1 secs Computing kpt #: 322 total cpu time spent up to now is 369.2 secs Computing kpt #: 323 total cpu time spent up to now is 370.3 secs Computing kpt #: 324 total cpu time spent up to now is 371.4 secs Computing kpt #: 325 total cpu time spent up to now is 372.5 secs Computing kpt #: 326 total cpu time spent up to now is 373.6 secs Computing kpt #: 327 total cpu time spent up to now is 374.7 secs Computing kpt #: 328 total cpu time spent up to now is 376.1 secs Computing kpt #: 329 total cpu time spent up to now is 377.4 secs Computing kpt #: 330 total cpu time spent up to now is 378.4 secs Computing kpt #: 331 total cpu time spent up to now is 379.4 secs Computing kpt #: 332 total cpu time spent up to now is 380.4 secs Computing kpt #: 333 total cpu time spent up to now is 381.4 secs Computing kpt #: 334 total cpu time spent up to now is 382.4 secs Computing kpt #: 335 total cpu time spent up to now is 383.4 secs Computing kpt #: 336 total cpu time spent up to now is 384.4 secs Computing kpt #: 337 total cpu time spent up to now is 385.4 secs Computing kpt #: 338 total cpu time spent up to now is 386.5 secs Computing kpt #: 339 total cpu time spent up to now is 387.7 secs Computing kpt #: 340 total cpu time spent up to now is 388.8 secs Computing kpt #: 341 total cpu time spent up to now is 389.9 secs Computing kpt #: 342 total cpu time spent up to now is 391.0 secs Computing kpt #: 343 total cpu time spent up to now is 392.0 secs Computing kpt #: 344 total cpu time spent up to now is 393.3 secs Computing kpt #: 345 total cpu time spent up to now is 394.4 secs Computing kpt #: 346 total cpu time spent up to now is 395.5 secs Computing kpt #: 347 total cpu time spent up to now is 396.6 secs Computing kpt #: 348 total cpu time spent up to now is 397.7 secs Computing kpt #: 349 total cpu time spent up to now is 398.8 secs Computing kpt #: 350 total cpu time spent up to now is 399.8 secs Computing kpt #: 351 total cpu time spent up to now is 400.8 secs Computing kpt #: 352 total cpu time spent up to now is 401.8 secs Computing kpt #: 353 total cpu time spent up to now is 402.6 secs Computing kpt #: 354 total cpu time spent up to now is 403.5 secs Computing kpt #: 355 total cpu time spent up to now is 404.4 secs Computing kpt #: 356 total cpu time spent up to now is 405.3 secs ethr = 2.63E-11, avg # of iterations = 20.6 total cpu time spent up to now is 405.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2805 PWs) bands (ev): -56.7109 -56.7109 -29.6060 -29.6060 -20.9790 -20.9790 -20.8719 -20.8719 -4.4883 -4.4883 -3.8201 -3.8201 -3.6512 -3.6512 -2.9816 -2.9816 -2.9417 -2.9417 -2.9212 -2.9212 -2.7708 -2.7708 2.7000 2.7000 6.9906 6.9906 7.2245 7.2245 8.3171 8.3171 8.3420 8.3420 9.2869 9.2869 9.6047 9.6047 12.3553 12.3553 13.8062 13.8062 13.8855 13.8855 13.9896 13.9896 14.1751 14.1751 k = 0.0094 0.0054-0.0000 ( 2811 PWs) bands (ev): -56.7109 -56.7109 -29.6060 -29.6060 -20.9790 -20.9790 -20.8721 -20.8721 -4.4876 -4.4876 -3.8200 -3.8200 -3.6509 -3.6509 -2.9815 -2.9815 -2.9415 -2.9415 -2.9213 -2.9213 -2.7703 -2.7703 2.7015 2.7015 6.9921 6.9921 7.2240 7.2240 8.3148 8.3148 8.3405 8.3405 9.2848 9.2848 9.6021 9.6021 12.3513 12.3513 13.8049 13.8049 13.8863 13.8863 13.9901 13.9901 14.1745 14.1745 k = 0.0189 0.0109-0.0000 ( 2807 PWs) bands (ev): -56.7109 -56.7109 -29.6061 -29.6061 -20.9791 -20.9791 -20.8726 -20.8726 -4.4856 -4.4856 -3.8199 -3.8199 -3.6500 -3.6500 -2.9813 -2.9813 -2.9408 -2.9408 -2.9216 -2.9216 -2.7686 -2.7686 2.7060 2.7060 6.9966 6.9966 7.2226 7.2226 8.3050 8.3050 8.3391 8.3391 9.2784 9.2784 9.5944 9.5944 12.3393 12.3393 13.8006 13.8006 13.8886 13.8886 13.9916 13.9916 14.1729 14.1729 k = 0.0283 0.0163-0.0000 ( 2811 PWs) bands (ev): -56.7109 -56.7109 -29.6063 -29.6063 -20.9792 -20.9792 -20.8734 -20.8734 -4.4822 -4.4822 -3.8197 -3.8197 -3.6486 -3.6486 -2.9809 -2.9809 -2.9398 -2.9398 -2.9221 -2.9221 -2.7659 -2.7659 2.7134 2.7134 7.0040 7.0040 7.2202 7.2202 8.2846 8.2846 8.3409 8.3409 9.2679 9.2679 9.5817 9.5817 12.3195 12.3195 13.7928 13.7928 13.8922 13.8922 13.9946 13.9946 14.1712 14.1712 k = 0.0377 0.0218-0.0000 ( 2811 PWs) bands (ev): -56.7108 -56.7108 -29.6066 -29.6066 -20.9793 -20.9793 -20.8746 -20.8746 -4.4775 -4.4775 -3.8194 -3.8194 -3.6466 -3.6466 -2.9804 -2.9804 -2.9382 -2.9382 -2.9228 -2.9228 -2.7620 -2.7620 2.7238 2.7238 7.0143 7.0143 7.2168 7.2168 8.2541 8.2541 8.3458 8.3458 9.2532 9.2532 9.5640 9.5640 12.2920 12.2920 13.7811 13.7811 13.8965 13.8965 13.9997 13.9997 14.1706 14.1706 k = 0.0472 0.0272-0.0000 ( 2815 PWs) bands (ev): -56.7108 -56.7108 -29.6069 -29.6069 -20.9794 -20.9794 -20.8761 -20.8761 -4.4716 -4.4716 -3.8190 -3.8190 -3.6439 -3.6439 -2.9797 -2.9797 -2.9362 -2.9362 -2.9236 -2.9236 -2.7572 -2.7572 2.7372 2.7372 7.0275 7.0275 7.2124 7.2124 8.2147 8.2147 8.3529 8.3529 9.2344 9.2344 9.5414 9.5414 12.2571 12.2571 13.7655 13.7655 13.8998 13.8998 14.0074 14.0074 14.1725 14.1725 k = 0.0566 0.0327-0.0000 ( 2815 PWs) bands (ev): -56.7107 -56.7107 -29.6073 -29.6073 -20.9796 -20.9796 -20.8779 -20.8779 -4.4643 -4.4643 -3.8185 -3.8185 -3.6407 -3.6407 -2.9790 -2.9790 -2.9338 -2.9338 -2.9245 -2.9245 -2.7513 -2.7513 2.7535 2.7535 7.0436 7.0436 7.2071 7.2071 8.1673 8.1673 8.3619 8.3619 9.2116 9.2116 9.5143 9.5143 12.2151 12.2151 13.7467 13.7467 13.9003 13.9003 14.0183 14.0183 14.1788 14.1788 k = 0.0660 0.0381-0.0000 ( 2816 PWs) bands (ev): -56.7106 -56.7106 -29.6078 -29.6078 -20.9799 -20.9799 -20.8800 -20.8800 -4.4559 -4.4559 -3.8180 -3.8180 -3.6369 -3.6369 -2.9781 -2.9781 -2.9308 -2.9308 -2.9254 -2.9254 -2.7445 -2.7445 2.7728 2.7728 7.0624 7.0624 7.2009 7.2009 8.1124 8.1124 8.3726 8.3726 9.1850 9.1850 9.4828 9.4828 12.1665 12.1665 13.7255 13.7255 13.8968 13.8968 14.0318 14.0318 14.1909 14.1909 k = 0.0755 0.0436-0.0000 ( 2822 PWs) bands (ev): -56.7105 -56.7105 -29.6084 -29.6084 -20.9802 -20.9802 -20.8825 -20.8825 -4.4464 -4.4464 -3.8174 -3.8174 -3.6324 -3.6324 -2.9772 -2.9772 -2.9281 -2.9281 -2.9256 -2.9256 -2.7368 -2.7368 2.7949 2.7949 7.0838 7.0838 7.1939 7.1939 8.0508 8.0508 8.3849 8.3849 9.1546 9.1546 9.4471 9.4471 12.1117 12.1117 13.7029 13.7029 13.8890 13.8890 14.0469 14.0469 14.2101 14.2101 k = 0.0849 0.0490-0.0000 ( 2822 PWs) bands (ev): -56.7103 -56.7103 -29.6090 -29.6090 -20.9805 -20.9805 -20.8851 -20.8851 -4.4358 -4.4358 -3.8167 -3.8167 -3.6274 -3.6274 -2.9762 -2.9762 -2.9283 -2.9283 -2.9224 -2.9224 -2.7281 -2.7281 2.8200 2.8200 7.1075 7.1075 7.1864 7.1864 7.9831 7.9831 8.3987 8.3987 9.1207 9.1207 9.4075 9.4075 12.0512 12.0512 13.6797 13.6797 13.8776 13.8776 14.0624 14.0624 14.2369 14.2369 k = 0.0943 0.0545-0.0000 ( 2830 PWs) bands (ev): -56.7102 -56.7102 -29.6097 -29.6097 -20.9810 -20.9810 -20.8880 -20.8880 -4.4243 -4.4243 -3.8159 -3.8159 -3.6217 -3.6217 -2.9751 -2.9751 -2.9293 -2.9293 -2.9177 -2.9177 -2.7186 -2.7186 2.8478 2.8478 7.1316 7.1316 7.1798 7.1798 7.9101 7.9101 8.4138 8.4138 9.0833 9.0833 9.3645 9.3645 11.9855 11.9855 13.6569 13.6569 13.8632 13.8632 14.0774 14.0774 14.2708 14.2708 k = 0.1038 0.0599-0.0000 ( 2824 PWs) bands (ev): -56.7100 -56.7100 -29.6103 -29.6103 -20.9814 -20.9814 -20.8911 -20.8911 -4.4119 -4.4119 -3.8151 -3.8151 -3.6154 -3.6154 -2.9740 -2.9740 -2.9303 -2.9303 -2.9122 -2.9122 -2.7083 -2.7083 2.8785 2.8785 7.1476 7.1476 7.1828 7.1828 7.8323 7.8323 8.4301 8.4301 9.0426 9.0426 9.3184 9.3184 11.9153 11.9153 13.6354 13.6354 13.8465 13.8465 14.0917 14.0917 14.3111 14.3111 k = 0.1132 0.0654-0.0000 ( 2818 PWs) bands (ev): -56.7099 -56.7099 -29.6111 -29.6111 -20.9819 -20.9819 -20.8944 -20.8944 -4.3987 -4.3987 -3.8143 -3.8143 -3.6085 -3.6085 -2.9729 -2.9729 -2.9312 -2.9312 -2.9060 -2.9060 -2.6972 -2.6972 2.9120 2.9120 7.1439 7.1439 7.2066 7.2066 7.7508 7.7508 8.4475 8.4475 8.9989 8.9989 9.2697 9.2697 11.8411 11.8411 13.6158 13.6158 13.8284 13.8284 14.1052 14.1052 14.3567 14.3567 k = 0.1226 0.0708-0.0000 ( 2820 PWs) bands (ev): -56.7097 -56.7097 -29.6119 -29.6119 -20.9826 -20.9826 -20.8979 -20.8979 -4.3848 -4.3848 -3.8134 -3.8134 -3.6009 -3.6009 -2.9718 -2.9718 -2.9321 -2.9321 -2.8990 -2.8990 -2.6853 -2.6853 2.9482 2.9482 7.1323 7.1323 7.2388 7.2388 7.6663 7.6663 8.4658 8.4658 8.9525 8.9525 9.2187 9.2187 11.7634 11.7634 13.5986 13.5986 13.8095 13.8095 14.1181 14.1181 14.4065 14.4065 k = 0.1321 0.0763-0.0000 ( 2820 PWs) bands (ev): -56.7095 -56.7095 -29.6128 -29.6128 -20.9834 -20.9834 -20.9015 -20.9015 -4.3703 -4.3703 -3.8125 -3.8125 -3.5928 -3.5928 -2.9709 -2.9709 -2.9327 -2.9327 -2.8911 -2.8911 -2.6727 -2.6727 2.9870 2.9870 7.1176 7.1176 7.2736 7.2736 7.5804 7.5804 8.4846 8.4846 8.9036 8.9036 9.1662 9.1662 11.6829 11.6829 13.5842 13.5842 13.7903 13.7903 14.1302 14.1302 14.4596 14.4596 k = 0.1415 0.0817-0.0000 ( 2820 PWs) bands (ev): -56.7093 -56.7093 -29.6137 -29.6137 -20.9844 -20.9844 -20.9052 -20.9052 -4.3554 -4.3554 -3.8115 -3.8115 -3.5840 -3.5840 -2.9701 -2.9701 -2.9331 -2.9331 -2.8824 -2.8824 -2.6594 -2.6594 3.0285 3.0285 7.1004 7.1004 7.3070 7.3070 7.4968 7.4968 8.5034 8.5034 8.8528 8.8528 9.1125 9.1125 11.6002 11.6002 13.5728 13.5728 13.7714 13.7714 14.1416 14.1416 14.5154 14.5154 k = 0.1509 0.0871-0.0000 ( 2824 PWs) bands (ev): -56.7091 -56.7091 -29.6147 -29.6147 -20.9855 -20.9855 -20.9090 -20.9090 -4.3401 -4.3401 -3.8105 -3.8105 -3.5747 -3.5747 -2.9694 -2.9694 -2.9333 -2.9333 -2.8727 -2.8727 -2.6454 -2.6454 3.0725 3.0725 7.0803 7.0803 7.3224 7.3224 7.4329 7.4329 8.5216 8.5216 8.8010 8.8010 9.0583 9.0583 11.5158 11.5158 13.5645 13.5645 13.7534 13.7534 14.1520 14.1520 14.5732 14.5732 k = 0.1604 0.0926-0.0000 ( 2824 PWs) bands (ev): -56.7088 -56.7088 -29.6157 -29.6157 -20.9868 -20.9868 -20.9127 -20.9127 -4.3246 -4.3246 -3.8096 -3.8096 -3.5648 -3.5648 -2.9691 -2.9691 -2.9330 -2.9330 -2.8621 -2.8621 -2.6308 -2.6308 3.1191 3.1191 7.0558 7.0558 7.2757 7.2757 7.4342 7.4342 8.5372 8.5372 8.7498 8.7498 9.0043 9.0043 11.4304 11.4304 13.5591 13.5591 13.7368 13.7368 14.1614 14.1614 14.6323 14.6323 k = 0.1698 0.0980-0.0000 ( 2824 PWs) bands (ev): -56.7086 -56.7086 -29.6168 -29.6168 -20.9883 -20.9883 -20.9165 -20.9165 -4.3090 -4.3090 -3.8086 -3.8086 -3.5544 -3.5544 -2.9689 -2.9689 -2.9324 -2.9324 -2.8504 -2.8504 -2.6156 -2.6156 3.1680 3.1680 7.0241 7.0241 7.1994 7.1994 7.4717 7.4717 8.5462 8.5462 8.7035 8.7035 8.9510 8.9510 11.3445 11.3445 13.5563 13.5563 13.7223 13.7223 14.1694 14.1694 14.6923 14.6923 k = 0.1792 0.1035-0.0000 ( 2826 PWs) bands (ev): -56.7084 -56.7084 -29.6179 -29.6179 -20.9901 -20.9901 -20.9202 -20.9202 -4.2934 -4.2934 -3.8076 -3.8076 -3.5435 -3.5435 -2.9691 -2.9691 -2.9313 -2.9313 -2.8376 -2.8376 -2.5999 -2.5999 3.2193 3.2193 6.9788 6.9788 7.1274 7.1274 7.5177 7.5177 8.5391 8.5391 8.6709 8.6709 8.8997 8.8997 11.2586 11.2586 13.5556 13.5556 13.7105 13.7105 14.1759 14.1759 14.7528 14.7528 k = 0.1887 0.1089-0.0000 ( 2834 PWs) bands (ev): -56.7082 -56.7082 -29.6191 -29.6191 -20.9922 -20.9922 -20.9237 -20.9237 -4.2779 -4.2779 -3.8066 -3.8066 -3.5322 -3.5322 -2.9696 -2.9696 -2.9298 -2.9298 -2.8236 -2.8236 -2.5837 -2.5837 3.2727 3.2727 6.9134 6.9134 7.0709 7.0709 7.5674 7.5674 8.5079 8.5079 8.6589 8.6589 8.8521 8.8521 11.1734 11.1734 13.5562 13.5562 13.7024 13.7024 14.1802 14.1802 14.8134 14.8134 k = 0.1981 0.1144-0.0000 ( 2834 PWs) bands (ev): -56.7079 -56.7079 -29.6203 -29.6203 -20.9946 -20.9946 -20.9270 -20.9270 -4.2626 -4.2626 -3.8056 -3.8056 -3.5205 -3.5205 -2.9704 -2.9704 -2.9280 -2.9280 -2.8084 -2.8084 -2.5670 -2.5670 3.3283 3.3283 6.8310 6.8310 7.0284 7.0284 7.6195 7.6195 8.4601 8.4601 8.6565 8.6565 8.8122 8.8122 11.0894 11.0894 13.5574 13.5574 13.6989 13.6989 14.1819 14.1819 14.8736 14.8736 k = 0.2075 0.1198-0.0000 ( 2840 PWs) bands (ev): -56.7077 -56.7077 -29.6215 -29.6215 -20.9973 -20.9973 -20.9302 -20.9302 -4.2475 -4.2475 -3.8047 -3.8047 -3.5085 -3.5085 -2.9713 -2.9713 -2.9258 -2.9258 -2.7919 -2.7919 -2.5498 -2.5498 3.3860 3.3860 6.7396 6.7396 6.9923 6.9923 7.6734 7.6734 8.4058 8.4058 8.6469 8.6469 8.7876 8.7876 11.0072 11.0072 13.5583 13.5583 13.7006 13.7006 14.1801 14.1801 14.9331 14.9331 k = 0.2170 0.1253-0.0000 ( 2834 PWs) bands (ev): -56.7074 -56.7074 -29.6226 -29.6226 -21.0002 -21.0002 -20.9330 -20.9330 -4.2329 -4.2329 -3.8037 -3.8037 -3.4963 -3.4963 -2.9725 -2.9725 -2.9232 -2.9232 -2.7740 -2.7740 -2.5323 -2.5323 3.4454 3.4454 6.6443 6.6443 6.9580 6.9580 7.7286 7.7286 8.3495 8.3495 8.6211 8.6211 8.7833 8.7833 10.9273 10.9273 13.5587 13.5587 13.7076 13.7076 14.1736 14.1736 14.9918 14.9918 k = 0.2264 0.1307-0.0000 ( 2834 PWs) bands (ev): -56.7071 -56.7071 -29.6239 -29.6239 -21.0036 -21.0036 -20.9356 -20.9356 -4.2187 -4.2187 -3.8028 -3.8028 -3.4840 -3.4840 -2.9739 -2.9739 -2.9204 -2.9204 -2.7548 -2.7548 -2.5145 -2.5145 3.5066 3.5066 6.5473 6.5473 6.9234 6.9234 7.7847 7.7847 8.2935 8.2935 8.5832 8.5832 8.7936 8.7936 10.8502 10.8502 13.5587 13.5587 13.7194 13.7194 14.1605 14.1605 15.0491 15.0491 k = 0.2358 0.1362-0.0000 ( 2840 PWs) bands (ev): -56.7069 -56.7069 -29.6251 -29.6251 -21.0073 -21.0073 -20.9380 -20.9380 -4.2050 -4.2050 -3.8019 -3.8019 -3.4717 -3.4717 -2.9753 -2.9753 -2.9174 -2.9174 -2.7343 -2.7343 -2.4963 -2.4963 3.5694 3.5694 6.4500 6.4500 6.8875 6.8875 7.8413 7.8413 8.2389 8.2389 8.5400 8.5400 8.8109 8.8109 10.7766 10.7766 13.5589 13.5589 13.7350 13.7350 14.1385 14.1385 15.1044 15.1044 k = 0.2453 0.1416-0.0000 ( 2840 PWs) bands (ev): -56.7066 -56.7066 -29.6264 -29.6264 -21.0113 -21.0113 -20.9400 -20.9400 -4.1918 -4.1918 -3.8010 -3.8010 -3.4594 -3.4594 -2.9769 -2.9769 -2.9142 -2.9142 -2.7123 -2.7123 -2.4779 -2.4779 3.6335 3.6335 6.3530 6.3530 6.8498 6.8498 7.8977 7.8977 8.1870 8.1870 8.4950 8.4950 8.8315 8.8315 10.7069 10.7069 13.5598 13.5598 13.7523 13.7523 14.1043 14.1043 15.1109 15.1109 k = 0.2547 0.1471-0.0000 ( 2838 PWs) bands (ev): -56.7063 -56.7063 -29.6276 -29.6276 -21.0155 -21.0155 -20.9417 -20.9417 -4.1793 -4.1793 -3.8002 -3.8002 -3.4472 -3.4472 -2.9786 -2.9786 -2.9108 -2.9108 -2.6890 -2.6890 -2.4594 -2.4594 3.6988 3.6988 6.2568 6.2568 6.8101 6.8101 7.9524 7.9524 8.1393 8.1393 8.4498 8.4498 8.8534 8.8534 10.6418 10.6418 13.5620 13.5620 13.7681 13.7681 14.0554 14.0554 14.9681 14.9681 k = 0.2642 0.1525-0.0000 ( 2838 PWs) bands (ev): -56.7060 -56.7060 -29.6288 -29.6288 -21.0199 -21.0199 -20.9432 -20.9432 -4.1673 -4.1673 -3.7994 -3.7994 -3.4352 -3.4352 -2.9802 -2.9802 -2.9072 -2.9072 -2.6643 -2.6643 -2.4407 -2.4407 3.7650 3.7650 6.1620 6.1620 6.7683 6.7683 8.0001 8.0001 8.1013 8.1013 8.4052 8.4052 8.8759 8.8759 10.5817 10.5817 13.5659 13.5659 13.7731 13.7731 13.9956 13.9956 14.8484 14.8484 k = 0.2736 0.1580-0.0000 ( 2834 PWs) bands (ev): -56.7058 -56.7058 -29.6300 -29.6300 -21.0245 -21.0245 -20.9445 -20.9445 -4.1561 -4.1561 -3.7987 -3.7987 -3.4235 -3.4235 -2.9820 -2.9820 -2.9036 -2.9036 -2.6384 -2.6384 -2.4219 -2.4219 3.8318 3.8318 6.0688 6.0688 6.7245 6.7245 8.0134 8.0134 8.0999 8.0999 8.3616 8.3616 8.8984 8.8984 10.5270 10.5270 13.5716 13.5716 13.7414 13.7414 13.9482 13.9482 14.7570 14.7570 k = 0.2830 0.1634-0.0000 ( 2830 PWs) bands (ev): -56.7055 -56.7055 -29.6312 -29.6312 -21.0292 -21.0292 -20.9456 -20.9456 -4.1454 -4.1454 -3.7980 -3.7980 -3.4122 -3.4122 -2.9837 -2.9837 -2.8999 -2.8999 -2.6112 -2.6112 -2.4032 -2.4032 3.8990 3.8990 5.9777 5.9777 6.6789 6.6789 7.9861 7.9861 8.1409 8.1409 8.3197 8.3197 8.9207 8.9207 10.4784 10.4784 13.5783 13.5783 13.6500 13.6500 13.9396 13.9396 14.6918 14.6918 k = 0.2925 0.1688-0.0000 ( 2838 PWs) bands (ev): -56.7053 -56.7053 -29.6325 -29.6325 -21.0341 -21.0341 -20.9466 -20.9466 -4.1354 -4.1354 -3.7973 -3.7973 -3.4013 -3.4013 -2.9855 -2.9855 -2.8962 -2.8962 -2.5831 -2.5831 -2.3845 -2.3845 3.9663 3.9663 5.8890 5.8890 6.6316 6.6316 7.9520 7.9520 8.1886 8.1886 8.2811 8.2811 8.9424 8.9424 10.4360 10.4360 13.5109 13.5109 13.5931 13.5931 13.9560 13.9560 14.6474 14.6474 k = 0.3019 0.1743-0.0000 ( 2840 PWs) bands (ev): -56.7050 -56.7050 -29.6337 -29.6337 -21.0390 -21.0390 -20.9474 -20.9474 -4.1261 -4.1261 -3.7967 -3.7967 -3.3909 -3.3909 -2.9872 -2.9872 -2.8925 -2.8925 -2.5540 -2.5540 -2.3659 -2.3659 4.0331 4.0331 5.8031 5.8031 6.5831 6.5831 7.9191 7.9191 8.2171 8.2171 8.2637 8.2637 8.9635 8.9635 10.4002 10.4002 13.3574 13.3574 13.6044 13.6044 13.9818 13.9818 14.6179 14.6179 k = 0.3113 0.1797-0.0000 ( 2840 PWs) bands (ev): -56.7047 -56.7047 -29.6348 -29.6348 -21.0438 -21.0438 -20.9481 -20.9481 -4.1173 -4.1173 -3.7961 -3.7961 -3.3809 -3.3809 -2.9889 -2.9889 -2.8887 -2.8887 -2.5241 -2.5241 -2.3474 -2.3474 4.0991 4.0991 5.7203 5.7203 6.5336 6.5336 7.8887 7.8887 8.1913 8.1913 8.3008 8.3008 8.9839 8.9839 10.3712 10.3712 13.1928 13.1928 13.6190 13.6190 14.0112 14.0112 14.5989 14.5989 k = 0.3208 0.1852-0.0000 ( 2846 PWs) bands (ev): -56.7045 -56.7045 -29.6360 -29.6360 -21.0487 -21.0487 -20.9487 -20.9487 -4.1092 -4.1092 -3.7956 -3.7956 -3.3715 -3.3715 -2.9906 -2.9906 -2.8850 -2.8850 -2.4936 -2.4936 -2.3292 -2.3292 4.1636 4.1636 5.6413 5.6413 6.4835 6.4835 7.8610 7.8610 8.1563 8.1563 8.3469 8.3469 9.0034 9.0034 10.3489 10.3489 13.0237 13.0237 13.6360 13.6360 14.0421 14.0421 14.5870 14.5870 k = 0.3302 0.1906-0.0000 ( 2850 PWs) bands (ev): -56.7043 -56.7043 -29.6372 -29.6372 -21.0535 -21.0535 -20.9492 -20.9492 -4.1017 -4.1017 -3.7951 -3.7951 -3.3626 -3.3626 -2.9923 -2.9923 -2.8814 -2.8814 -2.4628 -2.4628 -2.3113 -2.3113 4.2261 4.2261 5.5665 5.5665 6.4333 6.4333 7.8360 7.8360 8.1217 8.1217 8.3922 8.3922 9.0220 9.0220 10.3330 10.3330 12.8538 12.8538 13.6551 13.6551 14.0732 14.0732 14.5801 14.5801 k = 0.3396 0.1961-0.0000 ( 2848 PWs) bands (ev): -56.7040 -56.7040 -29.6382 -29.6382 -21.0581 -21.0581 -20.9496 -20.9496 -4.0948 -4.0948 -3.7947 -3.7947 -3.3543 -3.3543 -2.9939 -2.9939 -2.8778 -2.8778 -2.4318 -2.4318 -2.2938 -2.2938 4.2859 4.2859 5.4966 5.4966 6.3833 6.3833 7.8136 7.8136 8.0884 8.0884 8.4358 8.4358 9.0397 9.0397 10.3230 10.3230 12.6856 12.6856 13.6760 13.6760 14.1040 14.1040 14.5769 14.5769 k = 0.3491 0.2015-0.0000 ( 2848 PWs) bands (ev): -56.7038 -56.7038 -29.6392 -29.6392 -21.0627 -21.0627 -20.9499 -20.9499 -4.0884 -4.0884 -3.7943 -3.7943 -3.3464 -3.3464 -2.9954 -2.9954 -2.8742 -2.8742 -2.4009 -2.4009 -2.2766 -2.2766 4.3418 4.3418 5.4324 5.4324 6.3339 6.3339 7.7936 7.7936 8.0567 8.0567 8.4775 8.4775 9.0565 9.0565 10.3181 10.3181 12.5210 12.5210 13.6984 13.6984 14.1339 14.1339 14.5765 14.5765 k = 0.3585 0.2070-0.0000 ( 2852 PWs) bands (ev): -56.7036 -56.7036 -29.6403 -29.6403 -21.0671 -21.0671 -20.9502 -20.9502 -4.0825 -4.0825 -3.7939 -3.7939 -3.3392 -3.3392 -2.9969 -2.9969 -2.8708 -2.8708 -2.3705 -2.3705 -2.2598 -2.2598 4.3930 4.3930 5.3748 5.3748 6.2857 6.2857 7.7758 7.7758 8.0267 8.0267 8.5177 8.5177 9.0724 9.0724 10.3171 10.3171 12.3619 12.3619 13.7221 13.7221 14.1625 14.1625 14.5783 14.5783 k = 0.3679 0.2124-0.0000 ( 2860 PWs) bands (ev): -56.7034 -56.7034 -29.6413 -29.6413 -21.0714 -21.0714 -20.9504 -20.9504 -4.0771 -4.0771 -3.7937 -3.7937 -3.3325 -3.3325 -2.9984 -2.9984 -2.8676 -2.8676 -2.3406 -2.3406 -2.2435 -2.2435 4.4382 4.4382 5.3249 5.3249 6.2388 6.2388 7.7600 7.7600 7.9986 7.9986 8.5566 8.5566 9.0874 9.0874 10.3185 10.3185 12.2099 12.2099 13.7468 