Program PWSCF v.5.3.0 (svn rev. 11974) starts on 27Jan2017 at 19:17:33 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./KAlTe2.save/ file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 91 53 15 3785 1701 256 Max 92 54 16 3789 1734 259 Sum 3299 1939 553 136305 61741 9261 bravais-lattice index = 14 lattice parameter (alat) = 13.3239 a.u. unit-cell volume = 1741.3586 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 278.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.323905 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.226423 celldm(5)= -0.226423 celldm(6)= -0.547155 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.547155 0.837031 0.000000 ) a(3) = ( -0.226423 -0.418516 0.879533 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.653685 0.568484 ) b(2) = ( 0.000000 1.194698 0.568484 ) b(3) = ( 0.000000 0.000000 1.136968 ) PseudoPot. # 1 for K read from file: /users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 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 Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 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 K 9.00 39.09830 K( 1.00) Te 6.00 127.60000 Te( 1.00) Al 3.00 26.98150 Al( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 1 1 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.2264225 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.4185157 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( -1 -1 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) f =( 0.2264225 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.4185157 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 239 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041841 k( 2) = ( 0.0000000 0.0000000 0.0218648), wk = 0.0041841 k( 3) = ( 0.0000000 0.0000000 0.0437295), wk = 0.0041841 k( 4) = ( 0.0000000 0.0000000 0.0655943), wk = 0.0041841 k( 5) = ( 0.0000000 0.0000000 0.0874591), wk = 0.0041841 k( 6) = ( 0.0000000 0.0000000 0.1093238), wk = 0.0041841 k( 7) = ( 0.0000000 0.0000000 0.1311886), wk = 0.0041841 k( 8) = ( 0.0000000 0.0000000 0.1530533), wk = 0.0041841 k( 9) = ( 0.0000000 0.0000000 0.1749181), wk = 0.0041841 k( 10) = ( 0.0000000 0.0000000 0.1967829), wk = 0.0041841 k( 11) = ( 0.0000000 0.0000000 0.2186476), wk = 0.0041841 k( 12) = ( 0.0000000 0.0000000 0.2405124), wk = 0.0041841 k( 13) = ( 0.0000000 0.0000000 0.2623771), wk = 0.0041841 k( 14) = ( 0.0000000 0.0000000 0.2842419), wk = 0.0041841 k( 15) = ( 0.0000000 0.0000000 0.3061067), wk = 0.0041841 k( 16) = ( 0.0000000 0.0000000 0.3279714), wk = 0.0041841 k( 17) = ( 0.0000000 0.0000000 0.3498362), wk = 0.0041841 k( 18) = ( 0.0000000 0.0000000 0.3717010), wk = 0.0041841 k( 19) = ( 0.0000000 0.0000000 0.3935657), wk = 0.0041841 k( 20) = ( 0.0000000 0.0000000 0.4154305), wk = 0.0041841 k( 21) = ( 0.0000000 0.0000000 0.4372952), wk = 0.0041841 k( 22) = ( 0.0000000 0.0000000 0.4591600), wk = 0.0041841 k( 23) = ( 0.0000000 0.0000000 0.4810248), wk = 0.0041841 k( 24) = ( 0.0000000 0.0000000 0.5028895), wk = 0.0041841 k( 25) = ( 0.0000000 0.0000000 0.5247543), wk = 0.0041841 k( 26) = ( 0.0000000 0.0000000 0.5466190), wk = 0.0041841 k( 27) = ( 0.0000000 0.0000000 0.5684838), wk = 0.0041841 k( 28) = ( 0.0000000 0.0000000 0.5684838), wk = 0.0041841 k( 29) = ( -0.0192308 0.0104041 0.5684838), wk = 0.0041841 k( 30) = ( -0.0384615 0.0208082 0.5684838), wk = 0.0041841 k( 31) = ( -0.0576923 0.0312123 0.5684838), wk = 0.0041841 k( 32) = ( -0.0769231 0.0416164 0.5684838), wk = 0.0041841 k( 33) = ( -0.0961538 0.0520205 0.5684838), wk = 0.0041841 k( 34) = ( -0.1153846 0.0624246 0.5684838), wk = 0.0041841 k( 35) = ( -0.1346154 0.0728287 0.5684838), wk = 0.0041841 k( 36) = ( -0.1538461 0.0832328 0.5684838), wk = 0.0041841 k( 37) = ( -0.1730769 0.0936369 0.5684838), wk = 0.0041841 k( 38) = ( -0.1923077 0.1040410 0.5684838), wk = 0.0041841 k( 39) = ( -0.2115385 0.1144451 0.5684838), wk = 0.0041841 k( 40) = ( -0.2307692 0.1248492 0.5684838), wk = 0.0041841 k( 41) = ( -0.2500000 0.1352533 0.5684838), wk = 0.0041841 k( 42) = ( -0.2692308 0.1456574 0.5684838), wk = 0.0041841 k( 43) = ( -0.2884615 0.1560615 0.5684838), wk = 0.0041841 k( 44) = ( -0.3076923 0.1664656 0.5684838), wk = 0.0041841 k( 45) = ( -0.3269231 0.1768697 0.5684838), wk = 0.0041841 k( 46) = ( -0.3461538 0.1872738 0.5684838), wk = 0.0041841 k( 47) = ( -0.3653846 0.1976779 0.5684838), wk = 0.0041841 k( 48) = ( -0.3846154 0.2080820 0.5684838), wk = 0.0041841 k( 49) = ( -0.4038462 0.2184861 0.5684838), wk = 0.0041841 k( 50) = ( -0.4230769 0.2288902 0.5684838), wk = 0.0041841 k( 51) = ( -0.4423077 0.2392943 0.5684838), wk = 0.0041841 k( 52) = ( -0.4615385 0.2496984 0.5684838), wk = 0.0041841 k( 53) = ( -0.4807692 0.2601025 0.5684838), wk = 0.0041841 k( 54) = ( -0.5000000 0.2705066 0.5684838), wk = 0.0041841 k( 55) = ( -0.5000000 0.2705066 0.5684838), wk = 0.0041841 k( 56) = ( -0.4861111 0.2629926 0.5526926), wk = 0.0041841 k( 57) = ( -0.4722222 0.2554785 0.5369014), wk = 0.0041841 k( 58) = ( -0.4583333 0.2479644 0.5211102), wk = 0.0041841 k( 59) = ( -0.4444444 0.2404503 0.5053189), wk = 0.0041841 k( 60) = ( -0.4305556 0.2329363 0.4895277), wk = 0.0041841 k( 61) = ( -0.4166667 0.2254222 0.4737365), wk = 0.0041841 k( 62) = ( -0.4027778 0.2179081 0.4579453), wk = 0.0041841 k( 63) = ( -0.3888889 0.2103941 0.4421541), wk = 0.0041841 k( 64) = ( -0.3750000 0.2028800 0.4263629), wk = 0.0041841 k( 65) = ( -0.3611111 0.1953659 0.4105716), wk = 0.0041841 k( 66) = ( -0.3472222 0.1878518 0.3947804), wk = 0.0041841 k( 67) = ( -0.3333333 0.1803378 0.3789892), wk = 0.0041841 k( 68) = ( -0.3194444 0.1728237 0.3631980), wk = 0.0041841 k( 69) = ( -0.3055556 0.1653096 0.3474068), wk = 0.0041841 k( 70) = ( -0.2916667 0.1577955 0.3316156), wk = 0.0041841 k( 71) = ( -0.2777778 0.1502815 0.3158243), wk = 0.0041841 k( 72) = ( -0.2638889 0.1427674 0.3000331), wk = 0.0041841 k( 73) = ( -0.2500000 0.1352533 0.2842419), wk = 0.0041841 k( 74) = ( -0.2361111 0.1277392 0.2684507), wk = 0.0041841 k( 75) = ( -0.2222222 0.1202252 0.2526595), wk = 0.0041841 k( 76) = ( -0.2083333 0.1127111 0.2368683), wk = 0.0041841 k( 77) = ( -0.1944444 0.1051970 0.2210770), wk = 0.0041841 k( 78) = ( -0.1805556 0.0976830 0.2052858), wk = 0.0041841 k( 79) = ( -0.1666667 0.0901689 0.1894946), wk = 0.0041841 k( 80) = ( -0.1527778 0.0826548 0.1737034), wk = 0.0041841 k( 81) = ( -0.1388889 0.0751407 0.1579122), wk = 0.0041841 k( 82) = ( -0.1250000 0.0676267 0.1421210), wk = 0.0041841 k( 83) = ( -0.1111111 0.0601126 0.1263297), wk = 0.0041841 k( 84) = ( -0.0972222 0.0525985 0.1105385), wk = 0.0041841 k( 85) = ( -0.0833333 0.0450844 0.0947473), wk = 0.0041841 k( 86) = ( -0.0694444 0.0375704 0.0789561), wk = 0.0041841 k( 87) = ( -0.0555556 0.0300563 0.0631649), wk = 0.0041841 k( 88) = ( -0.0416667 0.0225422 0.0473737), wk = 0.0041841 k( 89) = ( -0.0277778 0.0150281 0.0315824), wk = 0.0041841 k( 90) = ( -0.0138889 0.0075141 0.0157912), wk = 0.0041841 k( 91) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041841 k( 92) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041841 k( 93) = ( 0.0104302 0.0192790 -0.0000000), wk = 0.0041841 k( 94) = ( 0.0208604 0.0385580 -0.0000000), wk = 0.0041841 k( 95) = ( 0.0312906 0.0578370 -0.0000000), wk = 0.0041841 k( 96) = ( 0.0417208 0.0771161 -0.0000000), wk = 0.0041841 k( 97) = ( 0.0521510 0.0963951 -0.0000000), wk = 0.0041841 k( 98) = ( 0.0625812 0.1156741 -0.0000000), wk = 0.0041841 k( 99) = ( 0.0730114 0.1349531 -0.0000000), wk = 0.0041841 k( 100) = ( 0.0834416 0.1542321 -0.0000000), wk = 0.0041841 k( 101) = ( 0.0938718 0.1735111 -0.0000000), wk = 0.0041841 k( 102) = ( 0.1043020 0.1927901 -0.0000000), wk = 0.0041841 k( 103) = ( 0.1147322 0.2120692 -0.0000000), wk = 0.0041841 k( 104) = ( 0.1251624 0.2313482 -0.0000000), wk = 0.0041841 k( 105) = ( 0.1355926 0.2506272 -0.0000000), wk = 0.0041841 k( 106) = ( 0.1460228 0.2699062 -0.0000000), wk = 0.0041841 k( 107) = ( 0.1564530 0.2891852 -0.0000000), wk = 0.0041841 k( 108) = ( 0.1668832 0.3084642 -0.0000000), wk = 0.0041841 k( 109) = ( 0.1773134 0.3277432 -0.0000000), wk = 0.0041841 k( 110) = ( 0.1877436 0.3470222 -0.0000000), wk = 0.0041841 k( 111) = ( 0.1981738 0.3663012 -0.0000000), wk = 0.0041841 k( 112) = ( 0.2086041 0.3855803 -0.0000000), wk = 0.0041841 k( 113) = ( 0.2190343 0.4048593 -0.0000000), wk = 0.0041841 k( 114) = ( 0.2294644 0.4241383 -0.0000000), wk = 0.0041841 k( 115) = ( 0.2398946 0.4434173 -0.0000000), wk = 0.0041841 k( 116) = ( 0.2503248 0.4626963 -0.0000000), wk = 0.0041841 k( 117) = ( 0.2607551 0.4819753 -0.0000000), wk = 0.0041841 k( 118) = ( 0.2711853 0.5012543 -0.0000000), wk = 0.0041841 k( 119) = ( 0.2816155 0.5205334 -0.0000000), wk = 0.0041841 k( 120) = ( 0.2920457 0.5398124 -0.0000000), wk = 0.0041841 k( 121) = ( 0.3024759 0.5590914 -0.0000000), wk = 0.0041841 k( 122) = ( 0.3129061 0.5783704 -0.0000000), wk = 0.0041841 k( 123) = ( 0.3233363 0.5976494 -0.0000000), wk = 0.0041841 k( 124) = ( 0.3337665 0.6169284 -0.0000000), wk = 0.0041841 k( 125) = ( 0.3441967 0.6362074 -0.0000000), wk = 0.0041841 k( 126) = ( 0.3546269 0.6554865 -0.0000000), wk = 0.0041841 k( 127) = ( 0.3650571 0.6747655 -0.0000000), wk = 0.0041841 k( 128) = ( 0.3754873 0.6940445 -0.0000000), wk = 0.0041841 k( 129) = ( 0.3859175 0.7133235 -0.0000000), wk = 0.0041841 k( 130) = ( 0.3963477 0.7326025 -0.0000000), wk = 0.0041841 k( 131) = ( 0.3963477 0.7326025 -0.0000000), wk = 0.0041841 k( 132) = ( 0.3913012 0.7232747 0.0196029), wk = 0.0041841 k( 133) = ( 0.3862547 0.7139469 0.0392058), wk = 0.0041841 k( 134) = ( 0.3812083 0.7046191 0.0588087), wk = 0.0041841 k( 135) = ( 0.3761618 0.6952912 0.0784116), wk = 0.0041841 k( 136) = ( 0.3711153 0.6859634 0.0980145), wk = 0.0041841 k( 137) = ( 0.3660689 0.6766356 0.1176173), wk = 0.0041841 k( 138) = ( 0.3610224 0.6673078 0.1372202), wk = 0.0041841 k( 139) = ( 0.3559759 0.6579800 0.1568231), wk = 0.0041841 k( 140) = ( 0.3509294 0.6486522 0.1764260), wk = 