13.7468 14.1895 14.1895 14.5817 14.5817 k = 0.3774 0.2179-0.0000 ( 2848 PWs) bands (ev): -56.7032 -56.7032 -29.6421 -29.6421 -21.0753 -21.0753 -20.9506 -20.9506 -4.0722 -4.0722 -3.7933 -3.7933 -3.3263 -3.3263 -2.9997 -2.9997 -2.8644 -2.8644 -2.3118 -2.3118 -2.2276 -2.2276 4.4761 4.4761 5.2837 5.2837 6.1937 6.1937 7.7461 7.7461 7.9723 7.9723 8.5948 8.5948 9.1014 9.1014 10.3203 10.3203 12.0668 12.0668 13.7720 13.7720 14.2148 14.2148 14.5866 14.5866 k = 0.3868 0.2233-0.0000 ( 2846 PWs) bands (ev): -56.7030 -56.7030 -29.6429 -29.6429 -21.0790 -21.0790 -20.9507 -20.9507 -4.0678 -4.0678 -3.7931 -3.7931 -3.3206 -3.3206 -3.0010 -3.0010 -2.8614 -2.8614 -2.2843 -2.2843 -2.2121 -2.2121 4.5054 4.5054 5.2523 5.2523 6.1507 6.1507 7.7337 7.7337 7.9480 7.9480 8.6328 8.6328 9.1145 9.1145 10.3203 10.3203 11.9346 11.9346 13.7974 13.7974 14.2383 14.2383 14.5926 14.5926 k = 0.3962 0.2288-0.0000 ( 2842 PWs) bands (ev): -56.7028 -56.7028 -29.6436 -29.6436 -21.0825 -21.0825 -20.9508 -20.9508 -4.0638 -4.0638 -3.7928 -3.7928 -3.3154 -3.3154 -3.0021 -3.0021 -2.8586 -2.8586 -2.2587 -2.2587 -2.1968 -2.1968 4.5256 4.5256 5.2312 5.2312 6.1100 6.1100 7.7228 7.7228 7.9256 7.9256 8.6711 8.6711 9.1267 9.1267 10.3159 10.3159 11.8153 11.8153 13.8225 13.8225 14.2599 14.2599 14.5996 14.5996 k = 0.4057 0.2342-0.0000 ( 2842 PWs) bands (ev): -56.7027 -56.7027 -29.6444 -29.6444 -21.0858 -21.0858 -20.9509 -20.9509 -4.0602 -4.0602 -3.7926 -3.7926 -3.3108 -3.3108 -3.0032 -3.0032 -2.8560 -2.8560 -2.2353 -2.2353 -2.1816 -2.1816 4.5364 4.5364 5.2203 5.2203 6.0721 6.0721 7.7132 7.7132 7.9052 7.9052 8.7102 8.7102 9.1381 9.1381 10.3045 10.3045 11.7110 11.7110 13.8469 13.8469 14.2797 14.2797 14.6072 14.6072 k = 0.4151 0.2397-0.0000 ( 2842 PWs) bands (ev): -56.7025 -56.7025 -29.6450 -29.6450 -21.0888 -21.0888 -20.9510 -20.9510 -4.0570 -4.0570 -3.7925 -3.7925 -3.3066 -3.3066 -3.0042 -3.0042 -2.8536 -2.8536 -2.2147 -2.2147 -2.1662 -2.1662 4.5388 4.5388 5.2184 5.2184 6.0370 6.0370 7.7048 7.7048 7.8869 7.8869 8.7503 8.7503 9.1488 9.1488 10.2839 10.2839 11.6234 11.6234 13.8701 13.8701 14.2977 14.2977 14.6152 14.6152 k = 0.4245 0.2451-0.0000 ( 2842 PWs) bands (ev): -56.7024 -56.7024 -29.6456 -29.6456 -21.0916 -21.0916 -20.9511 -20.9511 -4.0542 -4.0542 -3.7923 -3.7923 -3.3029 -3.3029 -3.0051 -3.0051 -2.8514 -2.8514 -2.1973 -2.1973 -2.1507 -2.1507 4.5346 4.5346 5.2237 5.2237 6.0050 6.0050 7.6975 7.6975 7.8705 7.8705 8.7917 8.7917 9.1589 9.1589 10.2528 10.2528 11.5535 11.5535 13.8918 13.8918 14.3139 14.3139 14.6234 14.6234 k = 0.4340 0.2505-0.0000 ( 2840 PWs) bands (ev): -56.7023 -56.7023 -29.6462 -29.6462 -21.0940 -21.0940 -20.9511 -20.9511 -4.0518 -4.0518 -3.7922 -3.7922 -3.2996 -3.2996 -3.0060 -3.0060 -2.8494 -2.8494 -2.1830 -2.1830 -2.1352 -2.1352 4.5257 4.5257 5.2339 5.2339 5.9763 5.9763 7.6911 7.6911 7.8562 7.8562 8.8340 8.8340 9.1685 9.1685 10.2112 10.2112 11.5007 11.5007 13.9115 13.9115 14.3285 14.3285 14.6316 14.6316 k = 0.4434 0.2560-0.0000 ( 2838 PWs) bands (ev): -56.7022 -56.7022 -29.6466 -29.6466 -21.0961 -21.0961 -20.9511 -20.9511 -4.0497 -4.0497 -3.7921 -3.7921 -3.2968 -3.2968 -3.0066 -3.0066 -2.8477 -2.8477 -2.1714 -2.1714 -2.1204 -2.1204 4.5143 4.5143 5.2469 5.2469 5.9511 5.9511 7.6857 7.6857 7.8439 7.8439 8.8766 8.8766 9.1780 9.1780 10.1609 10.1609 11.4636 11.4636 13.9290 13.9290 14.3415 14.3415 14.6395 14.6395 k = 0.4528 0.2614-0.0000 ( 2842 PWs) bands (ev): -56.7021 -56.7021 -29.6471 -29.6471 -21.0980 -21.0980 -20.9512 -20.9512 -4.0480 -4.0480 -3.7920 -3.7920 -3.2945 -3.2945 -3.0073 -3.0073 -2.8462 -2.8462 -2.1622 -2.1622 -2.1070 -2.1070 4.5020 4.5020 5.2608 5.2608 5.9296 5.9296 7.6811 7.6811 7.8335 7.8335 8.9183 8.9183 9.1876 9.1876 10.1049 10.1049 11.4393 11.4393 13.9440 13.9440 14.3527 14.3527 14.6469 14.6469 k = 0.4623 0.2669-0.0000 ( 2842 PWs) bands (ev): -56.7020 -56.7020 -29.6474 -29.6474 -21.0995 -21.0995 -20.9512 -20.9512 -4.0466 -4.0466 -3.7920 -3.7920 -3.2926 -3.2926 -3.0078 -3.0078 -2.8450 -2.8450 -2.1549 -2.1549 -2.0954 -2.0954 4.4903 4.4903 5.2739 5.2739 5.9117 5.9117 7.6774 7.6774 7.8251 7.8251 8.9573 8.9573 9.1977 9.1977 10.0476 10.0476 11.4248 11.4248 13.9564 13.9564 14.3621 14.3621 14.6535 14.6535 k = 0.4717 0.2723-0.0000 ( 2846 PWs) bands (ev): -56.7020 -56.7020 -29.6477 -29.6477 -21.1007 -21.1007 -20.9512 -20.9512 -4.0455 -4.0455 -3.7919 -3.7919 -3.2911 -3.2911 -3.0081 -3.0081 -2.8441 -2.8441 -2.1494 -2.1494 -2.0861 -2.0861 4.4802 4.4802 5.2852 5.2852 5.8978 5.8978 7.6745 7.6745 7.8186 7.8186 8.9910 8.9910 9.2083 9.2083 9.9938 9.9938 11.4170 11.4170 13.9661 13.9661 14.3696 14.3696 14.6589 14.6589 k = 0.4811 0.2778-0.0000 ( 2846 PWs) bands (ev): -56.7020 -56.7020 -29.6479 -29.6479 -21.1015 -21.1015 -20.9512 -20.9512 -4.0447 -4.0447 -3.7919 -3.7919 -3.2900 -3.2900 -3.0084 -3.0084 -2.8434 -2.8434 -2.1455 -2.1455 -2.0793 -2.0793 4.4726 4.4726 5.2938 5.2938 5.8877 5.8877 7.6724 7.6724 7.8140 7.8140 9.0170 9.0170 9.2186 9.2186 9.9493 9.9493 11.4133 11.4133 13.9730 13.9730 14.3751 14.3751 14.6631 14.6631 k = 0.4906 0.2832-0.0000 ( 2842 PWs) bands (ev): -56.7019 -56.7019 -29.6479 -29.6479 -21.1020 -21.1020 -20.9512 -20.9512 -4.0442 -4.0442 -3.7919 -3.7919 -3.2894 -3.2894 -3.0086 -3.0086 -2.8430 -2.8430 -2.1432 -2.1432 -2.0752 -2.0752 4.4678 4.4678 5.2992 5.2992 5.8817 5.8817 7.6711 7.6711 7.8112 7.8112 9.0332 9.0332 9.2266 9.2266 9.9194 9.9194 11.4119 11.4119 13.9772 13.9772 14.3785 14.3785 14.6656 14.6656 k = 0.5000 0.2887-0.0000 ( 2854 PWs) bands (ev): -56.7019 -56.7019 -29.6481 -29.6481 -21.1023 -21.1023 -20.9513 -20.9513 -4.0441 -4.0441 -3.7919 -3.7919 -3.2892 -3.2892 -3.0087 -3.0087 -2.8429 -2.8429 -2.1424 -2.1424 -2.0738 -2.0738 4.4661 4.4661 5.3010 5.3010 5.8797 5.8797 7.6707 7.6707 7.8103 7.8103 9.0387 9.0387 9.2297 9.2297 9.9089 9.9089 11.4115 11.4115 13.9785 13.9785 14.3796 14.3796 14.6665 14.6665 k = 0.5000 0.2887-0.0000 ( 2854 PWs) bands (ev): -56.7019 -56.7019 -29.6481 -29.6481 -21.1023 -21.1023 -20.9513 -20.9513 -4.0441 -4.0441 -3.7919 -3.7919 -3.2892 -3.2892 -3.0087 -3.0087 -2.8429 -2.8429 -2.1424 -2.1424 -2.0738 -2.0738 4.4661 4.4661 5.3010 5.3010 5.8797 5.8797 7.6707 7.6707 7.8103 7.8103 9.0387 9.0387 9.2297 9.2297 9.9089 9.9089 11.4115 11.4115 13.9785 13.9785 14.3796 14.3796 14.6665 14.6665 k = 0.4946 0.2980-0.0000 ( 2842 PWs) bands (ev): -56.7019 -56.7019 -29.6482 -29.6477 -21.1030 -21.1013 -20.9514 -20.9513 -4.0443 -4.0438 -3.7918 -3.7918 -3.2896 -3.2886 -3.0086 -3.0086 -2.8430 -2.8429 -2.1427 -2.1417 -2.0760 -2.0708 4.4658 4.4697 5.2993 5.3036 5.8771 5.8820 7.6489 7.6878 7.7877 7.8341 9.0047 9.0664 9.2006 9.2510 9.9099 9.9156 11.3983 11.4262 13.9644 13.9971 14.3588 14.4039 14.6609 14.6726 k = 0.4892 0.3073-0.0000 ( 2846 PWs) bands (ev): -56.7019 -56.7019 -29.6486 -29.6476 -21.1038 -21.1003 -20.9518 -20.9515 -4.0443 -4.0434 -3.7916 -3.7916 -3.2900 -3.2879 -3.0085 -3.0084 -2.8433 -2.8432 -2.1424 -2.1404 -2.0775 -2.0671 4.4687 4.4765 5.2985 5.3070 5.8743 5.8840 7.6246 7.6942 7.7723 7.8569 8.9633 9.0862 9.1655 9.2665 9.9182 9.9295 11.3868 11.4420 13.9540 14.0206 14.3407 14.4323 14.6561 14.6791 k = 0.4839 0.3166-0.0000 ( 2854 PWs) bands (ev): -56.7019 -56.7019 -29.6489 -29.6474 -21.1045 -21.0993 -20.9525 -20.9520 -4.0443 -4.0429 -3.7913 -3.7913 -3.2902 -3.2871 -3.0082 -3.0081 -2.8439 -2.8437 -2.1416 -2.1387 -2.0782 -2.0626 4.4749 4.4866 5.2985 5.3112 5.8711 5.8858 7.5989 7.6827 7.7716 7.8775 8.9131 9.0781 9.1458 9.2790 9.9327 9.9494 11.3773 11.4586 13.9462 14.0493 14.3240 14.4652 14.6529 14.6863 k = 0.4785 0.3259-0.0000 ( 2854 PWs) bands (ev): -56.7019 -56.7019 -29.6493 -29.6473 -21.1051 -21.0981 -20.9532 -20.9527 -4.0442 -4.0422 -3.7909 -3.7909 -3.2904 -3.2861 -3.0078 -3.0077 -2.8446 -2.8444 -2.1403 -2.1365 -2.0782 -2.0573 4.4843 4.4999 5.2994 5.3163 5.8677 5.8872 7.5723 7.6578 7.7812 7.8953 8.8537 9.0259 9.1595 9.2914 9.9521 9.9741 11.3697 11.4756 13.9399 14.0830 14.3073 14.5027 14.6521 14.6947 k = 0.4731 0.3352-0.0000 ( 2860 PWs) bands (ev): -56.7019 -56.7019 -29.6497 -29.6472 -21.1056 -21.0969 -20.9542 -20.9536 -4.0439 -4.0415 -3.7904 -3.7903 -3.2904 -3.2851 -3.0073 -3.0072 -2.8456 -2.8454 -2.1385 -2.1339 -2.0776 -2.0514 4.4968 4.5164 5.3012 5.3222 5.8638 5.8883 7.5453 7.6273 7.7934 7.9098 8.7855 8.9551 9.1830 9.3057 9.9751 10.0021 11.3642 11.4926 13.9337 14.1212 14.2892 14.5446 14.6550 14.7050 k = 0.4677 0.3445-0.0000 ( 2856 PWs) bands (ev): -56.7019 -56.7018 -29.6500 -29.6470 -21.1060 -21.0955 -20.9553 -20.9547 -4.0436 -4.0407 -3.7897 -3.7897 -3.2902 -3.2840 -3.0067 -3.0066 -2.8467 -2.8464 -2.1361 -2.1308 -2.0763 -2.0447 4.5126 4.5360 5.3039 5.3288 5.8594 5.8890 7.5183 7.5946 7.8053 7.9204 8.7095 8.8736 9.2101 9.3231 10.0006 10.0325 11.3606 11.5096 13.9258 14.1618 14.2698 14.5906 14.6625 14.7180 k = 0.4624 0.3539-0.0000 ( 2856 PWs) bands (ev): -56.7018 -56.7018 -29.6504 -29.6469 -21.1064 -21.0941 -20.9565 -20.9560 -4.0431 -4.0398 -3.7890 -3.7889 -3.2900 -3.2828 -3.0060 -3.0058 -2.8480 -2.8477 -2.1333 -2.1273 -2.0744 -2.0373 4.5315 4.5588 5.3073 5.3362 5.8545 5.8891 7.4917 7.5609 7.8156 7.9265 8.6272 8.7839 9.2401 9.3442 10.0280 10.0645 11.3589 11.5261 13.9149 14.1933 14.2583 14.6396 14.6751 14.7345 k = 0.4570 0.3632-0.0000 ( 2858 PWs) bands (ev): -56.7018 -56.7018 -29.6508 -29.6469 -21.1068 -21.0926 -20.9580 -20.9575 -4.0426 -4.0389 -3.7881 -3.7880 -3.2896 -3.2816 -3.0052 -3.0050 -2.8495 -2.8492 -2.1299 -2.1235 -2.0718 -2.0292 4.5535 4.5846 5.3116 5.3442 5.8490 5.8886 7.4659 7.5273 7.8238 7.9271 8.5406 8.6876 9.2730 9.3695 10.0568 10.0977 11.3590 11.5423 13.8994 14.1835 14.2850 14.6886 14.6926 14.7564 k = 0.4516 0.3725-0.0000 ( 2862 PWs) bands (ev): -56.7018 -56.7017 -29.6512 -29.6468 -21.1070 -21.0910 -20.9595 -20.9592 -4.0420 -4.0379 -3.7872 -3.7871 -3.2892 -3.2803 -3.0043 -3.0041 -2.8512 -2.8508 -2.1260 -2.1193 -2.0688 -2.0206 4.5785 4.6135 5.3167 5.3528 5.8428 5.8874 7.4412 7.4943 7.8294 7.9207 8.4524 8.5858 9.3089 9.3989 10.0866 10.1317 11.3608 11.5581 13.8782 14.1469 14.3331 14.7138 14.7292 14.7893 k = 0.4462 0.3818-0.0000 ( 2854 PWs) bands (ev): -56.7017 -56.7017 -29.6516 -29.6468 -21.1072 -21.0893 -20.9611 -20.9610 -4.0413 -4.0368 -3.7862 -3.7861 -3.2886 -3.2789 -3.0032 -3.0030 -2.8530 -2.8525 -2.1217 -2.1148 -2.0652 -2.0114 4.6066 4.6454 5.3225 5.3620 5.8358 5.8854 7.4180 7.4623 7.8320 7.9052 8.3656 8.4798 9.3479 9.4324 10.1174 10.1664 11.3643 11.5737 13.8503 14.0991 14.3837 14.7361 14.7490 14.8385 k = 0.4409 0.3911-0.0000 ( 2854 PWs) bands (ev): -56.7017 -56.7016 -29.6520 -29.6467 -21.1074 -21.0876 -20.9631 -20.9628 -4.0405 -4.0356 -3.7851 -3.7850 -3.2880 -3.2775 -3.0021 -3.0019 -2.8549 -2.8544 -2.1169 -2.1101 -2.0612 -2.0016 4.6375 4.6802 5.3291 5.3717 5.8279 5.8824 7.3966 7.4320 7.8312 7.8771 8.2848 8.3710 9.3902 9.4701 10.1490 10.2018 11.3695 11.5892 13.8151 14.0422 14.4279 14.7396 14.7546 14.8971 k = 0.4355 0.4004-0.0000 ( 2858 PWs) bands (ev): -56.7016 -56.7016 -29.6524 -29.6468 -21.1076 -21.0858 -20.9653 -20.9646 -4.0397 -4.0345 -3.7840 -3.7839 -3.2873 -3.2761 -3.0009 -3.0006 -2.8569 -2.8564 -2.1118 -2.1051 -2.0567 -1.9914 4.6714 4.7178 5.3364 5.3819 5.8192 5.8784 7.3773 7.4036 7.8261 7.8327 8.2145 8.2610 9.4357 9.5118 10.1814 10.2377 11.3764 11.6049 13.7720 13.9761 14.4510 14.6811 14.7620 14.9105 k = 0.4301 0.4097-0.0000 ( 2859 PWs) bands (ev): -56.7016 -56.7015 -29.6529 -29.6468 -21.1077 -21.0840 -20.9676 -20.9665 -4.0388 -4.0333 -3.7829 -3.7827 -3.2865 -3.2746 -2.9996 -2.9993 -2.8591 -2.8585 -2.1063 -2.0998 -2.0519 -1.9808 4.7080 4.7581 5.3443 5.3924 5.8096 5.8733 7.3604 7.3776 7.7697 7.8149 8.1525 8.1579 9.4844 9.5576 10.2146 10.2742 11.3851 11.6209 13.7208 13.8999 14.4266 14.5640 14.7567 14.8319 k = 0.4247 0.4190-0.0000 ( 2859 PWs) bands (ev): -56.7015 -56.7015 -29.6533 -29.6469 -21.1078 -21.0821 -20.9701 -20.9683 -4.0378 -4.0321 -3.7818 -3.7815 -3.2856 -3.2732 -2.9982 -2.9979 -2.8613 -2.8607 -2.1005 -2.0945 -2.0468 -1.9699 4.7472 4.8011 5.3528 5.4032 5.7991 5.8671 7.3462 7.3544 7.6896 7.7933 8.0503 8.1143 9.5365 9.6072 10.2485 10.3112 11.3956 11.6375 13.6608 13.8121 14.3438 14.4124 14.7411 14.7634 k = 0.4194 0.4284-0.0000 ( 2855 PWs) bands (ev): -56.7015 -56.7014 -29.6537 -29.6469 -21.1079 -21.0801 -20.9726 -20.9702 -4.0369 -4.0308 -3.7806 -3.7803 -3.2847 -3.2717 -2.9967 -2.9964 -2.8635 -2.8630 -2.0944 -2.0890 -2.0413 -1.9587 4.7891 4.8466 5.3619 5.4141 5.7878 5.8596 7.3341 7.3346 7.5970 7.7524 7.9642 8.0800 9.5918 9.6607 10.2831 10.3488 11.4081 11.6550 13.5909 13.7108 14.2283 14.2495 14.6986 14.7050 k = 0.4140 0.4377-0.0000 ( 2843 PWs) bands (ev): -56.7014 -56.7013 -29.6540 -29.6469 -21.1079 -21.0780 -20.9752 -20.9720 -4.0359 -4.0296 -3.7794 -3.7791 -3.2838 -3.2703 -2.9952 -2.9949 -2.8658 -2.8652 -2.0881 -2.0834 -2.0357 -1.9473 4.8333 4.8944 5.3716 5.4251 5.7758 5.8510 7.3169 7.3256 7.4968 7.6825 7.9047 8.0511 9.6503 9.7179 10.3184 10.3868 11.4226 11.6734 13.5094 13.5948 14.0874 14.1053 14.6367 14.6571 k = 0.4086 0.4470-0.0000 ( 2843 PWs) bands (ev): -56.7013 -56.7013 -29.6544 -29.6470 -21.1080 -21.0760 -20.9779 -20.9738 -4.0349 -4.0284 -3.7782 -3.7780 -3.2829 -3.2689 -2.9936 -2.9934 -2.8681 -2.8675 -2.0817 -2.0778 -2.0299 -1.9358 4.8799 4.9443 5.3818 5.4360 5.7632 5.8412 7.3030 7.3172 7.3946 7.5886 7.8675 8.0248 9.7120 9.7787 10.3543 10.4254 11.4390 11.6927 13.4139 13.4643 13.9334 13.9862 14.5781 14.6065 k = 0.4032 0.4563-0.0000 ( 2845 PWs) bands (ev): -56.7013 -56.7012 -29.6548 -29.6471 -21.1081 -21.0740 -20.9807 -20.9756 -4.0339 -4.0272 -3.7771 -3.7768 -3.2819 -3.2675 -2.9920 -2.9918 -2.8704 -2.8698 -2.0753 -2.0722 -2.0240 -1.9244 4.9286 4.9962 5.3925 5.4468 5.7502 5.8304 7.2719 7.2917 7.3302 7.4836 7.8409 7.9995 9.7767 9.8431 10.3910 10.4643 11.4575 11.7128 13.3025 13.3218 13.7927 13.8746 14.5233 14.5569 k = 0.3978 0.4656-0.0000 ( 2845 PWs) bands (ev): -56.7012 -56.7012 -29.6552 -29.6472 -21.1082 -21.0720 -20.9835 -20.9773 -4.0330 -4.0261 -3.7760 -3.7757 -3.2809 -3.2662 -2.9904 -2.9902 -2.8727 -2.8721 -2.0688 -2.0667 -2.0180 -1.9131 4.9792 5.0498 5.4036 5.4572 5.7370 5.8188 7.1693 7.2801 7.3259 7.3783 7.8180 7.9743 9.8443 9.9109 10.4283 10.5035 11.4776 11.7331 13.1712 13.1747 13.6678 13.7700 14.4725 14.5101 k = 0.3925 0.4749-0.0000 ( 2841 PWs) bands (ev): -56.7011 -56.7011 -29.6556 -29.6473 -21.1083 -21.0700 -20.9862 -20.9789 -4.0320 -4.0250 -3.7749 -3.7746 -3.2800 -3.2649 -2.9889 -2.9887 -2.8749 -2.8742 -2.0625 -2.0614 -2.0121 -1.9020 5.0314 5.1045 5.4154 5.4670 5.7239 5.8066 7.0628 7.2371 7.3071 7.3294 7.7961 7.9484 9.9147 9.9820 10.4663 10.5431 11.4993 11.7528 13.0173 13.0334 13.5578 13.6709 14.4260 14.4668 k = 0.3871 0.4842-0.0000 ( 2841 PWs) bands (ev): -56.7011 -56.7011 -29.6559 -29.6474 -21.1085 -21.0681 -20.9889 -20.9804 -4.0311 -4.0239 -3.7740 -3.7736 -3.2791 -3.2637 -2.9874 -2.9872 -2.8770 -2.8763 -2.0563 -2.0562 -2.0062 -1.8912 5.0850 5.1600 5.4279 5.4762 5.7111 5.7939 6.9573 7.1383 7.2965 7.3368 7.7738 7.9218 9.9877 10.0561 10.5050 10.5829 11.5216 11.7699 12.8648 12.8836 13.4598 13.5760 14.3838 14.4277 k = 0.3817 0.4935-0.0000 ( 2841 PWs) bands (ev): -56.7010 -56.7010 -29.6562 -29.6475 -21.1086 -21.0662 -20.9916 -20.9818 -4.0302 -4.0229 -3.7731 -3.7727 -3.2782 -3.2626 -2.9859 -2.9857 -2.8790 -2.8783 -2.0513 -2.0503 -2.0005 -1.8808 5.1396 5.2152 5.4415 5.4846 5.6991 5.7811 6.8543 7.0322 7.2988 7.3474 7.7508 7.8942 10.0629 10.1332 10.5444 10.6228 11.5438 11.7813 12.7194 12.7305 13.3707 13.4841 14.3461 14.3927 k = 0.3763 0.5029-0.0000 ( 2849 PWs) bands (ev): -56.7010 -56.7010 -29.6566 -29.6477 -21.1088 -21.0644 -20.9942 -20.9831 -4.0294 -4.0220 -3.7722 -3.7719 -3.2773 -3.2615 -2.9845 -2.9844 -2.8808 -2.8801 -2.0467 -2.0447 -1.9950 -1.8711 5.1946 5.2690 5.4568 5.4918 5.6881 5.7685 6.7550 6.9280 7.3061 7.3610 7.7268 7.8657 10.1401 10.2128 10.5846 10.6627 11.5640 11.7815 12.5793 12.5878 13.2886 13.3949 14.3128 14.3621 k = 0.3710 0.5122-0.0000 ( 2857 PWs) bands (ev): -56.7010 -56.7009 -29.6569 -29.6478 -21.1091 -21.0627 -20.9966 -20.9843 -4.0287 -4.0212 -3.7715 -3.7712 -3.2765 -3.2606 -2.9833 -2.9831 -2.8825 -2.8818 -2.0424 -2.0395 -1.9897 -1.8620 5.2494 5.3191 5.4753 5.4978 5.6784 5.7564 6.6602 6.8277 7.3170 7.3773 7.7018 7.8364 10.2186 10.2945 10.6258 10.7024 11.5796 11.7626 12.4349 12.4794 13.2124 13.3084 14.2840 14.3357 k = 0.3656 0.5215-0.0000 ( 2865 PWs) bands (ev): -56.7010 -56.7009 -29.6573 -29.6480 -21.1093 -21.0612 -20.9989 -20.9854 -4.0280 -4.0205 -3.7709 -3.7705 -3.2758 -3.2597 -2.9822 -2.9820 -2.8840 -2.8833 -2.0385 -2.0348 -1.9849 -1.8537 5.3031 5.3623 5.4989 5.5025 5.6703 5.7452 6.5713 6.7329 7.3310 7.3959 7.6761 7.8066 10.2981 10.3779 10.6679 10.7415 11.5863 11.7158 12.3034 12.4033 13.1421 13.2253 14.2595 14.3136 k = 0.3602 0.5308-0.0000 ( 2865 PWs) bands (ev): -56.7009 -56.7009 -29.6575 -29.6481 -21.1095 -21.0599 -21.0009 -20.9862 -4.0274 -4.0198 -3.7703 -3.7699 -3.2752 -3.2589 -2.9812 -2.9811 -2.8852 -2.8845 -2.0351 -2.0306 -1.9806 -1.8464 5.3543 5.3958 5.5058 5.5291 5.6640 5.7353 6.4896 6.6452 7.3477 7.4166 7.6497 7.7765 10.3775 10.4621 10.7113 10.7789 11.5782 11.6382 12.1924 12.3629 13.0783 13.1464 14.2393 14.2955 k = 0.3548 0.5401-0.0000 ( 2869 PWs) bands (ev): -56.7009 -56.7009 -29.6577 -29.6482 -21.1097 -21.0587 -21.0026 -20.9869 -4.0269 -4.0193 -3.7699 -3.7695 -3.2746 -3.2583 -2.9804 -2.9803 -2.8862 -2.8855 -2.0322 -2.0271 -1.9768 -1.8401 5.4016 5.4192 5.5078 5.5641 5.6595 5.7272 6.4171 6.5666 7.3665 7.4387 7.6231 7.7467 10.4556 10.5458 10.7558 10.8132 11.5361 11.5496 12.1095 12.3519 13.0223 13.0736 14.2232 14.2814 k = 0.3495 0.5494-0.0000 ( 2869 PWs) bands (ev): -56.7009 -56.7008 -29.6579 -29.6483 -21.1099 -21.0578 -21.0039 -20.9874 -4.0265 -4.0189 -3.7695 -3.7691 -3.2741 -3.2578 -2.9798 -2.9797 -2.8870 -2.8863 -2.0299 -2.0243 -1.9737 -1.8350 5.4348 5.4425 5.5089 5.5987 5.6567 5.7214 6.3561 6.4998 7.3866 7.4613 7.5970 7.7182 10.5308 10.6271 10.8009 10.8413 11.4211 11.5014 12.0578 12.3591 12.9757 13.0094 14.2111 14.2709 k = 0.3441 0.5587-0.0000 ( 2857 PWs) bands (ev): -56.7008 -56.7008 -29.6579 -29.6482 -21.1100 -21.0570 -21.0048 -20.9877 -4.0262 -4.0185 -3.7692 -3.7688 -3.2738 -3.2574 -2.9793 -2.9792 -2.8875 -2.8868 -2.0281 -2.0222 -1.9713 -1.8312 5.4449 5.4745 5.5092 5.6269 5.6553 5.7184 6.3095 6.4482 7.4066 7.4826 7.5728 7.6926 10.6000 10.7032 10.8439 10.8581 11.3060 11.4460 12.0313 12.3739 12.9404 12.9576 14.2028 14.2638 k = 0.3387 0.5680-0.0000 ( 2853 PWs) bands (ev): -56.7008 -56.7008 -29.6579 -29.6482 -21.1100 -21.0566 -21.0054 -20.9879 -4.0260 -4.0183 -3.7690 -3.7687 -3.2736 -3.2571 -2.9790 -2.9790 -2.8878 -2.8871 -2.0271 -2.0209 -1.9698 -1.8289 5.4508 5.4947 5.5093 5.6442 5.6548 5.7181 6.2802 6.4155 7.4234 7.4994 7.5535 7.6733 10.6566 10.7699 10.8589 10.8730 11.2112 11.4025 12.0204 12.3872 12.9183 12.9232 14.1980 14.2598 k = 0.3333 0.5774-0.0000 ( 2853 PWs) bands (ev): -56.7008 -56.7008 -29.6579 -29.6483 -21.1101 -21.0565 -21.0056 -20.9880 -4.0259 -4.0182 -3.7690 -3.7686 -3.2735 -3.2571 -2.9789 -2.9789 -2.8879 -2.8872 -2.0267 -2.0204 -1.9693 -1.8281 5.4528 5.5012 5.5096 5.6498 5.6547 5.7184 6.2702 6.4044 