0.0041841 k( 141) = ( 0.3458830 0.6393244 0.1960289), wk = 0.0041841 k( 142) = ( 0.3408365 0.6299965 0.2156318), wk = 0.0041841 k( 143) = ( 0.3357900 0.6206687 0.2352347), wk = 0.0041841 k( 144) = ( 0.3307435 0.6113409 0.2548376), wk = 0.0041841 k( 145) = ( 0.3256971 0.6020131 0.2744405), wk = 0.0041841 k( 146) = ( 0.3206506 0.5926853 0.2940434), wk = 0.0041841 k( 147) = ( 0.3156041 0.5833575 0.3136462), wk = 0.0041841 k( 148) = ( 0.3105577 0.5740296 0.3332491), wk = 0.0041841 k( 149) = ( 0.3055112 0.5647018 0.3528520), wk = 0.0041841 k( 150) = ( 0.3004647 0.5553740 0.3724549), wk = 0.0041841 k( 151) = ( 0.2954182 0.5460462 0.3920578), wk = 0.0041841 k( 152) = ( 0.2903718 0.5367184 0.4116607), wk = 0.0041841 k( 153) = ( 0.2853253 0.5273906 0.4312636), wk = 0.0041841 k( 154) = ( 0.2802788 0.5180628 0.4508665), wk = 0.0041841 k( 155) = ( 0.2752324 0.5087349 0.4704694), wk = 0.0041841 k( 156) = ( 0.2701859 0.4994071 0.4900722), wk = 0.0041841 k( 157) = ( 0.2651394 0.4900793 0.5096751), wk = 0.0041841 k( 158) = ( 0.2600929 0.4807515 0.5292780), wk = 0.0041841 k( 159) = ( 0.2550465 0.4714237 0.5488809), wk = 0.0041841 k( 160) = ( 0.2500000 0.4620959 0.5684838), wk = 0.0041841 k( 161) = ( 0.2500000 0.4620959 0.5684838), wk = 0.0041841 k( 162) = ( 0.2361111 0.4696099 0.5526926), wk = 0.0041841 k( 163) = ( 0.2222222 0.4771240 0.5369014), wk = 0.0041841 k( 164) = ( 0.2083333 0.4846381 0.5211102), wk = 0.0041841 k( 165) = ( 0.1944444 0.4921522 0.5053189), wk = 0.0041841 k( 166) = ( 0.1805556 0.4996662 0.4895277), wk = 0.0041841 k( 167) = ( 0.1666667 0.5071803 0.4737365), wk = 0.0041841 k( 168) = ( 0.1527778 0.5146944 0.4579453), wk = 0.0041841 k( 169) = ( 0.1388889 0.5222084 0.4421541), wk = 0.0041841 k( 170) = ( 0.1250000 0.5297225 0.4263629), wk = 0.0041841 k( 171) = ( 0.1111111 0.5372366 0.4105716), wk = 0.0041841 k( 172) = ( 0.0972222 0.5447507 0.3947804), wk = 0.0041841 k( 173) = ( 0.0833333 0.5522647 0.3789892), wk = 0.0041841 k( 174) = ( 0.0694444 0.5597788 0.3631980), wk = 0.0041841 k( 175) = ( 0.0555556 0.5672929 0.3474068), wk = 0.0041841 k( 176) = ( 0.0416667 0.5748070 0.3316156), wk = 0.0041841 k( 177) = ( 0.0277778 0.5823210 0.3158243), wk = 0.0041841 k( 178) = ( 0.0138889 0.5898351 0.3000331), wk = 0.0041841 k( 179) = ( 0.0000000 0.5973492 0.2842419), wk = 0.0041841 k( 180) = ( 0.0000000 0.5973492 0.2842419), wk = 0.0041841 k( 181) = ( -0.0172325 0.5914686 0.2966002), wk = 0.0041841 k( 182) = ( -0.0344650 0.5855880 0.3089586), wk = 0.0041841 k( 183) = ( -0.0516975 0.5797075 0.3213169), wk = 0.0041841 k( 184) = ( -0.0689300 0.5738269 0.3336753), wk = 0.0041841 k( 185) = ( -0.0861625 0.5679463 0.3460336), wk = 0.0041841 k( 186) = ( -0.1033951 0.5620657 0.3583920), wk = 0.0041841 k( 187) = ( -0.1206276 0.5561851 0.3707503), wk = 0.0041841 k( 188) = ( -0.1378601 0.5503046 0.3831087), wk = 0.0041841 k( 189) = ( -0.1550926 0.5444240 0.3954670), wk = 0.0041841 k( 190) = ( -0.1723251 0.5385434 0.4078253), wk = 0.0041841 k( 191) = ( -0.1895576 0.5326628 0.4201837), wk = 0.0041841 k( 192) = ( -0.2067901 0.5267822 0.4325420), wk = 0.0041841 k( 193) = ( -0.2240226 0.5209017 0.4449004), wk = 0.0041841 k( 194) = ( -0.2412551 0.5150211 0.4572587), wk = 0.0041841 k( 195) = ( -0.2584876 0.5091405 0.4696171), wk = 0.0041841 k( 196) = ( -0.2757201 0.5032599 0.4819754), wk = 0.0041841 k( 197) = ( -0.2929526 0.4973793 0.4943338), wk = 0.0041841 k( 198) = ( -0.3101852 0.4914988 0.5066921), wk = 0.0041841 k( 199) = ( -0.3274177 0.4856182 0.5190504), wk = 0.0041841 k( 200) = ( -0.3446502 0.4797376 0.5314088), wk = 0.0041841 k( 201) = ( -0.3618827 0.4738570 0.5437671), wk = 0.0041841 k( 202) = ( -0.3791152 0.4679764 0.5561255), wk = 0.0041841 k( 203) = ( -0.3963477 0.4620959 0.5684838), wk = 0.0041841 k( 204) = ( -0.3963477 0.4620959 0.5684838), wk = 0.0041841 k( 205) = ( -0.4067129 0.4429369 0.5684838), wk = 0.0041841 k( 206) = ( -0.4170781 0.4237780 0.5684838), wk = 0.0041841 k( 207) = ( -0.4274434 0.4046191 0.5684838), wk = 0.0041841 k( 208) = ( -0.4378086 0.3854602 0.5684838), wk = 0.0041841 k( 209) = ( -0.4481738 0.3663013 0.5684838), wk = 0.0041841 k( 210) = ( -0.4585391 0.3471423 0.5684838), wk = 0.0041841 k( 211) = ( -0.4689043 0.3279834 0.5684838), wk = 0.0041841 k( 212) = ( -0.4792695 0.3088245 0.5684838), wk = 0.0041841 k( 213) = ( -0.4896348 0.2896656 0.5684838), wk = 0.0041841 k( 214) = ( -0.5000000 0.2705066 0.5684838), wk = 0.0041841 k( 215) = ( 0.0000000 0.0000000 0.5684838), wk = 0.0041841 k( 216) = ( 0.0104167 0.0192540 0.5684838), wk = 0.0041841 k( 217) = ( 0.0208333 0.0385080 0.5684838), wk = 0.0041841 k( 218) = ( 0.0312500 0.0577620 0.5684838), wk = 0.0041841 k( 219) = ( 0.0416667 0.0770160 0.5684838), wk = 0.0041841 k( 220) = ( 0.0520833 0.0962700 0.5684838), wk = 0.0041841 k( 221) = ( 0.0625000 0.1155240 0.5684838), wk = 0.0041841 k( 222) = ( 0.0729167 0.1347780 0.5684838), wk = 0.0041841 k( 223) = ( 0.0833333 0.1540319 0.5684838), wk = 0.0041841 k( 224) = ( 0.0937500 0.1732859 0.5684838), wk = 0.0041841 k( 225) = ( 0.1041667 0.1925399 0.5684838), wk = 0.0041841 k( 226) = ( 0.1145833 0.2117939 0.5684838), wk = 0.0041841 k( 227) = ( 0.1250000 0.2310479 0.5684838), wk = 0.0041841 k( 228) = ( 0.1354167 0.2503019 0.5684838), wk = 0.0041841 k( 229) = ( 0.1458333 0.2695559 0.5684838), wk = 0.0041841 k( 230) = ( 0.1562500 0.2888099 0.5684838), wk = 0.0041841 k( 231) = ( 0.1666667 0.3080639 0.5684838), wk = 0.0041841 k( 232) = ( 0.1770833 0.3273179 0.5684838), wk = 0.0041841 k( 233) = ( 0.1875000 0.3465719 0.5684838), wk = 0.0041841 k( 234) = ( 0.1979167 0.3658259 0.5684838), wk = 0.0041841 k( 235) = ( 0.2083333 0.3850799 0.5684838), wk = 0.0041841 k( 236) = ( 0.2187500 0.4043339 0.5684838), wk = 0.0041841 k( 237) = ( 0.2291667 0.4235879 0.5684838), wk = 0.0041841 k( 238) = ( 0.2395833 0.4428419 0.5684838), wk = 0.0041841 k( 239) = ( 0.2500000 0.4620959 0.5684838), wk = 0.0041841 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041841 k( 2) = ( 0.0000000 0.0000000 0.0192308), wk = 0.0041841 k( 3) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0041841 k( 4) = ( 0.0000000 0.0000000 0.0576923), wk = 0.0041841 k( 5) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0041841 k( 6) = ( 0.0000000 0.0000000 0.0961539), wk = 0.0041841 k( 7) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0041841 k( 8) = ( 0.0000000 0.0000000 0.1346154), wk = 0.0041841 k( 9) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0041841 k( 10) = ( 0.0000000 0.0000000 0.1730769), wk = 0.0041841 k( 11) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0041841 k( 12) = ( 0.0000000 0.0000000 0.2115385), wk = 0.0041841 k( 13) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0041841 k( 14) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0041841 k( 15) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0041841 k( 16) = ( 0.0000000 0.0000000 0.2884615), wk = 0.0041841 k( 17) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0041841 k( 18) = ( 0.0000000 0.0000000 0.3269231), wk = 0.0041841 k( 19) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0041841 k( 20) = ( 0.0000000 0.0000000 0.3653846), wk = 0.0041841 k( 21) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0041841 k( 22) = ( 0.0000000 0.0000000 0.4038462), wk = 0.0041841 k( 23) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0041841 k( 24) = ( 0.0000000 0.0000000 0.4423077), wk = 0.0041841 k( 25) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0041841 k( 26) = ( 0.0000000 0.0000000 0.4807692), wk = 0.0041841 k( 27) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0041841 k( 28) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0041841 k( 29) = ( -0.0192308 0.0192308 0.5000000), wk = 0.0041841 k( 30) = ( -0.0384615 0.0384615 0.5000000), wk = 0.0041841 k( 31) = ( -0.0576923 0.0576923 0.5000000), wk = 0.0041841 k( 32) = ( -0.0769231 0.0769231 0.5000000), wk = 0.0041841 k( 33) = ( -0.0961538 0.0961538 0.5000000), wk = 0.0041841 k( 34) = ( -0.1153846 0.1153846 0.5000000), wk = 0.0041841 k( 35) = ( -0.1346154 0.1346154 0.5000000), wk = 0.0041841 k( 36) = ( -0.1538461 0.1538461 0.5000000), wk = 0.0041841 k( 37) = ( -0.1730769 0.1730769 0.5000000), wk = 0.0041841 k( 38) = ( -0.1923077 0.1923077 0.5000000), wk = 0.0041841 k( 39) = ( -0.2115385 0.2115385 0.5000000), wk = 0.0041841 k( 40) = ( -0.2307692 0.2307692 0.5000000), wk = 0.0041841 k( 41) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0041841 k( 42) = ( -0.2692308 0.2692308 0.5000000), wk = 0.0041841 k( 43) = ( -0.2884615 0.2884615 0.5000000), wk = 0.0041841 k( 44) = ( -0.3076923 0.3076923 0.5000000), wk = 0.0041841 k( 45) = ( -0.3269231 0.3269231 0.5000000), wk = 0.0041841 k( 46) = ( -0.3461538 0.3461538 0.5000000), wk = 0.0041841 k( 47) = ( -0.3653846 0.3653846 0.5000000), wk = 0.0041841 k( 48) = ( -0.3846154 0.3846154 0.5000000), wk = 0.0041841 k( 49) = ( -0.4038462 0.4038461 0.5000000), wk = 0.0041841 k( 50) = ( -0.4230769 0.4230769 0.5000000), wk = 0.0041841 k( 51) = ( -0.4423077 0.4423077 0.5000000), wk = 0.0041841 k( 52) = ( -0.4615385 0.4615385 0.5000000), wk = 0.0041841 k( 53) = ( -0.4807692 0.4807692 0.5000000), wk = 0.0041841 k( 54) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0041841 k( 55) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0041841 k( 56) = ( -0.4861111 0.4861111 0.4861111), wk = 0.0041841 k( 57) = ( -0.4722222 0.4722222 0.4722222), wk = 0.0041841 k( 58) = ( -0.4583333 0.4583333 0.4583333), wk = 0.0041841 k( 59) = ( -0.4444444 0.4444444 0.4444444), wk = 0.0041841 k( 60) = ( -0.4305556 0.4305556 0.4305556), wk = 0.0041841 k( 61) = ( -0.4166667 0.4166667 0.4166667), wk = 0.0041841 k( 62) = ( -0.4027778 0.4027778 0.4027778), wk = 0.0041841 k( 63) = ( -0.3888889 0.3888889 0.3888889), wk = 0.0041841 k( 64) = ( -0.3750000 0.3750000 0.3750000), wk = 0.0041841 k( 65) = ( -0.3611111 0.3611111 0.3611111), wk = 0.0041841 k( 66) = ( -0.3472222 0.3472222 0.3472222), wk = 