7.4306 7.5062 7.5455 7.6656 10.6827 10.8100 10.8526 10.8712 11.1731 11.3866 12.0177 12.3925 12.9107 12.9110 14.1965 14.2585 k = 0.3333 0.5774-0.0000 ( 2853 PWs) bands (ev): -56.7008 -56.7008 -29.6579 -29.6483 -21.1101 -21.0565 -21.0056 -20.9880 -4.0259 -4.0182 -3.7690 -3.7686 -3.2735 -3.2571 -2.9789 -2.9789 -2.8879 -2.8872 -2.0267 -2.0204 -1.9693 -1.8281 5.4528 5.5012 5.5096 5.6498 5.6547 5.7184 6.2702 6.4044 7.4306 7.5062 7.5455 7.6656 10.6827 10.8100 10.8526 10.8712 11.1731 11.3866 12.0177 12.3925 12.9107 12.9110 14.1965 14.2585 k = 0.3279 0.5679-0.0000 ( 2855 PWs) bands (ev): -56.7008 -56.7008 -29.6579 -29.6483 -21.1101 -21.0566 -21.0054 -20.9879 -4.0260 -4.0183 -3.7690 -3.7687 -3.2736 -3.2571 -2.9790 -2.9790 -2.8879 -2.8871 -2.0271 -2.0209 -1.9699 -1.8290 5.4505 5.4953 5.5087 5.6445 5.6549 5.7183 6.2802 6.4155 7.4227 7.4988 7.5542 7.6739 10.6502 10.7497 10.8667 10.9003 11.2042 11.4015 12.0201 12.3872 12.9185 12.9235 14.1980 14.2597 k = 0.3224 0.5584-0.0000 ( 2863 PWs) bands (ev): -56.7009 -56.7008 -29.6579 -29.6483 -21.1100 -21.0570 -21.0049 -20.9878 -4.0262 -4.0186 -3.7692 -3.7688 -3.2738 -3.2574 -2.9793 -2.9792 -2.8876 -2.8869 -2.0283 -2.0224 -1.9716 -1.8316 5.4428 5.4778 5.5073 5.6299 5.6556 5.7196 6.3084 6.4468 7.4031 7.4796 7.5764 7.6958 10.5701 10.6390 10.8978 10.9428 11.2710 11.4398 12.0279 12.3745 12.9415 12.9588 14.2021 14.2628 k = 0.3169 0.5490-0.0000 ( 2863 PWs) bands (ev): -56.7009 -56.7008 -29.6578 -29.6482 -21.1097 -21.0575 -21.0040 -20.9874 -4.0266 -4.0189 -3.7695 -3.7691 -3.2743 -3.2579 -2.9796 -2.9795 -2.8872 -2.8865 -2.0303 -2.0248 -1.9746 -1.8362 5.4284 5.4512 5.5052 5.6093 5.6578 5.7245 6.3514 6.4940 7.3779 7.4537 7.6059 7.7261 10.4687 10.5176 10.9278 10.9807 11.3507 11.4919 12.0444 12.3611 12.9783 13.0116 14.2086 14.2674 k = 0.3115 0.5395-0.0000 ( 2859 PWs) bands (ev): -56.7009 -56.7009 -29.6576 -29.6481 -21.1093 -21.0581 -21.0028 -20.9870 -4.0271 -4.0195 -3.7698 -3.7694 -3.2749 -3.2585 -2.9801 -2.9800 -2.8867 -2.8859 -2.0332 -2.0284 -1.9790 -1.8428 5.4058 5.4188 5.5019 5.5879 5.6623 5.7334 6.4057 6.5531 7.3507 7.4247 7.6392 7.7614 10.3587 10.3946 10.9490 11.0114 11.4341 11.5504 12.0738 12.3544 13.0270 13.0771 14.2168 14.2729 k = 0.3060 0.5300-0.0000 ( 2859 PWs) bands (ev): -56.7009 -56.7009 -29.6573 -29.6479 -21.1088 -21.0587 -21.0014 -20.9864 -4.0278 -4.0202 -3.7702 -3.7699 -3.2757 -3.2594 -2.9806 -2.9805 -2.8861 -2.8854 -2.0370 -2.0331 -1.9847 -1.8514 5.3751 5.3834 5.4966 5.5689 5.6699 5.7461 6.4683 6.6206 7.3228 7.3945 7.6749 7.7998 10.2461 10.2735 10.9582 11.0331 11.5173 11.6112 12.1195 12.3605 13.0854 13.1514 14.2265 14.2787 k = 0.3005 0.5206-0.0000 ( 2859 PWs) bands (ev): -56.7010 -56.7010 -29.6571 -29.6478 -21.1081 -21.0594 -20.9998 -20.9858 -4.0287 -4.0210 -3.7708 -3.7704 -3.2768 -3.2605 -2.9812 -2.9811 -2.8855 -2.8847 -2.0416 -2.0390 -1.9918 -1.8621 5.3376 5.3470 5.4889 5.5533 5.6814 5.7626 6.5370 6.6940 7.2953 7.3639 7.7123 7.8403 10.1338 10.1557 10.9542 11.0444 11.5984 11.6730 12.1829 12.3838 13.1516 13.2318 14.2369 14.2842 k = 0.2951 0.5111-0.0000 ( 2859 PWs) bands (ev): -56.7010 -56.7010 -29.6567 -29.6476 -21.1072 -21.0600 -20.9981 -20.9851 -4.0297 -4.0221 -3.7713 -3.7710 -3.2781 -3.2618 -2.9818 -2.9817 -2.8848 -2.8841 -2.0472 -2.0461 -2.0002 -1.8749 5.2958 5.3107 5.4786 5.5405 5.6970 5.7829 6.6102 6.7712 7.2688 7.3336 7.7509 7.8825 10.0238 10.0421 10.9376 11.0440 11.6776 11.7364 12.2627 12.4261 13.2238 13.3164 14.2475 14.2887 k = 0.2896 0.5016-0.0000 ( 2859 PWs) bands (ev): -56.7011 -56.7011 -29.6563 -29.6473 -21.1062 -21.0606 -20.9963 -20.9842 -4.0310 -4.0234 -3.7720 -3.7717 -3.2796 -3.2634 -2.9824 -2.9823 -2.8842 -2.8835 -2.0547 -2.0537 -2.0100 -1.8899 5.2516 5.2753 5.4659 5.5295 5.7169 5.8068 6.6865 6.8506 7.2441 7.3039 7.7904 7.9258 9.9170 9.9330 10.9098 11.0321 11.7559 11.8029 12.3561 12.4869 13.3006 13.4037 14.2578 14.2915 k = 0.2842 0.4922-0.0000 ( 2859 PWs) bands (ev): -56.7012 -56.7012 -29.6559 -29.6470 -21.1049 -21.0610 -20.9943 -20.9834 -4.0324 -4.0248 -3.7727 -3.7724 -3.2814 -3.2653 -2.9830 -2.9829 -2.8837 -2.8830 -2.0647 -2.0611 -2.0209 -1.9070 5.2062 5.2407 5.4514 5.5197 5.7412 5.8344 6.7651 6.9300 7.2229 7.2753 7.8306 7.9700 9.8139 9.8287 10.8730 11.0096 11.8352 11.8736 12.4600 12.5638 13.3805 13.4924 14.2671 14.2920 k = 0.2787 0.4827-0.0000 ( 2859 PWs) bands (ev): -56.7013 -56.7013 -29.6553 -29.6467 -21.1034 -21.0612 -20.9923 -20.9824 -4.0341 -4.0265 -3.7735 -3.7732 -3.2834 -3.2674 -2.9836 -2.9834 -2.8833 -2.8826 -2.0764 -2.0694 -2.0329 -1.9262 5.1604 5.2068 5.4362 5.5110 5.7698 5.8658 6.8453 7.0048 7.2090 7.2481 7.8712 8.0149 9.7150 9.7291 10.8297 10.9785 11.9170 11.9492 12.5715 12.6533 13.4626 13.5814 14.2746 14.2899 k = 0.2732 0.4732-0.0000 ( 2857 PWs) bands (ev): -56.7014 -56.7014 -29.6547 -29.6463 -21.1018 -21.0613 -20.9903 -20.9814 -4.0359 -4.0284 -3.7744 -3.7740 -3.2858 -3.2697 -2.9841 -2.9839 -2.8830 -2.8822 -2.0900 -2.0787 -2.0457 -1.9475 5.1143 5.1726 5.4214 5.5034 5.8026 5.9008 6.9262 7.0626 7.2146 7.2225 7.9121 8.0603 9.6204 9.6341 10.7819 10.9409 12.0025 12.0298 12.6885 12.7519 13.5457 13.6695 14.2800 14.2847 k = 0.2678 0.4638-0.0000 ( 2847 PWs) bands (ev): -56.7015 -56.7015 -29.6540 -29.6458 -21.0998 -21.0612 -20.9882 -20.9803 -4.0381 -4.0305 -3.7752 -3.7749 -3.2884 -3.2724 -2.9845 -2.9843 -2.8827 -2.8820 -2.1054 -2.0888 -2.0592 -1.9708 5.0681 5.1373 5.4084 5.4971 5.8393 5.9396 7.0067 7.0852 7.1995 7.2576 7.9532 8.1059 9.5300 9.5437 10.7317 10.8991 12.0924 12.1153 12.8090 12.8566 13.6289 13.7554 14.2767 14.2824 k = 0.2623 0.4543-0.0000 ( 2847 PWs) bands (ev): -56.7016 -56.7016 -29.6533 -29.6453 -21.0976 -21.0609 -20.9861 -20.9793 -4.0404 -4.0329 -3.7761 -3.7758 -3.2913 -3.2754 -2.9849 -2.9847 -2.8827 -2.8820 -2.1229 -2.0998 -2.0733 -1.9959 5.0213 5.0997 5.3986 5.4928 5.8799 5.9820 7.0817 7.0831 7.1827 7.3287 7.9942 8.1517 9.4436 9.4574 10.6807 10.8550 12.1871 12.2056 12.9313 12.9640 13.7115 13.8374 14.2666 14.2816 k = 0.2568 0.4448-0.0000 ( 2847 PWs) bands (ev): -56.7017 -56.7017 -29.6526 -29.6448 -21.0953 -21.0604 -20.9840 -20.9782 -4.0431 -4.0355 -3.7771 -3.7768 -3.2946 -3.2788 -2.9852 -2.9850 -2.8828 -2.8821 -2.1424 -2.1117 -2.0877 -2.0228 4.9736 5.0588 5.3933 5.4908 5.9243 6.0279 7.0698 7.1273 7.1998 7.4100 8.0351 8.1975 9.3610 9.3750 10.6303 10.8105 12.2865 12.3002 13.0536 13.0713 13.7926 13.9130 14.2567 14.2773 k = 0.2514 0.4354-0.0000 ( 2847 PWs) bands (ev): -56.7019 -56.7019 -29.6518 -29.6443 -21.0927 -21.0596 -20.9819 -20.9771 -4.0460 -4.0385 -3.7780 -3.7778 -3.2983 -3.2825 -2.9854 -2.9852 -2.8831 -2.8824 -2.1638 -2.1244 -2.1027 -2.0514 4.9246 5.0140 5.3935 5.4918 5.9723 6.0774 7.0560 7.1209 7.2691 7.4947 8.0757 8.2431 9.2819 9.2960 10.5816 10.7667 12.3907 12.3989 13.1741 13.1749 13.8714 13.9771 14.2519 14.2696 k = 0.2459 0.4259-0.0000 ( 2843 PWs) bands (ev): -56.7020 -56.7020 -29.6509 -29.6437 -21.0898 -21.0587 -20.9799 -20.9760 -4.0492 -4.0417 -3.7790 -3.7788 -3.3022 -3.2865 -2.9855 -2.9853 -2.8836 -2.8828 -2.1870 -2.1380 -2.1181 -2.0815 4.8740 4.9650 5.3996 5.4964 6.0238 6.1302 7.0426 7.1061 7.3480 7.5803 8.1159 8.2884 9.2058 9.2201 10.5356 10.7250 12.4995 12.5013 13.2708 13.2904 13.9466 14.0211 14.2591 14.2613 k = 0.2404 0.4164-0.0000 ( 2843 PWs) bands (ev): -56.7022 -56.7022 -29.6500 -29.6430 -21.0867 -21.0574 -20.9778 -20.9748 -4.0527 -4.0452 -3.7801 -3.7798 -3.3066 -3.2909 -2.9856 -2.9853 -2.8843 -2.8835 -2.2117 -2.1525 -2.1339 -2.1127 4.8214 4.9119 5.4118 5.5050 6.0785 6.1862 7.0306 7.0917 7.4280 7.6658 8.1556 8.3332 9.1323 9.1467 10.4931 10.6863 12.6069 12.6129 13.3544 13.3998 14.0161 14.0374 14.2473 14.2936 k = 0.2350 0.4070-0.0000 ( 2835 PWs) bands (ev): -56.7024 -56.7023 -29.6490 -29.6423 -21.0833 -21.0559 -20.9758 -20.9737 -4.0566 -4.0490 -3.7811 -3.7808 -3.3114 -3.2958 -2.9855 -2.9852 -2.8851 -2.8844 -2.2378 -2.1682 -2.1502 -2.1446 4.7667 4.8548 5.4301 5.5179 6.1364 6.2452 7.0206 7.0790 7.5074 7.7505 8.1946 8.3774 9.0609 9.0755 10.4549 10.6513 12.7149 12.7305 13.4206 13.4990 14.0305 14.0754 14.2385 14.3456 k = 0.2295 0.3975-0.0000 ( 2837 PWs) bands (ev): -56.7026 -56.7025 -29.6480 -29.6415 -21.0798 -21.0543 -20.9738 -20.9725 -4.0608 -4.0532 -3.7821 -3.7819 -3.3165 -3.3010 -2.9854 -2.9851 -2.8862 -2.8854 -2.2652 -2.1878 -2.1744 -2.1671 4.7097 4.7941 5.4544 5.5355 6.1971 6.3068 7.0131 7.0684 7.5856 7.8337 8.2330 8.4206 8.9912 9.0063 10.4214 10.6206 12.8245 12.8520 13.4653 13.5848 14.0107 14.1134 14.2421 14.4056 k = 0.2240 0.3881-0.0000 ( 2845 PWs) bands (ev): -56.7028 -56.7028 -29.6470 -29.6408 -21.0761 -21.0524 -20.9719 -20.9714 -4.0654 -4.0578 -3.7832 -3.7830 -3.3222 -3.3067 -2.9851 -2.9848 -2.8874 -2.8867 -2.2935 -2.2176 -2.1954 -2.1843 4.6504 4.7303 5.4844 5.5580 6.2604 6.3706 7.0084 7.0604 7.6622 7.9151 8.2706 8.4626 8.9229 8.9387 10.3932 10.5946 12.9340 12.9768 13.4879 13.6549 13.9847 14.1214 14.2650 14.4600 k = 0.2186 0.3786-0.0000 ( 2841 PWs) bands (ev): -56.7030 -56.7030 -29.6459 -29.6400 -21.0722 -21.0503 -20.9702 -20.9700 -4.0703 -4.0628 -3.7843 -3.7841 -3.3282 -3.3129 -2.9848 -2.9845 -2.8889 -2.8881 -2.3227 -2.2518 -2.2131 -2.2021 4.5890 4.6638 5.5200 5.5855 6.3258 6.4361 7.0071 7.0553 7.7369 7.9940 8.3074 8.5027 8.8557 8.8731 10.3705 10.5737 13.0410 13.1037 13.4917 13.7097 13.9554 14.1098 14.2956 14.5000 k = 0.2131 0.3691-0.0000 ( 2845 PWs) bands (ev): -56.7032 -56.7032 -29.6448 -29.6392 -21.0681 -21.0480 -20.9691 -20.9681 -4.0757 -4.0682 -3.7853 -3.7851 -3.3347 -3.3196 -2.9844 -2.9841 -2.8905 -2.8897 -2.3525 -2.2872 -2.2307 -2.2202 4.5255 4.5951 5.5607 5.6179 6.3929 6.5023 7.0102 7.0535 7.8093 8.0699 8.3433 8.5396 8.7894 8.8105 10.3537 10.5580 13.1415 13.2283 13.4858 13.7542 13.9241 14.0899 14.3235 14.5296 k = 0.2077 0.3597-0.0000 ( 2845 PWs) bands (ev): -56.7034 -56.7034 -29.6436 -29.6383 -21.0637 -21.0454 -20.9679 -20.9662 -4.0815 -4.0740 -3.7864 -3.7862 -3.3417 -3.3267 -2.9839 -2.9836 -2.8922 -2.8915 -2.3827 -2.3230 -2.2485 -2.2388 4.4603 4.5245 5.6065 5.6553 6.4609 6.5679 7.0187 7.0557 7.8791 8.1420 8.3783 8.5692 8.7242 8.7547 10.3429 10.5477 13.2296 13.3315 13.4946 13.7983 13.8919 14.0658 14.3472 14.5538 k = 0.2022 0.3502-0.0000 ( 2849 PWs) bands (ev): -56.7037 -56.7037 -29.6424 -29.6374 -21.0593 -21.0427 -20.9667 -20.9643 -4.0878 -4.0803 -3.7875 -3.7873 -3.3492 -3.3344 -2.9833 -2.9830 -2.8942 -2.8935 -2.4131 -2.3588 -2.2666 -2.2576 4.3935 4.4524 5.6570 5.6975 6.5290 6.6313 7.0344 7.0625 7.9458 8.2093 8.4123 8.5790 8.6606 8.7179 10.3382 10.5427 13.2982 13.3637 13.5710 13.8540 13.8605 14.0390 14.3674 14.5742 k = 0.1967 0.3407-0.0000 ( 2849 PWs) bands (ev): -56.7039 -56.7039 -29.6411 -29.6364 -21.0547 -21.0398 -20.9655 -20.9624 -4.0946 -4.0871 -3.7886 -3.7884 -3.3572 -3.3427 -2.9826 -2.9823 -2.8962 -2.8955 -2.4436 -2.3946 -2.2851 -2.2768 4.3255 4.3793 5.7119 5.7444 6.5958 6.6899 7.0594 7.0751 8.0091 8.2697 8.4451 8.5520 8.6000 8.7172 10.3397 10.5432 13.3429 13.3482 13.6885 13.8376 13.9306 14.0106 14.3844 14.5907 k = 0.1913 0.3313-0.0000 ( 2845 PWs) bands (ev): -56.7042 -56.7041 -29.6398 -29.6354 -21.0500 -21.0368 -20.9642 -20.9605 -4.1019 -4.0944 -3.7896 -3.7895 -3.3657 -3.3514 -2.9818 -2.9816 -2.8984 -2.8977 -2.4740 -2.4299 -2.3038 -2.2962 4.2565 4.3055 5.7712 5.7959 6.6596 6.7413 7.0951 7.0962 8.0684 8.3184 8.4762 8.5009 8.5476 8.7401 10.3474 10.5490 13.3226 13.3658 13.7527 13.8824 13.9803 14.0308 14.3981 14.6034 k = 0.1858 0.3218-0.0000 ( 2837 PWs) bands (ev): -56.7044 -56.7044 -29.6385 -29.6343 -21.0452 -21.0336 -20.9628 -20.9586 -4.1097 -4.1022 -3.7907 -3.7906 -3.3747 -3.3608 -2.9810 -2.9807 -2.9007 -2.9000 -2.5040 -2.4646 -2.3227 -2.3157 4.1868 4.2312 5.8345 5.8518 6.7183 6.7838 7.1244 7.1461 8.1229 8.3421 8.4424 8.4983 8.5234 8.7703 10.3614 10.5602 13.2969 13.3736 13.7352 13.9505 14.0152 14.1487 14.4084 14.6127 k = 0.1803 0.3123-0.0000 ( 2833 PWs) bands (ev): -56.7046 -56.7046 -29.6371 -29.6332 -21.0403 -21.0302 -20.9614 -20.9566 -4.1180 -4.1106 -3.7918 -3.7917 -3.3842 -3.3706 -2.9801 -2.9799 -2.9031 -2.9024 -2.5335 -2.4986 -2.3418 -2.3355 4.1167 4.1568 5.9016 5.9118 6.7699 6.8177 7.1646 7.2087 8.1703 8.3239 8.3840 8.5098 8.5455 8.8022 10.3817 10.5767 13.2740 13.3734 13.7058 13.9205 14.1637 14.2798 14.4159 14.6199 k = 0.1749 0.3029-0.0000 ( 2831 PWs) bands (ev): -56.7049 -56.7049 -29.6358 -29.6322 -21.0354 -21.0269 -20.9599 -20.9546 -4.1270 -4.1196 -3.7929 -3.7927 -3.3942 -3.3811 -2.9792 -2.9789 -2.9055 -2.9049 -2.5624 -2.5317 -2.3610 -2.3553 4.0465 4.0826 5.9722 5.9759 6.8135 6.8448 7.2165 7.2820 8.2031 8.2765 8.3352 8.5368 8.5751 8.8340 10.4083 10.5985 13.2557 13.3702 13.6752 13.8909 14.3128 14.4004 14.4402 14.6285 k = 0.1694 0.2934-0.0000 ( 2827 PWs) bands (ev): -56.7052 -56.7051 -29.6344 -29.6310 -21.0305 -21.0235 -20.9583 -20.9526 -4.1365 -4.1292 -3.7939 -3.7938 -3.4047 -3.3920 -2.9782 -2.9780 -2.9081 -2.9074 -2.5905 -2.5636 -2.3803 -2.3751 3.9765 4.0088 6.0436 6.0462 6.8492 6.8672 7.2795 7.3634 8.1968 8.2184 8.3207 8.5676 8.6050 8.8649 10.4411 10.6256 13.2426 13.3672 13.6454 13.8622 14.4119 14.4466 14.5773 14.6529 k = 0.1639 0.2839-0.0000 ( 2823 PWs) bands (ev): -56.7054 -56.7054 -29.6330 -29.6299 -21.0257 -21.0200 -20.9566 -20.9505 -4.1466 -4.1395 -3.7950 -3.7949 -3.4155 -3.4034 -2.9772 -2.9770 -2.9106 -2.9100 -2.6177 -2.5944 -2.3996 -2.3949 3.9067 3.9357 6.1149 6.1233 6.8787 6.8868 7.3519 7.4510 8.1505 8.1567 8.3419 8.5964 8.6339 8.8946 10.4803 10.6580 13.2352 13.3664 13.6169 13.8347 14.4084 14.5227 14.7316 14.7348 k = 0.1585 0.2745-0.0000 ( 2827 PWs) bands (ev): -56.7057 -56.7057 -29.6316 -29.6288 -21.0211 -21.0166 -20.9548 -20.9483 -4.1574 -4.1504 -3.7961 -3.7961 -3.4268 -3.4152 -2.9762 -2.9760 -2.9132 -2.9126 -2.6439 -2.6237 -2.4189 -2.4147 3.8376 3.8634 6.1895 6.2032 6.9037 6.9048 7.4316 7.5431 8.0918 8.0938 8.3715 8.6216 8.6612 8.9230 10.5255 10.6955 13.2335 13.3689 13.5903 13.8085 14.4010 14.5389 14.8760 14.8901 k = 0.1530 0.2650-0.0000 ( 2815 PWs) bands (ev): -56.7059 -56.7059 -29.6302 -29.6276 -21.0165 -21.0132 -20.9527 -20.9459 -4.1687 -4.1619 -3.7972 -3.7971 -3.4383 -3.4274 -2.9751 -2.9749 -2.9157 -2.9151 -2.6689 -2.6517 -2.4381 -2.4343 3.7694 3.7923 6.2671 6.2856 6.9221 6.9258 7.5166 7.6386 8.0300 8.0308 8.4002 8.6426 8.6869 8.9501 10.5766 10.7382 13.2377 13.3753 13.5657 13.7839 14.3908 14.5338 15.0363 15.0473 k = 0.1475 0.2555-0.0000 ( 2813 PWs) bands (ev): -56.7062 -56.7062 -29.6288 -29.6264 -21.0122 -21.0100 -20.9504 -20.9435 -4.1807 -4.1740 -3.7983 -3.7983 -3.4501 -3.4400 -2.9740 -2.9739 -2.9182 -2.9176 -2.6928 -2.6781 -2.4572 -2.4538 3.7021 3.7224 6.3473 6.3703 6.9392 6.9461 7.6054 7.7363 7.9677 7.9684 8.4257 8.6587 8.7113 8.9760 10.6334 10.7859 13.2474 13.3858 13.5435 13.7612 14.3780 14.5207 15.1664 15.1930 k = 0.1421 0.2461-0.0000 ( 2815 PWs) bands (ev): -56.7065 -56.7065 -29.6274 -29.6253 -21.0082 -21.0069 -20.9479 -20.9409 -4.1933 -4.1868 -3.7994 -3.7994 -3.4621 -3.4527 -2.9730 -2.9729 -2.9206 -2.9200 -2.7154 -2.7031 -2.4760 -2.4730 3.6360 3.6539 6.4300 6.4569 6.9564 6.9654 7.6968 7.8336 7.9058 7.9090 8.4473 8.6693 8.7353 9.0009 10.6954 10.8384 13.2623 13.4003 13.5237 13.7404 14.3632 14.5034 15.1585 15.2664 k = 0.1366 0.2366-0.0000 ( 2817 PWs) bands (ev): -56.7068 -56.7068 -29.6261 -29.6241 -21.0044 -21.0039 -20.9452 -20.9382 -4.2064 -4.2002 -3.8005 -3.8005 -3.4742 -3.4656 -2.9721 -2.9719 -2.9229 -2.9224 -2.7367 -2.7264 -2.4947 -2.4920 3.5713 3.5871 6.5146 6.5450 6.9741 6.9845 7.7891 7.8410 7.8455 7.9418 8.4648 8.6745 8.7593 9.0251 10.7623 10.8954 13.2820 13.4186 13.5066 13.7218 14.3467 14.4834 15.1093 15.2318 k = 0.1311 0.2272-0.0000 ( 2821 PWs) bands (ev): -56.7071 -56.7071 -29.6248 -29.6230 -21.0011 -21.0010 -20.9422 -20.9354 -4.2201 -4.2142 -3.8017 -3.8016 -3.4864 -3.4785 -2.9712 -2.9710 -2.9250 -2.9245 -2.7567 -2.7482 -2.5130 -2.5107 3.5082 3.5219 6.6008 6.6341 6.9925 7.0038 7.7828 7.7831 7.8855 8.0423 8.4782 8.6746 8.7833 9.0489 10.8336 10.9568 13.3060 13.4402 13.4923 13.7056 14.3289 14.4615 15.0521 15.1774 k = 0.1257 0.2177-0.0000 ( 2821 PWs) bands (ev): -56.7073 -56.7073 -29.6234 -29.6219 -20.9985 -20.9979 -20.9389 -20.9323 -4.2342 -4.2286 -3.8028 -3.8027 -3.4985 -3.4914 -2.9703 -2.9703 -2.9270 -2.9266 -2.7755 -2.7685 -2.5311 -2.5290 3.4467 3.4587 6.6877 6.7233 7.0120 7.0242 7.7246 7.7247 7.9796 8.1444 8.4876 8.6701 8.8075 9.0725 10.9088 11.0220 13.3338 13.4646 13.4811 13.6921 14.3101 14.4381 14.9911 15.1174 k = 0.1202 0.2082-0.0000 ( 2829 PWs) bands (ev): -56.7076 -56.7076 -29.6222 -29.6208 -20.9961 -20.9952 -20.9354 -20.9292 -4.2488 -4.2436 -3.8039 -3.8039 -3.5105 -3.5041 -2.9697 -2.9696 -2.9288 -2.9284 -2.7930 -2.7873 -2.5488 -2.5470 3.3870 3.3974 6.7742 6.8110 7.0335 7.0469 7.6674 7.6677 8.0738 8.2466 8.4934 8.6618 8.8318 9.0963 10.9873 11.0907 13.3647 13.4729 13.4910 13.6814 14.2907 14.4136 14.9278 15.0543 k = 0.1148 0.1988-0.0000 ( 2827 PWs) bands (ev): -56.7079 -56.7079 -29.6209 -29.6197 -20.9939 -20.9928 -20.9316 -20.9258 -4.2637 -4.2589 -3.8050 -3.8050 -3.5222 -3.5166 -2.9691 -2.9691 -2.9303 -2.9299 -2.8092 -2.8046 -2.5660 -2.5645 3.3293 3.3382 6.8579 6.8941 7.0590 7.0748 7.6117 7.6123 8.1670 8.3483 8.4959 8.6501 8.8564 9.1204 11.0687 11.1625 13.3982 13.4682 13.5185 13.6742 14.2709 14.3885 14.8630 14.9894 k = 0.1093 0.1893-0.0000 ( 2825 PWs) bands (ev): -56.7081 -56.7081 -29.6197 -29.6186 -20.9918 -20.9907 -20.9277 -20.9224 -4.2789 -4.2745 -3.8061 -3.8061 -3.5337 -3.5288 -2.9687 -2.9687 -2.9316 -2.9312 -2.8242 -2.8205 -2.5828 -2.5815 3.2736 3.2813 6.9339 6.9657 7.0930 7.1145 7.5577 7.5587 8.2583 8.4489 8.4960 8.6357 8.8811 9.1451 11.1522 11.2367 13.4333 13.4672 13.5458 13.6714 14.2512 14.3628 14.7971 14.9233 k = 0.1038 0.1798-0.0000 ( 2817 PWs) bands (ev): -56.7083 -56.7083 -29.6184 -29.6175 -20.9900 -20.9888 -20.9235 -20.9188 -4.2943 -4.2903 -3.8072 -3.8072 -3.5447 -3.5405 -2.9686 -2.9686 -2.9325 -2.9322 -2.8380 -2.8351 -2.5992 -2.5981 3.2201 3.2266 6.9939 7.0174 7.1433 7.1739 7.5056 7.5071 8.3457 8.4955 8.5471 8.6200 8.9061 9.1705 11.2374 11.3129 13.4634 13.4762 13.5710 13.6743 14.2317 14.3369 14.7309 14.8565 k = 0.0984 0.1704-0.0000 ( 2813 PWs) bands (ev): -56.7086 -56.7086 -29.6172 -29.6164 -20.9884 -20.9873 -20.9193 -20.9151 -4.3098 -4.3062 -3.8082 -3.8082 -3.5554 -3.5518 -2.9686 -2.9686 -2.9331 -2.9328 -2.8507 -2.8484 -2.6150 -2.6140 3.1688 3.1743 7.0345 7.0512 7.2129 7.2507 7.4556 7.4575 8.4208 8.5027 8.5971 8.6489 8.9314 9.1966 11.3236 11.3906 13.4723 13.5107 13.5916 13.6847 14.2129 14.3108 14.6646 14.7897 k = 0.0929 0.1609-0.0000 ( 2813 PWs) bands (ev): -56.7088 -56.7088 -29.6161 -29.6154 -20.9870 -20.9859 -20.9152 -20.9115 -4.3253 -4.3221 -3.8093 -3.8093 -3.5657 -3.5626 -2.9690 -2.9689 -2.9335 -2.9331 -2.8623 -2.8605 -2.6302 -2.6294 3.1198 3.1244 7.0623 7.0752 7.2944 7.3362 7.4077 7.4102 8.4523 8.5490 8.5792 8.7421 8.9570 9.2235 11.4102 11.4691 13.4818 13.5487 13.6068 13.7031 14.1949 14.2848 14.5989 14.7235 k = 0.0874 0.1514-0.0000 ( 2817 PWs) bands (ev): -56.7090 -56.7090 -29.6150 -29.6144 -20.9857 -20.9848 -20.9110 -20.9078 -4.3407 -4.3379 -3.8103 -3.8103 -3.5754 -3.5729 -2.9695 -2.9695 -2.9335 -2.9332 -2.8729 -2.8715 -2.6449 -2.6442 3.0733 3.0771 7.0836 7.0945 7.3620 7.3621 7.3844 7.4248 8.4511 8.5589 8.6233 8.8338 8.9828 9.2511 11.4967 11.5478 13.4945 13.5869 13.6181 13.7275 14.1780 14.2589 14.5341 14.6582 k = 0.0820 0.1420-0.0000 ( 2817 PWs) bands (ev): -56.7093 -56.7093 -29.6140 -29.6135 -20.9846 -20.9838 -20.9069 -20.9042 -4.3558 -4.3534 -3.8114 -3.8114 -3.5846 -3.5825 -2.9702 -2.9702 -2.9332 -2.9329 -2.8825 -2.8815 -2.6589 -2.6583 3.0292 3.0323 7.1015 7.1112 7.3188 7.3215 7.4708 7.5140 8.4425 8.5380 8.7003 8.9220 9.0092 9.2794 11.5824 11.6262 13.5106 13.6245 13.6278 13.7548 14.1626 14.2333 14.4707 14.5947 k = 0.0765 0.1325-0.0000 ( 2811 PWs) bands (ev): -56.7095 -56.7095 -29.6129 -29.6126 -20.9836 -20.9830 -20.9028 -20.9006 -4.3706 -4.3686 -3.8123 -3.8123 -3.5932 -3.5915 -2.9710 -2.9710 -2.9327 -2.9325 -2.8912 -2.8905 -2.6722 -2.6718 2.9877 2.9902 7.1170 7.1261 7.2781 7.2815 7.5591 7.6023 8.4317 8.5170 8.7749 9.0047 9.0373 9.3081 11.6667 11.7038 13.5301 13.6376 13.6609 13.7831 14.1488 14.2078 14.4094 14.5334 k = 0.0710 0.1230-0.0000 ( 2813 PWs) bands (ev): -56.7097 -56.7097 -29.6120 -29.6117 -20.9828 -20.9823 -20.8990 -20.8972 -4.3850 -4.3833 -3.8133 -3.8133 -3.6012 -3.5999 -2.9719 -2.9719 -2.9319 -2.9318 -2.8991 -2.8985 -2.6849 -2.6845 2.9488 2.9508 7.1303 7.1394 7.2400 7.2445 7.6462 7.6888 8.4199 8.4961 8.8457 9.0567 9.0918 9.3372 11.7489 11.7797 13.5527 13.6482 13.6959 13.8109 14.1368 14.1827 14.3505 14.4750 k = 0.0656 0.1136-0.0000 ( 2809 PWs) bands (ev): -56.7098 -56.7098 -29.6111 -29.6109 -20.9821 -20.9816 -20.8952 -20.8938 -4.3988 -4.3974 -3.8142 -3.8142 -3.6087 -3.6076 -2.9730 -2.9729 -2.9311 -2.9309 -2.9061 -2.9057 -2.6968 -2.6965 2.9126 2.9142 7.1407 7.1510 7.2050 7.2118 7.7312 7.7726 8.4078 8.4758 8.9120 9.0843 9.1658 9.3664 11.8285 11.8536 13.5781 13.6599 13.7287 13.8375 14.1265 14.1580 14.2949 14.4201 k = 0.0601 0.1041-0.0000 ( 2813 PWs) bands (ev): -56.7100 -56.7100 -29.6104 -29.6102 -20.9815 -20.9812 -20.8918 -20.8906 -4.4120 -4.4109 -3.8151 -3.8151 -3.6155 -3.6147 -2.9740 -2.9740 -2.9301 -2.9300 -2.9123 -2.9120 -2.7080 -2.7078 2.8791 2.8803 7.1436 7.1565 7.1777 7.1878 7.8132 7.8531 8.3957 8.4561 8.9735 9.1101 9.2360 9.3956 11.9047 11.9246 13.6059 13.6727 13.7591 13.8621 14.1172 14.1337 14.2437 14.3695 k = 0.0546 0.0946-0.0000 ( 2825 PWs) bands (ev): -56.7102 -56.7102 -29.6097 -29.6096 -20.9811 -20.9808 -20.8885 -20.8877 -4.4243 -4.4235 -3.8159 -3.8159 -3.6218 -3.6212 -2.9751 -2.9751 -2.9291 -2.9290 -2.9179 -2.9177 -2.7184 -2.7182 2.8484 2.8493 7.1298 7.1364 7.1776 7.1821 7.8916 7.9294 8.3840 8.4374 9.0298 9.1350 9.3009 9.4243 11.9769 11.9921 13.6353 13.6865 13.7865 13.8844 14.1071 14.1101 14.1995 14.3238 k = 0.0492 0.0852-0.0000 ( 2821 PWs) bands (ev): -56.7103 -56.7103 -29.6090 -29.6089 -20.9806 -20.9804 -20.8855 -20.8849 -4.4358 -4.4352 -3.8167 -3.8166 -3.6274 -3.6270 -2.9762 -2.9762 -2.9280 -2.9280 -2.9227 -2.9225 -2.7279 -2.7278 2.8204 2.8211 7.1069 7.1099 7.1857 7.1871 7.9657 8.0011 8.3730 8.4199 9.0806 9.1591 9.3599 9.4523 12.0443 12.0557 13.6656 13.7011 13.8104 13.9039 14.0875 14.0913 14.1675 14.2837 k = 0.0437 0.0757-0.0000 ( 2813 PWs) bands (ev): -56.7104 -56.7104 -29.6083 -29.6083 -20.9802 -20.9801 -20.8827 -20.8822 -4.4464 -4.4459 -3.8173 -3.8173 -3.6324 -3.6321 -2.9772 -2.9772 -2.9277 -2.9276 -2.9261 -2.9259 -2.7366 -2.7365 2.7953 2.7958 7.0838 7.0853 7.1936 7.1941 8.0347 8.0673 8.3629 8.4036 9.1258 9.1821 9.4127 9.4792 12.1065 12.1146 13.6958 13.7163 13.8304 13.9201 14.0659 14.0665 14.1523 14.2497 k = 0.0383 0.0663-0.0000 ( 2813 PWs) bands (ev): -56.7106 -56.7106 -29.6078 -29.6078 -20.9799 -20.9798 -20.8802 -20.8799 -4.4559 -4.4556 -3.8179 -3.8179 -3.6369 -3.6367 -2.9781 -2.9781 -2.9307 -2.9307 -2.9256 -2.9255 -2.7444 -2.7443 2.7731 2.7734 7.0625 7.0634 7.2008 7.2009 8.0979 8.1273 8.3538 8.3888 9.1652 9.2036 9.4592 9.5047 12.1628 12.1682 13.7246 13.7318 13.8462 13.9319 14.0363 14.0476 14.1490 14.2221 k = 0.0328 0.0568-0.0000 ( 2811 PWs) bands (ev): -56.7107 -56.7107 -29.6073 -29.6073 -20.9796 -20.9796 -20.8780 -20.8779 -4.4643 -4.4641 -3.8185 -3.8185 -3.6407 -3.6405 -2.9790 -2.9790 -2.9337 -2.9337 -2.9246 -2.9245 -2.7512 -2.7512 2.7538 2.7540 7.0437 7.0442 7.2070 7.2070 8.1546 8.1805 8.3461 8.3755 9.1989 9.2235 9.4991 9.5283 12.2126 12.2160 13.7473 13.7505 13.8581 13.9372 14.0106 14.0315 14.1514 14.2012 k = 0.0273 0.0473-0.0000 ( 2811 PWs) bands (ev): -56.7107 -56.7107 -29.6069 -29.6069 -20.9794 -20.9794 -20.8762 -20.8761 -4.4715 -4.4714 -3.8190 -3.8190 -3.6439 -3.6438 -2.9797 -2.9797 -2.9362 -2.9362 -2.9236 -2.9236 -2.7571 -2.7571 2.7374 2.7375 7.0276 7.0279 7.2123 7.2124 8.2042 8.2261 8.3400 8.3639 9.2269 9.2413 9.5324 9.5496 12.2555 12.2574 13.7626 13.7717 13.8670 13.9325 13.9952 14.0181 14.1565 14.1868 k = 0.0219 0.0379-0.0000 ( 2811 PWs) bands (ev): -56.7108 -56.7108 -29.6066 -29.6066 -20.9793 -20.9793 -20.8747 -20.8746 -4.4775 -4.4774 -3.8194 -3.8194 -3.6465 -3.6465 -2.9804 -2.9804 -2.9382 -2.9382 -2.9228 -2.9228 -2.7620 -2.7620 2.7240 2.7240 7.0144 7.0145 7.2167 7.2167 8.2459 8.2633 8.3356 8.3542 9.2492 9.2567 9.5592 9.5682 12.2911 12.2921 13.7769 13.7871 13.8743 13.9190 13.9904 14.0072 14.1623 14.1784 k = 0.0164 0.0284-0.0000 ( 2807 PWs) bands (ev): -56.7109 -56.7109 -29.6063 -29.6063 -20.9791 -20.9791 -20.8734 -20.8734 -4.4822 -4.4822 -3.8197 -3.8197 -3.6486 -3.6486 -2.9809 -2.9809 -2.9397 -2.9397 -2.9221 -2.9221 -2.7658 -2.7658 2.7135 2.7135 7.0040 7.0041 7.2201 7.2201 8.2789 8.2912 8.3338 8.3466 9.2662 9.2693 9.5796 9.5834 12.3190 12.3194 13.7895 13.7968 13.8803 13.9041 13.9899 13.9988 14.1677 14.1746 k = 0.0109 0.0189-0.0000 ( 2807 PWs) bands (ev): -56.7109 -56.7109 -29.6061 -29.6061 -20.9791 -20.9791 -20.8726 -20.8726 -4.4856 -4.4856 -3.8199 -3.8199 -3.6500 -3.6500 -2.9813 -2.9813 -2.9408 -2.9408 -2.9216 -2.9216 -2.7686 -2.7686 2.7060 2.7060 6.9966 6.9966 7.2226 7.2226 8.3021 8.3082 8.3357 8.3419 9.2779 9.2788 9.5938 9.5949 12.3391 12.3392 13.7991 13.8022 13.8844 13.8927 13.9901 13.9931 14.1719 14.1740 k = 0.0055 0.0095-0.0000 ( 2809 PWs) bands (ev): -56.7109 -56.7109 -29.6060 -29.6060 -20.9790 -20.9790 -20.8721 -20.8721 -4.4876 -4.4876 -3.8200 -3.8200 -3.6509 -3.6509 -2.9815 -2.9815 -2.9415 -2.9415 -2.9213 -2.9213 -2.7703 -2.7703 2.7015 2.7015 6.9921 6.9921 7.2240 7.2240 8.3143 8.3153 8.3400 8.3410 9.2847 9.2848 9.6020 9.6021 12.3512 12.3512 13.8047 13.8051 13.8857 13.8869 13.9898 13.9903 14.1744 14.1746 k = 0.0000 0.0000 0.0000 ( 2805 PWs) bands (ev): -56.7109 -56.7109 -29.6060 -29.6060 -20.9790 -20.9790 -20.8719 -20.8719 -4.4883 -4.4883 -3.8201 -3.8201 -3.6512 -3.6512 -2.9816 -2.9816 -2.9417 -2.9417 -2.9212 -2.9212 -2.7708 -2.7708 2.7000 2.7000 6.9906 6.9906 7.2245 7.2245 8.3171 8.3171 8.3420 8.3420 9.2869 9.2869 9.6047 9.6047 12.3553 12.3553 13.8062 13.8062 13.8855 13.8855 13.9896 13.9896 14.1751 14.1751 k = 0.0000 0.0000 0.0000 ( 2805 PWs) bands (ev): -56.7109 -56.7109 -29.6060 -29.6060 -20.9790 -20.9790 -20.8719 -20.8719 -4.4883 -4.4883 -3.8201 -3.8201 -3.6512 -3.6512 -2.9816 -2.9816 -2.9417 -2.9417 -2.9212 -2.9212 -2.7708 -2.7708 2.7000 2.7000 6.9906 6.9906 7.2245 7.2245 8.3171 8.3171 8.3420 8.3420 9.2869 9.2869 9.6047 9.6047 12.3553 12.3553 13.8062 13.8062 13.8855 13.8855 13.9896 13.9896 14.1751 14.1751 k = 0.0000 0.0000 0.0109 ( 2811 PWs) bands (ev): -56.7109 -56.7109 -29.6060 -29.6060 -20.9790 -20.9790 -20.8719 -20.8719 -4.4871 -4.4871 -3.8201 -3.8201 -3.6524 -3.6524 -2.9816 -2.9816 -2.9512 -2.9512 -2.9212 -2.9212 -2.7614 -2.7614 2.7037 2.7037 6.8833 6.8833 7.3330 7.3330 8.3170 8.3174 8.3428 8.3428 9.2867 9.2867 9.6039 9.6049 12.3519 12.3519 13.8051 13.8051 13.8765 13.8955 13.9912 13.9912 14.1655 14.1847 k = 0.0000 0.0000 0.0217 ( 2811 PWs) bands (ev): -56.7109 -56.7109 -29.6060 -29.6060 -20.9790 -20.9790 -20.8719 -20.8719 -4.4836 -4.4836 -3.8201 -3.8201 -3.6559 -3.6559 -2.9816 -2.9816 -2.9751 -2.9751 -2.9212 -2.9212 -2.7377 -2.7377 2.7148 2.7148 6.7087 6.7087 7.5107 7.5107 8.3172 8.3180 8.3457 8.3457 9.2860 9.2860 9.6027 9.6046 12.3418 12.3418 13.8020 13.8020 13.8686 13.9061 13.9959 13.9959 14.1560 14.1942 k = 0.0000 0.0000 0.0326 ( 2805 PWs) bands (ev): -56.7109 -56.7109 -29.6060 -29.6060 -20.9790 -20.9790 -20.8719 -20.8719 -4.4777 -4.4777 -3.8201 -3.8201 -3.6619 -3.6619 -3.0060 -3.0060 -2.9816 -2.9816 -2.9212 -2.9212 -2.7071 -2.7071 2.7332 2.7332 6.5263 6.5263 7.6971 7.6971 8.3176 8.3187 8.3514 8.3514 9.2849 9.2849 9.6010 9.6038 12.3248 12.3248 13.7971 13.7971 13.8619 13.9173 14.0034 14.0034 14.1470 14.2035 k = 0.0000 0.0000 0.0435 ( 2811 PWs) bands (ev): -56.7109 -56.7109 -29.6060 -29.6060 -20.9791 -20.9791 -20.8719 -20.8719 -4.4694 -4.4694 -3.8201 -3.8201 -3.6705 -3.6705 -3.0396 -3.0396 -2.9816 -2.9816 -2.9212 -2.9212 -2.6738 -2.6738 2.7590 2.7590 6.3434 6.3434 7.8825 7.8825 8.3182 8.3196 8.3627 8.3627 9.2835 9.2835 9.5989 9.6025 12.3006 12.3006 13.7908 13.7908 13.8565 13.9287 14.0131 14.0131 14.1386 14.2123 k = 0.0000 0.0000 0.0543 ( 2823 PWs) bands (ev): -56.7110 -56.7110 -29.6061 -29.6061 -20.9792 -20.9792 -20.8719 -20.8719 -4.4589 -4.4589 -3.8201 -3.8201 -3.6818 -3.6818 -3.0735 -3.0735 -2.9816 -2.9816 -2.9212 -2.9212 -2.6399 -2.6399 2.7921 2.7921 6.1618 6.1618 8.0566 8.0566 8.3190 8.3207 8.3875 8.3875 9.2817 9.2817 9.5965 9.6008 12.2689 12.2689 13.7837 13.7837 13.8523 13.9398 14.0245 14.0245 14.1314 14.2205 k = 0.0000 0.0000 0.0652 ( 2823 PWs) bands (ev): -56.7110 -56.7110 -29.6061 -29.6061 -20.9792 -20.9792 -20.8719 -20.8719 -4.4460 -4.4460 -3.8201 -3.8201 -3.6959 -3.6959 -3.1064 -3.1064 -2.9816 -2.9816 -2.9212 -2.9212 -2.6064 -2.6064 2.8324 2.8324 5.9823 5.9823 8.1929 8.1929 8.3200 8.3220 8.4515 8.4515 9.2798 9.2798 9.5937 9.5987 12.2294 12.2294 13.7760 13.7760 13.8494 13.9500 14.0372 14.0372 14.1256 14.2282 k = 0.0000 0.0000 0.0761 ( 2823 PWs) bands (ev): -56.7110 -56.7110 -29.6061 -29.6061 -20.9792 -20.9792 -20.8719 -20.8719 -4.4309 -4.4309 -3.8201 -3.8201 -3.7131 -3.7131 -3.1374 -3.1374 -2.9816 -2.9816 -2.9212 -2.9212 -2.5742 -2.5742 2.8798 2.8798 5.8054 5.8054 8.2620 8.2620 8.3211 8.3233 8.5833 8.5833 9.2780 9.2780 9.5908 9.5962 12.1816 12.1816 13.7681 13.7681 13.8477 13.9586 14.0507 14.0507 14.1220 14.2350 k = 0.0000 0.0000 0.0869 ( 2835 PWs) bands (ev): -56.7110 -56.7110 -29.6062 -29.6062 -20.9792 -20.9792 -20.8720 -20.8720 -4.4136 -4.4136 -3.8201 -3.8201 -3.7333 -3.7333 -3.1661 -3.1661 -2.9816 -2.9816 -2.9213 -2.9213 -2.5436 -2.5436 2.9343 2.9343 5.6314 5.6314 8.2895 8.2895 8.3224 8.3247 8.7565 8.7565 9.2767 9.2767 9.5877 9.5935 12.1249 12.1249 13.7601 13.7601 13.8473 13.9650 14.0647 14.0647 14.1210 14.2410 k = 0.0000 0.0000 0.0978 ( 2823 PWs) bands (ev): -56.7110 -56.7110 -29.6061 -29.6061 -20.9791 -20.9791 -20.8720 -20.8720 -4.3941 -4.3941 -3.8201 -3.8201 -3.7565 -3.7565 -3.1919 -3.1919 -2.9816 -2.9816 -2.9212 -2.9212 -2.5148 -2.5148 2.9958 2.9958 5.4605 5.4605 8.3027 8.3027 8.3237 8.3262 8.9419 8.9419 9.2772 9.2772 9.5846 9.5905 12.0590 12.0590 13.7523 13.7523 13.8481 13.9687 14.0789 14.0789 14.1231 14.2461 k = 0.0000 0.0000 0.1087 ( 2823 PWs) bands (ev): -56.7110 -56.7110 -29.6061 -29.6061 -20.9791 -20.9791 -20.8720 -20.8720 -4.3726 -4.3726 -3.8201 -3.8201 -3.7827 -3.7827 -3.2148 -3.2148 -2.9816 -2.9816 -2.9212 -2.9212 -2.4883 -2.4883 3.0640 3.0640 5.2929 5.2929 8.3105 8.3105 8.3252 8.3276 9.1229 9.1229 9.2870 9.2870 9.5815 9.5874 11.9832 11.9832 13.7447 13.7447 13.8501 13.9692 14.0930 14.0930 14.1284 14.2500 k = 0.0000 0.0000 0.1195 ( 2823 PWs) bands (ev): -56.7110 -56.7110 -29.6061 -29.6061 -20.9791 -20.9791 -20.8720 -20.8720 -4.3491 -4.3491 -3.8201 -3.8201 -3.8115 -3.8115 -3.2346 -3.2346 -2.9816 -2.9816 -2.9212 -2.9212 -2.4642 -2.4642 3.1390 3.1390 5.1290 5.1290 8.3159 8.3159 8.3266 8.3290 9.2316 9.2316 9.3703 9.3703 9.5786 9.5843 11.8974 11.8974 13.7376 13.7376 13.8531 13.9671 14.1067 14.1067 14.1364 14.2528 k = 0.0000 0.0000 0.1304 ( 2805 PWs) bands (ev): -56.7109 -56.7109 -29.6059 -29.6059 -20.9790 -20.9790 -20.8719 -20.8719 -4.3237 -4.3237 -3.8426 -3.8426 -3.8201 -3.8201 -3.2513 -3.2513 -2.9816 -2.9816 -2.9212 -2.9212 -2.4425 -2.4425 3.2206 3.2206 4.9689 4.9689 8.3200 8.3200 8.3281 8.3303 9.2469 9.2469 9.5469 9.5469 9.5758 9.5812 11.8012 11.8012 13.7309 13.7309 13.8571 13.9626 14.1199 14.1199 14.1465 14.2543 k = 0.0000 0.0000 0.1413 ( 2805 PWs) bands (ev): -56.7109 -56.7109 -29.6059 -29.6059 -20.9790 -20.9790 -20.8719 -20.8719 -4.2966 -4.2966 -3.8756 -3.8756 -3.8201 -3.8201 -3.2653 -3.2653 -2.9816 -2.9816 -2.9212 -2.9212 -2.4236 -2.4236 3.3086 3.3086 4.8127 4.8127 8.3233 8.3233 8.3294 8.3315 9.2485 9.2485 9.5733 9.5783 9.7358 9.7358 11.6947 11.6947 13.7248 13.7248 13.8620 13.9564 14.1322 14.1322 14.1580 14.2545 k = 0.0000 0.0000 0.1521 ( 2805 PWs) bands (ev): -56.7109 -56.7109 -29.6059 -29.6059 -20.9790 -20.9790 -20.8719 -20.8719 -4.2679 -4.2679 -3.9099 -3.9099 -3.8201 -3.8201 -3.2767 -3.2767 -2.9816 -2.9816 -2.9212 -2.9211 -2.4074 -2.4074 3.4027 3.4027 4.6608 4.6608 8.3259 8.3259 8.3307 8.3325 9.2478 9.2478 9.5712 9.5756 9.9248 9.9248 11.5781 11.5781 13.7195 13.7195 13.8677 13.9491 14.1434 14.1434 14.1701 14.2533 k = 0.0000 0.0000 0.1630 ( 2800 PWs) bands (ev): -56.7109 -56.7109 -29.6059 -29.6059 -20.9789 -20.9789 -20.8719 -20.8719 -4.2378 -4.2378 -3.9451 -3.9451 -3.8201 -3.8201 -3.2856 -3.2856 -2.9816 -2.9816 -2.9212 -2.9211 -2.3940 -2.3940 3.5028 3.5028 4.5135 4.5135 8.3279 8.3279 8.3318 8.3334 9.2467 9.2467 9.5694 9.5731 10.1111 10.1111 11.4519 11.4519 13.7149 13.7149 13.8742 13.9409 14.1532 14.1532 14.1824 14.2507 k = 0.0000 0.0000 0.1739 ( 2812 PWs) bands (ev): -56.7109 -56.7109 -29.6060 -29.6060 -20.9790 -20.9790 -20.8719 -20.8719 -4.2068 -4.2068 -3.9804 -3.9804 -3.8201 -3.8201 -3.2924 -3.2924 -2.9816 -2.9816 -2.9212 -2.9212 -2.3836 -2.3836 3.6086 3.6086 4.3709 4.3709 8.3295 8.3295 8.3328 8.3340 9.2455 9.2455 9.5681 9.5710 10.2928 10.2928 11.3175 11.3175 13.7112 13.7112 13.8814 13.9323 14.1614 14.1614 14.1945 14.2466 k = 0.0000 0.0000 0.1847 ( 2824 PWs) bands (ev): -56.7110 -56.7110 -29.6061 -29.6061 -20.9791 -20.9791 -20.8720 -20.8720 -4.1757 -4.1757 -4.0147 -4.0147 -3.8201 -3.8201 -3.2971 -3.2971 -2.9816 -2.9816 -2.9212 -2.9212 -2.3761 -2.3761 3.7192 3.7192 4.2340 4.2340 8.3306 8.3306 8.3336 8.3344 9.2445 9.2445 9.5673 9.5693 10.4668 10.4668 11.1773 11.1773 13.7085 13.7085 13.8890 13.9234 14.1676 14.1676 14.2059 14.2411 k = 0.0000 0.0000 0.1956 ( 2824 PWs) bands (ev): -56.7110 -56.7110 -29.6061 -29.6061 -20.9791 -20.9791 -20.8720 -20.8720 -4.1473 -4.1473 -4.0451 -4.0451 -3.8201 -3.8201 -3.2998 -3.2998 -2.9816 -2.9816 -2.9212 -2.9212 -2.3716 -2.3716 3.8322 3.8322 4.1052 4.1052 8.3313 8.3313 8.3341 8.3346 9.2439 9.2439 9.5671 9.5680 10.6242 10.6242 11.0403 11.0403 13.7069 13.7069 13.8972 13.9145 14.1714 14.1714 14.2164 14.2342 k = 0.0000 0.0000 0.2065 ( 2830 PWs) bands (ev): -56.7110 -56.7110 -29.6061 -29.6061 -20.9791 -20.9791 -20.8720 -20.8720 -4.1327 -4.1327 -4.0604 -4.0604 -3.8201 -3.8201 -3.3008 -3.3008 -2.9816 -2.9816 -2.9212 -2.9212 -2.3701 -2.3701 3.9139 3.9139 4.0183 4.0183 8.3315 8.3315 8.3345 8.3345 9.2437 9.2437 9.5673 9.5673 10.7113 10.7113 10.9600 10.9600 13.7063 13.7063 13.9057 13.9057 14.1728 14.1728 14.2259 14.2259 k = 0.0000 0.0000 0.2065 ( 2830 PWs) bands (ev): -56.7110 -56.7110 -29.6061 -29.6061 -20.9791 -20.9791 -20.8720 -20.8720 -4.1327 -4.1327 -4.0604 -4.0604 -3.8201 -3.8201 -3.3008 -3.3008 -2.9816 -2.9816 -2.9212 -2.9212 -2.3701 -2.3701 3.9139 3.9139 4.0183 4.0183 8.3315 8.3315 8.3345 8.3345 9.2437 9.2437 9.5673 9.5673 10.7113 10.7113 10.9600 10.9600 13.7063 13.7063 13.9057 13.9057 14.1728 14.1728 14.2259 14.2259 k = 0.0094 0.0054 0.2065 ( 2826 PWs) bands (ev): -56.7110 -56.7110 -29.6061 -29.6061 -20.9791 -20.9791 -20.8722 -20.8722 -4.1326 -4.1326 -4.0593 -4.0593 -3.8201 -3.8201 -3.3007 -3.3007 -2.9815 -2.9815 -2.9213 -2.9213 -2.3697 -2.3697 3.9149 3.9149 4.0197 4.0197 8.3273 8.3273 8.3350 8.3350 9.2408 9.2408 9.5638 9.5638 10.7117 10.7117 10.9601 10.9601 13.7074 13.7074 13.9040 13.9040 14.1649 14.1649 14.2197 14.2197 k = 0.0189 0.0109 0.2065 ( 2818 PWs) bands (ev): -56.7109 -56.7109 -29.6062 -29.6062 -20.9791 -20.9791 -20.8726 -20.8726 -4.1323 -4.1323 -4.0559 -4.0559 -3.8199 -3.8199 -3.3005 -3.3005 -2.9813 -2.9813 -2.9214 -2.9214 -2.3684 -2.3684 3.9181 3.9181 4.0239 4.0239 8.3136 8.3136 8.3377 8.3377 9.2320 9.2320 9.5535 9.5535 10.7130 10.7130 10.9604 10.9604 13.7107 13.7107 13.8983 13.8983 14.1393 14.1393 14.2086 14.2086 k = 0.0283 0.0163 0.2065 ( 2814 PWs) bands (ev): -56.7109 -56.7109 -29.6063 -29.6063 -20.9792 -20.9792 -20.8735 -20.8735 -4.1317 -4.1317 -4.0503 -4.0503 -3.8196 -3.8196 -3.3003 -3.3003 -2.9809 -2.9809 -2.9216 -2.9216 -2.3663 -2.3663 3.9233 3.9233 4.0308 4.0308 8.2909 8.2909 8.3422 8.3422 9.2174 9.2174 9.5366 9.5366 10.7150 10.7150 10.9606 10.9606 13.7156 13.7156 13.8871 13.8871 14.1007 14.1007 14.1994 14.1994 k = 0.0377 0.0218 0.2065 ( 2810 PWs) bands (ev): -56.7108 -56.7108 -29.6066 -29.6066 -20.9792 -20.9792 -20.8746 -20.8746 -4.1309 -4.1309 -4.0425 -4.0425 -3.8193 -3.8193 -3.2999 -3.2999 -2.9804 -2.9804 -2.9219 -2.9219 -2.3633 -2.3633 3.9306 3.9306 4.0405 4.0405 8.2595 8.2595 8.3486 8.3486 9.1970 9.1970 9.5134 9.5134 10.7178 10.7178 10.9605 10.9605 13.7213 13.7213 13.8670 13.8670 14.0613 14.0613 14.1913 14.1913 k = 0.0472 0.0272 0.2065 ( 2806 PWs) bands (ev): -56.7107 -56.7107 -29.6068 -29.6068 -20.9794 -20.9794 -20.8761 -20.8761 -4.1300 -4.1300 -4.0324 -4.0324 -3.8188 -3.8188 -3.2995 -3.2995 -2.9797 -2.9797 -2.9223 -2.9223 -2.3595 -2.3595 3.9400 3.9400 4.0529 4.0529 8.2198 8.2198 8.3568 8.3568 9.1708 9.1708 9.4847 9.4847 10.7212 10.7212 10.9595 10.9595 13.7261 13.7261 13.8340 13.8340 14.0315 14.0315 14.1837 14.1837 k = 0.0566 0.0327 0.2065 ( 2806 PWs) bands (ev): -56.7106 -56.7106 -29.6072 -29.6072 -20.9796 -20.9796 -20.8779 -20.8779 -4.1288 -4.1288 -4.0202 -4.0202 -3.8183 -3.8183 -3.2989 -3.2989 -2.9789 -2.9789 -2.9227 -2.9227 -2.3548 -2.3548 3.9515 3.9515 4.0680 4.0680 8.1722 8.1722 8.3667 8.3667 9.1389 9.1389 9.4509 9.4509 10.7251 10.7251 10.9572 10.9572 13.7247 13.7247 13.7920 13.7920 14.0155 14.0155 14.1769 14.1769 k = 0.0660 0.0381 0.2065 ( 2800 PWs) bands (ev): -56.7105 -56.7105 -29.6076 -29.6076 -20.9798 -20.9798 -20.8799 -20.8799 -4.1274 -4.1274 -4.0058 -4.0058 -3.8176 -3.8176 -3.2982 -3.2982 -2.9780 -2.9780 -2.9232 -2.9232 -2.3493 -2.3493 3.9651 3.9651 4.0857 4.0857 8.1174 8.1174 8.3783 8.3783 9.1013 9.1013 9.4128 9.4128 10.7293 10.7293 10.9531 10.9531 13.6944 13.6944 13.7671 13.7671 14.0103 14.0103 14.1724 14.1724 k = 0.0755 0.0436 0.2065 ( 2800 PWs) bands (ev): -56.7104 -56.7104 -29.6082 -29.6082 -20.9800 -20.9800 -20.8823 -20.8823 -4.1258 -4.1258 -3.9893 -3.9893 -3.8168 -3.8168 -3.2975 -3.2975 -2.9769 -2.9769 -2.9237 -2.9237 -2.3430 -2.3430 3.9808 3.9808 4.1060 4.1060 8.0558 8.0558 8.3915 8.3915 9.0582 9.0582 9.3711 9.3711 10.7337 10.7337 10.9469 10.9469 13.6328 13.6328 13.7669 13.7669 14.0104 14.0104 14.1726 14.1726 k = 0.0849 0.0490 0.2065 ( 2804 PWs) bands (ev): -56.7103 -56.7103 -29.6088 -29.6088 -20.9804 -20.9804 -20.8850 -20.8850 -4.1240 -4.1240 -3.9708 -3.9708 -3.8160 -3.8160 -3.2967 -3.2967 -2.9758 -2.9758 -2.9243 -2.9243 -2.3359 -2.3359 3.9985 3.9985 4.1288 4.1288 7.9882 7.9882 8.4063 8.4063 9.0096 9.0096 9.3263 9.3263 10.7380 10.7380 10.9381 10.9381 13.5613 13.5613 13.7736 13.7736 14.0107 14.0107 14.1800 14.1800 k = 0.0943 0.0545 0.2065 ( 2808 PWs) bands (ev): -56.7102 -56.7102 -29.6095 -29.6095 -20.9809 -20.9809 -20.8879 -20.8879 -4.1221 -4.1221 -3.9503 -3.9503 -3.8150 -3.8150 -3.2957 -3.2957 -2.9746 -2.9746 -2.9249 -2.9249 -2.3279 -2.3279 4.0184 4.0184 4.1541 4.1541 7.9150 7.9150 8.4225 8.4225 8.9557 8.9557 9.2792 9.2792 10.7420 10.7420 10.9267 10.9267 13.4868 13.4868 13.7833 13.7833 14.0079 14.0079 14.1966 14.1966 k = 0.1038 0.0599 0.2065 ( 2818 PWs) bands (ev): -56.7100 -56.7100 -29.6103 -29.6103 -20.9814 -20.9814 -20.8910 -20.8910 -4.1200 -4.1200 -3.9278 -3.9278 -3.8139 -3.8139 -3.2947 -3.2947 -2.9734 -2.9734 -2.9255 -2.9255 -2.3192 -2.3192 4.0403 4.0403 4.1818 4.1818 7.8369 7.8369 8.4401 8.4401 8.8968 8.8968 9.2303 9.2303 10.7453 10.7453 10.9124 10.9124 13.4115 13.4115 13.7954 13.7954 14.0011 14.0011 14.2223 14.2223 k = 0.1132 0.0654 0.2065 ( 2812 PWs) bands (ev): -56.7098 -56.7098 -29.6110 -29.6110 -20.9820 -20.9820 -20.8943 -20.8943 -4.1177 -4.1177 -3.9036 -3.9036 -3.8125 -3.8125 -3.2936 -3.2936 -2.9721 -2.9721 -2.9260 -2.9260 -2.3097 -2.3097 4.0643 4.0643 4.2118 4.2118 7.7545 7.7545 8.4589 8.4589 8.8332 8.8332 9.1801 9.1801 10.7475 10.7475 10.8954 10.8954 13.3371 13.3371 13.8097 13.8097 13.9918 13.9918 14.2556 14.2556 k = 0.1226 0.0708 0.2065 ( 2812 PWs) bands (ev): -56.7097 -56.7097 -29.6118 -29.6118 -20.9826 -20.9826 -20.8978 -20.8978 -4.1153 -4.1153 -3.8780 -3.8780 -3.8106 -3.8106 -3.2924 -3.2924 -2.9708 -2.9708 -2.9264 -2.9264 -2.2993 -2.2993 4.0903 4.0903 4.2440 4.2440 7.6684 7.6684 8.4786 8.4786 8.7654 8.7654 9.1289 9.1289 10.7484 10.7484 10.8757 10.8757 13.2646 13.2646 13.8254 13.8254 13.9821 13.9821 14.2945 14.2945 k = 0.1321 0.0763 0.2065 ( 2812 PWs) bands (ev): -56.7095 -56.7095 -29.6127 -29.6127 -20.9834 -20.9834 -20.9014 -20.9014 -4.1128 -4.1128 -3.8518 -3.8518 -3.8075 -3.8075 -3.2910 -3.2910 -2.9696 -2.9696 -2.9267 -2.9267 -2.2883 -2.2883 4.1183 4.1183 4.2783 4.2783 7.5791 7.5791 8.4985 8.4985 8.6943 8.6943 9.0771 9.0771 10.7474 10.7474 10.8536 10.8536 13.1953 13.1953 13.8402 13.8402 13.9755 13.9755 14.3374 14.3374 k = 0.1415 0.0817 0.2065 ( 2812 PWs) bands (ev): -56.7093 -56.7093 -29.6136 -29.6136 -20.9844 -20.9844 -20.9051 -20.9051 -4.1101 -4.1101 -3.8289 -3.8289 -3.7992 -3.7992 -3.2896 -3.2896 -2.9685 -2.9685 -2.9269 -2.9269 -2.2765 -2.2765 4.1484 4.1484 4.3146 4.3146 7.4871 7.4871 8.5161 8.5161 8.6229 8.6229 9.0249 9.0249 10.7440 10.7440 10.8295 10.8295 13.1300 13.1300 13.8503 13.8503 13.9765 13.9765 14.3831 14.3831 k = 0.1509 0.0871 0.2065 ( 2814 PWs) bands (ev): -56.7091 -56.7091 -29.6146 -29.6146 -20.9855 -20.9855 -20.9089 -20.9089 -4.1073 -4.1073 -3.8175 -3.8175 -3.7778 -3.7778 -3.2881 -3.2881 -2.9676 -2.9676 -2.9268 -2.9268 -2.2640 -2.2640 4.1804 4.1804 4.3527 4.3527 7.3930 7.3930 8.5088 8.5088 8.5740 8.5740 8.9726 8.9726 10.7377 10.7377 10.8038 10.8038 13.0695 13.0695 13.8521 13.8521 13.9891 13.9891 14.4306 14.4306 k = 0.1604 0.0926 0.2065 ( 2818 PWs) bands (ev): -56.7088 -56.7088 -29.6157 -29.6157 -20.9868 -20.9868 -20.9127 -20.9127 -4.1045 -4.1045 -3.8134 -3.8134 -3.7475 -3.7475 -3.2864 -3.2864 -2.9668 -2.9668 -2.9264 -2.9264 -2.2508 -2.2508 4.2145 4.2145 4.3926 4.3926 7.2972 7.2972 8.4426 8.4426 8.5815 8.5815 8.9206 8.9206 10.7277 10.7277 10.7772 10.7772 13.0149 13.0149 13.8459 13.8459 14.0130 14.0130 14.4790 14.4790 k = 0.1698 0.0980 0.2065 ( 2822 PWs) bands (ev): -56.7086 -56.7086 -29.6168 -29.6168 -20.9883 -20.9883 -20.9164 -20.9164 -4.1015 -4.1015 -3.8112 -3.8112 -3.7138 -3.7138 -3.2846 -3.2846 -2.9663 -2.9663 -2.9257 -2.9257 -2.2369 -2.2369 4.2504 4.2504 4.4340 4.4340 7.2001 7.2001 8.3609 8.3609 8.6023 8.6023 8.8692 8.8692 10.7132 10.7132 10.7508 10.7508 12.9666 12.9666 13.8350 13.8350 14.0450 14.0450 14.5276 14.5276 k = 0.1792 0.1035 0.2065 ( 2830 PWs) bands (ev): -56.7084 -56.7084 -29.6179 -29.6179 -20.9902 -20.9902 -20.9201 -20.9201 -4.0986 -4.0986 -3.8095 -3.8095 -3.6783 -3.6783 -3.2826 -3.2826 -2.9660 -2.9660 -2.9247 -2.9247 -2.2225 -2.2225 4.2882 4.2882 4.4767 4.4767 7.1021 7.1021 8.2751 8.2751 8.6245 8.6245 8.8194 8.8194 10.6932 10.6932 10.7254 10.7254 12.9254 12.9254 13.8219 13.8219 14.0819 14.0819 14.5758 14.5758 k = 0.1887 0.1089 0.2065 ( 2830 PWs) bands (ev): -56.7081 -56.7081 -29.6191 -29.6191 -20.9922 -20.9922 -20.9237 -20.9237 -4.0955 -4.0955 -3.8081 -3.8081 -3.6412 -3.6412 -3.2804 -3.2804 -2.9661 -2.9661 -2.9233 -2.9233 -2.2074 -2.2074 4.3279 4.3279 4.5207 4.5207 7.0036 7.0036 8.1870 8.1870 8.6441 8.6441 8.7737 8.7737 10.6681 10.6681 10.7010 10.7010 12.8918 12.8918 13.8083 13.8083 14.1215 14.1215 14.6231 14.6231 k = 0.1981 0.1144 0.2065 ( 2836 PWs) bands (ev): -56.7079 -56.7079 -29.6203 -29.6203 -20.9946 -20.9946 -20.9270 -20.9270 -4.0924 -4.0924 -3.8069 -3.8069 -3.6030 -3.6030 -3.2780 -3.2780 -2.9664 -2.9664 -2.9215 -2.9215 -2.1918 -2.1918 4.3694 4.3694 4.5657 4.5657 6.9051 6.9051 8.0975 8.0975 8.6513 8.6513 8.7414 8.7414 10.6396 10.6396 10.6760 10.6760 12.8661 12.8661 13.7952 13.7952 14.1620 14.1620 14.6690 14.6690 k = 0.2075 0.1198 0.2065 ( 2848 PWs) bands (ev): -56.7077 -56.7077 -29.6215 -29.6215 -20.9974 -20.9974 -20.9302 -20.9302 -4.0893 -4.0893 -3.8057 -3.8057 -3.5639 -3.5639 -3.2751 -3.2751 -2.9669 -2.9669 -2.9195 -2.9195 -2.1757 -2.1757 4.4125 4.4125 4.6114 4.6114 6.8068 6.8068 8.0071 8.0071 8.6295 8.6295 8.7392 8.7392 10.6094 10.6094 10.6491 10.6491 12.8484 12.8484 13.7830 13.7830 14.2014 14.2014 14.7128 14.7128 k = 0.2170 0.1253 0.2065 ( 2844 PWs) bands (ev): -56.7074 -56.7074 -29.6227 -29.6227 -21.0004 -21.0004 -20.9330 -20.9330 -4.0862 -4.0862 -3.8046 -3.8046 -3.5243 -3.5243 -3.2718 -3.2718 -2.9676 -2.9676 -2.9171 -2.9171 -2.1591 -2.1591 4.4574 4.4574 4.6575 4.6575 6.7091 6.7091 7.9162 7.9162 8.5885 8.5885 8.7570 8.7570 10.5785 10.5785 10.6199 10.6199 12.8389 12.8389 13.7723 13.7723 14.2376 14.2376 14.7543 14.7543 k = 0.2264 0.1307 0.2065 ( 2844 PWs) bands (ev): -56.7071 -56.7071 -29.6239 -29.6239 -21.0037 -21.0037 -20.9356 -20.9356 -4.0830 -4.0830 -3.8035 -3.8035 -3.4844 -3.4844 -3.2676 -3.2676 -2.9685 -2.9685 -2.9144 -2.9144 -2.1421 -2.1421 4.5038 4.5038 4.7039 4.7039 6.6125 6.6125 7.8252 7.8252 8.5424 8.5424 8.7809 8.7809 10.5471 10.5471 10.5888 10.5888 12.8372 12.8372 13.7633 13.7633 14.2675 14.2675 14.7929 14.7929 k = 0.2358 0.1362 0.2065 ( 2844 PWs) bands (ev): -56.7069 -56.7069 -29.6251 -29.6251 -21.0074 -21.0074 -20.9379 -20.9379 -4.0799 -4.0799 -3.8025 -3.8025 -3.4449 -3.4449 -3.2621 -3.2621 -2.9696 -2.9696 -2.9115 -2.9115 -2.1247 -2.1247 4.5516 4.5516 4.7502 4.7502 6.5173 6.5173 7.7345 7.7345 8.4951 8.4951 8.8067 8.8067 10.5153 10.5153 10.5562 10.5562 12.8432 12.8432 13.7562 13.7562 14.2866 14.2866 14.8279 14.8279 k = 0.2453 0.1416 0.2065 ( 2836 PWs) bands (ev): -56.7066 -56.7066 -29.6263 -29.6263 -21.0113 -21.0113 -20.9399 -20.9399 -4.0768 -4.0768 -3.8015 -3.8015 -3.4070 -3.4070 -3.2545 -3.2545 -2.9706 -2.9706 -2.9083 -2.9083 -2.1070 -2.1070 4.6009 4.6009 4.7959 4.7959 6.4238 6.4238 7.6444 7.6444 8.4479 8.4479 8.8331 8.8331 10.4830 10.4830 10.5229 10.5229 12.8565 12.8565 13.7511 13.7511 14.2891 14.2891 14.8587 14.8587 k = 0.2547 0.1471 0.2065 ( 2844 PWs) bands (ev): -56.7063 -56.7063 -29.6276 -29.6276 -21.0156 -21.0156 -20.9417 -20.9417 -4.0738 -4.0738 -3.8006 -3.8006 -3.3722 -3.3722 -3.2431 -3.2431 -2.9718 -2.9718 -2.9051 -2.9051 -2.0890 -2.0890 4.6513 4.6513 4.8407 4.8407 6.3326 6.3326 7.5553 7.5553 8.4014 8.4014 8.8596 8.8596 10.4499 10.4499 10.4900 10.4900 12.8766 12.8766 13.7480 13.7480 14.2676 14.2676 14.8848 14.8848 k = 0.2642 0.1525 0.2065 ( 2848 PWs) bands (ev): -56.7061 -56.7061 -29.6289 -29.6289 -21.0200 -21.0200 -20.9433 -20.9433 -4.0708 -4.0708 -3.7997 -3.7997 -3.3432 -3.3432 -3.2257 -3.2257 -2.9728 -2.9728 -2.9017 -2.9017 -2.0709 -2.0709 4.7028 4.7028 4.8841 4.8841 6.2442 6.2442 7.4676 7.4676 8.3558 8.3558 8.8859 8.8859 10.4158 10.4158 10.4584 10.4584 12.9031 12.9031 13.7468 13.7468 14.2163 14.2163 14.9063 14.9063 k = 0.2736 0.1580 0.2065 ( 2844 PWs) bands (ev): -56.7058 -56.7058 -29.6301 -29.6301 -21.0246 -21.0246 -20.9446 -20.9446 -4.0678 -4.0678 -3.7989 -3.7989 -3.3219 -3.3219 -3.2005 -3.2005 -2.9737 -2.9737 -2.8981 -2.8981 -2.0526 -2.0526 4.7551 4.7551 4.9254 4.9254 6.1591 6.1591 7.3815 7.3815 8.3113 8.3113 8.9119 8.9119 10.3810 10.3810 10.4283 10.4283 12.9354 12.9354 13.7469 13.7469 14.1346 14.1346 14.9244 14.9244 k = 0.2830 0.1634 0.2065 ( 2846 PWs) bands (ev): -56.7055 -56.7055 -29.6313 -29.6313 -21.0294 -21.0294 -20.9457 -20.9457 -4.0650 -4.0650 -3.7982 -3.7982 -3.3077 -3.3077 -3.1683 -3.1683 -2.9744 -2.9744 -2.8945 -2.8945 -2.0342 -2.0342 4.8081 4.8081 4.9639 4.9639 6.0782 6.0782 7.2974 7.2974 8.2680 8.2680 8.9372 8.9372 10.3460 10.3460 10.3998 10.3998 12.9729 12.9729 13.7466 13.7466 14.0295 14.0295 14.9414 14.9414 k = 0.2925 0.1688 0.2065 ( 2850 PWs) bands (ev): -56.7053 -56.7053 -29.6326 -29.6326 -21.0342 -21.0342 -20.9467 -20.9467 -4.0622 -4.0622 -3.7975 -3.7975 -3.2984 -3.2984 -3.1319 -3.1319 -2.9744 -2.9744 -2.8907 -2.8907 -2.0159 -2.0159 4.8613 4.8613 4.9989 4.9989 6.0023 6.0023 7.2157 7.2157 8.2260 8.2260 8.9618 8.9618 10.3116 10.3116 10.3728 10.3728 13.0152 13.0152 13.7390 13.7390 13.9161 13.9161 14.9586 14.9586 k = 0.3019 0.1743 0.2065 ( 2850 PWs) bands (ev): -56.7050 -56.7050 -29.6337 -29.6337 -21.0390 -21.0390 -20.9475 -20.9475 -4.0595 -4.0595 -3.7968 -3.7968 -3.2920 -3.2920 -3.0941 -3.0941 -2.9732 -2.9732 -2.8869 -2.8869 -1.9976 -1.9976 4.9142 4.9142 5.0295 5.0295 5.9326 5.9326 7.1366 7.1366 8.1854 8.1854 8.9857 8.9857 10.2785 10.2785 10.3468 10.3468 13.0616 13.0616 13.6906 13.6906 13.8353 13.8353 14.9757 14.9757 k = 0.3113 0.1797 0.2065 ( 2848 PWs) bands (ev): -56.7048 -56.7048 -29.6349 -29.6349 -21.0439 -21.0439 -20.9481 -20.9481 -4.0569 -4.0569 -3.7962 -3.7962 -3.2872 -3.2872 -3.0579 -3.0579 -2.9692 -2.9692 -2.8829 -2.8829 -1.9795 -1.9795 4.9658 4.9658 5.0551 5.0551 5.8704 5.8704 7.0605 7.0605 8.1463 8.1463 9.0086 9.0086 10.2472 10.2472 10.3218 10.3218 13.1116 13.1116 13.5760 13.5760 13.8180 13.8180 14.9916 14.9916 k = 0.3208 0.1852 0.2065 ( 2840 PWs) bands (ev): -56.7045 -56.7045 -29.6360 -29.6360 -21.0486 -21.0486 -20.9487 -20.9487 -4.0543 -4.0543 -3.7956 -3.7956 -3.2834 -3.2834 -3.0284 -3.0284 -2.9584 -2.9584 -2.8786 -2.8786 -1.9615 -1.9615 5.0127 5.0127 5.0771 5.0771 5.8173 5.8173 6.9878 6.9878 8.1087 8.1087 9.0306 9.0306 10.2183 10.2183 10.2976 10.2976 13.1643 13.1643 13.4392 13.4392 13.8243 13.8243 15.0054 15.0054 k = 0.3302 0.1906 0.2065 ( 2840 PWs) bands (ev): -56.7043 -56.7043 -29.6371 -29.6371 -21.0534 -21.0534 -20.9492 -20.9492 -4.0519 -4.0519 -3.7951 -3.7951 -3.2803 -3.2803 -3.0113 -3.0113 -2.9359 -2.9359 -2.8736 -2.8736 -1.9439 -1.9439 5.0443 5.0443 5.1046 5.1046 5.7745 5.7745 6.9187 6.9187 8.0728 8.0728 9.0515 9.0515 10.1920 10.1920 10.2739 10.2739 13.2145 13.2145 13.3034 13.3034 13.8381 13.8381 15.0168 15.0168 k = 0.3396 0.1961 0.2065 ( 2836 PWs) bands (ev): -56.7040 -56.7040 -29.6381 -29.6381 -21.0580 -21.0580 -20.9495 -20.9495 -4.0496 -4.0496 -3.7946 -3.7946 -3.2776 -3.2776 -3.0043 -3.0043 -2.9063 -2.9063 -2.8660 -2.8660 -1.9267 -1.9267 5.0509 5.0509 5.1459 5.1459 5.7431 5.7431 6.8536 6.8536 8.0385 8.0385 9.0714 9.0714 10.1686 10.1686 10.2508 10.2508 13.1477 13.1477 13.2879 13.2879 13.8557 13.8557 15.0257 15.0257 k = 0.3491 0.2015 0.2065 ( 2840 PWs) bands (ev): -56.7038 -56.7038 -29.6392 -29.6392 -21.0626 -21.0626 -20.9499 -20.9499 -4.0475 -4.0475 -3.7942 -3.7942 -3.2753 -3.2753 -3.0018 -3.0018 -2.8833 -2.8833 -2.8482 -2.8482 -1.9099 -1.9099 5.0401 5.0401 5.1929 5.1929 5.7230 5.7230 6.7929 6.7929 8.0060 8.0060 9.0902 9.0902 10.1483 10.1483 10.2280 10.2280 13.0128 13.0128 13.3457 13.3457 13.8762 13.8762 15.0321 15.0321 k = 0.3585 0.2070 0.2065 ( 2836 PWs) bands (ev): -56.7036 -56.7036 -29.6401 -29.6401 -21.0669 -21.0669 -20.9501 -20.9501 -4.0454 -4.0454 -3.7938 -3.7938 -3.2732 -3.2732 -3.0011 -3.0011 -2.8734 -2.8734 -2.8165 -2.8165 -1.8936 -1.8936 5.0180 5.0180 5.2402 5.2402 5.7132 5.7132 6.7368 6.7368 7.9752 7.9752 9.1079 9.1079 10.1311 10.1311 10.2054 10.2054 12.8801 12.8801 13.4073 13.4073 13.8989 13.8989 15.0364 15.0364 k = 0.3679 0.2124 0.2065 ( 2836 PWs) bands (ev): -56.7034 -56.7034 -29.6411 -29.6411 -21.0711 -21.0711 -20.9504 -20.9504 -4.0435 -4.0435 -3.7935 -3.7935 -3.2713 -3.2713 -3.0013 -3.0013 -2.8681 -2.8681 -2.7807 -2.7807 -1.8779 -1.8779 4.9879 4.9879 5.2860 5.2860 5.7119 5.7119 6.6859 6.6859 7.9462 7.9462 9.1245 9.1245 10.1169 10.1169 10.1831 10.1831 12.7527 12.7527 13.4704 13.4704 13.9235 13.9235 15.0388 15.0388 k = 0.3774 0.2179 0.2065 ( 2832 PWs) bands (ev): -56.7032 -56.7032 -29.6420 -29.6420 -21.0751 -21.0751 -20.9505 -20.9505 -4.0417 -4.0417 -3.7932 -3.7932 -3.2696 -3.2696 -3.0017 -3.0017 -2.8642 -2.8642 -2.7449 -2.7449 -1.8629 -1.8629 4.9524 4.9524 5.3293 5.3293 5.7168 5.7168 6.6402 6.6402 7.9191 7.9191 9.1399 9.1399 10.1057 10.1057 10.1611 10.1611 12.6316 12.6316 13.5342 13.5342 13.9497 13.9497 15.0395 15.0395 k = 0.3868 0.2233 0.2065 ( 2836 PWs) bands (ev): -56.7030 -56.7030 -29.6428 -29.6428 -21.0789 -21.0789 -20.9507 -20.9507 -4.0400 -4.0400 -3.7929 -3.7929 -3.2680 -3.2680 -3.0024 -3.0024 -2.8608 -2.8608 -2.7101 -2.7101 -1.8487 -1.8487 4.9140 4.9140 5.3694 5.3694 5.7259 5.7259 6.6002 6.6002 7.8939 7.8939 9.1542 9.1542 10.0969 10.0969 10.1395 10.1395 12.5175 12.5175 13.5981 13.5981 13.9774 13.9774 15.0390 15.0390 k = 0.3962 0.2288 0.2065 ( 2836 PWs) bands (ev): -56.7028 -56.7028 -29.6436 -29.6436 -21.0825 -21.0825 -20.9508 -20.9508 -4.0385 -4.0385 -3.7927 -3.7927 -3.2666 -3.2666 -3.0032 -3.0032 -2.8578 -2.8578 -2.6769 -2.6769 -1.8353 -1.8353 4.8743 4.8743 5.4058 5.4058 5.7376 5.7376 6.5660 6.5660 7.8706 7.8706 9.1675 9.1675 10.0899 10.0899 10.1191 10.1191 12.4111 12.4111 13.6613 13.6613 14.0064 14.0064 15.0375 15.0375 k = 0.4057 0.2342 0.2065 ( 2844 PWs) bands (ev): -56.7027 -56.7027 -29.6444 -29.6444 -21.0858 -21.0858 -20.9509 -20.9509 -4.0371 -4.0371 -3.7925 -3.7925 -3.2653 -3.2653 -3.0040 -3.0040 -2.8551 -2.8551 -2.6456 -2.6456 -1.8228 -1.8228 4.8350 4.8350 5.4382 5.4382 5.7507 5.7507 6.5376 6.5376 7.8492 7.8492 9.1796 9.1796 10.0815 10.0815 10.1025 10.1025 12.3128 12.3128 13.7232 13.7232 14.0368 14.0368 15.0351 15.0351 k = 0.4151 0.2397 0.2065 ( 2840 PWs) bands (ev): -56.7025 -56.7025 -29.6450 -29.6450 -21.0888 -21.0888 -20.9510 -20.9510 -4.0358 -4.0358 -3.7924 -3.7924 -3.2641 -3.2641 -3.0048 -3.0048 -2.8526 -2.8526 -2.6165 -2.6165 -1.8112 -1.8112 4.7971 4.7971 5.4661 5.4661 5.7640 5.7640 6.5149 6.5149 7.8298 7.8298 9.1907 9.1907 10.0666 10.0666 10.0948 10.0948 12.2232 12.2232 13.7829 13.7829 14.0687 14.0687 15.0321 15.0321 k = 0.4245 0.2451 0.2065 ( 2840 PWs) bands (ev): -56.7024 -56.7024 -29.6456 -29.6456 -21.0916 -21.0916 -20.9511 -20.9511 -4.0346 -4.0346 -3.7922 -3.7922 -3.2631 -3.2631 -3.0055 -3.0055 -2.8504 -2.8504 -2.5899 -2.5899 -1.8007 -1.8007 4.7615 4.7615 5.4897 5.4897 5.7770 5.7770 6.4977 6.4977 7.8124 7.8124 9.2006 9.2006 10.0479 10.0479 10.0933 10.0933 12.1424 12.1424 13.8390 13.8390 14.1027 14.1027 15.0285 15.0285 k = 0.4340 0.2505 0.2065 ( 2836 PWs) bands (ev): -56.7023 -56.7023 -29.6461 -29.6461 -21.0940 -21.0940 -20.9511 -20.9511 -4.0336 -4.0336 -3.7921 -3.7921 -3.2622 -3.2622 -3.0062 -3.0062 -2.8484 -2.8484 -2.5660 -2.5660 -1.7913 -1.7913 4.7288 4.7288 5.5089 5.5089 5.7892 5.7892 6.4853 6.4853 7.7970 7.7970 9.2095 9.2095 10.0290 10.0290 10.0942 10.0942 12.0708 12.0708 13.8904 13.8904 14.1390 14.1390 15.0242 15.0242 k = 0.4434 0.2560 0.2065 ( 2844 PWs) bands (ev): -56.7022 -56.7022 -29.6467 -29.6467 -21.0962 -21.0962 -20.9512 -20.9512 -4.0328 -4.0328 -3.7920 -3.7920 -3.2614 -3.2614 -3.0068 -3.0068 -2.8468 -2.8468 -2.5448 -2.5448 -1.7830 -1.7830 4.6997 4.6997 5.5241 5.5241 5.8001 5.8001 6.4772 6.4772 7.7836 7.7836 9.2173 9.2173 10.0110 10.0110 10.0964 10.0964 12.0086 12.0086 13.9356 13.9356 14.1783 14.1783 15.0186 15.0186 k = 0.4528 0.2614 0.2065 ( 2848 PWs) bands (ev): -56.7021 -56.7021 -29.6471 -29.6471 -21.0980 -21.0980 -20.9512 -20.9512 -4.0320 -4.0320 -3.7919 -3.7919 -3.2607 -3.2607 -3.0073 -3.0073 -2.8453 -2.8453 -2.5267 -2.5267 -1.7759 -1.7759 4.6744 4.6744 5.5357 5.5357 5.8096 5.8096 6.4725 6.4725 7.7723 7.7723 9.2240 9.2240 9.9946 9.9946 10.0992 10.0992 11.9559 11.9559 13.9735 13.9735 14.2203 14.2203 15.0093 15.0093 k = 0.4623 0.2669 0.2065 ( 2844 PWs) bands (ev): -56.7020 -56.7020 -29.6474 -29.6474 -21.0995 -21.0995 -20.9512 -20.9512 -4.0314 -4.0314 -3.7919 -3.7919 -3.2601 -3.2601 -3.0078 -3.0078 -2.8441 -2.8441 -2.5116 -2.5116 -1.7701 -1.7701 4.6533 4.6533 5.5443 5.5443 5.8175 5.8175 6.4703 6.4703 7.7630 7.7630 9.2296 9.2296 9.9803 9.9803 10.1021 10.1021 11.9127 11.9127 14.0039 14.0039 14.2640 14.2640 14.9864 14.9864 k = 0.4717 0.2723 0.2065 ( 2848 PWs) bands (ev): -56.7020 -56.7020 -29.6477 -29.6477 -21.1007 -21.1007 -20.9513 -20.9513 -4.0309 -4.0309 -3.7918 -3.7918 -3.2597 -3.2597 -3.0081 -3.0081 -2.8432 -2.8432 -2.4998 -2.4998 -1.7655 -1.7655 4.6367 4.6367 5.5503 5.5503 5.8237 5.8237 6.4696 6.4696 7.7558 7.7558 9.2339 9.2339 9.9686 9.9686 10.1048 10.1048 11.8792 11.8792 14.0268 14.0268 14.3069 14.3069 14.9420 14.9420 k = 0.4811 0.2778 0.2065 ( 2844 PWs) bands (ev): -56.7019 -56.7019 -29.6479 -29.6479 -21.1015 -21.1015 -20.9512 -20.9512 -4.0306 -4.0306 -3.7918 -3.7918 -3.2594 -3.2594 -3.0084 -3.0084 -2.8425 -2.8425 -2.4913 -2.4913 -1.7622 -1.7622 4.6247 4.6247 5.5542 5.5542 5.8281 5.8281 6.4697 6.4697 7.7506 7.7506 9.2371 9.2371 9.9599 9.9599 10.1069 10.1069 11.8552 11.8552 14.0428 14.0428 14.3448 14.3448 14.8953 14.8953 k = 0.4906 0.2832 0.2065 ( 2848 PWs) bands (ev): -56.7019 -56.7019 -29.6480 -29.6480 -21.1020 -21.1020 -20.9513 -20.9513 -4.0304 -4.0304 -3.7918 -3.7918 -3.2592 -3.2592 -3.0085 -3.0085 -2.8421 -2.8421 -2.4861 -2.4861 -1.7602 -1.7602 4.6174 4.6174 5.5564 5.5564 5.8308 5.8308 6.4701 6.4701 7.7475 7.7475 9.2390 9.2390 9.9546 9.9546 10.1083 10.1083 11.8408 11.8408 14.0521 14.0521 14.3720 14.3720 14.8616 14.8616 k = 0.5000 0.2887 0.2065 ( 2848 PWs) bands (ev): -56.7019 -56.7019 -29.6480 -29.6480 -21.1022 -21.1022 -20.9513 -20.9513 -4.0303 -4.0303 -3.7918 -3.7918 -3.2591 -3.2591 -3.0086 -3.0086 -2.8419 -2.8419 -2.4844 -2.4844 -1.7595 -1.7595 4.6150 4.6150 5.5571 5.5571 5.8317 5.8317 6.4702 6.4702 7.7465 7.7465 9.2396 9.2396 9.9528 9.9528 10.1087 10.1087 11.8360 11.8360 14.0552 14.0552 14.3820 14.3820 14.8492 14.8492 k = 0.5000 0.2887 0.2065 ( 2848 PWs) bands (ev): -56.7019 -56.7019 -29.6480 -29.6480 -21.1022 -21.1022 -20.9513 -20.9513 -4.0303 -4.0303 -3.7918 -3.7918 -3.2591 -3.2591 -3.0086 -3.0086 -2.8419 -2.8419 -2.4844 -2.4844 -1.7595 -1.7595 4.6150 4.6150 5.5571 5.5571 5.8317 5.8317 6.4702 6.4702 7.7465 7.7465 9.2396 9.2396 9.9528 9.9528 10.1087 