0.0041841 k( 67) = ( -0.3333333 0.3333333 0.3333333), wk = 0.0041841 k( 68) = ( -0.3194444 0.3194444 0.3194444), wk = 0.0041841 k( 69) = ( -0.3055556 0.3055556 0.3055556), wk = 0.0041841 k( 70) = ( -0.2916667 0.2916667 0.2916667), wk = 0.0041841 k( 71) = ( -0.2777778 0.2777778 0.2777778), wk = 0.0041841 k( 72) = ( -0.2638889 0.2638889 0.2638889), wk = 0.0041841 k( 73) = ( -0.2500000 0.2500000 0.2500000), wk = 0.0041841 k( 74) = ( -0.2361111 0.2361111 0.2361111), wk = 0.0041841 k( 75) = ( -0.2222222 0.2222222 0.2222222), wk = 0.0041841 k( 76) = ( -0.2083333 0.2083333 0.2083333), wk = 0.0041841 k( 77) = ( -0.1944444 0.1944444 0.1944444), wk = 0.0041841 k( 78) = ( -0.1805556 0.1805556 0.1805556), wk = 0.0041841 k( 79) = ( -0.1666667 0.1666667 0.1666667), wk = 0.0041841 k( 80) = ( -0.1527778 0.1527778 0.1527778), wk = 0.0041841 k( 81) = ( -0.1388889 0.1388889 0.1388889), wk = 0.0041841 k( 82) = ( -0.1250000 0.1250000 0.1250000), wk = 0.0041841 k( 83) = ( -0.1111111 0.1111111 0.1111111), wk = 0.0041841 k( 84) = ( -0.0972222 0.0972222 0.0972222), wk = 0.0041841 k( 85) = ( -0.0833333 0.0833333 0.0833333), wk = 0.0041841 k( 86) = ( -0.0694444 0.0694444 0.0694444), wk = 0.0041841 k( 87) = ( -0.0555556 0.0555556 0.0555556), wk = 0.0041841 k( 88) = ( -0.0416667 0.0416667 0.0416667), wk = 0.0041841 k( 89) = ( -0.0277778 0.0277778 0.0277778), wk = 0.0041841 k( 90) = ( -0.0138889 0.0138889 0.0138889), wk = 0.0041841 k( 91) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041841 k( 92) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041841 k( 93) = ( 0.0104302 0.0104302 -0.0104302), wk = 0.0041841 k( 94) = ( 0.0208604 0.0208604 -0.0208604), wk = 0.0041841 k( 95) = ( 0.0312906 0.0312906 -0.0312906), wk = 0.0041841 k( 96) = ( 0.0417208 0.0417208 -0.0417208), wk = 0.0041841 k( 97) = ( 0.0521510 0.0521510 -0.0521510), wk = 0.0041841 k( 98) = ( 0.0625812 0.0625812 -0.0625812), wk = 0.0041841 k( 99) = ( 0.0730114 0.0730114 -0.0730114), wk = 0.0041841 k( 100) = ( 0.0834416 0.0834416 -0.0834416), wk = 0.0041841 k( 101) = ( 0.0938718 0.0938718 -0.0938718), wk = 0.0041841 k( 102) = ( 0.1043020 0.1043020 -0.1043020), wk = 0.0041841 k( 103) = ( 0.1147322 0.1147322 -0.1147322), wk = 0.0041841 k( 104) = ( 0.1251624 0.1251624 -0.1251624), wk = 0.0041841 k( 105) = ( 0.1355926 0.1355926 -0.1355926), wk = 0.0041841 k( 106) = ( 0.1460228 0.1460228 -0.1460228), wk = 0.0041841 k( 107) = ( 0.1564530 0.1564530 -0.1564530), wk = 0.0041841 k( 108) = ( 0.1668832 0.1668832 -0.1668832), wk = 0.0041841 k( 109) = ( 0.1773134 0.1773134 -0.1773134), wk = 0.0041841 k( 110) = ( 0.1877436 0.1877436 -0.1877436), wk = 0.0041841 k( 111) = ( 0.1981738 0.1981738 -0.1981738), wk = 0.0041841 k( 112) = ( 0.2086041 0.2086040 -0.2086041), wk = 0.0041841 k( 113) = ( 0.2190343 0.2190342 -0.2190343), wk = 0.0041841 k( 114) = ( 0.2294644 0.2294644 -0.2294645), wk = 0.0041841 k( 115) = ( 0.2398946 0.2398946 -0.2398946), wk = 0.0041841 k( 116) = ( 0.2503248 0.2503248 -0.2503248), wk = 0.0041841 k( 117) = ( 0.2607551 0.2607551 -0.2607551), wk = 0.0041841 k( 118) = ( 0.2711853 0.2711853 -0.2711853), wk = 0.0041841 k( 119) = ( 0.2816155 0.2816155 -0.2816155), wk = 0.0041841 k( 120) = ( 0.2920457 0.2920457 -0.2920457), wk = 0.0041841 k( 121) = ( 0.3024759 0.3024759 -0.3024759), wk = 0.0041841 k( 122) = ( 0.3129061 0.3129061 -0.3129061), wk = 0.0041841 k( 123) = ( 0.3233363 0.3233363 -0.3233363), wk = 0.0041841 k( 124) = ( 0.3337665 0.3337665 -0.3337665), wk = 0.0041841 k( 125) = ( 0.3441967 0.3441967 -0.3441967), wk = 0.0041841 k( 126) = ( 0.3546269 0.3546269 -0.3546269), wk = 0.0041841 k( 127) = ( 0.3650571 0.3650571 -0.3650571), wk = 0.0041841 k( 128) = ( 0.3754873 0.3754873 -0.3754873), wk = 0.0041841 k( 129) = ( 0.3859175 0.3859175 -0.3859175), wk = 0.0041841 k( 130) = ( 0.3963477 0.3963477 -0.3963477), wk = 0.0041841 k( 131) = ( 0.3963477 0.3963477 -0.3963477), wk = 0.0041841 k( 132) = ( 0.3913012 0.3913012 -0.3740598), wk = 0.0041841 k( 133) = ( 0.3862547 0.3862547 -0.3517720), wk = 0.0041841 k( 134) = ( 0.3812083 0.3812083 -0.3294841), wk = 0.0041841 k( 135) = ( 0.3761618 0.3761618 -0.3071963), wk = 0.0041841 k( 136) = ( 0.3711153 0.3711153 -0.2849084), wk = 0.0041841 k( 137) = ( 0.3660689 0.3660689 -0.2626206), wk = 0.0041841 k( 138) = ( 0.3610224 0.3610224 -0.2403327), wk = 0.0041841 k( 139) = ( 0.3559759 0.3559759 -0.2180449), wk = 0.0041841 k( 140) = ( 0.3509294 0.3509294 -0.1957570), wk = 0.0041841 k( 141) = ( 0.3458830 0.3458830 -0.1734692), wk = 0.0041841 k( 142) = ( 0.3408365 0.3408365 -0.1511813), wk = 0.0041841 k( 143) = ( 0.3357900 0.3357900 -0.1288935), wk = 0.0041841 k( 144) = ( 0.3307435 0.3307435 -0.1066056), wk = 0.0041841 k( 145) = ( 0.3256971 0.3256971 -0.0843178), wk = 0.0041841 k( 146) = ( 0.3206506 0.3206506 -0.0620299), wk = 0.0041841 k( 147) = ( 0.3156041 0.3156041 -0.0397421), wk = 0.0041841 k( 148) = ( 0.3105577 0.3105577 -0.0174542), wk = 0.0041841 k( 149) = ( 0.3055112 0.3055112 0.0048336), wk = 0.0041841 k( 150) = ( 0.3004647 0.3004647 0.0271215), wk = 0.0041841 k( 151) = ( 0.2954182 0.2954182 0.0494093), wk = 0.0041841 k( 152) = ( 0.2903718 0.2903718 0.0716972), wk = 0.0041841 k( 153) = ( 0.2853253 0.2853253 0.0939850), wk = 0.0041841 k( 154) = ( 0.2802788 0.2802788 0.1162729), wk = 0.0041841 k( 155) = ( 0.2752324 0.2752324 0.1385607), wk = 0.0041841 k( 156) = ( 0.2701859 0.2701859 0.1608486), wk = 0.0041841 k( 157) = ( 0.2651394 0.2651394 0.1831365), wk = 0.0041841 k( 158) = ( 0.2600929 0.2600929 0.2054243), wk = 0.0041841 k( 159) = ( 0.2550465 0.2550465 0.2277122), wk = 0.0041841 k( 160) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0041841 k( 161) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0041841 k( 162) = ( 0.2361111 0.2638889 0.2361111), wk = 0.0041841 k( 163) = ( 0.2222222 0.2777778 0.2222222), wk = 0.0041841 k( 164) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0041841 k( 165) = ( 0.1944444 0.3055556 0.1944444), wk = 0.0041841 k( 166) = ( 0.1805556 0.3194444 0.1805556), wk = 0.0041841 k( 167) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0041841 k( 168) = ( 0.1527778 0.3472222 0.1527778), wk = 0.0041841 k( 169) = ( 0.1388889 0.3611111 0.1388889), wk = 0.0041841 k( 170) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0041841 k( 171) = ( 0.1111111 0.3888889 0.1111111), wk = 0.0041841 k( 172) = ( 0.0972222 0.4027778 0.0972222), wk = 0.0041841 k( 173) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0041841 k( 174) = ( 0.0694444 0.4305556 0.0694444), wk = 0.0041841 k( 175) = ( 0.0555556 0.4444444 0.0555556), wk = 0.0041841 k( 176) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0041841 k( 177) = ( 0.0277778 0.4722222 0.0277778), wk = 0.0041841 k( 178) = ( 0.0138889 0.4861111 0.0138889), wk = 0.0041841 k( 179) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0041841 k( 180) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0041841 k( 181) = ( -0.0172325 0.5045066 0.0172325), wk = 0.0041841 k( 182) = ( -0.0344650 0.5090132 0.0344650), wk = 0.0041841 k( 183) = ( -0.0516975 0.5135199 0.0516975), wk = 0.0041841 k( 184) = ( -0.0689300 0.5180265 0.0689300), wk = 0.0041841 k( 185) = ( -0.0861625 0.5225331 0.0861625), wk = 0.0041841 k( 186) = ( -0.1033951 0.5270397 0.1033950), wk = 0.0041841 k( 187) = ( -0.1206276 0.5315464 0.1206276), wk = 0.0041841 k( 188) = ( -0.1378601 0.5360530 0.1378601), wk = 0.0041841 k( 189) = ( -0.1550926 0.5405596 0.1550926), wk = 0.0041841 k( 190) = ( -0.1723251 0.5450662 0.1723251), wk = 0.0041841 k( 191) = ( -0.1895576 0.5495728 0.1895576), wk = 0.0041841 k( 192) = ( -0.2067901 0.5540795 0.2067901), wk = 0.0041841 k( 193) = ( -0.2240226 0.5585861 0.2240226), wk = 0.0041841 k( 194) = ( -0.2412551 0.5630927 0.2412551), wk = 0.0041841 k( 195) = ( -0.2584876 0.5675993 0.2584876), wk = 0.0041841 k( 196) = ( -0.2757201 0.5721060 0.2757201), wk = 0.0041841 k( 197) = ( -0.2929526 0.5766126 0.2929526), wk = 0.0041841 k( 198) = ( -0.3101852 0.5811192 0.3101852), wk = 0.0041841 k( 199) = ( -0.3274177 0.5856258 0.3274177), wk = 0.0041841 k( 200) = ( -0.3446502 0.5901325 0.3446502), wk = 0.0041841 k( 201) = ( -0.3618827 0.5946391 0.3618827), wk = 0.0041841 k( 202) = ( -0.3791152 0.5991457 0.3791152), wk = 0.0041841 k( 203) = ( -0.3963477 0.6036523 0.3963477), wk = 0.0041841 k( 204) = ( -0.3963477 0.6036523 0.3963477), wk = 0.0041841 k( 205) = ( -0.4067129 0.5932871 0.4067129), wk = 0.0041841 k( 206) = ( -0.4170781 0.5829218 0.4170782), wk = 0.0041841 k( 207) = ( -0.4274434 0.5725566 0.4274434), wk = 0.0041841 k( 208) = ( -0.4378086 0.5621914 0.4378086), wk = 0.0041841 k( 209) = ( -0.4481738 0.5518262 0.4481738), wk = 0.0041841 k( 210) = ( -0.4585391 0.5414609 0.4585391), wk = 0.0041841 k( 211) = ( -0.4689043 0.5310957 0.4689043), wk = 0.0041841 k( 212) = ( -0.4792695 0.5207305 0.4792695), wk = 0.0041841 k( 213) = ( -0.4896348 0.5103652 0.4896348), wk = 0.0041841 k( 214) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0041841 k( 215) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0041841 k( 216) = ( 0.0104167 0.0104167 0.4895833), wk = 0.0041841 k( 217) = ( 0.0208333 0.0208333 0.4791667), wk = 0.0041841 k( 218) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0041841 k( 219) = ( 0.0416667 0.0416667 0.4583333), wk = 0.0041841 k( 220) = ( 0.0520833 0.0520833 0.4479167), wk = 0.0041841 k( 221) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0041841 k( 222) = ( 0.0729167 0.0729167 0.4270833), wk = 0.0041841 k( 223) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0041841 k( 224) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0041841 k( 225) = ( 0.1041667 0.1041667 0.3958333), wk = 0.0041841 k( 226) = ( 0.1145833 0.1145833 0.3854167), wk = 0.0041841 k( 227) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0041841 k( 228) = ( 0.1354167 0.1354167 0.3645833), wk = 0.0041841 k( 229) = ( 0.1458333 0.1458333 0.3541667), wk = 0.0041841 k( 230) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0041841 k( 231) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0041841 k( 232) = ( 0.1770833 0.1770833 0.3229167), wk = 0.0041841 k( 233) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0041841 k( 234) = ( 0.1979167 0.1979167 0.3020833), wk = 0.0041841 k( 235) = ( 0.2083333 0.2083333 0.2916667), wk = 0.0041841 k( 236) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0041841 k( 237) = ( 0.2291667 0.2291667 0.2708333), wk = 0.0041841 k( 238) = ( 0.2395833 0.2395833 0.2604167), wk = 0.0041841 k( 239) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0041841 Dense grid: 136305 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 61741 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.39 Mb ( 440, 58) NL pseudopotentials 0.91 Mb ( 220, 272) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.03 Mb ( 3787) G-vector shells 0.01 Mb ( 1731) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.56 Mb ( 440, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.48 Mb ( 272, 2, 58) The potential is recalculated from file : ./KAlTe2.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.9 secs Computing kpt #: 2 total cpu time spent up to now is 6.2 secs Computing kpt #: 3 total cpu time spent up to now is 7.3 secs Computing kpt #: 4 total cpu time spent up to now is 8.5 secs Computing kpt #: 5 total cpu time spent up to now is 9.7 secs Computing kpt #: 6 total cpu time spent up to now is 11.1 secs Computing kpt #: 7 total cpu time spent up to now is 12.4 secs Computing kpt #: 8 total cpu time spent up to now is 13.7 secs Computing kpt #: 9 total cpu time spent up to now is 15.1 secs Computing kpt #: 10 total cpu time spent up to now is 16.6 secs Computing kpt #: 11 total cpu time spent up to now is 18.1 secs Computing kpt #: 12 total cpu time spent up to now is 19.5 secs Computing kpt #: 13 total cpu time spent up to now is 21.0 secs Computing kpt #: 14 total cpu time spent up to now is 22.5 secs Computing kpt #: 15 total cpu time spent up to now is 23.9 secs Computing kpt #: 16 total cpu time spent up to now is 25.5 secs Computing kpt #: 17 total cpu time spent up to now is 27.1 secs Computing kpt #: 18 total cpu time spent up to now is 29.2 secs Computing kpt #: 19 total cpu time spent up to now is 30.6 secs Computing kpt #: 20 total cpu time spent up to now is 32.1 secs Computing kpt #: 21 total cpu time spent up to now is 33.6 secs Computing kpt #: 22 total cpu time spent up to now is 35.0 secs Computing kpt #: 23 total cpu time spent up to now is 36.3 secs Computing kpt #: 24 total cpu time spent up to now is 37.6 secs Computing kpt #: 25 total cpu time spent up to now is 38.8 secs Computing kpt #: 26 total cpu time spent up to now is 40.0 secs Computing kpt #: 27 total cpu time spent up to now is 41.2 secs Computing kpt #: 28 total cpu time spent up to now is 42.4 secs Computing kpt #: 29 total cpu time spent up to now is 43.6 secs Computing kpt #: 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cpu time spent up to now is 122.9 secs Computing kpt #: 93 total cpu time spent up to now is 124.0 secs Computing kpt #: 94 total cpu time spent up to now is 125.5 secs Computing kpt #: 95 total cpu time spent up to now is 126.7 secs Computing kpt #: 96 total cpu time spent up to now is 127.9 secs Computing kpt #: 97 total cpu time spent up to now is 129.0 secs Computing kpt #: 98 total cpu time spent up to now is 130.2 secs Computing kpt #: 99 total cpu time spent up to now is 131.5 secs Computing kpt #: 100 total cpu time spent up to now is 132.7 secs Computing kpt #: 101 total cpu time spent up to now is 133.8 secs Computing kpt #: 102 total cpu time spent up to now is 135.0 secs Computing kpt #: 103 total cpu time spent up to now is 136.4 secs Computing kpt #: 104 total cpu time spent up to now is 137.8 secs Computing kpt #: 105 total cpu time spent up to now is 139.2 secs Computing kpt #: 106 total cpu time spent up to now is 140.6 secs Computing kpt #: 107 total cpu time spent up 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Computing kpt #: 138 total cpu time spent up to now is 175.5 secs Computing kpt #: 139 total cpu time spent up to now is 176.7 secs Computing kpt #: 140 total cpu time spent up to now is 177.9 secs Computing kpt #: 141 total cpu time spent up to now is 179.2 secs Computing kpt #: 142 total cpu time spent up to now is 180.5 secs Computing kpt #: 143 total cpu time spent up to now is 181.8 secs Computing kpt #: 144 total cpu time spent up to now is 183.2 secs Computing kpt #: 145 total cpu time spent up to now is 184.5 secs Computing kpt #: 146 total cpu time spent up to now is 185.9 secs Computing kpt #: 147 total cpu time spent up to now is 187.2 secs Computing kpt #: 148 total cpu time spent up to now is 188.7 secs Computing kpt #: 149 total cpu time spent up to now is 190.0 secs Computing kpt #: 150 total cpu time spent up to now is 191.3 secs Computing kpt #: 151 total cpu time spent up to now is 192.6 secs Computing kpt #: 152 total cpu time spent up to now is 193.9 secs Computing kpt #: 153 total cpu time spent up to now is 195.3 secs Computing kpt #: 154 total cpu time spent up to now is 196.8 secs Computing kpt #: 155 total cpu time spent up to now is 198.5 secs Computing kpt #: 156 total cpu time spent up to now is 200.3 secs Computing kpt #: 157 total cpu time spent up to now is 202.6 secs Computing kpt #: 158 total cpu time spent up to now is 204.8 secs Computing kpt #: 159 total cpu time spent up to now is 207.0 secs Computing kpt #: 160 total cpu time spent up to now is 208.4 secs Computing kpt #: 161 total cpu time spent up to now is 209.8 secs Computing kpt #: 162 total cpu time spent up to now is 211.2 secs Computing kpt #: 163 total cpu time spent up to now is 212.5 secs Computing kpt #: 164 total cpu time spent up to now is 213.9 secs Computing kpt #: 165 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 216.5 secs Computing kpt #: 166 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 219.0 secs Computing kpt #: 167 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 221.6 secs Computing kpt #: 168 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 224.2 secs Computing kpt #: 169 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 226.7 secs Computing kpt #: 170 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 229.2 secs Computing kpt #: 171 total cpu time spent up to now is 230.4 secs Computing kpt #: 172 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 233.0 secs Computing kpt #: 173 total cpu time spent up to now is 235.2 secs Computing kpt #: 174 total cpu time spent up to now is 237.0 secs Computing kpt #: 175 total cpu time spent up to now is 238.7 secs Computing kpt #: 176 total cpu time spent up to now is 240.5 secs Computing kpt #: 177 total cpu time spent up to now is 242.1 secs Computing kpt #: 178 total cpu time spent up to now is 243.7 secs Computing kpt #: 179 total cpu 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up to now is 265.3 secs Computing kpt #: 195 total cpu time spent up to now is 266.5 secs Computing kpt #: 196 total cpu time spent up to now is 267.7 secs Computing kpt #: 197 total cpu time spent up to now is 268.9 secs Computing kpt #: 198 total cpu time spent up to now is 270.0 secs Computing kpt #: 199 total cpu time spent up to now is 271.1 secs Computing kpt #: 200 total cpu time spent up to now is 272.1 secs Computing kpt #: 201 total cpu time spent up to now is 273.0 secs Computing kpt #: 202 total cpu time spent up to now is 274.0 secs Computing kpt #: 203 total cpu time spent up to now is 274.9 secs Computing kpt #: 204 total cpu time spent up to now is 275.8 secs Computing kpt #: 205 total cpu time spent up to now is 276.7 secs Computing kpt #: 206 total cpu time spent up to now is 277.7 secs Computing kpt #: 207 total cpu time spent up to now is 278.6 secs Computing kpt #: 208 total cpu time spent up to now is 279.7 secs Computing kpt #: 209 total cpu time spent up to now is 280.8 secs Computing kpt #: 210 total cpu time spent up to now is 281.8 secs Computing kpt #: 211 total cpu time spent up to now is 282.8 secs Computing kpt #: 212 total cpu time spent up to now is 283.7 secs Computing kpt #: 213 total cpu time spent up to now is 284.7 secs Computing kpt #: 214 total cpu time spent up to now is 285.7 secs Computing kpt #: 215 total cpu time spent up to now is 286.8 secs Computing kpt #: 216 total cpu time spent up to now is 288.1 secs Computing kpt #: 217 total cpu time spent up to now is 289.3 secs Computing kpt #: 218 total cpu time spent up to now is 290.6 secs Computing kpt #: 219 total cpu time spent up to now is 291.8 secs Computing kpt #: 220 total cpu time spent up to now is 293.0 secs Computing kpt #: 221 total cpu time spent up to now is 294.3 secs Computing kpt #: 222 total cpu time spent up to now is 295.6 secs Computing kpt #: 223 total cpu time spent up to now is 297.1 secs Computing kpt #: 224 total cpu time spent up to now is 298.6 secs Computing kpt #: 225 total cpu time spent up to now is 300.0 secs Computing kpt #: 226 total cpu time spent up to now is 301.4 secs Computing kpt #: 227 total cpu time spent up to now is 302.7 secs Computing kpt #: 228 total cpu time spent up to now is 304.1 secs Computing kpt #: 229 total cpu time spent up to now is 305.4 secs Computing kpt #: 230 total cpu time spent up to now is 306.7 secs Computing kpt #: 231 total cpu time spent up to now is 308.0 secs Computing kpt #: 232 total cpu time spent up to now is 309.1 secs Computing kpt #: 233 total cpu time spent up to now is 310.0 secs Computing kpt #: 234 total cpu time spent up to now is 311.1 secs Computing kpt #: 235 total cpu time spent up to now is 312.3 secs Computing kpt #: 236 total cpu time spent up to now is 313.5 secs Computing kpt #: 237 total cpu time spent up to now is 315.3 secs Computing kpt #: 238 total cpu time spent up to now is 317.4 secs Computing kpt #: 239 total cpu time spent up to now is 318.8 secs ethr = 2.08E-08, avg # of iterations = 38.1 total cpu time spent up to now is 318.