10.1087 11.8360 11.8360 14.0552 14.0552 14.3820 14.3820 14.8492 14.8492 k = 0.4946 0.2980 0.2065 ( 2848 PWs) bands (ev): -56.7019 -56.7019 -29.6483 -29.6478 -21.1030 -21.1013 -20.9515 -20.9513 -4.0303 -4.0303 -3.7917 -3.7917 -3.2591 -3.2591 -3.0085 -3.0085 -2.8421 -2.8420 -2.4879 -2.4799 -1.7595 -1.7592 4.6141 4.6192 5.5570 5.5583 5.8292 5.8347 6.4664 6.4730 7.7386 7.7513 9.2040 9.2539 9.9543 9.9559 10.0875 10.1432 11.8320 11.8390 14.0421 14.0642 14.3643 14.4003 14.8455 14.8568 k = 0.4892 0.3073 0.2065 ( 2848 PWs) bands (ev): -56.7019 -56.7019 -29.6486 -29.6476 -21.1038 -21.1003 -20.9518 -20.9515 -4.0302 -4.0302 -3.7916 -3.7915 -3.2591 -3.2590 -3.0084 -3.0084 -2.8424 -2.8424 -2.4905 -2.4745 -1.7590 -1.7584 4.6164 4.6266 5.5579 5.5606 5.8273 5.8382 6.4615 6.4746 7.7278 7.7530 9.1506 9.2444 9.9602 9.9636 10.0820 10.1874 11.8268 11.8408 14.0253 14.0687 14.3472 14.4185 14.8464 14.8674 k = 0.4839 0.3166 0.2065 ( 2844 PWs) bands (ev): -56.7019 -56.7019 -29.6488 -29.6473 -21.1044 -21.0992 -20.9524 -20.9520 -4.0300 -4.0300 -3.7913 -3.7912 -3.2590 -3.2589 -3.0081 -3.0081 -2.8430 -2.8429 -2.4920 -2.4681 -1.7582 -1.7572 4.6219 4.6373 5.5598 5.5639 5.8259 5.8422 6.4558 6.4750 7.7142 7.7517 9.0832 9.2114 9.9707 9.9757 10.0920 10.2378 11.8204 11.8415 14.0049 14.0684 14.3310 14.4360 14.8522 14.8785 k = 0.4785 0.3259 0.2065 ( 2844 PWs) bands (ev): -56.7019 -56.7019 -29.6492 -29.6472 -21.1050 -21.0980 -20.9531 -20.9526 -4.0298 -4.0297 -3.7909 -3.7907 -3.2588 -3.2588 -3.0077 -3.0077 -2.8437 -2.8436 -2.4926 -2.4608 -1.7569 -1.7556 4.6306 4.6512 5.5626 5.5683 5.8250 5.8467 6.4491 6.4743 7.6981 7.7473 9.0048 9.1577 9.9855 9.9921 10.1153 10.2917 11.8130 11.8412 13.9812 14.0631 14.3157 14.4516 14.8620 14.8631 k = 0.4731 0.3352 0.2065 ( 2842 PWs) bands (ev): -56.7018 -56.7018 -29.6495 -29.6470 -21.1055 -21.0967 -20.9541 -20.9535 -4.0295 -4.0294 -3.7903 -3.7902 -3.2587 -3.2586 -3.0072 -3.0072 -2.8447 -2.8446 -2.4923 -2.4527 -1.7553 -1.7536 4.6426 4.6682 5.5662 5.5736 5.8247 5.8516 6.4417 6.4724 7.6798 7.7402 8.9178 9.0871 10.0045 10.0126 10.1484 10.3473 11.8044 11.8397 13.9544 14.0526 14.3013 14.4628 14.8010 14.8213 k = 0.4677 0.3445 0.2065 ( 2842 PWs) bands (ev): -56.7018 -56.7018 -29.6499 -29.6469 -21.1060 -21.0954 -20.9552 -20.9546 -4.0291 -4.0290 -3.7897 -3.7895 -3.2585 -3.2583 -3.0067 -3.0066 -2.8458 -2.8457 -2.4910 -2.4437 -1.7532 -1.7513 4.6576 4.6885 5.5705 5.5799 5.8248 5.8570 6.4337 6.4693 7.6597 7.7305 8.8241 9.0033 10.0274 10.0370 10.1881 10.4034 11.7948 11.8371 13.9245 14.0371 14.2872 14.4654 14.7329 14.7474 k = 0.4624 0.3539 0.2065 ( 2838 PWs) bands (ev): -56.7018 -56.7018 -29.6502 -29.6468 -21.1063 -21.0940 -20.9564 -20.9558 -4.0287 -4.0286 -3.7889 -3.7887 -3.2582 -3.2581 -3.0059 -3.0058 -2.8471 -2.8470 -2.4888 -2.4339 -1.7508 -1.7485 4.6758 4.7118 5.5754 5.5870 5.8255 5.8628 6.4252 6.4651 7.6381 7.7183 8.7250 8.9094 10.0540 10.0649 10.2320 10.4593 11.7842 11.8335 13.8915 14.0170 14.2726 14.4511 14.6669 14.6722 k = 0.4570 0.3632 0.2065 ( 2838 PWs) bands (ev): -56.7017 -56.7017 -29.6506 -29.6467 -21.1067 -21.0925 -20.9578 -20.9573 -4.0282 -4.0281 -3.7881 -3.7879 -3.2579 -3.2578 -3.0051 -3.0050 -2.8487 -2.8485 -2.4857 -2.4233 -1.7481 -1.7455 4.6971 4.7383 5.5806 5.5948 5.8266 5.8690 6.4165 6.4598 7.6155 7.7038 8.6218 8.8077 10.0840 10.0961 10.2784 10.5146 11.7727 11.8289 13.8554 13.9928 14.2565 14.4102 14.5821 14.6302 k = 0.4516 0.3725 0.2065 ( 2842 PWs) bands (ev): -56.7017 -56.7017 -29.6510 -29.6467 -21.1070 -21.0909 -20.9593 -20.9591 -4.0277 -4.0275 -3.7872 -3.7870 -3.2577 -3.2575 -3.0042 -3.0041 -2.8503 -2.8501 -2.4819 -2.4121 -1.7450 -1.7421 4.7214 4.7678 5.5859 5.6032 5.8281 5.8756 6.4077 6.4537 7.5920 7.6871 8.5157 8.7002 10.1171 10.1302 10.3263 10.5693 11.7604 11.8234 13.8159 13.9648 14.2370 14.3429 14.4955 14.6080 k = 0.4462 0.3818 0.2065 ( 2838 PWs) bands (ev): -56.7017 -56.7016 -29.6514 -29.6466 -21.1072 -21.0892 -20.9609 -20.9609 -4.0271 -4.0269 -3.7862 -3.7859 -3.2573 -3.2571 -3.0032 -3.0030 -2.8522 -2.8519 -2.4772 -2.4002 -1.7416 -1.7384 4.7486 4.8003 5.5911 5.6120 5.8300 5.8825 6.3993 6.4469 7.5682 7.6682 8.4076 8.5882 10.1531 10.1670 10.3750 10.6234 11.7475 11.8169 13.7727 13.9334 14.2101 14.2594 14.4116 14.5964 k = 0.4409 0.3911 0.2065 ( 2842 PWs) bands (ev): -56.7016 -56.7016 -29.6519 -29.6466 -21.1074 -21.0875 -20.9629 -20.9627 -4.0265 -4.0263 -3.7852 -3.7849 -3.2570 -3.2567 -3.0021 -3.0019 -2.8541 -2.8539 -2.4718 -2.3879 -1.7380 -1.7345 4.7787 4.8357 5.5960 5.6210 5.8322 5.8898 6.3913 6.4396 7.5441 7.6467 8.2987 8.4728 10.1918 10.2061 10.4241 10.6769 11.7342 11.8097 13.7254 13.8985 14.1677 14.1682 14.3392 14.5886 k = 0.4355 0.4004 0.2065 ( 2846 PWs) bands (ev): -56.7016 -56.7016 -29.6523 -29.6467 -21.1075 -21.0858 -20.9652 -20.9645 -4.0259 -4.0257 -3.7841 -3.7838 -3.2566 -3.2563 -3.0009 -3.0007 -2.8562 -2.8560 -2.4658 -2.3750 -1.7340 -1.7303 4.8116 4.8739 5.6003 5.6299 5.8347 5.8973 6.3842 6.4321 7.5201 7.6223 8.1904 8.3549 10.2329 10.2472 10.4734 10.7300 11.7208 11.8018 13.6734 13.8601 14.0735 14.1007 14.2882 14.5820 k = 0.4301 0.4097 0.2065 ( 2854 PWs) bands (ev): -56.7016 -56.7015 -29.6528 -29.6468 -21.1077 -21.0840 -20.9675 -20.9664 -4.0252 -4.0250 -3.7830 -3.7826 -3.2562 -3.2559 -2.9996 -2.9994 -2.8585 -2.8582 -2.4592 -2.3618 -1.7299 -1.7259 4.8472 4.9149 5.6037 5.6386 5.8374 5.9052 6.3784 6.4248 7.4963 7.5939 8.0844 8.2354 10.2761 10.2901 10.5228 10.7829 11.7076 11.7933 13.6162 13.8179 13.9779 14.0120 14.2567 14.5759 k = 0.4247 0.4190 0.2065 ( 2848 PWs) bands (ev): -56.7015 -56.7015 -29.6532 -29.6468 -21.1078 -21.0821 -20.9699 -20.9682 -4.0245 -4.0243 -3.7818 -3.7815 -3.2558 -3.2555 -2.9982 -2.9980 -2.8607 -2.8604 -2.4520 -2.3482 -1.7256 -1.7214 4.8854 4.9585 5.6059 5.6468 5.8402 5.9134 6.3741 6.4182 7.4728 7.5598 7.9831 8.1151 10.3214 10.3343 10.5723 10.8358 11.6948 11.7846 13.5530 13.7714 13.8830 13.9113 14.2361 14.5705 k = 0.4194 0.4284 0.2065 ( 2848 PWs) bands (ev): -56.7014 -56.7014 -29.6536 -29.6468 -21.1079 -21.0801 -20.9725 -20.9700 -4.0238 -4.0236 -3.7807 -3.7803 -3.2554 -3.2550 -2.9968 -2.9965 -2.8630 -2.8627 -2.4444 -2.3345 -1.7211 -1.7167 4.9261 5.0046 5.6067 5.6541 5.8432 5.9218 6.3718 6.4125 7.4495 7.5174 7.8898 7.9946 10.3684 10.3796 10.6218 10.8889 11.6831 11.7756 13.4831 13.7191 13.7902 13.8055 14.2217 14.5661 k = 0.4140 0.4377 0.2065 ( 2842 PWs) bands (ev): -56.7014 -56.7013 -29.6540 -29.6469 -21.1079 -21.0781 -20.9752 -20.9719 -4.0231 -4.0229 -3.7795 -3.7791 -3.2549 -3.2546 -2.9953 -2.9950 -2.8654 -2.8650 -2.4364 -2.3206 -1.7166 -1.7119 4.9691 5.0532 5.6059 5.6604 5.8462 5.9303 6.3716 6.4084 7.4263 7.4635 7.8082 7.8745 10.4171 10.4257 10.6713 10.9423 11.6727 11.7667 13.4060 13.6537 13.7006 13.7046 14.2115 14.5631 k = 0.4086 0.4470 0.2065 ( 2848 PWs) bands (ev): -56.7013 -56.7013 -29.6544 -29.6470 -21.1081 -21.0761 -20.9779 -20.9738 -4.0224 -4.0222 -3.7783 -3.7779 -3.2545 -3.2541 -2.9937 -2.9935 -2.8678 -2.8673 -2.4282 -2.3068 -1.7119 -1.7071 5.0143 5.1039 5.6034 5.6652 5.8492 5.9390 6.3738 6.4063 7.3959 7.4031 7.7410 7.7558 10.4672 10.4723 10.7209 10.9960 11.6643 11.7582 13.3217 13.5567 13.6147 13.6285 14.2049 14.5619 k = 0.4032 0.4563 0.2065 ( 2844 PWs) bands (ev): -56.7013 -56.7012 -29.6548 -29.6471 -21.1082 -21.0741 -20.9806 -20.9755 -4.0218 -4.0215 -3.7772 -3.7768 -3.2541 -3.2537 -2.9922 -2.9919 -2.8701 -2.8696 -2.4197 -2.2931 -1.7073 -1.7022 5.0614 5.1568 5.5993 5.6685 5.8522 5.9478 6.3787 6.4064 7.3155 7.3791 7.6394 7.6878 10.5186 10.5189 10.7704 11.0503 11.6583 11.7501 13.2308 13.4421 13.5328 13.5643 14.2015 14.5627 k = 0.3978 0.4656 0.2065 ( 2840 PWs) bands (ev): -56.7012 -56.7012 -29.6552 -29.6472 -21.1082 -21.0720 -20.9834 -20.9772 -4.0211 -4.0208 -3.7761 -3.7757 -3.2537 -3.2532 -2.9906 -2.9903 -2.8724 -2.8719 -2.4112 -2.2796 -1.7026 -1.6974 5.1103 5.2115 5.5935 5.6701 5.8552 5.9564 6.3861 6.4092 7.2260 7.3528 7.5275 7.6455 10.5653 10.5710 10.8198 11.1050 11.6554 11.7429 13.1345 13.3226 13.4545 13.5005 14.2012 14.5657 k = 0.3925 0.4749 0.2065 ( 2840 PWs) bands (ev): -56.7011 -56.7011 -29.6556 -29.6473 -21.1084 -21.0700 -20.9862 -20.9788 -4.0204 -4.0202 -3.7751 -3.7746 -3.2533 -3.2528 -2.9890 -2.9888 -2.8746 -2.8741 -2.4027 -2.2664 -1.6980 -1.6927 5.1607 5.2678 5.5864 5.6698 5.8582 5.9650 6.3961 6.4146 7.1315 7.3180 7.4267 7.6105 10.6111 10.6242 10.8689 11.1601 11.6561 11.7365 13.0344 13.2012 13.3794 13.4354 14.2035 14.5710 k = 0.3871 0.4842 0.2065 ( 2834 PWs) bands (ev): -56.7011 -56.7010 -29.6559 -29.6473 -21.1085 -21.0680 -20.9889 -20.9803 -4.0198 -4.0196 -3.7741 -3.7736 -3.2529 -3.2524 -2.9875 -2.9872 -2.8768 -2.8762 -2.3943 -2.2537 -1.6936 -1.6882 5.2122 5.3253 5.5781 5.6679 5.8612 5.9732 6.4085 6.4227 7.0351 7.2554 7.3569 7.5803 10.6558 10.6781 10.9174 11.2155 11.6609 11.7312 12.9319 13.0789 13.3074 13.3693 14.2084 14.5783 k = 0.3817 0.4935 0.2065 ( 2842 PWs) bands (ev): -56.7010 -56.7010 -29.6563 -29.6475 -21.1086 -21.0662 -20.9916 -20.9818 -4.0192 -4.0190 -3.7732 -3.7727 -3.2525 -3.2520 -2.9861 -2.9858 -2.8788 -2.8782 -2.3862 -2.2417 -1.6893 -1.6838 5.2644 5.3837 5.5690 5.6644 5.8643 5.9812 6.4230 6.4333 6.9393 7.1641 7.3195 7.5531 10.6990 10.7322 10.9651 11.2709 11.6703 11.7269 12.8287 12.9566 13.2384 13.3028 14.2153 14.5876 k = 0.3763 0.5029 0.2065 ( 2838 PWs) bands (ev): -56.7010 -56.7009 -29.6565 -29.6476 -21.1088 -21.0643 -20.9942 -20.9831 -4.0187 -4.0185 -3.7723 -3.7718 -3.2521 -3.2516 -2.9847 -2.9844 -2.8806 -2.8800 -2.3784 -2.2303 -1.6853 -1.6797 5.3167 5.4423 5.5594 5.6598 5.8674 5.9887 6.4392 6.4457 6.8458 7.0669 7.2930 7.5281 10.7402 10.7863 11.0115 11.3259 11.6846 11.7233 12.7267 12.8351 13.1727 13.2370 14.2241 14.5986 k = 0.3710 0.5122 0.2065 ( 2838 PWs) bands (ev): -56.7009 -56.7009 -29.6568 -29.6477 -21.1090 -21.0626 -20.9965 -20.9842 -4.0182 -4.0180 -3.7716 -3.7711 -3.2518 -3.2513 -2.9835 -2.9831 -2.8823 -2.8817 -2.3711 -2.2198 -1.6815 -1.6758 5.3682 5.5002 5.5499 5.6545 5.8706 5.9960 6.4566 6.4594 6.7560 6.9723 7.2697 7.5048 10.7791 10.8399 11.0562 11.3799 11.7042 11.7202 12.6276 12.7155 13.1110 13.1728 14.2341 14.6109 k = 0.3656 0.5215 0.2065 ( 2838 PWs) bands (ev): -56.7009 -56.7009 -29.6571 -29.6478 -21.1092 -21.0611 -20.9987 -20.9852 -4.0178 -4.0175 -3.7709 -3.7704 -3.2515 -3.2509 -2.9823 -2.9820 -2.8838 -2.8831 -2.3643 -2.2103 -1.6781 -1.6723 5.4179 5.5410 5.5557 5.6497 5.8739 6.0029 6.4732 6.4744 6.6715 6.8839 7.2481 7.4832 10.8152 10.8924 11.0984 11.4323 11.7167 11.7290 12.5336 12.5987 13.0540 13.1117 14.2450 14.6240 k = 0.3602 0.5308 0.2065 ( 2842 PWs) bands (ev): -56.7009 -56.7008 -29.6573 -29.6480 -21.1094 -21.0598 -21.0007 -20.9860 -4.0174 -4.0171 -3.7703 -3.7698 -3.2512 -3.2507 -2.9814 -2.9810 -2.8851 -2.8844 -2.3583 -2.2019 -1.6751 -1.6693 5.4637 5.5339 5.6035 5.6500 5.8774 6.0096 6.4855 6.4919 6.5939 6.8044 7.2279 7.4633 10.8481 10.9431 11.1373 11.4818 11.7120 11.7589 12.4474 12.4861 13.0028 13.0552 14.2560 14.6373 k = 0.3548 0.5401 0.2065 ( 2834 PWs) bands (ev): -56.7008 -56.7008 -29.6575 -29.6480 -21.1096 -21.0585 -21.0023 -20.9867 -4.0170 -4.0168 -3.7699 -3.7694 -3.2510 -3.2504 -2.9805 -2.9802 -2.8861 -2.8854 -2.3531 -2.1947 -1.6725 -1.6666 5.4987 5.5341 5.6228 5.6745 5.8812 6.0162 6.4938 6.5053 6.5279 6.7375 7.2094 7.4455 10.8772 10.9908 11.1717 11.5270 11.7048 11.7938 12.3720 12.3791 12.9586 13.0049 14.2667 14.6502 k = 0.3495 0.5494 0.2065 ( 2836 PWs) bands (ev): -56.7008 -56.7008 -29.6576 -29.6481 -21.1098 -21.0576 -21.0037 -20.9872 -4.0168 -4.0165 -3.7695 -3.7690 -3.2508 -3.2502 -2.9799 -2.9796 -2.8869 -2.8862 -2.3488 -2.1889 -1.6704 -1.6645 5.5076 5.5553 5.6220 5.7127 5.8853 6.0227 6.4636 6.4950 6.5255 6.6877 7.1934 7.4304 10.9017 11.0340 11.2002 11.5659 11.6947 11.8328 12.2802 12.3106 12.9225 12.9629 14.2762 14.6618 k = 0.3441 0.5587 0.2065 ( 2836 PWs) bands (ev): -56.7008 -56.7008 -29.6578 -29.6481 -21.1099 -21.0569 -21.0047 -20.9876 -4.0166 -4.0163 -3.7692 -3.7687 -3.2507 -3.2501 -2.9795 -2.9791 -2.8875 -2.8867 -2.3456 -2.1847 -1.6688 -1.6629 5.5054 5.5806 5.6190 5.7443 5.8897 6.0288 6.4189 6.4882 6.5368 6.6578 7.1806 7.4187 10.9209 11.0703 11.2212 11.5960 11.6825 11.8743 12.1931 12.2660 12.8958 12.9312 14.2839 14.6714 k = 0.3387 0.5680 0.2065 ( 2838 PWs) bands (ev): -56.7008 -56.7007 -29.6578 -29.6482 -21.1100 -21.0566 -21.0053 -20.9878 -4.0165 -4.0162 -3.7691 -3.7686 -3.2506 -3.2500 -2.9792 -2.9789 -2.8878 -2.8871 -2.3437 -2.1820 -1.6678 -1.6619 5.5029 5.5973 5.6166 5.7641 5.8934 6.0334 6.3901 6.4786 6.5444 6.6446 7.1722 7.4112 10.9335 11.0959 11.2333 11.6152 11.6714 11.9125 12.1258 12.2395 12.8795 12.9113 14.2890 14.6778 k = 0.3333 0.5774 0.2065 ( 2838 PWs) bands (ev): -56.7008 -56.7007 -29.6579 -29.6482 -21.1101 -21.0564 -21.0055 -20.9879 -4.0164 -4.0162 -3.7690 -3.7685 -3.2506 -3.2499 -2.9791 -2.9788 -2.8879 -2.8872 -2.3430 -2.1811 -1.6675 -1.6616 5.5020 5.6030 5.6157 5.7707 5.8950 6.0352 6.3803 6.4743 6.5472 6.6413 7.1692 7.4085 10.9380 11.1057 11.2369 11.6218 11.6665 11.9303 12.0978 12.2310 12.8740 12.9046 14.2909 14.6801 k = 0.3333 0.5774 0.2065 ( 2838 PWs) bands (ev): -56.7008 -56.7007 -29.6579 -29.6482 -21.1101 -21.0564 -21.0055 -20.9879 -4.0164 -4.0162 -3.7690 -3.7685 -3.2506 -3.2499 -2.9791 -2.9788 -2.8879 -2.8872 -2.3430 -2.1811 -1.6675 -1.6616 5.5020 5.6030 5.6157 5.7707 5.8950 6.0352 6.3803 6.4743 6.5472 6.6413 7.1692 7.4085 10.9380 11.1057 11.2369 11.6218 11.6665 11.9303 12.0978 12.2310 12.8740 12.9046 14.2909 14.6801 k = 0.3279 0.5679 0.2065 ( 2838 PWs) bands (ev): -56.7008 -56.7007 -29.6578 -29.6482 -21.1100 -21.0566 -21.0053 -20.9878 -4.0165 -4.0162 -3.7691 -3.7686 -3.2506 -3.2500 -2.9792 -2.9789 -2.8878 -2.8871 -2.3437 -2.1821 -1.6679 -1.6620 5.5031 5.5975 5.6167 5.7643 5.8933 6.0332 6.3902 6.4783 6.5441 6.6445 7.1726 7.4115 10.9328 11.0943 11.2340 11.6151 11.6728 11.9153 12.1238 12.2392 12.8796 12.9115 14.2888 14.6774 k = 0.3224 0.5584 0.2065 ( 2836 PWs) bands (ev): -56.7008 -56.7008 -29.6577 -29.6481 -21.1099 -21.0569 -21.0047 -20.9876 -4.0166 -4.0164 -3.7692 -3.7687 -3.2507 -3.2501 -2.9794 -2.9791 -2.8876 -2.8868 -2.3460 -2.1851 -1.6690 -1.6631 5.5066 5.5823 5.6199 5.7461 5.8892 6.0274 6.4184 6.4856 6.5345 6.6564 7.1827 7.4204 10.9165 11.0608 11.2260 11.5958 11.6926 11.8916 12.1812 12.2622 12.8957 12.9314 14.2824 14.6687 k = 0.3169 0.5490 0.2065 ( 2840 PWs) bands (ev): -56.7008 -56.7008 -29.6576 -29.6481 -21.1096 -21.0574 -21.0038 -20.9873 -4.0168 -4.0166 -3.7695 -3.7690 -3.2509 -3.2503 -2.9798 -2.9795 -2.8871 -2.8864 -2.3500 -2.1902 -1.6709 -1.6650 5.5124 5.5604 5.6251 5.7191 5.8838 6.0189 6.4610 6.4864 6.5184 6.6832 7.1995 7.4355 10.8887 11.0103 11.2116 11.5661 11.7251 11.8772 12.2517 12.2980 12.9213 12.9625 14.2716 14.6536 k = 0.3115 0.5395 0.2065 ( 2836 PWs) bands (ev): -56.7008 -56.7008 -29.6574 -29.6479 -21.1092 -21.0580 -21.0027 -20.9868 -4.0171 -4.0169 -3.7698 -3.7693 -3.2511 -3.2505 -2.9803 -2.9799 -2.8866 -2.8859 -2.3558 -2.1975 -1.6735 -1.6677 5.5193 5.5359 5.6314 5.6875 5.8779 6.0085 6.4747 6.4948 6.5153 6.7273 7.2222 7.4565 10.8502 10.9493 11.1899 11.5285 11.7682 11.8767 12.3296 12.3448 12.9547 13.0022 14.2569 14.6321 k = 0.3060 0.5300 0.2065 ( 2836 PWs) bands (ev): -56.7009 -56.7008 -29.6572 -29.6478 -21.1087 -21.0586 -21.0013 -20.9863 -4.0175 -4.0173 -3.7703 -3.7698 -3.2514 -3.2509 -2.9808 -2.9805 -2.8860 -2.8852 -2.3634 -2.2071 -1.6771 -1.6712 5.5034 5.5352 5.6296 5.6637 5.8714 5.9966 6.4515 6.4665 6.5763 6.7853 7.2501 7.4828 10.8032 10.8827 11.1612 11.4848 11.8198 11.8904 12.4012 12.4125 12.9939 13.0475 14.2391 14.6048 k = 0.3005 0.5206 0.2065 ( 2850 PWs) bands (ev): -56.7010 -56.7009 -29.6570 -29.6477 -21.1081 -21.0594 -20.9997 -20.9857 -4.0181 -4.0178 -3.7708 -3.7703 -3.2518 -3.2513 -2.9814 -2.9811 -2.8853 -2.8846 -2.3730 -2.2191 -1.6815 -1.6756 5.4760 5.5490 5.6020 5.6677 5.8644 5.9834 6.4196 6.4325 6.6433 6.8530 7.2820 7.5138 10.7499 10.8140 11.1265 11.4367 11.8783 11.9172 12.4656 12.4994 13.0368 13.0952 14.2196 14.5725 k = 0.2951 0.5111 0.2065 ( 2850 PWs) bands (ev): -56.7010 -56.7010 -29.6567 -29.6475 -21.1073 -21.0601 -20.9980 -20.9849 -4.0186 -4.0184 -3.7714 -3.7709 -3.2523 -3.2518 -2.9821 -2.9817 -2.8847 -2.8840 -2.3845 -2.2334 -1.6868 -1.6809 5.4495 5.5660 5.5673 5.6826 5.8566 5.9688 6.3818 6.3941 6.7145 6.9272 7.3170 7.5486 10.6931 10.7455 11.0873 11.3856 11.9425 11.9557 12.5371 12.5895 13.0811 13.1420 14.2005 14.5369 k = 0.2896 0.5016 0.2065 ( 2846 PWs) bands (ev): -56.7011 -56.7011 -29.6562 -29.6472 -21.1062 -21.0606 -20.9961 -20.9841 -4.0193 -4.0191 -3.7721 -3.7716 -3.2528 -3.2524 -2.9827 -2.9823 -2.8840 -2.8834 -2.3981 -2.2501 -1.6930 -1.6872 5.4256 5.5334 5.5858 5.7012 5.8479 5.9527 6.3399 6.3521 6.7888 7.0058 7.3543 7.5867 10.6350 10.6788 11.0448 11.3327 12.0043 12.0116 12.6146 12.6821 13.1246 13.1846 14.1841 14.4998 k = 0.2842 0.4922 0.2065 ( 2842 PWs) bands (ev): -56.7012 -56.7011 -29.6557 -29.6469 -21.1049 -21.0610 -20.9942 -20.9832 -4.0201 -4.0199 -3.7728 -3.7723 -3.2535 -3.2531 -2.9833 -2.9829 -2.8834 -2.8828 -2.4137 -2.2693 -1.7000 -1.6943 5.4050 5.5022 5.6077 5.7219 5.8382 5.9351 6.2955 6.3076 6.8651 7.0874 7.3931 7.6272 10.5774 10.6152 11.0002 11.2792 12.0614 12.0851 12.6973 12.7764 13.1649 13.2203 14.1725 14.4630 k = 0.2787 0.4827 0.2065 ( 2842 PWs) bands (ev): -56.7013 -56.7012 -29.6552 -29.6466 -21.1034 -21.0612 -20.9922 -20.9823 -4.0210 -4.0208 -3.7736 -3.7731 -3.2542 -3.2538 -2.9839 -2.9835 -2.8829 -2.8823 -2.4314 -2.2908 -1.7080 -1.7023 5.3883 5.4744 5.6314 5.7434 5.8280 5.9157 6.2505 6.2620 6.9429 7.1713 7.4328 7.6695 10.5217 10.5555 10.9547 11.2257 12.1260 12.1625 12.7846 12.8712 13.1999 13.2474 14.1677 14.4284 k = 0.2732 0.4732 0.2065 ( 2838 PWs) bands (ev): -56.7013 -56.7013 -29.6546 -29.6462 -21.1017 -21.0613 -20.9902 -20.9813 -4.0220 -4.0218 -3.7744 -3.7739 -3.2550 -3.2547 -2.9845 -2.9841 -2.8825 -2.8820 -2.4512 -2.3148 -1.7169 -1.7112 5.3759 5.4503 5.6557 5.7632 5.8178 5.8943 6.2069 6.2168 7.0217 7.2567 7.4728 7.7131 10.4692 10.5002 10.9091 11.1731 12.1971 12.2435 12.8758 12.9637 13.2276 13.2666 14.1705 14.3976 k = 0.2678 0.4638 0.2065 ( 2846 PWs) bands (ev): -56.7015 -56.7015 -29.6540 -29.6458 -21.0998 -21.0612 -20.9881 -20.9803 -4.0231 -4.0229 -3.7753 -3.7749 -3.2559 -3.2557 -2.9850 -2.9846 -2.8823 -2.8817 -2.4731 -2.3411 -1.7266 -1.7210 5.3680 5.4302 5.6792 5.7754 5.8108 5.8707 6.1684 6.1742 7.1009 7.3429 7.5128 7.7575 10.4206 10.4499 10.8641 11.1219 12.2738 12.3278 12.9701 13.0473 13.2468 13.2844 14.1803 14.3717 k = 0.2623 0.4543 0.2065 ( 2838 PWs) bands (ev): -56.7016 -56.7016 -29.6533 -29.6453 -21.0976 -21.0609 -20.9860 -20.9792 -4.0243 -4.0241 -3.7762 -3.7758 -3.2568 -3.2567 -2.9855 -2.9850 -2.8821 -2.8816 -2.4970 -2.3697 -1.7372 -1.7317 5.3647 5.4141 5.6994 5.7731 5.8092 5.8445 6.1377 6.1400 7.1802 7.4297 7.5525 7.8022 10.3766 10.4049 10.8203 11.0725 12.3554 12.4150 13.0663 13.1058 13.2575 13.3179 14.1950 14.3508 k = 0.2568 0.4448 0.2065 ( 2828 PWs) bands (ev): -56.7017 -56.7017 -29.6525 -29.6447 -21.0951 -21.0602 -20.9839 -20.9781 -4.0256 -4.0254 -3.7772 -3.7767 -3.2579 -3.2578 -2.9859 -2.9853 -2.8821 -2.8817 -2.5228 -2.4004 -1.7486 -1.7432 5.3661 5.4017 5.7128 5.7614 5.8021 5.8148 6.1116 6.1279 7.2591 7.5164 7.5916 7.8471 10.3376 10.3653 10.7783 11.0254 12.4414 12.5048 13.1242 13.1594 13.2646 13.3842 14.2119 14.3345 k = 0.2514 0.4354 0.2065 ( 2836 PWs) bands (ev): -56.7019 -56.7018 -29.6517 -29.6442 -21.0926 -21.0596 -20.9819 -20.9770 -4.0271 -4.0268 -3.7782 -3.7777 -3.2591 -3.2590 -2.9863 -2.9856 -2.8824 -2.8820 -2.5507 -2.4334 -1.7609 -1.7556 5.3719 5.3928 5.7159 5.7464 5.7806 5.7810 6.1010 6.1359 7.3373 7.6019 7.6308 7.8918 10.3041 10.3313 10.7384 10.9808 12.5309 12.5966 13.1126 13.2146 13.3036 13.4757 14.2277 14.3213 k = 0.2459 0.4259 0.2065 ( 2836 PWs) bands (ev): -56.7020 -56.7020 -29.6509 -29.6436 -21.0898 -21.0586 -20.9799 -20.9759 -4.0286 -4.0283 -3.7792 -3.7787 -3.2604 -3.2602 -2.9866 -2.9859 -2.8828 -2.8824 -2.5803 -2.4683 -1.7739 -1.7687 5.3819 5.3866 5.7056 5.7275 5.7438 5.7477 6.1086 6.1622 7.4144 7.6640 7.6918 7.9362 10.2762 10.3030 10.7010 10.9389 12.6229 12.6896 13.0868 13.2114 13.3968 13.5793 14.2398 14.3091 k = 0.2404 0.4164 0.2065 ( 2836 PWs) bands (ev): -56.7022 -56.7022 -29.6500 -29.6430 -21.0867 -21.0574 -20.9778 -20.9748 -4.0303 -4.0300 -3.7802 -3.7798 -3.2618 -3.2615 -2.9869 -2.9861 -2.8833 -2.8831 -2.6117 -2.5051 -1.7877 -1.7827 5.3823 5.3955 5.6774 5.6903 5.7095 5.7236 6.1334 6.2024 7.4899 7.7011 7.7758 7.9801 10.2540 10.2801 10.6663 10.8997 12.7153 12.7820 13.0565 13.1940 13.5027 13.6890 14.2459 14.2961 k = 0.2350 0.4070 0.2065 ( 2836 PWs) bands (ev): -56.7024 -56.7024 -29.6490 -29.6423 -21.0833 -21.0559 -20.9758 -20.9737 -4.0320 -4.0317 -3.7812 -3.7808 -3.2633 -3.2629 -2.9871 -2.9862 -2.8841 -2.8840 -2.6446 -2.5436 -1.8022 -1.7973 5.3785 5.4113 5.6319 5.6381 5.6824 5.7101 6.1720 6.2524 7.5636 7.7360 7.8595 8.0237 10.2375 10.2625 10.6346 10.8635 12.8025 12.8699 13.0309 13.1761 13.6128 13.8023 14.2446 14.2803 k = 0.2295 0.3975 0.2065 ( 2840 PWs) bands (ev): -56.7026 -56.7026 -29.6480 -29.6416 -21.0799 -21.0543 -20.9739 -20.9725 -4.0339 -4.0336 -3.7823 -3.7819 -3.2650 -3.2644 -2.9874 -2.9863 -2.8852 -2.8852 -2.6790 -2.5837 -1.8174 -1.8126 5.3736 5.4266 5.5795 5.5809 5.6583 5.7019 6.2210 6.3098 7.6350 7.7697 7.9417 8.0670 10.2265 10.2501 10.6061 10.8303 12.8645 12.9431 13.0319 13.1708 13.7255 13.9179 14.2354 14.2603 k = 0.2240 0.3881 0.2065 ( 2844 PWs) bands (ev): -56.7028 -56.7028 -29.6470 -29.6408 -21.0761 -21.0524 -20.9719 -20.9714 -4.0358 -4.0356 -3.7834 -3.7830 -3.2667 -3.2660 -2.9877 -2.9864 -2.8867 -2.8864 -2.7146 -2.6251 -1.8331 -1.8286 5.3653 5.4346 5.5213 5.5271 5.6398 5.6997 6.2779 6.3731 7.7036 7.8024 8.0220 8.1100 10.2210 10.2426 10.5809 10.8000 12.8729 12.9807 13.0889 13.2002 13.8402 14.0347 14.2188 14.2355 k = 0.2186 0.3786 0.2065 ( 2844 PWs) bands (ev): -56.7030 -56.7030 -29.6459 -29.6400 -21.0722 -21.0503 -20.9703 -20.9700 -4.0379 -4.0376 -3.7845 -3.7841 -3.2686 -3.2676 -2.9882 -2.9865 -2.8885 -2.8879 -2.7511 -2.6678 -1.8494 -1.8451 5.3517 5.4200 5.4608 5.4843 5.6342 5.7051 6.3410 6.4413 7.7693 7.8342 8.0999 8.1528 10.2206 10.2395 10.5592 10.7727 12.8505 12.9787 13.1796 13.2691 13.9563 14.1469 14.2003 14.2059 k = 0.2131 0.3691 0.2065 ( 2848 PWs) bands (ev): -56.7032 -56.7032 -29.6448 -29.6392 -21.0681 -21.0480 -20.9691 -20.9681 -4.0401 -4.0398 -3.7856 -3.7852 -3.2706 -3.2694 -2.9890 -2.9867 -2.8909 -2.8897 -2.7881 -2.7113 -1.8663 -1.8621 5.3304 5.3751 5.4017 5.4541 5.6472 5.7190 6.4092 6.5139 7.8316 7.8652 8.1751 8.1957 10.2250 10.2405 10.5411 10.7483 12.8211 12.9577 13.2804 13.3572 14.0722 14.1566 14.1732 14.2783 k = 0.2077 0.3597 0.2065 ( 2840 PWs) bands (ev): -56.7034 -56.7034 -29.6435 -29.6382 -21.0637 -21.0454 -20.9679 -20.9662 -4.0423 -4.0421 -3.7866 -3.7863 -3.2728 -3.2713 -2.9904 -2.9871 -2.8945 -2.8918 -2.8243 -2.7552 -1.8835 -1.8796 5.2973 5.3177 5.3480 5.4215 5.6770 5.7416 6.4817 6.5903 7.8906 7.8958 8.2385 8.2470 10.2338 10.2452 10.5267 10.7269 12.7915 12.9306 13.3841 13.4517 14.1215 14.1252 14.2007 14.3954 k = 0.2022 0.3502 0.2065 ( 2836 PWs) bands (ev): -56.7036 -56.7036 -29.6423 -29.6373 -21.0592 -21.0426 -20.9666 -20.9642 -4.0447 -4.0444 -3.7877 -3.7874 -3.2752 -3.2734 -2.9931 -2.9881 -2.9013 -2.8947 -2.8569 -2.7989 -1.9012 -1.8975 5.2488 5.2568 5.3045 5.3831 5.7184 5.7724 6.5582 6.6703 7.9261 7.9460 8.2811 8.3153 10.2466 10.2531 10.5163 10.7085 12.7643 12.9023 13.4874 13.5469 14.0809 14.0867 14.3179 14.5122 k = 0.1967 0.3407 0.2065 ( 2836 PWs) bands (ev): -56.7039 -56.7039 -29.6410 -29.6363 -21.0546 -21.0397 -20.9654 -20.9624 -4.0472 -4.0469 -3.7888 -3.7885 -3.2779 -3.2756 -2.9987 -2.9900 -2.9172 -2.8993 -2.8783 -2.8405 -1.9192 -1.9157 5.1911 5.1949 5.2658 5.3404 5.7677 5.8106 6.6380 6.7536 7.9563 7.9982 8.3234 8.3794 10.2629 10.2639 10.5097 10.6929 12.7403 12.8749 13.5879 13.6398 14.0375 14.0435 14.4392 14.6251 k = 0.1913 0.3313 0.2065 ( 2836 PWs) bands (ev): -56.7041 -56.7041 -29.6398 -29.6353 -21.0499 -21.0367 -20.9641 -20.9605 -4.0497 -4.0495 -3.7899 -3.7896 -3.2809 -3.2781 -3.0111 -2.9944 -2.9391 -2.9103 -2.8874 -2.8738 -1.9375 -1.9343 5.1305 5.1329 5.2267 5.2947 5.8231 5.8554 6.7210 6.8398 7.9868 8.0473 8.3648 8.4390 10.2773 10.2824 10.5072 10.6803 12.7203 12.8496 13.6830 13.7282 13.9927 13.9992 14.5622 14.7280 k = 0.1858 0.3218 0.2065 ( 2844 PWs) bands (ev): -56.7044 -56.7044 -29.6385 -29.6344 -21.0452 -21.0336 -20.9628 -20.9586 -4.0524 -4.0521 -3.7911 -3.7907 -3.2845 -3.2810 -3.0346 -3.0052 -2.9547 -2.9333 -2.8920 -2.8888 -1.9561 -1.9530 5.0693 5.0711 5.1857 5.2468 5.8837 5.9061 6.8066 6.9287 8.0176 8.0939 8.4049 8.4934 10.2929 10.3045 10.5085 10.6707 12.7045 12.8268 13.7693 13.8096 13.9486 13.9556 14.6866 14.8093 k = 0.1803 0.3123 0.2065 ( 2838 PWs) bands (ev): -56.7047 -56.7046 -29.6371 -29.6333 -21.0403 -21.0303 -20.9614 -20.9566 -4.0551 -4.0549 -3.7922 -3.7918 -3.2888 -3.2843 -3.0670 -3.0289 -2.9621 -2.9526 -2.8954 -2.8946 -1.9748 -1.9719 5.0084 5.0100 5.1428 5.1974 5.9486 5.9622 6.8948 7.0201 8.0492 8.1383 8.4431 8.5424 10.3107 10.3289 10.5137 10.6640 12.6930 12.8068 13.8392 13.8790 13.9110 13.9170 14.8127 14.8592 k = 0.1749 0.3029 0.2065 ( 2842 PWs) bands (ev): -56.7049 -56.7049 -29.6358 -29.6322 -21.0355 -21.0270 -20.9600 -20.9547 -4.0580 -4.0577 -3.7933 -3.7930 -3.2942 -3.2883 -3.1033 -3.0646 -2.9655 -2.9615 -2.8984 -2.8983 -1.9936 -1.9909 4.9482 4.9497 5.0981 5.1467 6.0175 6.0231 6.9852 7.1137 8.0816 8.1811 8.4789 8.5855 10.3304 10.3551 10.5224 10.6602 12.6857 12.7898 13.8471 13.8697 13.9235 13.9496 14.8887 14.9406 k = 0.1694 0.2934 0.2065 ( 2838 PWs) bands (ev): -56.7052 -56.7052 -29.6345 -29.6311 -21.0306 -21.0236 -20.9584 -20.9526 -4.0608 -4.0606 -3.7944 -3.7941 -3.3016 -3.2936 -3.1399 -3.1050 -2.9669 -2.9650 -2.9013 -2.9012 -2.0124 -2.0100 4.8889 4.8903 5.0519 5.0951 6.0884 6.0901 7.0774 7.2093 8.1151 8.2227 8.5118 8.6224 10.3521 10.3828 10.5343 10.6593 12.6827 12.7757 13.8127 13.8344 13.9653 14.0004 14.9146 15.0695 k = 0.1639 0.2839 0.2065 ( 2830 PWs) bands (ev): -56.7054 -56.7054 -29.6330 -29.6299 -21.0258 -21.0201 -20.9567 -20.9505 -4.0638 -4.0636 -3.7955 -3.7952 -3.3123 -3.3010 -3.1745 -3.1456 -2.9673 -2.9664 -2.9041 -2.9039 -2.0312 -2.0290 4.8307 4.8321 5.0047 5.0428 6.1577 6.1660 7.1714 7.3066 8.1498 8.2634 8.5415 8.6531 10.3758 10.4116 10.5490 10.6612 12.6838 12.7647 13.7779 13.8026 13.9947 14.0405 14.9432 15.1408 k = 0.1585 0.2745 0.2065 ( 2830 PWs) bands (ev): -56.7057 -56.7057 -29.6317 -29.6288 -21.0211 -21.0167 -20.9548 -20.9483 -4.0668 -4.0666 -3.7967 -3.7964 -3.3281 -3.3122 -3.2043 -3.1833 -2.9673 -2.9668 -2.9068 -2.9066 -2.0500 -2.0480 4.7737 4.7751 4.9565 4.9902 6.2308 6.2449 7.2667 7.4053 8.1859 8.3034 8.5679 8.6775 10.4013 10.4412 10.5659 10.6656 12.6888 12.7568 13.7468 13.7756 14.0094 14.0695 14.9737 15.1285 k = 0.1530 0.2650 0.2065 ( 2832 PWs) bands (ev): -56.7060 -56.7060 -29.6303 -29.6277 -21.0166 -21.0134 -20.9528 -20.9460 -4.0699 -4.0697 -3.7978 -3.7976 -3.3509 -3.3299 -3.2272 -3.2146 -2.9670 -2.9668 -2.9094 -2.9092 -2.0686 -2.0668 4.7181 4.7195 4.9078 4.9374 6.3072 6.3266 7.3631 7.5050 8.2236 8.3428 8.5912 8.6956 10.4286 10.4714 10.5846 10.6725 12.6975 12.7519 13.7206 13.7540 14.0113 14.0883 15.0020 15.1088 k = 0.1475 0.2555 0.2065 ( 2836 PWs) bands (ev): -56.7063 -56.7063 -29.6290 -29.6266 -21.0124 -21.0102 -20.9505 -20.9436 -4.0730 -4.0728 -3.7990 -3.7987 -3.3806 -3.3562 -3.2432 -3.2371 -2.9666 -2.9664 -2.9120 -2.9117 -2.0870 -2.0854 4.6639 4.6653 4.8587 4.8847 6.3868 6.4109 7.4603 7.6055 8.2629 8.3811 8.6118 8.7078 10.4574 10.5018 10.6046 10.6814 12.7098 12.7503 13.6997 13.7378 14.0032 14.0986 15.0230 15.0822 k = 0.1421 0.2461 0.2065 ( 2840 PWs) bands (ev): -56.7066 -56.7065 -29.6276 -29.6255 -21.0084 -21.0071 -20.9480 -20.9410 -4.0762 -4.0760 -3.8002 -3.7999 -3.4152 -3.3902 -3.2539 -3.2515 -2.9660 -2.9660 -2.9144 -2.9141 -2.1052 -2.1038 4.6113 4.6126 4.8094 4.8322 6.4691 6.4974 7.5580 7.7064 8.3040 8.4178 8.6306 8.7143 10.4873 10.5321 10.6254 10.6921 12.7257 12.7522 13.6847 13.7273 13.9878 14.1018 15.0331 15.0478 k = 0.1366 0.2366 0.2065 ( 2840 PWs) bands (ev): -56.7068 -56.7068 -29.6263 -29.6243 -21.0046 -21.0041 -20.9453 -20.9383 -4.0794 -4.0792 -3.8014 -3.8011 -3.4526 -3.4287 -3.2613 -3.2607 -2.9655 -2.9655 -2.9167 -2.9165 -2.1231 -2.1218 4.5603 4.5616 4.7603 4.7801 6.5540 6.5860 7.6559 7.8072 8.3470 8.4515 8.6492 8.7157 10.5180 10.5622 10.6466 10.7041 12.7452 12.7580 13.6755 13.7223 13.9674 14.0997 15.0056 15.0301 k = 0.1311 0.2272 0.2065 ( 2844 PWs) bands (ev): -56.7071 -56.7071 -29.6250 -29.6232 -21.0013 -21.0012 -20.9423 -20.9355 -4.0826 -4.0824 -3.8026 -3.8024 -3.4913 -3.4693 -3.2669 -3.2668 -2.9651 -2.9650 -2.9189 -2.9187 -2.1407 -2.1395 4.5109 4.5122 4.7115 4.7286 6.6411 6.6763 7.7536 7.9075 8.3920 8.4804 8.6699 8.7125 10.5488 10.5916 10.6677 10.7171 12.7680 12.7683 13.6722 13.7222 13.9439 14.0939 14.9559 15.0138 k = 0.1257 0.2177 0.2065 ( 2840 PWs) bands (ev): -56.7074 -56.7074 -29.6236 -29.6220 -20.9986 -20.9981 -20.9390 -20.9324 -4.0858 -4.0856 -3.8039 -3.8036 -3.5304 -3.5106 -3.2714 -3.2710 -2.9647 -2.9646 -2.9208 -2.9206 -2.1578 -2.1568 4.4633 4.4645 4.6632 4.6779 6.7301 6.7681 7.8509 8.0068 8.4390 8.5025 8.6949 8.7053 10.5793 10.6200 10.6886 10.7308 12.7828 12.7953 13.6746 13.7267 13.9186 14.0856 14.8996 14.9852 k = 0.1202 0.2082 0.2065 ( 2844 PWs) bands (ev): -56.7076 -56.7076 -29.6223 -29.6209 -20.9962 -20.9954 -20.9355 -20.9292 -4.0889 -4.0888 -3.8051 -3.8049 -3.5693 -3.5517 -3.2750 -3.2745 -2.9645 -2.9644 -2.9226 -2.9224 -2.1746 -2.1737 4.4174 4.4186 4.6155 4.6281 6.8208 6.8611 7.9475 8.1044 8.4883 8.5164 8.6948 8.7261 10.6089 10.6470 10.7089 10.7450 12.8027 12.8264 13.6821 13.7350 13.8928 14.0761 14.8377 14.9461 k = 0.1148 0.1988 0.2065 ( 2840 PWs) bands (ev): -56.7079 -56.7079 -29.6210 -29.6198 -20.9940 -20.9929 -20.9317 -20.9259 -4.0921 -4.0920 -3.8065 -3.8062 -3.6076 -3.5922 -3.2780 -3.2774 -2.9644 -2.9643 -2.9241 -2.9240 -2.1908 -2.1901 4.3734 4.3746 4.5688 4.5795 6.9128 6.9550 8.0429 8.1995 8.5225 8.5397 8.6818 8.7633 10.6370 10.6720 10.7284 10.7598 12.8282 12.8617 13.6942 13.7463 13.8673 14.0665 14.7715 14.8986 k = 0.1093 0.1893 0.2065 ( 2840 PWs) bands (ev): -56.7081 -56.7081 -29.6198 -29.6187 -20.9920 -20.9908 -20.9278 -20.9225 -4.0952 -4.0951 -3.8079 -3.8076 -3.6451 -3.6317 -3.2805 -3.2799 -2.9645 -2.9644 -2.9253 -2.9252 -2.2065 -2.2059 4.3313 4.3324 4.5230 4.5321 7.0057 7.0494 8.1368 8.2912 8.5222 8.5931 8.6676 8.8055 10.6631 10.6941 10.7473 10.7753 12.8596 12.9015 13.7100 13.7596 13.8431 14.0577 14.7020 14.8445 k = 0.1038 0.1798 0.2065 ( 2832 PWs) bands (ev): -56.7084 -56.7084 -29.6185 -29.6176 -20.9901 -20.9890 -20.9236 -20.9189 -4.0983 -4.0982 -3.8094 -3.8090 -3.6814 -3.6700 -3.2827 -3.2822 -2.9648 -2.9648 -2.9262 -2.9262 -2.2217 -2.2211 4.2910 4.2921 4.4785 4.4861 7.0993 7.1441 8.2288 8.3780 8.5173 8.6381 8.6638 8.8514 10.6863 10.7127 10.7658 10.7918 12.8971 12.9460 13.7282 13.7739 13.8214 14.0506 14.6304 14.7855 k = 0.0984 0.1704 0.2065 ( 2832 PWs) bands (ev): -56.7086 -56.7086 -29.6173 -29.6165 -20.9885 -20.9874 -20.9195 -20.9152 -4.1014 -4.1013 -3.8111 -3.8107 -3.7164 -3.7068 -3.2847 -3.2842 -2.9654 -2.9653 -2.9269 -2.9268 -2.2362 -2.2358 4.2527 4.2537 4.4353 4.4416 7.1931 7.2386 8.3185 8.4573 8.5091 8.6328 8.7151 8.8997 10.7061 10.7273 10.7843 10.8096 12.9406 12.9951 13.7456 13.7882 13.8053 14.0460 14.5579 14.7234 k = 0.0929 0.1609 0.2065 ( 2836 PWs) bands (ev): -56.7089 -56.7089 -29.6162 -29.6156 -20.9871 -20.9861 -20.9153 -20.9116 -4.1044 -4.1042 -3.8135 -3.8128 -3.7495 -3.7416 -3.2865 -3.2861 -2.9662 -2.9661 -2.9273 -2.9272 -2.2502 -2.2498 4.2164 4.2173 4.3937 4.3988 7.2867 7.3325 8.4043 8.5000 8.5204 8.6293 8.7777 8.9496 10.7218 10.7378 10.8030 10.8283 12.9901 13.0487 13.7527 13.8015 13.8037 14.0447 14.4854 14.6594 k = 0.0874 0.1514 0.2065 ( 2836 PWs) bands (ev): -56.7091 -56.7091 -29.6152 -29.6146 -20.9859 -20.9850 -20.9111 -20.9079 -4.1072 -4.1071 -3.8179 -3.8164 -3.7791 -3.7734 -3.2882 -3.2878 -2.9671 -2.9671 -2.9274 -2.9274 -2.2634 -2.2631 4.1821 4.1829 4.3537 4.3579 7.3797 7.4255 8.4677 8.5090 8.5452 8.6575 8.8437 9.0004 10.7335 10.7448 10.8222 10.8474 13.0453 13.1068 13.7451 13.8130 13.8207 14.0469 14.4139 14.5948 k = 0.0820 0.1420 0.2065 ( 2820 PWs) bands (ev): -56.7093 -56.7093 -29.6140 -29.6135 -20.9847 -20.9839 -20.9069 -20.9042 -4.1100 -4.1099 -3.8298 -3.8262 -3.7996 -3.7972 -3.2897 -3.2894 -2.9682 -2.9682 -2.9273 -2.9273 -2.2760 -2.2757 4.1498 4.1505 4.3154 4.3188 7.4716 7.5170 8.4649 8.5376 8.5802 8.7123 8.9118 9.0515 10.7413 10.7489 10.8414 10.8661 13.1056 13.1690 13.7337 13.8222 13.8451 14.0528 14.3447 14.5308 k = 0.0765 0.1325 0.2065 ( 2820 PWs) bands (ev): -56.7095 -56.7095 -29.6130 -29.6126 -20.9837 -20.9830 -20.9029 -20.9007 -4.1127 -4.1126 -3.8528 -3.8484 -3.8074 -3.8070 -3.2911 -3.2909 -2.9694 -2.9694 -2.9270 -2.9270 -2.2878 -2.2876 4.1195 4.1201 4.2790 4.2817 7.5620 7.6066 8.4517 8.5207 8.6579 8.7716 8.9808 9.1025 10.7458 10.7505 10.8603 10.8839 13.1706 13.2347 13.7232 13.8288 13.8716 14.0618 14.2788 14.4683 k = 0.0710 0.1230 0.2065 ( 2820 PWs) bands (ev): -56.7097 -56.7097 -29.6121 -29.6118 -20.9829 -20.9823 -20.8990 -20.8972 -4.1152 -4.1152 -3.8788 -3.8750 -3.8106 -3.8104 -3.2924 -3.2922 -2.9707 -2.9707 -2.9266 -2.9266 -2.2990 -2.2988 4.0912 4.0918 4.2447 4.2467 7.6503 7.6937 8.4373 8.5014 8.7330 8.8293 9.0495 9.1528 10.7476 10.7503 10.8783 10.9004 13.2395 13.3036 13.7150 13.8331 13.8983 14.0726 14.2179 14.4084 k = 0.0656 0.1136 0.2065 ( 2820 PWs) bands (ev): -56.7099 -56.7099 -29.6112 -29.6110 -20.9822 -20.9817 -20.8953 -20.8938 -4.1177 -4.1176 -3.9042 -3.9011 -3.8124 -3.8124 -3.2936 -3.2935 -2.9720 -2.9720 -2.9261 -2.9261 -2.3093 -2.3092 4.0651 4.0655 4.2124 4.2140 7.7360 7.7779 8.4228 8.4815 8.8046 8.8844 9.1166 9.2021 10.7474 10.7485 10.8949 10.9150 13.3117 13.3749 13.7094 13.8350 13.9241 14.0822 14.1655 14.3522 k = 0.0601 0.1041 0.2065 ( 2814 PWs) bands (ev): -56.7100 -56.7100 -29.6104 -29.6102 -20.9815 -20.9812 -20.8917 -20.8906 -4.1199 -4.1199 -3.9282 -3.9258 -3.8138 -3.8138 -3.2947 -3.2946 -2.9733 -2.9733 -2.9256 -2.9256 -2.3189 -2.3188 4.0410 4.0413 4.1824 4.1836 7.8184 7.8584 8.4086 8.4620 8.8720 8.9364 9.1811 9.2499 10.7455 10.7457 10.9100 10.9278 13.3860 13.4478 13.7064 13.8344 13.9481 14.0788 14.1339 14.3010 k = 0.0546 0.0946 0.2065 ( 2810 PWs) bands (ev): -56.7102 -56.7102 -29.6096 -29.6095 -20.9810 -20.9807 -20.8885 -20.8876 -4.1220 -4.1220 -3.9505 -3.9487 -3.8150 -3.8150 -3.2957 -3.2957 -2.9746 -2.9746 -2.9250 -2.9250 -2.3277 -2.3276 4.0189 4.0192 4.1546 4.1555 7.8969 7.9347 8.3951 8.4431 8.9349 8.9853 9.2424 9.2960 10.7420 10.7424 10.9232 10.9383 13.4616 13.5214 13.7059 13.8306 13.9694 14.0521 14.1344 14.2562 k = 0.0492 0.0852 0.2065 ( 2804 PWs) bands (ev): -56.7103 -56.7103 -29.6089 -29.6088 -20.9805 -20.9803 -20.8854 -20.8847 -4.1240 -4.1240 -3.9709 -3.9696 -3.8160 -3.8160 -3.2967 -3.2966 -2.9758 -2.9758 -2.9244 -2.9243 -2.3357 -2.3356 3.9990 3.9992 4.1293 4.1299 7.9710 8.0062 8.3824 8.4253 8.9928 9.0309 9.2997 9.3400 10.7378 10.7385 10.9343 10.9468 13.5371 13.5945 13.7076 13.8230 13.9869 14.0248 14.1457 14.2196 k = 0.0437 0.0757 0.2065 ( 2804 PWs) bands (ev): -56.7104 -56.7104 -29.6083 -29.6082 -20.9801 -20.9800 -20.8826 -20.8822 -4.1258 -4.1257 -3.9893 -3.9884 -3.8168 -3.8168 -3.2975 -3.2975 -2.9769 -2.9769 -2.9238 -2.9238 -2.3429 -2.3428 3.9811 3.9813 4.1064 4.1068 8.0400 8.0722 8.3709 8.4086 9.0453 9.0728 9.3526 9.3816 10.7335 10.7342 10.9433 10.9530 13.6106 13.6643 13.7119 13.8115 13.9999 14.0070 14.1586 14.1932 k = 0.0383 0.0663 0.2065 ( 2796 PWs) bands (ev): -56.7105 -56.7105 -29.6077 -29.6076 -20.9798 -20.9797 -20.8801 -20.8798 -4.1273 -4.1273 -4.0058 -4.0051 -3.8176 -3.8176 -3.2982 -3.2982 -2.9779 -2.9779 -2.9232 -2.9232 -2.3492 -2.3492 3.9654 3.9655 4.0860 4.0863 8.1031 8.1321 8.3606 8.3933 9.0920 9.1109 9.4006 9.4204 10.7291 10.7298 10.9502 10.9573 13.6781 13.7071 13.7398 13.7992 14.0008 14.0091 14.1708 14.1781 k = 0.0328 0.0568 0.2065 ( 2796 PWs) bands (ev): -56.7106 -56.7106 -29.6072 -29.6072 -20.9795 -20.9795 -20.8779 -20.8777 -4.1287 -4.1287 -4.0201 -4.0197 -3.8182 -3.8182 -3.2989 -3.2989 -2.9789 -2.9789 -2.9227 -2.9227 -2.3547 -2.3547 3.9517 3.9518 4.0682 4.0684 8.1597 8.1852 8.3517 8.3796 9.1326 9.1447 9.4433 9.4559 10.7249 10.7254 10.9550 10.9599 13.7127 13.7275 13.7966 13.7975 14.0061 14.0188 14.1733 14.1818 k = 0.0273 0.0473 0.2065 ( 2800 PWs) bands (ev): -56.7107 -56.7107 -29.6068 -29.6068 -20.9794 -20.9793 -20.8761 -20.8760 -4.1299 -4.1299 -4.0323 -4.0321 -3.8188 -3.8188 -3.2994 -3.2994 -2.9797 -2.9797 -2.9222 -2.9222 -2.3594 -2.3594 3.9402 3.9402 4.0531 4.0532 8.2093 8.2310 8.3443 8.3674 9.1669 9.1740 9.4803 9.4877 10.7210 10.7214 10.9580 10.9611 13.7145 13.7370 13.8260 13.8431 14.0240 14.0363 14.1758 14.1913 k = 0.0219 0.0379 0.2065 ( 2804 PWs) bands (ev): -56.7108 -56.7108 -29.6065 -29.6065 -20.9792 -20.9792 -20.8746 -20.8746 -4.1309 -4.1309 -4.0424 -4.0423 -3.8193 -3.8193 -3.2999 -3.2999 -2.9804 -2.9804 -2.9219 -2.9219 -2.3633 -2.3632 3.9307 3.9307 4.0406 4.0406 8.2512 8.2688 8.3386 8.3569 9.1949 9.1986 9.5111 9.5149 10.7177 10.7179 10.9597 10.9614 13.7143 13.7284 13.8603 13.8734 14.0550 14.0666 14.1828 14.1991 k = 0.0164 0.0284 0.2065 ( 2812 PWs) bands (ev): -56.7109 -56.7109 -29.6063 -29.6063 -20.9791 -20.9791 -20.8735 -20.8734 -4.1317 -4.1317 -4.0503 -4.0502 -3.8196 -3.8196 -3.3003 -3.3003 -2.9809 -2.9809 -2.9216 -2.9216 -2.3662 -2.3662 3.9234 3.9234 4.0309 4.0309 8.2849 8.2983 8.3345 8.3482 9.2164 9.2180 9.5355 9.5372 10.7150 10.7151 10.9603 10.9610 13.7124 13.7189 13.8838 13.8902 14.0956 14.1056 14.1923 14.2056 k = 0.0109 0.0189 0.2065 ( 2816 PWs) bands (ev): -56.7109 -56.7109 -29.6062 -29.6062 -20.9791 -20.9791 -20.8726 -20.8726 -4.1322 -4.1322 -4.0559 -4.0559 -3.8199 -3.8199 -3.3005 -3.3005 -2.9813 -2.9813 -2.9214 -2.9214 -2.3684 -2.3684 3.9181 3.9181 4.0239 4.0239 8.3099 8.3188 8.3323 8.3414 9.2317 9.2322 9.5532 9.5536 10.7130 10.7130 10.9603 10.9605 13.7097 13.7117 13.8973 13.8993 14.1362 14.1422 14.2047 14.2120 