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7713 PWs) bands (ev): -25.9044 -25.9044 -25.8259 -25.8259 -9.8614 -9.8614 -9.5116 -9.5116 -9.3368 -9.3368 -9.2941 -9.2941 -9.1889 -9.1889 -9.0971 -9.0971 -6.8331 -6.8331 -5.7706 -5.7706 -5.3890 -5.3890 -5.3889 -5.3889 -0.1694 -0.1694 -0.0581 -0.0581 0.6546 0.6546 1.6190 1.6190 1.6386 1.6386 1.7950 1.7950 2.1042 2.1042 3.4941 3.4941 3.5239 3.5239 3.5721 3.5721 4.3098 4.3098 4.4314 4.4314 6.9205 6.9205 7.9391 7.9391 8.1157 8.1157 8.1382 8.1382 8.3663 8.3663 k = 0.0000 0.0000 0.0219 ( 7709 PWs) bands (ev): -25.9044 -25.9044 -25.8259 -25.8259 -9.8614 -9.8614 -9.5116 -9.5116 -9.3367 -9.3367 -9.2941 -9.2941 -9.1889 -9.1889 -9.0971 -9.0971 -6.8324 -6.8324 -5.7706 -5.7706 -5.3900 -5.3900 -5.3889 -5.3889 -0.1705 -0.1705 -0.0583 -0.0583 0.6562 0.6562 1.6201 1.6201 1.6400 1.6400 1.7966 1.7966 2.1059 2.1059 3.4834 3.4834 3.5303 3.5303 3.5726 3.5726 4.3069 4.3069 4.4295 4.4295 6.9273 6.9273 7.9420 7.9420 8.0695 8.0695 8.1641 8.1641 8.3773 8.3773 k = 0.0000 0.0000 0.0437 ( 7709 PWs) bands (ev): -25.9044 -25.9044 -25.8259 -25.8259 -9.8615 -9.8615 -9.5117 -9.5117 -9.3367 -9.3367 -9.2943 -9.2943 -9.1889 -9.1889 -9.0972 -9.0972 -6.8302 -6.8302 -5.7707 -5.7707 -5.3930 -5.3930 -5.3888 -5.3888 -0.1739 -0.1739 -0.0587 -0.0587 0.6609 0.6609 1.6220 1.6220 1.6456 1.6456 1.8015 1.8015 2.1110 2.1110 3.4618 3.4618 3.5387 3.5387 3.5741 3.5741 4.2980 4.2980 4.4242 4.4242 6.9473 6.9473 7.9506 7.9506 7.9993 7.9993 8.1783 8.1783 8.4020 8.4020 k = 0.0000 0.0000 0.0656 ( 7714 PWs) bands (ev): -25.9044 -25.9044 -25.8259 -25.8259 -9.8615 -9.8615 -9.5119 -9.5119 -9.3367 -9.3367 -9.2945 -9.2945 -9.1889 -9.1889 -9.0972 -9.0972 -6.8265 -6.8265 -5.7709 -5.7709 -5.3980 -5.3980 -5.3886 -5.3886 -0.1794 -0.1794 -0.0595 -0.0595 0.6688 0.6688 1.6223 1.6223 1.6578 1.6578 1.8094 1.8094 2.1196 2.1196 3.4354 3.4354 3.5427 3.5427 3.5768 3.5768 4.2827 4.2827 4.4168 4.4168 6.9799 6.9799 7.9192 7.9192 7.9654 7.9654 8.1746 8.1746 8.4181 8.4181 k = 0.0000 0.0000 0.0875 ( 7722 PWs) bands (ev): -25.9045 -25.9045 -25.8259 -25.8259 -9.8616 -9.8616 -9.5122 -9.5122 -9.3367 -9.3367 -9.2949 -9.2949 -9.1888 -9.1888 -9.0972 -9.0972 -6.8214 -6.8214 -5.7712 -5.7712 -5.4049 -5.4049 -5.3884 -5.3884 -0.1869 -0.1869 -0.0605 -0.0605 0.6798 0.6798 1.6208 1.6208 1.6766 1.6766 1.8199 1.8199 2.1318 2.1318 3.4059 3.4059 3.5409 3.5409 3.5804 3.5804 4.2611 4.2611 4.4084 4.4084 7.0239 7.0239 7.8338 7.8338 7.9855 7.9855 8.1536 8.1536 8.4202 8.4202 k = 0.0000 0.0000 0.1093 ( 7730 PWs) bands (ev): -25.9045 -25.9045 -25.8259 -25.8259 -9.8617 -9.8617 -9.5125 -9.5125 -9.3366 -9.3366 -9.2953 -9.2953 -9.1888 -9.1888 -9.0973 -9.0973 -6.8150 -6.8150 -5.7716 -5.7716 -5.4136 -5.4136 -5.3881 -5.3881 -0.1962 -0.1962 -0.0617 -0.0617 0.6939 0.6939 1.6181 1.6181 1.7013 1.7013 1.8326 1.8326 2.1476 2.1476 3.3737 3.3737 3.5329 3.5329 3.5845 3.5845 4.2337 4.2337 4.3999 4.3999 7.0777 7.0777 7.7456 7.7456 8.0114 8.0114 8.1161 8.1161 8.4256 8.4256 k = 0.0000 0.0000 0.1312 ( 7732 PWs) bands (ev): -25.9045 -25.9045 -25.8259 -25.8259 -9.8619 -9.8619 -9.5129 -9.5129 -9.3366 -9.3366 -9.2958 -9.2958 -9.1887 -9.1887 -9.0974 -9.0974 -6.8071 -6.8071 -5.7721 -5.7721 -5.4241 -5.4241 -5.3878 -5.3878 -0.2070 -0.2070 -0.0630 -0.0630 0.7110 0.7110 1.6145 1.6145 1.7312 1.7312 1.8470 1.8470 2.1671 2.1671 3.3394 3.3394 3.5182 3.5182 3.5891 3.5891 4.2017 4.2017 4.3917 4.3917 7.1396 7.1396 7.6567 7.6567 8.0427 8.0427 8.0651 8.0651 8.4393 8.4393 k = 0.0000 0.0000 0.1531 ( 7738 PWs) bands (ev): -25.9045 -25.9045 -25.8259 -25.8259 -9.8620 -9.8620 -9.5134 -9.5134 -9.3365 -9.3365 -9.2964 -9.2964 -9.1886 -9.1886 -9.0974 -9.0974 -6.7980 -6.7980 -5.7727 -5.7727 -5.4362 -5.4362 -5.3874 -5.3874 -0.2191 -0.2191 -0.0643 -0.0643 0.7310 0.7310 1.6103 1.6103 1.7658 1.7658 1.8628 1.8628 2.1902 2.1902 3.3031 3.3031 3.4966 3.4966 3.5941 3.5941 4.1666 4.1666 4.3838 4.3838 7.2078 7.2078 7.5690 7.5690 8.0044 8.0044 8.0799 8.0799 8.4603 8.4603 k = 0.0000 0.0000 0.1749 ( 7728 PWs) bands (ev): -25.9045 -25.9045 -25.8258 -25.8258 -9.8622 -9.8622 -9.5139 -9.5139 -9.3365 -9.3365 -9.2970 -9.2970 -9.1885 -9.1885 -9.0975 -9.0975 -6.7877 -6.7877 -5.7735 -5.7735 -5.4497 -5.4497 -5.3869 -5.3869 -0.2323 -0.2323 -0.0655 -0.0655 0.7539 0.7539 1.6056 1.6056 1.8044 1.8044 1.8797 1.8797 2.2168 2.2168 3.2652 3.2652 3.4682 3.4682 3.5998 3.5998 4.1295 4.1295 4.3760 4.3760 7.2794 7.2794 7.4847 7.4847 7.9383 7.9383 8.1220 8.1220 8.4862 8.4862 k = 0.0000 0.0000 0.1968 ( 7730 PWs) bands (ev): -25.9045 -25.9045 -25.8259 -25.8259 -9.8623 -9.8623 -9.5145 -9.5145 -9.3364 -9.3364 -9.2977 -9.2977 -9.1884 -9.1884 -9.0976 -9.0976 -6.7762 -6.7762 -5.7744 -5.7744 -5.4645 -5.4645 -5.3865 -5.3865 -0.2462 -0.2462 -0.0665 -0.0665 0.7796 0.7796 1.6005 1.6005 1.8462 1.8462 1.8980 1.8980 2.2464 2.2464 3.2257 3.2257 3.4334 3.4334 3.6061 3.6061 4.0913 4.0913 4.3682 4.3682 7.3428 7.3428 7.4147 7.4147 7.8693 7.8693 8.1693 8.1693 8.5149 8.5149 k = 0.0000 0.0000 0.2186 ( 7730 PWs) bands (ev): -25.9045 -25.9045 -25.8259 -25.8259 -9.8625 -9.8625 -9.5151 -9.5151 -9.3363 -9.3363 -9.2984 -9.2984 -9.1883 -9.1883 -9.0976 -9.0976 -6.7637 -6.7637 -5.7755 -5.7755 -5.4805 -5.4805 -5.3860 -5.3860 -0.2606 -0.2606 -0.0674 -0.0674 0.8078 0.8078 1.5953 1.5953 1.8875 1.8875 1.9205 1.9205 2.2786 2.2786 3.1848 3.1848 3.3933 3.3933 3.6131 3.6131 4.0524 4.0524 4.3603 4.3603 7.3099 7.3099 7.4463 7.4463 7.7995 7.7995 8.2215 8.2215 8.5443 8.5443 k = 0.0000 0.0000 0.2405 ( 7728 PWs) bands (ev): -25.9045 -25.9045 -25.8259 -25.8259 -9.8627 -9.8627 -9.5157 -9.5157 -9.3362 -9.3362 -9.2991 -9.2991 -9.1882 -9.1882 -9.0977 -9.0977 -6.7503 -6.7503 -5.7769 -5.7769 -5.4973 -5.4973 -5.3854 -5.3854 -0.2752 -0.2752 -0.0679 -0.0679 0.8384 0.8384 1.5899 1.5899 1.9178 1.9178 1.9571 1.9571 2.3125 2.3125 3.1425 3.1425 3.3493 3.3493 3.6207 3.6207 4.0130 4.0130 4.3522 4.3522 7.2400 7.2400 7.5190 7.5190 7.7306 7.7306 8.2784 8.2784 8.5726 8.5726 k = 0.0000 0.0000 0.2624 ( 7722 PWs) bands (ev): -25.9045 -25.9045 -25.8259 -25.8259 -9.8629 -9.8629 -9.5164 -9.5164 -9.3362 -9.3362 -9.2999 -9.2999 -9.1881 -9.1881 -9.0978 -9.0978 -6.7361 -6.7361 -5.7786 -5.7786 -5.5147 -5.5147 -5.3849 -5.3849 -0.2899 -0.2899 -0.0681 -0.0681 0.8713 0.8713 1.5844 1.5844 1.9380 1.9380 2.0065 2.0065 2.3472 2.3472 3.0990 3.0990 3.3031 3.3031 3.6288 3.6288 3.9729 3.9729 4.3439 4.3439 7.1731 7.1731 7.5901 7.5901 7.6653 7.6653 8.3396 8.3396 8.5980 8.5980 k = 0.0000 0.0000 0.2842 ( 7718 PWs) bands (ev): -25.9045 -25.9045 -25.8258 -25.8258 -9.8631 -9.8631 -9.5170 -9.5170 -9.3361 -9.3361 -9.3007 -9.3007 -9.1880 -9.1880 -9.0979 -9.0979 -6.7212 -6.7212 -5.7807 -5.7807 -5.5325 -5.5325 -5.3843 -5.3843 -0.3044 -0.3044 -0.0679 -0.0679 0.9061 0.9061 1.5792 1.5792 1.9553 1.9553 2.0610 2.0610 2.3816 2.3816 3.0547 3.0547 3.2565 3.2565 3.6374 3.6374 3.9317 3.9317 4.3352 4.3352 7.1122 7.1122 7.5928 7.5928 7.6668 7.6668 8.4049 8.4049 8.6195 8.6195 k = 0.0000 0.0000 0.3061 ( 7720 PWs) bands (ev): -25.9044 -25.9044 -25.8259 -25.8259 -9.8634 -9.8634 -9.5177 -9.5177 -9.3360 -9.3360 -9.3014 -9.3014 -9.1879 -9.1879 -9.0979 -9.0979 -6.7059 -6.7059 -5.7831 -5.7831 -5.5503 -5.5503 -5.3838 -5.3838 -0.3185 -0.3185 -0.0674 -0.0674 0.9425 0.9425 1.5741 1.5741 1.9715 1.9715 2.1182 2.1182 2.4139 2.4139 3.0102 3.0102 3.2110 3.2110 3.6464 3.6464 3.8893 3.8893 4.3263 4.3263 7.0583 7.0583 7.5333 7.5333 7.7272 7.7272 8.4736 8.4736 8.6358 8.6358 k = 0.0000 0.0000 0.3280 ( 7720 PWs) bands (ev): -25.9044 -25.9044 -25.8259 -25.8259 -9.8636 -9.8636 -9.5184 -9.5184 -9.3359 -9.3359 -9.3021 -9.3021 -9.1878 -9.1878 -9.0980 -9.0980 -6.6903 -6.6903 -5.7860 -5.7860 -5.5679 -5.5679 -5.3833 -5.3833 -0.3320 -0.3320 -0.0666 -0.0666 0.9803 0.9803 1.5695 1.5695 1.9869 1.9869 2.1772 2.1772 2.4424 2.4424 2.9670 2.9670 3.1680 3.1680 3.6556 3.6556 3.8454 3.8454 4.3171 4.3171 7.0121 7.0121 7.4758 7.4758 7.7806 7.7806 8.5450 8.5450 8.6459 8.6459 k = 0.0000 0.0000 0.3498 ( 7728 PWs) bands (ev): -25.9044 -25.9044 -25.8259 -25.8259 -9.8638 -9.8638 -9.5190 -9.5190 -9.3359 -9.3359 -9.3029 -9.3029 -9.1877 -9.1877 -9.0981 -9.0981 -6.6746 -6.6746 -5.7895 -5.7895 -5.5849 -5.5849 -5.3827 -5.3827 -0.3448 -0.3448 -0.0655 -0.0655 1.0189 1.0189 1.5654 1.5654 2.0018 2.0018 2.2372 2.2372 2.4645 2.4645 2.9274 2.9274 3.1284 3.1284 3.6648 3.6648 3.8002 3.8002 4.3077 4.3077 6.9741 6.9741 7.4221 7.4221 7.8227 7.8227 8.6076 8.6076 8.6306 8.6306 k = 0.0000 0.0000 0.3717 ( 7716 PWs) bands (ev): -25.9044 -25.9044 -25.8259 -25.8259 -9.8640 -9.8640 -9.5197 -9.5197 -9.3358 -9.3358 -9.3035 -9.3035 -9.1876 -9.1876 -9.0981 -9.0981 -6.6590 -6.6590 -5.7935 -5.7935 -5.6009 -5.6009 -5.3822 -5.3822 -0.3568 -0.3568 -0.0641 -0.0641 1.0578 1.0578 1.5620 1.5620 2.0159 2.0159 2.2976 2.2976 2.4773 2.4773 2.8944 2.8944 3.0928 3.0928 3.6733 3.6733 3.7541 3.7541 4.2983 4.2983 6.9447 6.9447 7.3729 7.3729 7.8505 7.8505 8.5149 8.5149 8.6557 8.6557 k = 0.0000 0.0000 0.3936 ( 7720 PWs) bands (ev): -25.9044 -25.9044 -25.8259 -25.8259 -9.8641 -9.8641 -9.5203 -9.5203 -9.3357 -9.3357 -9.3041 -9.3041 -9.1875 -9.1875 -9.0982 -9.0982 -6.6439 -6.6439 -5.7981 -5.7981 -5.6156 -5.6156 -5.3818 -5.3818 -0.3678 -0.3678 -0.0626 -0.0626 1.0964 1.0964 1.5595 1.5595 2.0292 2.0292 2.3573 2.3573 2.4785 2.4785 2.8710 2.8710 3.0618 3.0618 3.6769 3.6769 3.7115 3.7115 4.2889 4.2889 6.9240 6.9240 7.3284 7.3284 7.8600 7.8600 8.4191 8.4191 8.6545 8.6545 k = 0.0000 0.0000 0.4154 ( 7732 PWs) bands (ev): -25.9044 -25.9044 -25.8259 -25.8259 -9.8643 -9.8643 -9.5208 -9.5208 -9.3357 -9.3357 -9.3047 -9.3047 -9.1874 -9.1874 -9.0982 -9.0982 -6.6295 -6.6295 -5.8032 -5.8032 -5.6288 -5.6288 -5.3813 -5.3813 -0.3777 -0.3777 -0.0609 -0.0609 1.1339 1.1339 1.5579 1.5579 2.0415 2.0415 2.4149 2.4149 2.4678 2.4678 2.8584 2.8584 3.0356 3.0356 3.6481 3.6481 3.7001 3.7001 4.2798 4.2798 6.9120 6.9120 7.2889 7.2889 7.8475 7.8475 8.3420 8.3420 8.6512 8.6512 k = 0.0000 0.0000 0.4373 ( 7734 PWs) bands (ev): -25.9044 -25.9044 -25.8259 -25.8259 -9.8645 -9.8645 -9.5213 -9.5213 -9.3356 -9.3356 -9.3052 -9.3052 -9.1874 -9.1874 -9.0983 -9.0983 -6.6161 -6.6161 -5.8087 -5.8087 -5.6402 -5.6402 -5.3809 -5.3809 -0.3865 -0.3865 -0.0593 -0.0593 1.1694 1.1694 1.5576 1.5576 2.0527 2.0527 2.4421 2.4421 2.4745 2.4745 2.8554 2.8554 3.0148 3.0148 3.6012 3.6012 3.7061 3.7061 4.2712 4.2712 6.9084 6.9084 7.2545 7.2545 7.8119 7.8119 8.2880 8.2880 8.6470 8.6470 k = 0.0000 0.0000 0.4592 ( 7726 PWs) bands (ev): -25.9044 -25.9044 -25.8259 -25.8259 -9.8646 -9.8646 -9.5218 -9.5218 -9.3356 -9.3356 -9.3057 -9.3057 -9.1873 -9.1873 -9.0983 -9.0983 -6.6040 -6.6040 -5.8142 -5.8142 -5.6497 -5.6497 -5.3806 -5.3806 -0.3940 -0.3940 -0.0578 -0.0578 1.2019 1.2019 1.5584 1.5584 2.0625 2.0625 2.4158 2.4158 2.5240 2.5240 2.8588 2.8588 2.9998 2.9998 3.5533 3.5533 3.7133 3.7133 4.2633 4.2633 6.9124 6.9124 7.2253 7.2253 7.7581 7.7581 8.2551 8.2551 8.6427 8.6427 k = 0.0000 0.0000 0.4810 ( 7724 PWs) bands (ev): -25.9044 -25.9044 -25.8259 -25.8259 -9.8647 -9.8647 -9.5221 -9.5221 -9.3355 -9.3355 -9.3060 -9.3060 -9.1872 -9.1872 -9.0984 -9.0984 -6.5935 -6.5935 -5.8196 -5.8196 -5.6574 -5.6574 -5.3803 -5.3803 -0.4003 -0.4003 -0.0564 -0.0564 1.2303 1.2303 1.5604 1.5604 2.0707 2.0707 2.3864 2.3864 2.5687 2.5687 2.8654 2.8654 2.9908 2.9908 3.5075 3.5075 3.7199 3.7199 4.2563 4.2563 6.9227 6.9227 7.2014 7.2014 7.6958 7.6958 8.2371 8.2372 8.6388 8.6388 k = 0.0000 0.0000 0.5029 ( 7730 PWs) bands (ev): -25.9044 -25.9044 -25.8259 -25.8259 -9.8648 -9.8648 -9.5224 -9.5224 -9.3355 -9.3355 -9.3063 -9.3063 -9.1872 -9.1872 -9.0984 -9.0984 -6.5850 -6.5850 -5.8243 -5.8243 -5.6632 -5.6632 -5.3801 -5.3801 -0.4052 -0.4052 -0.0552 -0.0552 1.2536 1.2536 1.5631 1.5631 2.0772 2.0772 2.3592 2.3592 2.6053 2.6053 2.8729 2.8729 2.9875 2.9875 3.4661 3.4661 3.7255 3.7255 4.2506 4.2506 6.9371 6.9371 7.1827 7.1827 7.6346 7.6346 8.2279 8.2279 8.6354 8.6354 k = 0.0000 0.0000 0.5248 ( 7734 PWs) bands (ev): -25.9044 -25.9044 -25.8259 -25.8259 -9.8649 -9.8649 -9.5227 -9.5227 -9.3355 -9.3355 -9.3065 -9.3065 -9.1872 -9.1872 -9.0984 -9.0984 -6.5787 -6.5787 -5.8280 -5.8280 -5.6672 -5.6672 -5.3799 -5.3799 -0.4087 -0.4087 -0.0543 -0.0543 1.2707 1.2707 1.5660 1.5660 2.0818 2.0818 2.3373 2.3373 2.6321 2.6321 2.8795 2.8795 2.9884 2.9884 3.4323 3.4323 3.7296 3.7296 4.2463 4.2463 6.9522 6.9522 7.1694 7.1694 7.5831 7.5831 8.2233 8.2233 8.6329 8.6329 k = 0.0000 0.0000 0.5466 ( 7736 PWs) bands (ev): -25.9044 -25.9044 -25.8259 -25.8259 -9.8649 -9.8649 -9.5228 -9.5228 -9.3355 -9.3355 -9.3067 -9.3067 -9.1871 -9.1871 -9.0984 -9.0984 -6.5748 -6.5748 -5.8303 -5.8303 -5.6696 -5.6696 -5.3798 -5.3798 -0.4109 -0.4109 -0.0538 -0.0538 1.2812 1.2812 1.5682 1.5682 2.0845 2.0845 2.3232 2.3232 2.6482 2.6482 2.8841 2.8841 2.9910 2.9910 3.4097 3.4097 3.7322 3.7322 4.2436 4.2436 6.9641 6.9641 7.1614 7.1614 7.5485 7.5485 8.2212 8.2212 8.6314 8.6314 k = 0.0000 0.0000 0.5685 ( 7736 PWs) bands (ev): -25.9044 -25.9044 -25.8259 -25.8259 -9.8649 -9.8649 -9.5228 -9.5228 -9.3355 -9.3355 -9.3067 -9.3067 -9.1871 -9.1871 -9.0984 -9.0984 -6.5735 -6.5735 -5.8312 -5.8312 -5.6704 -5.6704 -5.3798 -5.3798 -0.4116 -0.4116 -0.0536 -0.0536 1.2848 1.2848 1.5691 1.5691 2.0854 2.0854 2.3184 2.3184 2.6535 2.6535 2.8857 2.8857 2.9923 2.9923 3.4017 3.4017 3.7330 3.7330 4.2427 4.2427 6.9686 6.9686 7.1587 7.1587 7.5362 7.5362 8.2206 8.2206 8.6309 8.6309 k = 0.0000 0.0000 0.5685 ( 7736 PWs) bands (ev): -25.9044 -25.9044 -25.8259 -25.8259 -9.8649 -9.8649 -9.5228 -9.5228 -9.3355 -9.3355 -9.3067 -9.3067 -9.1871 -9.1871 -9.0984 -9.0984 -6.5735 -6.5735 -5.8312 -5.8312 -5.6704 -5.6704 -5.3798 -5.3798 -0.4116 -0.4116 -0.0536 -0.0536 1.2848 1.2848 1.5691 1.5691 2.0854 2.0854 2.3184 2.3184 2.6535 2.6535 2.8857 2.8857 2.9923 2.9923 3.4017 3.4017 3.7330 3.7330 4.2427 4.2427 6.9686 6.9686 7.1587 7.1587 7.5362 7.5362 8.2206 8.2206 8.6309 8.6309 k =-0.0192 0.0104 0.5685 ( 7734 PWs) bands (ev): -25.9044 -25.9044 -25.8259 -25.8259 -9.8649 -9.8649 -9.5229 -9.5229 -9.3355 -9.3355 -9.3067 -9.3067 -9.1871 -9.1871 -9.0984 -9.0984 -6.5729 -6.5729 -5.8309 -5.8309 -5.6705 -5.6705 -5.3807 -5.3807 -0.4128 -0.4128 -0.0533 -0.0533 1.2861 1.2861 1.5717 1.5717 2.0879 2.0879 2.3159 2.3159 2.6545 2.6545 2.8850 2.8850 2.9936 2.9936 3.4006 3.4006 3.7340 3.7340 4.2379 4.2379 6.9725 6.9725 7.1538 7.1538 7.5384 7.5384 8.2160 8.2160 8.6341 8.6341 k =-0.0385 0.0208 0.5685 ( 7734 PWs) bands (ev): -25.9044 -25.9044 -25.8259 -25.8259 -9.8650 -9.8650 -9.5229 -9.5229 -9.3355 -9.3355 -9.3068 -9.3068 -9.1871 -9.1871 -9.0984 -9.0984 -6.5713 -6.5713 -5.8301 -5.8301 -5.6708 -5.6708 -5.3834 -5.3834 -0.4164 -0.4164 -0.0526 -0.0526 1.2900 1.2900 1.5795 1.5795 2.0954 2.0954 2.3086 2.3086 2.6572 2.6572 2.8828 2.8828 2.9972 2.9972 3.3975 3.3975 3.7371 3.7371 4.2235 4.2235 6.9841 6.9841 7.1393 7.1393 7.5449 7.5449 8.2026 8.2026 8.6435 8.6435 k =-0.0577 0.0312 0.5685 ( 7734 PWs) bands (ev): -25.9044 -25.9044 -25.8259 -25.8259 -9.8650 -9.8650 -9.5230 -9.5230 -9.3354 -9.3354 -9.3070 -9.3070 -9.1871 -9.1871 -9.0985 -9.0985 -6.5685 -6.5685 -5.8288 -5.8288 -5.6713 -5.6713 -5.3879 -5.3879 -0.4223 -0.4223 -0.0514 -0.0514 1.2964 1.2964 1.5925 1.5925 2.1074 2.1074 2.2975 2.2975 2.6614 2.6614 2.8794 2.8794 3.0027 3.0027 3.3923 3.3923 3.7422 3.7422 4.2000 4.2000 7.0030 7.0030 7.1157 7.1157 7.5553 7.5553 8.1815 8.1815 8.6582 8.6582 k =-0.0769 0.0416 0.5685 ( 7728 PWs) bands (ev): -25.9044 -25.9044 -25.8259 -25.8259 -9.8651 -9.8651 -9.5231 -9.5231 -9.3354 -9.3354 -9.3073 -9.3073 -9.1870 -9.1870 -9.0985 -9.0985 -6.5647 -6.5647 -5.8269 -5.8269 -5.6720 -5.6720 -5.3942 -5.3942 -0.4304 -0.4304 -0.0497 -0.0497 1.3052 1.3052 1.6105 1.6105 2.1229 2.1229 2.2840 2.2840 2.6665 2.6665 2.8750 2.8750 3.0099 3.0099 3.3850 3.3850 3.7495 3.7495 4.1678 4.1678 7.0276 7.0276 7.0850 7.0850 7.5686 7.5686 8.1543 8.1543 8.6775 8.6775 k =-0.0962 0.0520 0.5685 ( 7716 PWs) bands (ev): -25.9044 -25.9044 -25.8259 -25.8259 -9.8652 -9.8652 -9.5233 -9.5233 -9.3353 -9.3353 -9.3076 -9.3076 -9.1869 -9.1869 -9.0985 -9.0985 -6.5598 -6.5598 -5.8246 -5.8246 -5.6729 -5.6729 -5.4021 -5.4021 -0.4403 -0.4403 -0.0475 -0.0475 1.3163 1.3163 1.6336 1.6336 2.1397 2.1397 2.2710 2.2710 2.6720 2.6720 2.8697 2.8697 3.0181 3.0181 3.3756 3.3756 3.7592 3.7592 4.1277 4.1277 7.0317 7.0317 7.0733 7.0733 7.5840 7.5840 8.1225 8.1225 8.7004 8.7004 k =-0.1154 0.0624 0.5685 ( 7708 PWs) bands (ev): -25.9044 -25.9044 -25.8259 -25.8259 -9.8654 -9.8654 -9.5235 -9.5235 -9.3353 -9.3353 -9.3080 -9.3080 -9.1869 -9.1869 -9.0986 -9.0986 -6.5539 -6.5539 -5.8219 -5.8219 -5.6740 -5.6740 -5.4115 -5.4115 -0.4520 -0.4520 -0.0448 -0.0448 1.3295 1.3295 1.6614 1.6614 2.1528 2.1528 2.2639 2.2639 2.6775 2.6775 2.8637 2.8637 3.0271 3.0271 3.3641 3.3641 3.7714 3.7714 4.0806 4.0806 6.9879 6.9879 7.1087 7.1087 7.6001 7.6001 8.0876 8.0876 8.7260 8.7260 k =-0.1346 0.0728 0.5685 ( 7706 PWs) bands (ev): -25.9044 -25.9044 -25.8259 -25.8259 -9.8655 -9.8655 -9.5237 -9.5237 -9.3352 -9.3352 -9.3084 -9.3084 -9.1868 -9.1868 -9.0986 -9.0986 -6.5470 -6.5470 -5.8187 -5.8187 -5.6754 -5.6754 -5.4224 -5.4224 -0.4651 -0.4651 -0.0415 -0.0415 1.3446 1.3446 1.6938 1.6938 2.1547 2.1547 2.2707 2.2707 2.6827 2.6827 2.8569 2.8569 3.0366 3.0366 3.3506 3.3506 3.7859 3.7859 4.0274 4.0274 6.9333 6.9333 7.1541 7.1541 7.6158 7.6158 8.0512 8.0512 8.7529 8.7529 k =-0.1538 0.0832 0.5685 ( 7708 PWs) bands (ev): -25.9044 -25.9044 -25.8259 -25.8259 -9.8657 -9.8657 -9.5240 -9.5240 -9.3351 -9.3351 -9.3089 -9.3089 -9.1867 -9.1867 -9.0987 -9.0987 -6.5392 -6.5392 -5.8152 -5.8152 -5.6770 -5.6770 -5.4345 -5.4345 -0.4793 -0.4793 -0.0378 -0.0378 1.3617 1.3617 1.7305 1.7305 2.1434 2.1434 2.2933 2.2933 2.6874 2.6874 2.8495 2.8495 3.0465 3.0465 3.3350 3.3350 3.8029 3.8029 3.9691 3.9691 6.8727 6.8727 7.2052 7.2052 7.6296 7.6296 8.0145 8.0145 8.7768 8.7768 k =-0.1731 0.0936 0.5685 ( 7716 PWs) bands (ev): -25.9044 -25.9044 -25.8259 -25.8259 -9.8659 -9.8659 -9.5243 -9.5243 -9.3351 -9.3351 -9.3094 -9.3094 -9.1866 -9.1866 -9.0987 -9.0987 -6.5305 -6.5305 -5.8114 -5.8114 -5.6789 -5.6789 -5.4478 -5.4478 -0.4943 -0.4943 -0.0336 -0.0336 1.3805 1.3805 1.7711 1.7711 2.1245 2.1245 2.3264 2.3264 2.6913 2.6913 2.8415 2.8415 3.0567 3.0567 3.3174 3.3174 3.8220 3.8220 3.9067 3.9067 6.8075 6.8075 7.2608 7.2608 7.6401 7.6401 7.9793 7.9793 8.7835 8.7835 k =-0.1923 0.1040 0.5685 ( 7712 PWs) bands (ev): -25.9044 -25.9044 -25.8259 -25.8259 -9.8661 -9.8661 -9.5246 -9.5246 -9.3350 -9.3350 -9.3099 -9.3099 -9.1865 -9.1865 -9.0988 -9.0988 -6.5209 -6.5209 -5.8073 -5.8073 -5.6810 -5.6810 -5.4621 -5.4621 -0.5099 -0.5099 -0.0290 -0.0290 1.4010 1.4010 1.8151 1.8151 2.1022 2.1022 2.3655 2.3655 2.6943 2.6943 2.8329 2.8329 3.0674 3.0674 3.2978 3.2978 3.8394 3.8394 3.8449 3.8449 6.7388 6.7388 7.3198 7.3198 7.6459 7.6459 7.9470 7.9470 8.7629 8.7629 k =-0.2115 0.1144 0.5685 ( 7708 PWs) bands (ev): -25.9044 -25.9044 -25.8259 -25.8259 -9.8663 -9.8663 -9.5250 -9.5250 -9.3349 -9.3349 -9.3105 -9.3105 -9.1864 -9.1864 -9.0988 -9.0988 -6.5106 -6.5106 -5.8030 -5.8030 -5.6835 -5.6835 -5.4770 -5.4770 -0.5258 -0.5258 -0.0239 -0.0239 1.4229 1.4229 1.8622 1.8622 2.0789 2.0789 2.4080 2.4080 2.6962 2.6962 2.8241 2.8241 3.0786 3.0786 3.2762 3.2762 3.7734 3.7734 3.8660 3.8660 6.6677 6.6677 7.3809 7.3809 7.6457 7.6457 7.9193 7.9193 8.7315 8.7315 k =-0.2308 0.1248 0.5685 ( 7710 PWs) bands (ev): -25.9044 -25.9044 -25.8259 -25.8259 -9.8666 -9.8666 -9.5253 -9.5253 -9.3348 -9.3348 -9.3110 -9.3110 -9.1863 -9.1863 -9.0989 -9.0989 -6.4997 -6.4997 -5.7986 -5.7986 -5.6863 -5.6863 -5.4925 -5.4925 -0.5418 -0.5418 -0.0186 -0.0186 1.4462 1.4462 1.9118 1.9118 2.0559 2.0559 2.4523 2.4523 2.6969 2.6969 2.8153 2.8153 3.0906 3.0906 3.2528 3.2528 3.7046 3.7046 3.8900 3.8900 6.5953 6.5953 7.4428 7.4428 7.6392 7.6392 7.8973 7.8973 8.7003 8.7003 k =-0.2500 0.1353 0.5685 ( 7710 PWs) bands (ev): -25.9044 -25.9044 -25.8259 -25.8259 -9.8668 -9.8668 -9.5257 -9.5257 -9.3347 -9.3347 -9.3116 -9.3116 -9.1862 -9.1862 -9.0989 -9.0989 -6.4882 -6.4882 -5.7941 -5.7941 -5.6896 -5.6896 -5.5081 -5.5081 -0.5575 -0.5575 -0.0129 -0.0129 1.4705 1.4705 1.9635 1.9635 2.0340 2.0340 2.4969 2.4969 2.6962 2.6962 2.8070 2.8070 3.1033 3.1033 3.2277 3.2277 3.6355 3.6355 3.9148 3.9148 6.5227 6.5227 7.5029 7.5029 7.6276 7.6276 7.8812 7.8812 8.6731 8.6731 k =-0.2692 0.1457 0.5685 ( 7702 PWs) bands (ev): -25.9043 -25.9043 -25.8259 -25.8259 -9.8670 -9.8670 -9.5260 -9.5260 -9.3346 -9.3346 -9.3122 -9.3122 -9.1861 -9.1861 -9.0990 -9.0990 -6.4763 -6.4763 -5.7896 -5.7896 -5.6934 -5.6934 -5.5236 -5.5236 -0.5729 -0.5729 -0.0070 -0.0070 1.4957 1.4957 2.0139 2.0139 2.0166 2.0166 2.5402 2.5402 2.6945 2.6945 2.7997 2.7997 3.1167 3.1167 3.2012 3.2012 3.5670 3.5670 3.9400 3.9400 6.4508 6.4508 7.5542 7.5542 7.6179 7.6179 7.8704 7.8704 8.6518 8.6518 k =-0.2885 0.1561 0.5685 ( 7702 PWs) bands (ev): -25.9043 -25.9043 -25.8259 -25.8259 -9.8672 -9.8672 -9.5264 -9.5264 -9.3346 -9.3346 -9.3127 -9.3127 -9.1860 -9.1860 -9.0990 -9.0990 -6.4641 -6.4641 -5.7852 -5.7852 -5.6978 -5.6978 -5.5387 -5.5387 -0.5877 -0.5877 -0.0010 -0.0010 1.5211 1.5211 1.9968 1.9968 2.0701 2.0701 2.5796 2.5796 2.6930 2.6930 2.7938 2.7938 3.1300 3.1300 3.1746 3.1746 3.4999 3.4999 3.9651 3.9651 6.3806 6.3806 7.5665 7.5665 7.6405 7.6405 7.8634 7.8634 8.6379 8.6379 k =-0.3077 0.1665 0.5685 ( 7708 PWs) bands (ev): -25.9043 -25.9043 -25.8259 -25.8259 -9.8675 -9.8675 -9.5268 -9.5268 -9.3345 -9.3345 -9.3132 -9.3132 -9.1859 -9.1859 -9.0991 -9.0991 -6.4518 -6.4518 -5.7809 -5.7809 -5.7028 -5.7028 -5.5531 -5.5531 -0.6017 -0.6017 0.0049 0.0049 1.5464 1.5464 1.9829 1.9829 2.1233 2.1233 2.6105 2.6105 2.6957 2.6957 2.7896 2.7896 3.1320 3.1320 3.1591 3.1591 3.4349 3.4349 3.9897 3.9897 6.3129 6.3129 7.5492 7.5492 7.6864 7.6864 7.8591 7.8591 8.6321 8.6321 k =-0.3269 0.1769 0.5685 ( 7692 PWs) bands (ev): -25.9043 -25.9043 -25.8259 -25.8259 -9.8677 -9.8677 -9.5271 -9.5271 -9.3344 -9.3344 -9.3137 -9.3137 -9.1857 -9.1857 -9.0991 -9.0991 -6.4395 -6.4395 -5.7768 -5.7768 -5.7085 -5.7085 -5.5664 -5.5664 -0.6148 -0.6148 0.0108 0.0108 1.5707 1.5707 1.9732 1.9732 2.1749 2.1749 2.6261 2.6261 2.7091 2.7091 2.7872 2.7872 3.1076 3.1076 3.1701 3.1701 3.3726 3.3726 4.0134 4.0134 6.2488 6.2488 7.5274 7.5274 7.7306 7.7306 7.8564 7.8564 8.6323 8.6323 k =-0.3462 0.1873 0.5685 ( 7680 PWs) bands (ev): -25.9043 -25.9043 -25.8259 -25.8259 -9.8679 -9.8679 -9.5275 -9.5275 -9.3343 -9.3343 -9.3142 -9.3142 -9.1856 -9.1856 -9.0992 -9.0992 -6.4275 -6.4275 -5.7730 -5.7730 -5.7148 -5.7148 -5.5783 -5.5783 -0.6268 -0.6268 0.0165 0.0165 1.5931 1.5931 1.9687 1.9687 2.2229 2.2229 2.6280 2.6280 2.7318 2.7318 2.7869 2.7869 3.0783 3.0783 3.1857 3.1857 3.3145 3.3145 4.0357 4.0357 6.1889 6.1889 7.5060 7.5060 7.7684 7.7684 7.8548 7.8548 8.5636 8.5636 k =-0.3654 0.1977 0.5685 ( 7680 PWs) bands (ev): -25.9043 -25.9043 -25.8259 -25.8259 -9.8680 -9.8680 -9.5278 -9.5278 -9.3342 -9.3342 -9.3146 -9.3146 -9.1855 -9.1855 -9.0992 -9.0992 -6.4160 -6.4160 -5.7694 -5.7694 -5.7217 -5.7217 -5.5887 -5.5887 -0.6377 -0.6377 0.0218 0.0218 1.6127 1.6127 1.9700 1.9700 2.2648 2.2648 2.6258 2.6258 2.7550 2.7550 2.7899 2.7899 3.0492 3.0492 3.1960 3.1960 3.2655 3.2655 4.0563 4.0563 6.1340 6.1340 7.4864 7.4864 7.7990 7.7990 7.8542 7.8542 8.4574 8.4574 k =-0.3846 0.2081 0.5685 ( 7680 PWs) bands (ev): -25.9043 -25.9043 -25.8259 -25.8259 -9.8682 -9.8682 -9.5281 -9.5281 -9.3342 -9.3342 -9.3150 -9.3150 -9.1855 -9.1855 -9.0992 -9.0992 -6.4053 -6.4053 -5.7663 -5.7663 -5.7289 -5.7289 -5.5974 -5.5974 -0.6474 -0.6474 0.0266 0.0266 1.6290 1.6290 1.9776 1.9776 2.2967 2.2967 2.6270 2.6270 2.7706 2.7706 2.7994 2.7994 3.0217 3.0217 3.1769 3.1769 3.2486 3.2486 4.0749 4.0749 6.0849 6.0849 7.4694 7.4694 7.8223 7.8223 7.8544 7.8544 8.3595 8.3595 k =-0.4038 0.2185 0.5685 ( 7680 PWs) bands (ev): -25.9043 -25.9043 -25.8259 -25.8259 -9.8683 -9.8683 -9.5283 -9.5283 -9.3341 -9.3341 -9.3153 -9.3153 -9.1854 -9.1854 -9.0993 -9.0993 -6.3955 -6.3955 -5.7635 -5.7635 -5.7360 -5.7360 -5.6045 -5.6045 -0.6557 -0.6557 0.0310 0.0310 1.6414 1.6414 1.9914 1.9914 2.3150 2.3150 2.6366 2.6366 2.7779 2.7779 2.8147 2.8147 2.9971 2.9971 3.1313 3.1313 3.2595 3.2595 4.0911 4.0911 6.0421 6.0421 7.4553 7.4553 7.8389 7.8389 7.8560 7.8560 8.2725 8.2725 k =-0.4231 0.2289 0.5685 ( 7664 PWs) bands (ev): -25.9043 -25.9043 -25.8259 -25.8259 -9.8685 -9.8685 -9.5285 -9.5285 -9.3341 -9.3341 -9.3156 -9.3156 -9.1853 -9.1853 -9.0993 -9.0993 -6.3871 -6.3871 -5.7613 -5.7613 -5.7425 -5.7425 -5.6100 -5.6100 -0.6625 -0.6625 0.0346 0.0346 1.6502 1.6502 2.0103 2.0103 2.3187 2.3187 2.6565 2.6565 2.7828 2.7828 2.8297 2.8297 2.9761 2.9761 3.0819 3.0819 3.2746 3.2746 4.1048 4.1048 6.0063 6.0063 7.4442 7.4442 7.8488 7.8488 7.8600 7.8600 8.1977 8.1977 k =-0.4423 0.2393 0.5685 ( 7668 PWs) bands (ev): -25.9043 -25.9043 -25.8259 -25.8259 -9.8686 -9.8686 -9.5287 -9.5287 -9.3340 -9.3340 -9.3158 -9.3158 -9.1853 -9.1853 -9.0993 -9.0993 -6.3802 -6.3802 -5.7596 -5.7596 -5.7481 -5.7481 -5.6142 -5.6142 -0.6679 -0.6679 0.0376 0.0376 1.6560 1.6560 2.0323 2.0323 2.3104 2.3104 2.6837 2.6837 2.7888 2.7888 2.8417 2.8417 2.9594 2.9594 3.0333 3.0333 3.2885 3.2885 4.1156 4.1156 5.9779 5.9779 7.4361 7.4361 7.8535 7.8535 7.8662 7.8662 8.1363 8.1363 k =-0.4615 0.2497 0.5685 ( 7662 PWs) bands (ev): -25.9043 -25.9043 -25.8258 -25.8258 -9.8686 -9.8686 -9.5288 -9.5288 -9.3340 -9.3340 -9.3159 -9.3159 -9.1852 -9.1852 -9.0993 -9.0993 -6.3750 -6.3750 -5.7586 -5.7586 -5.7522 -5.7522 -5.6170 -5.6170 -0.6718 -0.6718 0.0397 0.0397 1.6594 1.6594 2.0542 2.0542 2.2960 2.2960 2.7111 2.7111 2.7987 2.7987 2.8500 2.8500 2.9473 2.9473 2.9877 2.9877 3.2993 3.2993 4.1235 4.1235 5.9574 5.9574 7.4307 7.4307 7.8563 7.8563 7.8718 7.8718 8.0900 8.0900 k =-0.4808 0.2601 0.5685 ( 7670 PWs) bands (ev): -25.9043 -25.9043 -25.8258 -25.8258 -9.8687 -9.8687 -9.5289 -9.5289 -9.3340 -9.3340 -9.3160 -9.3160 -9.1852 -9.1852 -9.0993 -9.0993 -6.3719 -6.3719 -5.7585 -5.7585 -5.7542 -5.7542 -5.6187 -5.6187 -0.6742 -0.6742 0.0410 0.0410 1.6612 1.6612 2.0713 2.0713 2.2825 2.2825 2.7302 2.7302 2.8143 2.8143 2.8546 2.8546 2.9398 2.9398 2.9499 2.9499 3.3062 3.3062 4.1282 4.1282 5.9449 5.9449 7.4277 7.4277 7.8582 7.8582 7.8758 7.8758 8.0607 8.0607 k =-0.5000 0.2705 0.5685 ( 7668 PWs) bands (ev): -25.9043 -25.9043 -25.8258 -25.8258 -9.8687 -9.8687 -9.5289 -9.5289 -9.3340 -9.3340 -9.3161 -9.3161 -9.1852 -9.1852 -9.0993 -9.0993 -6.3708 -6.3708 -5.7588 -5.7588 -5.7547 -5.7547 -5.6192 -5.6192 -0.6750 -0.6750 0.0415 0.0415 1.6618 1.6618 2.0780 2.0780 2.2769 2.2769 2.7364 2.7364 2.8246 2.8246 2.8559 2.8559 2.9313 2.9313 2.9387 2.9387 3.3085 3.3085 4.1298 4.1298 5.9407 5.9407 7.4267 7.4267 7.8588 7.8588 7.8773 7.8773 8.0505 8.0505 k =-0.5000 0.2705 0.5685 ( 7668 PWs) bands (ev): -25.9043 -25.9043 -25.8258 -25.8258 -9.8687 -9.8687 -9.5289 -9.5289 -9.3340 -9.3340 -9.3161 -9.3161 -9.1852 -9.1852 -9.0993 -9.0993 -6.3708 -6.3708 -5.7588 -5.7588 -5.7547 -5.7547 -5.6192 -5.6192 -0.6750 -0.6750 0.0415 0.0415 1.6618 1.6618 2.0780 2.0780 2.2769 2.2769 2.7364 2.7364 2.8246 2.8246 2.8559 2.8559 2.9313 2.9313 2.9387 2.9387 3.3085 3.3085 4.1298 4.1298 5.9407 5.9407 7.4267 7.4267 7.8588 7.8588 7.8773 7.8773 8.0505 8.0505 k =-0.4861 0.2630 0.5527 ( 7672 PWs) bands (ev): -25.9043 -25.9043 -25.8259 -25.8259 -9.8687 -9.8687 -9.5289 -9.5289 -9.3340 -9.3340 -9.3160 -9.3160 -9.1852 -9.1852 -9.0993 -9.0993 -6.3719 -6.3719 -5.7585 -5.7585 -5.7543 -5.7543 -5.6187 -5.6187 -0.6741 -0.6741 0.0410 0.0410 1.6612 1.6612 2.0710 2.0710 2.2828 2.2828 2.7302 2.7302 2.8132 2.8132 2.8547 2.8547 2.9416 2.9416 2.9491 2.9491 3.3061 3.3061 4.1282 4.1282 5.9451 5.9451 7.4277 7.4277 7.8570 7.8570 7.8772 7.8772 8.0609 8.0609 k =-0.4722 0.2555 0.5369 ( 7666 PWs) bands (ev): -25.9043 -25.9043 -25.8258 -25.8258 -9.8686 -9.8686 -9.5288 -9.5288 -9.3340 -9.3340 -9.3159 -9.3159 -9.1852 -9.1852 -9.0993 -9.0993 -6.3752 -6.3752 -5.7583 -5.7583 -5.7523 -5.7523 -5.6170 -5.6170 -0.6717 -0.6717 0.0397 0.0397 1.6592 1.6592 2.0530 2.0530 2.2973 2.2973 2.7137 2.7137 2.7913 2.7913 2.8501 2.8501 2.9525 2.9525 2.9876 2.9876 3.2988 3.2988 4.1232 4.1232 5.9581 5.9581 7.4308 7.4308 7.8457 7.8457 7.8853 7.8853 8.0888 8.0888 k =-0.4583 0.2480 0.5211 ( 7678 PWs) bands (ev): -25.9043 -25.9043 -25.8259 -25.8259 -9.8685 -9.8685 -9.5287 -9.5287 -9.3340 -9.3340 -9.3158 -9.3158 -9.1853 -9.1853 -9.0993 -9.0993 -6.3807 -6.3807 -5.7587 -5.7587 -5.7483 -5.7483 -5.6142 -5.6142 -0.6676 -0.6676 0.0374 0.0374 1.6553 1.6553 2.0297 2.0297 2.3137 2.3137 2.6929 2.6929 2.7677 2.7677 2.8420 2.8420 2.9700 2.9700 3.0347 3.0347 3.2869 3.2869 4.1151 4.1151 5.9795 5.9795 7.4359 7.4359 7.8279 7.8279 7.9035 7.9035 8.1291 8.1291 k =-0.4444 0.2405 0.5053 ( 7671 PWs) bands (ev): -25.9043 -25.9043 -25.8259 -25.8259 -9.8685 -9.8685 -9.5285 -9.5285 -9.3341 -9.3341 -9.3155 -9.3155 -9.1853 -9.1853 -9.0993 -9.0993 -6.3882 -6.3882 -5.7597 -5.7597 -5.7424 -5.7424 -5.6104 -5.6104 -0.6620 -0.6620 0.0343 0.0343 1.6482 1.6482 2.0061 2.0061 2.3259 2.3259 2.6750 2.6750 2.7432 2.7432 2.8303 2.8303 2.9937 2.9937 3.0855 3.0855 3.2710 3.2710 4.1041 4.1041 6.0090 6.0090 7.4430 7.4430 7.8085 7.8085 7.9295 7.9295 8.1784 8.1784 k =-0.4306 0.2329 0.4895 ( 7661 PWs) bands (ev): -25.9043 -25.9043 -25.8259 -25.8259 -9.8683 -9.8683 -9.5283 -9.5283 -9.3341 -9.3341 -9.3152 -9.3152 -9.1854 -9.1854 -9.0992 -9.0992 -6.3977 -6.3977 -5.7609 -5.7609 -5.7348 -5.7348 -5.6057 -5.6057 -0.6547 -0.6547 0.0303 0.0303 1.6368 1.6368 1.9860 1.9860 2.3287 2.3287 2.6641 2.6641 2.7181 2.7181 2.8157 2.8157 3.0230 3.0230 3.1367 3.1367 3.2526 3.2526 4.0905 4.0905 6.0462 6.0462 7.4519 7.4519 7.7891 7.7891 7.9624 7.9624 8.2350 8.2350 k =-0.4167 0.2254 0.4737 ( 7665 PWs) bands (ev): -25.9043 -25.9043 -25.8259 -25.8259 -9.8682 -9.8682 -9.5280 -9.5280 -9.3342 -9.3342 -9.3149 -9.3149 -9.1855 -9.1855 -9.0992 -9.0992 -6.4089 -6.4089 -5.7624 -5.7624 -5.7258 -5.7258 -5.6002 -5.6002 -0.6459 -0.6459 0.0256 0.0256 1.6195 1.6195 1.9720 1.9720 2.3198 