k = 0.0055 0.0095 0.2065 ( 2824 PWs) bands (ev): -56.7110 -56.7110 -29.6061 -29.6061 -20.9791 -20.9791 -20.8722 -20.8722 -4.1326 -4.1326 -4.0593 -4.0593 -3.8201 -3.8201 -3.3007 -3.3007 -2.9815 -2.9815 -2.9213 -2.9213 -2.3697 -2.3697 3.9150 3.9150 4.0197 4.0197 8.3259 8.3295 8.3327 8.3364 9.2407 9.2408 9.5638 9.5638 10.7117 10.7117 10.9601 10.9601 13.7073 13.7076 13.9039 13.9041 14.1642 14.1654 14.2189 14.2203 k = 0.0000 0.0000 0.2065 ( 2830 PWs) bands (ev): -56.7110 -56.7110 -29.6061 -29.6061 -20.9791 -20.9791 -20.8720 -20.8720 -4.1327 -4.1327 -4.0604 -4.0604 -3.8201 -3.8201 -3.3008 -3.3008 -2.9816 -2.9816 -2.9212 -2.9212 -2.3701 -2.3701 3.9139 3.9139 4.0183 4.0183 8.3315 8.3315 8.3345 8.3345 9.2437 9.2437 9.5673 9.5673 10.7113 10.7113 10.9600 10.9600 13.7063 13.7063 13.9057 13.9057 14.1728 14.1728 14.2259 14.2259 k = 0.5000 0.2887 0.2065 ( 2848 PWs) bands (ev): -56.7019 -56.7019 -29.6480 -29.6480 -21.1022 -21.1022 -20.9513 -20.9513 -4.0303 -4.0303 -3.7918 -3.7918 -3.2591 -3.2591 -3.0086 -3.0086 -2.8419 -2.8419 -2.4844 -2.4844 -1.7595 -1.7595 4.6150 4.6150 5.5571 5.5571 5.8317 5.8317 6.4702 6.4702 7.7465 7.7465 9.2396 9.2396 9.9528 9.9528 10.1087 10.1087 11.8360 11.8360 14.0552 14.0552 14.3820 14.3820 14.8492 14.8492 k = 0.5000 0.2887 0.1956 ( 2848 PWs) bands (ev): -56.7019 -56.7019 -29.6480 -29.6480 -21.1022 -21.1022 -20.9513 -20.9513 -4.0308 -4.0300 -3.7918 -3.7918 -3.2594 -3.2594 -3.0086 -3.0086 -2.8420 -2.8419 -2.4852 -2.4808 -1.7625 -1.7589 4.6136 4.6141 5.5509 5.5606 5.8211 5.8368 6.4773 6.4820 7.7467 7.7468 9.2372 9.2407 9.9484 9.9499 10.1077 10.1077 11.8296 11.8343 14.0538 14.0556 14.3794 14.3881 14.8407 14.8578 k = 0.5000 0.2887 0.1847 ( 2848 PWs) bands (ev): -56.7019 -56.7019 -29.6480 -29.6480 -21.1022 -21.1022 -20.9513 -20.9513 -4.0315 -4.0299 -3.7918 -3.7917 -3.2601 -3.2601 -3.0086 -3.0085 -2.8421 -2.8419 -2.4832 -2.4745 -1.7679 -1.7606 4.6100 4.6109 5.5419 5.5611 5.8063 5.8368 6.5025 6.5113 7.7475 7.7477 9.2334 9.2405 9.9372 9.9393 10.1042 10.1049 11.8153 11.8245 14.0516 14.0552 14.3796 14.3978 14.8312 14.8665 k = 0.5000 0.2887 0.1739 ( 2850 PWs) bands (ev): -56.7019 -56.7019 -29.6480 -29.6480 -21.1022 -21.1022 -20.9513 -20.9513 -4.0323 -4.0300 -3.7919 -3.7917 -3.2612 -3.2612 -3.0087 -3.0085 -2.8422 -2.8419 -2.4784 -2.4655 -1.7755 -1.7646 4.6042 4.6056 5.5298 5.5580 5.7903 5.8339 6.5439 6.5558 7.7488 7.7492 9.2284 9.2391 9.9198 9.9209 10.0979 10.1004 11.7938 11.8072 14.0485 14.0537 14.3815 14.4111 14.8192 14.8741 k = 0.5000 0.2887 0.1630 ( 2850 PWs) bands (ev): -56.7019 -56.7019 -29.6480 -29.6480 -21.1022 -21.1022 -20.9513 -20.9513 -4.0333 -4.0303 -3.7919 -3.7917 -3.2628 -3.2628 -3.0087 -3.0085 -2.8423 -2.8419 -2.4709 -2.4539 -1.7854 -1.7709 4.5966 4.5983 5.5145 5.5502 5.7762 5.8304 6.5987 6.6128 7.7507 7.7512 9.2220 9.2366 9.8948 9.8963 10.0886 10.0941 11.7663 11.7834 14.0447 14.0513 14.3842 14.4274 14.8033 14.8784 k = 0.5000 0.2887 0.1521 ( 2856 PWs) bands (ev): -56.7019 -56.7019 -29.6481 -29.6481 -21.1022 -21.1022 -20.9514 -20.9514 -4.0344 -4.0308 -3.7919 -3.7917 -3.2647 -3.2646 -3.0087 -3.0085 -2.8424 -2.8419 -2.4608 -2.4399 -1.7974 -1.7795 4.5874 4.5893 5.4963 5.5373 5.7667 5.8283 6.6641 6.6797 7.7530 7.7536 9.2144 9.2331 9.8611 9.8671 10.0765 10.0859 11.7341 11.7544 14.0402 14.0480 14.3865 14.4459 14.7822 14.8766 k = 0.5000 0.2887 0.1413 ( 2852 PWs) bands (ev): -56.7019 -56.7019 -29.6481 -29.6481 -21.1022 -21.1022 -20.9513 -20.9513 -4.0355 -4.0314 -3.7919 -3.7917 -3.2668 -3.2667 -3.0087 -3.0085 -2.8425 -2.8420 -2.4481 -2.4236 -1.8115 -1.7903 4.5770 4.5789 5.4759 5.5195 5.7628 5.8284 6.7380 6.7545 7.7558 7.7565 9.2057 9.2288 9.8201 9.8323 10.0619 10.0758 11.6987 11.7216 14.0350 14.0438 14.3877 14.4655 14.7556 14.8672 k = 0.5000 0.2887 0.1304 ( 2852 PWs) bands (ev): -56.7019 -56.7019 -29.6481 -29.6481 -21.1022 -21.1022 -20.9513 -20.9513 -4.0367 -4.0322 -3.7919 -3.7917 -3.2691 -3.2690 -3.0087 -3.0085 -2.8426 -2.8420 -2.4332 -2.4052 -1.8276 -1.8032 4.5656 4.5675 5.4541 5.4979 5.7643 5.8310 6.8184 6.8355 7.7589 7.7597 9.1959 9.2238 9.7721 9.7917 10.0452 10.0638 11.6617 11.6864 14.0294 14.0388 14.3873 14.4850 14.7245 14.8511 k = 0.5000 0.2887 0.1195 ( 2854 PWs) bands (ev): -56.7019 -56.7019 -29.6481 -29.6481 -21.1022 -21.1022 -20.9513 -20.9513 -4.0379 -4.0332 -3.7920 -3.7917 -3.2716 -3.2714 -3.0088 -3.0085 -2.8427 -2.8421 -2.4160 -2.3849 -1.8456 -1.8182 4.5536 4.5554 5.4317 5.4742 5.7701 5.8356 6.9038 6.9211 7.7624 7.7633 9.1851 9.2183 9.7175 9.7457 10.0272 10.0501 11.6244 11.6502 14.0235 14.0332 14.3851 14.5033 14.6908 14.8306 k = 0.5000 0.2887 0.1087 ( 2858 PWs) bands (ev): -56.7019 -56.7019 -29.6481 -29.6481 -21.1023 -21.1023 -20.9514 -20.9514 -4.0391 -4.0343 -3.7920 -3.7917 -3.2742 -3.2739 -3.0088 -3.0085 -2.8427 -2.8422 -2.3968 -2.3628 -1.8654 -1.8351 4.5413 4.5431 5.4097 5.4498 5.7791 5.8418 6.9928 7.0101 7.7661 7.7671 9.1733 9.2126 9.6569 9.6943 10.0086 10.0351 11.5881 11.6142 14.0173 14.0270 14.3814 14.5188 14.6573 14.8086 k = 0.5000 0.2887 0.0978 ( 2858 PWs) bands (ev): -56.7019 -56.7019 -29.6481 -29.6481 -21.1023 -21.1023 -20.9514 -20.9514 -4.0402 -4.0354 -3.7920 -3.7917 -3.2766 -3.2763 -3.0088 -3.0085 -2.8428 -2.8423 -2.3757 -2.3392 -1.8868 -1.8538 4.5292 4.5308 5.3888 5.4258 5.7900 5.8489 7.0842 7.1010 7.7700 7.7710 9.1605 9.2067 9.5911 9.6384 9.9901 10.0191 11.5540 11.5796 14.0110 14.0206 14.3768 14.5287 14.6280 14.7871 k = 0.5000 0.2887 0.0869 ( 2858 PWs) bands (ev): -56.7019 -56.7019 -29.6481 -29.6481 -21.1023 -21.1023 -20.9514 -20.9514 -4.0413 -4.0366 -3.7920 -3.7917 -3.2790 -3.2787 -3.0088 -3.0086 -2.8429 -2.8424 -2.3530 -2.3142 -1.9097 -1.8743 4.5175 4.5188 5.3694 5.4030 5.8021 5.8563 7.1763 7.1926 7.7741 7.7751 9.1467 9.2008 9.5212 9.5790 9.9725 10.0026 11.5227 11.5472 14.0048 14.0141 14.3717 14.5274 14.6098 14.7671 k = 0.5000 0.2887 0.0761 ( 2862 PWs) bands (ev): -56.7020 -56.7020 -29.6481 -29.6481 -21.1023 -21.1023 -20.9514 -20.9514 -4.0422 -4.0378 -3.7920 -3.7917 -3.2813 -3.2809 -3.0088 -3.0086 -2.8429 -2.8425 -2.3288 -2.2881 -1.9339 -1.8963 4.5065 4.5076 5.3521 5.3818 5.8147 5.8635 7.2678 7.2831 7.7782 7.7792 9.1317 9.1951 9.4488 9.5177 9.9562 9.9861 11.4949 11.5177 13.9989 14.0075 14.3669 14.5119 14.6065 14.7492 k = 0.5000 0.2887 0.0652 ( 2854 PWs) bands (ev): -56.7019 -56.7019 -29.6481 -29.6481 -21.1022 -21.1022 -20.9513 -20.9513 -4.0430 -4.0390 -3.7920 -3.7918 -3.2833 -3.2829 -3.0088 -3.0086 -2.8429 -2.8425 -2.3034 -2.2611 -1.9592 -1.9197 4.4964 4.4973 5.3369 5.3628 5.8272 5.8702 7.3567 7.3708 7.7824 7.7835 9.1152 9.1890 9.3763 9.4568 9.9417 9.9701 11.4709 11.4914 13.9935 14.0013 14.3630 14.4889 14.6121 14.7334 k = 0.5000 0.2887 0.0543 ( 2852 PWs) bands (ev): -56.7019 -56.7019 -29.6481 -29.6481 -21.1022 -21.1022 -20.9513 -20.9513 -4.0437 -4.0401 -3.7920 -3.7918 -3.2851 -3.2847 -3.0087 -3.0086 -2.8429 -2.8426 -2.2770 -2.2335 -1.9854 -1.9443 4.4875 4.4883 5.3243 5.3460 5.8392 5.8757 7.4406 7.4530 7.7869 7.7879 9.0971 9.1813 9.3078 9.3990 9.9295 9.9551 11.4509 11.4687 13.9886 13.9955 14.3605 14.4650 14.6206 14.7194 k = 0.5000 0.2887 0.0435 ( 2852 PWs) bands (ev): -56.7019 -56.7019 -29.6481 -29.6481 -21.1022 -21.1022 -20.9513 -20.9513 -4.0441 -4.0412 -3.7920 -3.7918 -3.2866 -3.2862 -3.0087 -3.0086 -2.8430 -2.8427 -2.2497 -2.2055 -2.0122 -1.9700 4.4800 4.4806 5.3142 5.3317 5.8502 5.8800 7.5166 7.5269 7.7916 7.7926 9.0776 9.1663 9.2521 9.3474 9.9197 9.9416 11.4350 11.4497 13.9845 13.9903 14.3597 14.4426 14.6299 14.7070 k = 0.5000 0.2887 0.0326 ( 2842 PWs) bands (ev): -56.7019 -56.7019 -29.6480 -29.6480 -21.1022 -21.1022 -20.9512 -20.9512 -4.0444 -4.0421 -3.7919 -3.7918 -3.2877 -3.2875 -3.0087 -3.0086 -2.8429 -2.8427 -2.2219 -2.1777 -2.0391 -1.9965 4.4740 4.4744 5.3068 5.3200 5.8600 5.8826 7.5809 7.5888 7.7969 7.7979 9.0582 9.1336 9.2233 9.3043 9.9127 9.9299 11.4232 11.4344 13.9814 13.9859 14.3610 14.4226 14.6392 14.6958 k = 0.5000 0.2887 0.0217 ( 2838 PWs) bands (ev): -56.7019 -56.7019 -29.6479 -29.6479 -21.1022 -21.1022 -20.9512 -20.9512 -4.0445 -4.0429 -3.7919 -3.7918 -3.2885 -3.2884 -3.0087 -3.0086 -2.8429 -2.8428 -2.1939 -2.1516 -2.0647 -2.0234 4.4696 4.4699 5.3021 5.3110 5.8683 5.8835 7.6296 7.6348 7.8027 7.8036 9.0421 9.0922 9.2165 9.2708 9.9085 9.9204 11.4154 11.4230 13.9793 13.9824 14.3647 14.4054 14.6484 14.6855 k = 0.5000 0.2887 0.0109 ( 2854 PWs) bands (ev): -56.7019 -56.7019 -29.6481 -29.6481 -21.1023 -21.1023 -20.9513 -20.9513 -4.0444 -4.0436 -3.7919 -3.7919 -3.2891 -3.2890 -3.0087 -3.0086 -2.8429 -2.8428 -2.1666 -2.1340 -2.0821 -2.0501 4.4670 4.4671 5.3002 5.3046 5.8749 5.8825 7.6599 7.6624 7.8079 7.8085 9.0341 9.0584 9.2198 9.2463 9.9073 9.9133 11.4115 11.4153 13.9783 13.9799 14.3708 14.3911 14.6574 14.6758 k = 0.5000 0.2887-0.0000 ( 2854 PWs) bands (ev): -56.7019 -56.7019 -29.6481 -29.6481 -21.1023 -21.1023 -20.9513 -20.9513 -4.0441 -4.0441 -3.7919 -3.7919 -3.2892 -3.2892 -3.0087 -3.0087 -2.8429 -2.8429 -2.1424 -2.1424 -2.0738 -2.0738 4.4661 4.4661 5.3010 5.3010 5.8797 5.8797 7.6707 7.6707 7.8103 7.8103 9.0387 9.0387 9.2297 9.2297 9.9089 9.9089 11.4115 11.4115 13.9785 13.9785 14.3796 14.3796 14.6665 14.6665 k = 0.3333 0.5774-0.0000 ( 2853 PWs) bands (ev): -56.7008 -56.7008 -29.6579 -29.6483 -21.1101 -21.0565 -21.0056 -20.9880 -4.0259 -4.0182 -3.7690 -3.7686 -3.2735 -3.2571 -2.9789 -2.9789 -2.8879 -2.8872 -2.0267 -2.0204 -1.9693 -1.8281 5.4528 5.5012 5.5096 5.6498 5.6547 5.7184 6.2702 6.4044 7.4306 7.5062 7.5455 7.6656 10.6827 10.8100 10.8526 10.8712 11.1731 11.3866 12.0177 12.3925 12.9107 12.9110 14.1965 14.2585 k = 0.3333 0.5774 0.0109 ( 2859 PWs) bands (ev): -56.7008 -56.7008 -29.6580 -29.6483 -21.1101 -21.0565 -21.0056 -20.9881 -4.0259 -4.0183 -3.7690 -3.7686 -3.2734 -3.2570 -2.9790 -2.9789 -2.8879 -2.8872 -2.0378 -2.0224 -1.9584 -1.8260 5.4545 5.5019 5.5105 5.6502 5.6549 5.7179 6.2711 6.4054 7.4286 7.5000 7.5392 7.6638 10.6835 10.8185 10.8608 10.8721 11.1764 11.3900 12.0126 12.3860 12.9108 12.9111 14.2049 14.2664 k = 0.3333 0.5774 0.0217 ( 2859 PWs) bands (ev): -56.7008 -56.7008 -29.6580 -29.6483 -21.1101 -21.0565 -21.0056 -20.9881 -4.0257 -4.0182 -3.7690 -3.7686 -3.2729 -3.2569 -2.9790 -2.9789 -2.8879 -2.8872 -2.0599 -2.0282 -1.9364 -1.8202 5.4597 5.5041 5.5131 5.6514 5.6555 5.7165 6.2737 6.4085 7.4226 7.4820 7.5206 7.6585 10.6861 10.8438 10.8748 10.8850 11.1862 11.4001 11.9974 12.3670 12.9104 12.9121 14.2299 14.2897 k = 0.3333 0.5774 0.0326 ( 2844 PWs) bands (ev): -56.7008 -56.7008 -29.6579 -29.6482 -21.1101 -21.0564 -21.0055 -20.9879 -4.0253 -4.0181 -3.7690 -3.7686 -3.2722 -3.2566 -2.9789 -2.9789 -2.8879 -2.8872 -2.0849 -2.0369 -1.9119 -1.8112 5.4682 5.5077 5.5172 5.6532 5.6571 5.7145 6.2780 6.4136 7.4120 7.4535 7.4904 7.6498 10.6904 10.8794 10.8849 10.9244 11.2024 11.4168 11.9731 12.3368 12.9097 12.9135 14.2703 14.3276 k = 0.3333 0.5774 0.0435 ( 2844 PWs) bands (ev): -56.7008 -56.7008 -29.6579 -29.6482 -21.1101 -21.0564 -21.0055 -20.9879 -4.0249 -4.0180 -3.7690 -3.7686 -3.2713 -3.2563 -2.9789 -2.9789 -2.8879 -2.8872 -2.1104 -2.0478 -1.8869 -1.8001 5.4798 5.5129 5.5219 5.6554 5.6602 5.7121 6.2836 6.4204 7.3927 7.4200 7.4497 7.6379 10.6965 10.8858 10.9405 10.9776 11.2247 11.4395 11.9408 12.2973 12.9086 12.9146 14.3249 14.3788 k = 0.3333 0.5774 0.0543 ( 2844 PWs) bands (ev): -56.7008 -56.7008 -29.6579 -29.6482 -21.1101 -21.0564 -21.0055 -20.9879 -4.0244 -4.0179 -3.7690 -3.7686 -3.2701 -3.2559 -2.9789 -2.9789 -2.8880 -2.8872 -2.1357 -2.0601 -1.8623 -1.7875 5.4939 5.5203 5.5267 5.6574 5.6660 5.7101 6.2906 6.4287 7.3528 7.3950 7.3998 7.6232 10.7044 10.8941 11.0088 11.0428 11.2528 11.4677 11.9020 12.2505 12.9073 12.9153 14.3918 14.4417 k = 0.3333 0.5774 0.0652 ( 2850 PWs) bands (ev): -56.7008 -56.7008 -29.6579 -29.6482 -21.1101 -21.0565 -21.0055 -20.9880 -4.0238 -4.0178 -3.7690 -3.7686 -3.2687 -3.2555 -2.9790 -2.9789 -2.8880 -2.8872 -2.1605 -2.0731 -1.8384 -1.7741 5.5088 5.5304 5.5313 5.6584 5.6753 5.7091 6.2984 6.4382 7.2975 7.3424 7.3752 7.6062 10.7141 10.9043 11.0876 11.1175 11.2868 11.5009 11.8587 12.1982 12.9057 12.9153 14.4695 14.5144 k = 0.3333 0.5774 0.0761 ( 2868 PWs) bands (ev): -56.7008 -56.7008 -29.6581 -29.6484 -21.1102 -21.0566 -21.0056 -20.9881 -4.0231 -4.0176 -3.7691 -3.7686 -3.2672 -3.2550 -2.9790 -2.9790 -2.8880 -2.8873 -2.1845 -2.0863 -1.8154 -1.7604 5.5215 5.5325 5.5485 5.6579 5.6892 5.7101 6.3070 6.4485 7.2345 7.2788 7.3551 7.5874 10.7257 10.9163 11.1742 11.1983 11.3272 11.5382 11.8128 12.1422 12.9040 12.9145 14.5562 14.5943 k = 0.3333 0.5774 0.0869 ( 2865 PWs) bands (ev): -56.7008 -56.7008 -29.6580 -29.6484 -21.1102 -21.0566 -21.0056 -20.9880 -4.0224 -4.0175 -3.7691 -3.7686 -3.2654 -3.2545 -2.9790 -2.9789 -2.8880 -2.8873 -2.2074 -2.0995 -1.7935 -1.7468 5.5319 5.5326 5.5719 5.6556 5.7079 5.7132 6.3160 6.4594 7.1664 7.2108 7.3340 7.5672 10.7391 10.9301 11.2650 11.2792 11.3771 11.5787 11.7675 12.0840 12.9021 12.9128 14.6505 14.6774 k = 0.3333 0.5774 0.0978 ( 2871 PWs) bands (ev): -56.7009 -56.7008 -29.6581 -29.6484 -21.1103 -21.0566 -21.0056 -20.9881 -4.0216 -4.0173 -3.7691 -3.7686 -3.2636 -3.2539 -2.9791 -2.9789 -2.8880 -2.8873 -2.2291 -2.1122 -1.7730 -1.7336 5.5311 5.5415 5.5997 5.6518 5.7182 5.7314 6.3251 6.4703 7.0949 7.1396 7.3123 7.5462 10.7544 10.9457 11.3503 11.3537 11.4435 11.6215 11.7283 12.0249 12.9003 12.9102 14.7510 14.7542 k = 0.3333 0.5774 0.1087 ( 2853 PWs) bands (ev): -56.7008 -56.7008 -29.6580 -29.6483 -21.1102 -21.0565 -21.0055 -20.9880 -4.0208 -4.0171 -3.7691 -3.7686 -3.2617 -3.2533 -2.9790 -2.9789 -2.8880 -2.8872 -2.2493 -2.1242 -1.7539 -1.7211 5.5282 5.5508 5.6308 5.6470 5.7246 5.7593 6.3342 6.4809 7.0215 7.0669 7.2904 7.5250 10.7715 10.9628 11.4071 11.4266 11.5275 11.6656 11.7078 11.9661 12.8986 12.9070 14.7962 14.8565 k = 0.3333 0.5774 0.1195 ( 2847 PWs) bands (ev): -56.7008 -56.7008 -29.6579 -29.6482 -21.1101 -21.0565 -21.0055 -20.9879 -4.0200 -4.0170 -3.7690 -3.7686 -3.2598 -3.2527 -2.9790 -2.9789 -2.8880 -2.8872 -2.2679 -2.1355 -1.7365 -1.7094 5.5245 5.5598 5.6418 5.6645 5.7317 5.7909 6.3428 6.4907 6.9476 6.9940 7.2689 7.5042 10.7903 10.9814 11.4554 11.4592 11.6200 11.7096 11.7292 11.9087 12.8973 12.9030 14.7673 14.9658 k = 0.3333 0.5774 0.1304 ( 2841 PWs) bands (ev): -56.7008 -56.7007 -29.6579 -29.6482 -21.1101 -21.0565 -21.0054 -20.9879 -4.0193 -4.0168 -3.7690 -3.7686 -3.2579 -3.2521 -2.9791 -2.9788 -2.8880 -2.8872 -2.2848 -2.1457 -1.7208 -1.6987 5.5203 5.5686 5.6365 5.7003 5.7391 5.8257 6.3510 6.4992 6.8746 6.9224 7.2482 7.4843 10.8108 11.0011 11.4470 11.4992 11.7133 11.7522 11.7955 11.8540 12.8964 12.8986 14.6948 15.0140 k = 0.3333 0.5774 0.1413 ( 2841 PWs) bands (ev): -56.7008 -56.7007 -29.6579 -29.6482 -21.1101 -21.0565 -21.0054 -20.9879 -4.0186 -4.0166 -3.7691 -3.7686 -3.2562 -3.2516 -2.9791 -2.9788 -2.8880 -2.8872 -2.2998 -2.1548 -1.7070 -1.6892 5.5162 5.5767 5.6315 5.7374 5.7463 5.8628 6.3583 6.5056 6.8040 6.8539 7.2291 7.4659 10.8326 11.0214 11.4131 11.5394 11.7842 11.8029 11.8107 11.8821 12.8938 12.8962 14.6111 14.9387 k = 0.3333 0.5774 0.1521 ( 2841 PWs) bands (ev): -56.7008 -56.7007 -29.6579 -29.6482 -21.1101 -21.0565 -21.0054 -20.9879 -4.0179 -4.0165 -3.7691 -3.7686 -3.2546 -3.2511 -2.9791 -2.9788 -2.8880 -2.8872 -2.3127 -2.1627 -1.6951 -1.6809 5.5122 5.5842 5.6269 5.7531 5.7747 5.9012 6.3648 6.5090 6.7373 6.7905 7.2119 7.4494 10.8553 11.0417 11.3726 11.5755 11.7497 11.8347 11.8853 11.9716 12.8889 12.8968 14.5280 14.8686 k = 0.3333 0.5774 0.1630 ( 2835 PWs) bands (ev): -56.7008 -56.7007 -29.6578 -29.6482 -21.1101 -21.0565 -21.0054 -20.9878 -4.0174 -4.0164 -3.7690 -3.7685 -3.2532 -3.2507 -2.9791 -2.9788 -2.8880 -2.8872 -2.3234 -2.1692 -1.6853 -1.6741 5.5087 5.5906 5.6230 5.7590 5.8108 5.9395 6.3703 6.5081 6.6766 6.7353 7.1971 7.4352 10.8784 11.0613 11.3321 11.6067 11.7079 11.8667 11.9577 12.0553 12.8842 12.8982 14.4512 14.8061 k = 0.3333 0.5774 0.1739 ( 2829 PWs) bands (ev): -56.7008 -56.7007 -29.6578 -29.6481 -21.1101 -21.0564 -21.0053 -20.9878 -4.0170 -4.0163 -3.7690 -3.7685 -3.2521 -3.2504 -2.9791 -2.9788 -2.8879 -2.8872 -2.3319 -2.1744 -1.6775 -1.6686 5.5059 5.5959 5.6199 5.7640 5.8436 5.9755 6.3746 6.5017 6.6242 6.6917 7.1852 7.4238 10.9004 11.0789 11.2951 11.6321 11.6723 11.8936 12.0171 12.1276 12.8801 12.9003 14.3853 14.7536 k = 0.3333 0.5774 0.1847 ( 2835 PWs) bands (ev): -56.7008 -56.7007 -29.6578 -29.6482 -21.1101 -21.0564 -21.0054 -20.9878 -4.0167 -4.0162 -3.7690 -3.7685 -3.2512 -3.2501 -2.9791 -2.9788 -2.8879 -2.8872 -2.3380 -2.1781 -1.6720 -1.6647 5.5037 5.5998 5.6176 5.7677 5.8706 6.0062 6.3777 6.4905 6.5830 6.6621 7.1764 7.4154 10.9196 11.0931 11.2647 11.6450 11.6510 11.9137 12.0613 12.1834 12.8768 12.9024 14.3343 14.7137 k = 0.3333 0.5774 0.1956 ( 2838 PWs) bands (ev): -56.7008 -56.7007 -29.6579 -29.6482 -21.1101 -21.0564 -21.0054 -20.9879 -4.0165 -4.0162 -3.7690 -3.7685 -3.2507 -3.2500 -2.9791 -2.9788 -2.8879 -2.8872 -2.3417 -2.1804 -1.6686 -1.6624 5.5024 5.6022 5.6162 5.7700 5.8886 6.0275 6.3796 6.4791 6.5564 6.6462 7.1711 7.4103 10.9331 11.1024 11.2442 11.6277 11.6626 11.9261 12.0886 12.2189 12.8747 12.9040 14.3020 14.6887 k = 0.3333 0.5774 0.2065 ( 2838 PWs) bands (ev): -56.7008 -56.7007 -29.6579 -29.6482 -21.1101 -21.0564 -21.0055 -20.9879 -4.0164 -4.0162 -3.7690 -3.7685 -3.2506 -3.2499 -2.9791 -2.9788 -2.8879 -2.8872 -2.3430 -2.1811 -1.6675 -1.6616 5.5020 5.6030 5.6157 5.7707 5.8950 6.0352 6.3803 6.4743 6.5472 6.6413 7.1692 7.4085 10.9380 11.1057 11.2369 11.6218 11.6665 11.9303 12.0978 12.2310 12.8740 12.9046 14.2909 14.6801 Writing output data file TaInSe2.save init_run : 3.88s CPU 13.93s WALL ( 1 calls) electrons : 359.05s CPU 364.71s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.48s CPU 1.49s WALL ( 1 calls) Called by electrons: c_bands : 359.00s CPU 364.43s WALL ( 1 calls) v_of_rho : 0.29s CPU 0.97s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.28s CPU 0.55s WALL ( 1 calls) newd : 0.53s CPU 0.63s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.08s WALL ( 356 calls) cegterg : 328.33s CPU 330.83s WALL ( 519 calls) Called by sum_band: Called by *egterg: h_psi : 144.19s CPU 149.24s WALL ( 8201 calls) s_psi : 11.40s CPU 11.96s WALL ( 8201 calls) g_psi : 0.39s CPU 0.48s WALL ( 7326 calls) cdiaghg : 124.37s CPU 122.88s WALL ( 7682 calls) cegterg:over : 34.29s CPU 31.95s WALL ( 7326 calls) cegterg:upda : 5.30s CPU 7.51s WALL ( 7326 calls) cegterg:last : 5.49s CPU 6.16s WALL ( 1612 calls) Called by h_psi: h_psi:vloc : 120.83s CPU 124.88s WALL ( 8201 calls) h_psi:vnl : 23.21s CPU 23.97s WALL ( 8201 calls) add_vuspsi : 6.44s CPU 9.17s WALL ( 8201 calls) General routines calbec : 16.75s CPU 14.73s WALL ( 8201 calls) fft : 0.76s CPU 1.81s WALL ( 19 calls) ffts : 0.02s CPU 0.02s WALL ( 4 calls) fftw : 116.10s CPU 119.23s WALL ( 931288 calls) interpolate : 0.03s CPU 0.04s WALL ( 4 calls) davcio : 0.04s CPU 1.08s WALL ( 712 calls) Parallel routines fft_scatter : 79.96s CPU 80.51s WALL ( 931311 calls) PWSCF : 6m47.45s CPU 8m 0.90s WALL This run was terminated on: 15: 4:11 9Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=