2.3198 2.6552 2.6552 2.6990 2.6990 2.7996 2.7996 3.0573 3.0573 3.1788 3.1788 3.2408 3.2408 4.0746 4.0746 6.0907 6.0907 7.4626 7.4626 7.7702 7.7702 8.0016 8.0016 8.2980 8.2980 k =-0.4028 0.2179 0.4579 ( 7685 PWs) bands (ev): -25.9043 -25.9043 -25.8259 -25.8259 -9.8680 -9.8680 -9.5276 -9.5276 -9.3342 -9.3342 -9.3145 -9.3145 -9.1856 -9.1856 -9.0992 -9.0992 -6.4217 -6.4217 -5.7639 -5.7639 -5.7155 -5.7155 -5.5938 -5.5938 -0.6357 -0.6357 0.0203 0.0203 1.5958 1.5958 1.9656 1.9656 2.3000 2.3000 2.6324 2.6324 2.6980 2.6980 2.7857 2.7857 3.0959 3.0959 3.1786 3.1786 3.2683 3.2683 4.0569 4.0569 6.1418 6.1418 7.4747 7.4747 7.7515 7.7515 8.0467 8.0467 8.3666 8.3666 k =-0.3889 0.2104 0.4422 ( 7687 PWs) bands (ev): -25.9043 -25.9043 -25.8259 -25.8259 -9.8678 -9.8678 -9.5273 -9.5273 -9.3343 -9.3343 -9.3140 -9.3140 -9.1857 -9.1857 -9.0991 -9.0991 -6.4360 -6.4360 -5.7655 -5.7655 -5.7041 -5.7041 -5.5869 -5.5869 -0.6239 -0.6239 0.0144 0.0144 1.5658 1.5658 1.9673 1.9673 2.2722 2.2722 2.5982 2.5982 2.7003 2.7003 2.7840 2.7840 3.1379 3.1379 3.1525 3.1525 3.3194 3.3194 4.0378 4.0378 6.1990 6.1990 7.4879 7.4879 7.7328 7.7328 8.0973 8.0973 8.4401 8.4401 k =-0.3750 0.2029 0.4264 ( 7699 PWs) bands (ev): -25.9043 -25.9043 -25.8259 -25.8259 -9.8676 -9.8676 -9.5268 -9.5268 -9.3344 -9.3344 -9.3135 -9.3135 -9.1858 -9.1858 -9.0991 -9.0991 -6.4515 -6.4515 -5.7670 -5.7670 -5.6917 -5.6917 -5.5793 -5.5793 -0.6108 -0.6108 0.0080 0.0080 1.5302 1.5302 1.9761 1.9761 2.2395 2.2395 2.5592 2.5592 2.6878 2.6878 2.8038 2.8038 3.1195 3.1195 3.1836 3.1836 3.3741 3.3741 4.0178 4.0178 6.2617 6.2617 7.5018 7.5018 7.7135 7.7135 8.1533 8.1533 8.5106 8.5106 k =-0.3611 0.1954 0.4106 ( 7721 PWs) bands (ev): -25.9044 -25.9044 -25.8259 -25.8259 -9.8674 -9.8674 -9.5264 -9.5264 -9.3345 -9.3345 -9.3129 -9.3129 -9.1859 -9.1859 -9.0991 -9.0991 -6.4681 -6.4681 -5.7685 -5.7685 -5.6784 -5.6784 -5.5712 -5.5712 -0.5964 -0.5964 0.0013 0.0013 1.4905 1.4905 1.9909 1.9909 2.2040 2.2040 2.5175 2.5175 2.6641 2.6641 2.8382 2.8382 3.0842 3.0842 3.2315 3.2315 3.4291 3.4291 3.9977 3.9977 6.3293 6.3293 7.5160 7.5160 7.6933 7.6933 8.2144 8.2144 8.4927 8.4927 k =-0.3472 0.1879 0.3948 ( 7733 PWs) bands (ev): -25.9044 -25.9044 -25.8260 -25.8260 -9.8671 -9.8671 -9.5258 -9.5258 -9.3346 -9.3346 -9.3122 -9.3122 -9.1861 -9.1861 -9.0990 -9.0990 -6.4857 -6.4857 -5.7699 -5.7699 -5.6644 -5.6644 -5.5627 -5.5627 -0.5808 -0.5808 -0.0057 -0.0057 1.4476 1.4476 2.0099 2.0099 2.1676 2.1676 2.4739 2.4739 2.6356 2.6356 2.8790 2.8790 3.0477 3.0477 3.2815 3.2815 3.4833 3.4833 3.9781 3.9781 6.4014 6.4014 7.5301 7.5301 7.6723 7.6723 8.2805 8.2805 8.4563 8.4563 k =-0.3333 0.1803 0.3790 ( 7727 PWs) bands (ev): -25.9044 -25.9044 -25.8259 -25.8259 -9.8668 -9.8668 -9.5253 -9.5253 -9.3347 -9.3347 -9.3115 -9.3115 -9.1862 -9.1862 -9.0989 -9.0989 -6.5040 -6.5040 -5.7711 -5.7711 -5.6498 -5.6498 -5.5538 -5.5538 -0.5640 -0.5640 -0.0128 -0.0128 1.4026 1.4026 2.0307 2.0307 2.1316 2.1316 2.4293 2.4293 2.6051 2.6051 2.9212 2.9212 3.0126 3.0126 3.3328 3.3328 3.5358 3.5358 3.9598 3.9598 6.4773 6.4773 7.5433 7.5433 7.6511 7.6511 8.3505 8.3505 8.4237 8.4237 k =-0.3194 0.1728 0.3632 ( 7723 PWs) bands (ev): -25.9044 -25.9044 -25.8259 -25.8259 -9.8665 -9.8665 -9.5247 -9.5247 -9.3348 -9.3348 -9.3108 -9.3108 -9.1863 -9.1863 -9.0989 -9.0989 -6.5229 -6.5229 -5.7722 -5.7722 -5.6348 -5.6348 -5.5447 -5.5447 -0.5461 -0.5461 -0.0198 -0.0198 1.3564 1.3564 2.0481 2.0481 2.1003 2.1003 2.3844 2.3844 2.5743 2.5743 2.9474 2.9474 2.9956 2.9956 3.3852 3.3852 3.5854 3.5854 3.9442 3.9442 6.5566 6.5566 7.5535 7.5535 7.6323 7.6323 8.3873 8.3873 8.4318 8.4318 k =-0.3056 0.1653 0.3474 ( 7719 PWs) bands (ev): -25.9044 -25.9044 -25.8259 -25.8259 -9.8662 -9.8662 -9.5240 -9.5240 -9.3349 -9.3349 -9.3100 -9.3100 -9.1865 -9.1865 -9.0988 -9.0988 -6.5423 -6.5423 -5.7731 -5.7731 -5.6194 -5.6194 -5.5353 -5.5353 -0.5273 -0.5273 -0.0266 -0.0266 1.3094 1.3094 2.0414 2.0414 2.0921 2.0921 2.3400 2.3400 2.5446 2.5446 2.9253 2.9253 3.0291 3.0291 3.4378 3.4378 3.6305 3.6305 3.9329 3.9329 6.6387 6.6387 7.5554 7.5554 7.6219 7.6219 8.3601 8.3601 8.5097 8.5097 k =-0.2917 0.1578 0.3316 ( 7717 PWs) bands (ev): -25.9044 -25.9044 -25.8259 -25.8259 -9.8659 -9.8659 -9.5233 -9.5233 -9.3350 -9.3350 -9.3091 -9.3091 -9.1866 -9.1866 -9.0987 -9.0987 -6.5619 -6.5619 -5.7739 -5.7739 -5.6039 -5.6039 -5.5257 -5.5257 -0.5077 -0.5077 -0.0332 -0.0332 1.2622 1.2622 2.0117 2.0117 2.1027 2.1027 2.2973 2.2973 2.5174 2.5174 2.8939 2.8939 3.0748 3.0748 3.4902 3.4902 3.6691 3.6691 3.9285 3.9285 6.7232 6.7232 7.5445 7.5445 7.6256 7.6256 8.3299 8.3299 8.5937 8.5937 k =-0.2778 0.1503 0.3158 ( 7733 PWs) bands (ev): -25.9044 -25.9044 -25.8259 -25.8259 -9.8656 -9.8656 -9.5226 -9.5226 -9.3352 -9.3352 -9.3083 -9.3083 -9.1868 -9.1868 -9.0986 -9.0986 -6.5817 -6.5817 -5.7745 -5.7745 -5.5882 -5.5882 -5.5161 -5.5161 -0.4873 -0.4873 -0.0394 -0.0394 1.2151 1.2151 1.9787 1.9787 2.1084 2.1084 2.2582 2.2582 2.4942 2.4942 2.8657 2.8657 3.1217 3.1217 3.5412 3.5412 3.6989 3.6989 3.9339 3.9339 6.8097 6.8097 7.5262 7.5262 7.6393 7.6393 8.2953 8.2953 8.6814 8.6814 k =-0.2639 0.1428 0.3000 ( 7727 PWs) bands (ev): -25.9044 -25.9044 -25.8259 -25.8259 -9.8653 -9.8653 -9.5219 -9.5219 -9.3353 -9.3353 -9.3073 -9.3073 -9.1870 -9.1870 -9.0985 -9.0985 -6.6015 -6.6015 -5.7749 -5.7749 -5.5725 -5.5725 -5.5064 -5.5064 -0.4663 -0.4663 -0.0451 -0.0451 1.1686 1.1686 1.9460 1.9460 2.1016 2.1016 2.2244 2.2244 2.4754 2.4754 2.8441 2.8441 3.1680 3.1680 3.5890 3.5890 3.7197 3.7197 3.9507 3.9507 6.8977 6.8977 7.5069 7.5069 7.6581 7.6581 8.2533 8.2533 8.7714 8.7714 k =-0.2500 0.1353 0.2842 ( 7735 PWs) bands (ev): -25.9044 -25.9044 -25.8259 -25.8259 -9.8650 -9.8650 -9.5212 -9.5212 -9.3354 -9.3354 -9.3064 -9.3064 -9.1871 -9.1871 -9.0985 -9.0985 -6.6212 -6.6212 -5.7752 -5.7752 -5.5569 -5.5569 -5.4967 -5.4967 -0.4448 -0.4448 -0.0502 -0.0502 1.1229 1.1229 1.9143 1.9143 2.0806 2.0806 2.1956 2.1956 2.4600 2.4600 2.8323 2.8323 3.2131 3.2131 3.6293 3.6293 3.7368 3.7368 3.9777 3.9777 6.9867 6.9867 7.4897 7.4897 7.6803 7.6803 8.2015 8.2015 8.8282 8.8282 k =-0.2361 0.1277 0.2685 ( 7731 PWs) bands (ev): -25.9044 -25.9044 -25.8259 -25.8259 -9.8647 -9.8647 -9.5204 -9.5204 -9.3355 -9.3355 -9.3054 -9.3054 -9.1873 -9.1873 -9.0984 -9.0984 -6.6407 -6.6407 -5.7754 -5.7754 -5.5415 -5.5415 -5.4871 -5.4871 -0.4230 -0.4230 -0.0546 -0.0546 1.0782 1.0782 1.8840 1.8840 2.0493 2.0493 2.1684 2.1684 2.4451 2.4451 2.8331 2.8331 3.2565 3.2565 3.6547 3.6547 3.7606 3.7606 4.0114 4.0114 7.0762 7.0762 7.4764 7.4764 7.7057 7.7057 8.1390 8.1390 8.7511 8.7511 k =-0.2222 0.1202 0.2527 ( 7723 PWs) bands (ev): -25.9044 -25.9044 -25.8259 -25.8259 -9.8643 -9.8643 -9.5196 -9.5196 -9.3356 -9.3356 -9.3044 -9.3044 -9.1874 -9.1874 -9.0983 -9.0983 -6.6597 -6.6597 -5.7754 -5.7754 -5.5264 -5.5264 -5.4777 -5.4777 -0.4011 -0.4011 -0.0584 -0.0584 1.0348 1.0348 1.8551 1.8551 2.0128 2.0128 2.1401 2.1401 2.4276 2.4276 2.8474 2.8474 3.2978 3.2978 3.6629 3.6629 3.7963 3.7963 4.0486 4.0486 7.1654 7.1654 7.4685 7.4685 7.7343 7.7343 8.0665 8.0665 8.6711 8.6711 k =-0.2083 0.1127 0.2369 ( 7727 PWs) bands (ev): -25.9044 -25.9044 -25.8259 -25.8259 -9.8640 -9.8640 -9.5189 -9.5189 -9.3358 -9.3358 -9.3035 -9.3035 -9.1876 -9.1876 -9.0982 -9.0982 -6.6783 -6.6783 -5.7753 -5.7753 -5.5117 -5.5117 -5.4684 -5.4684 -0.3791 -0.3791 -0.0615 -0.0615 0.9930 0.9930 1.8278 1.8278 1.9744 1.9744 2.1098 2.1098 2.4060 2.4060 2.8746 2.8746 3.3368 3.3368 3.6605 3.6605 3.8392 3.8392 4.0872 4.0872 7.2528 7.2528 7.4676 7.4676 7.7661 7.7661 7.9858 7.9858 8.5926 8.5926 k =-0.1944 0.1052 0.2211 ( 7735 PWs) bands (ev): -25.9045 -25.9045 -25.8259 -25.8259 -9.8637 -9.8637 -9.5181 -9.5181 -9.3359 -9.3359 -9.3025 -9.3025 -9.1877 -9.1877 -9.0981 -9.0981 -6.6963 -6.6963 -5.7751 -5.7751 -5.4975 -5.4975 -5.4594 -5.4594 -0.3573 -0.3573 -0.0639 -0.0639 0.9528 0.9528 1.8021 1.8021 1.9359 1.9359 2.0782 2.0782 2.3806 2.3806 2.9120 2.9120 3.3730 3.3730 3.6536 3.6536 3.8844 3.8844 4.1256 4.1256 7.3352 7.3352 7.4770 7.4770 7.8013 7.8013 7.8997 7.8997 8.5166 8.5166 k =-0.1806 0.0977 0.2053 ( 7731 PWs) bands (ev): -25.9045 -25.9045 -25.8259 -25.8259 -9.8635 -9.8635 -9.5173 -9.5173 -9.3360 -9.3360 -9.3015 -9.3015 -9.1879 -9.1879 -9.0980 -9.0980 -6.7135 -6.7135 -5.7748 -5.7748 -5.4838 -5.4838 -5.4507 -5.4507 -0.3358 -0.3358 -0.0656 -0.0656 0.9145 0.9145 1.7781 1.7781 1.8982 1.8982 2.0461 2.0461 2.3526 2.3526 2.9569 2.9569 3.4062 3.4062 3.6448 3.6448 3.9300 3.9300 4.1630 4.1630 7.4028 7.4028 7.5056 7.5056 7.8095 7.8095 7.8414 7.8414 8.4440 8.4440 k =-0.1667 0.0902 0.1895 ( 7719 PWs) bands (ev): -25.9044 -25.9044 -25.8259 -25.8259 -9.8632 -9.8632 -9.5166 -9.5166 -9.3361 -9.3361 -9.3006 -9.3006 -9.1880 -9.1880 -9.0979 -9.0979 -6.7299 -6.7299 -5.7745 -5.7745 -5.4708 -5.4708 -5.4424 -5.4424 -0.3149 -0.3149 -0.0666 -0.0666 0.8783 0.8783 1.7558 1.7558 1.8620 1.8620 2.0142 2.0142 2.3233 2.3233 3.0068 3.0068 3.4363 3.4363 3.6355 3.6355 3.9748 3.9748 4.1988 4.1988 7.4429 7.4429 7.5626 7.5626 7.7234 7.7234 7.8833 7.8833 8.3751 8.3751 k =-0.1528 0.0827 0.1737 ( 7723 PWs) bands (ev): -25.9044 -25.9044 -25.8259 -25.8259 -9.8629 -9.8629 -9.5159 -9.5159 -9.3362 -9.3362 -9.2997 -9.2997 -9.1882 -9.1882 -9.0978 -9.0978 -6.7454 -6.7454 -5.7741 -5.7741 -5.4585 -5.4585 -5.4345 -5.4345 -0.2946 -0.2946 -0.0671 -0.0671 0.8444 0.8444 1.7352 1.7352 1.8277 1.8277 1.9832 1.9832 2.2936 2.2936 3.0595 3.0595 3.4631 3.4631 3.6262 3.6262 4.0185 4.0185 4.2327 4.2327 7.4607 7.4607 7.6174 7.6174 7.6655 7.6655 7.9295 7.9295 8.3106 8.3106 k =-0.1389 0.0751 0.1579 ( 7719 PWs) bands (ev): -25.9044 -25.9044 -25.8259 -25.8259 -9.8627 -9.8627 -9.5152 -9.5152 -9.3363 -9.3363 -9.2988 -9.2988 -9.1883 -9.1883 -9.0977 -9.0977 -6.7598 -6.7598 -5.7736 -5.7736 -5.4471 -5.4471 -5.4271 -5.4271 -0.2752 -0.2752 -0.0670 -0.0670 0.8128 0.8128 1.7163 1.7163 1.7955 1.7955 1.9535 1.9535 2.2646 2.2646 3.1133 3.1133 3.4864 3.4864 3.6175 3.6175 4.0607 4.0607 4.2643 4.2643 7.4447 7.4447 7.5932 7.5932 7.7258 7.7258 7.9792 7.9792 8.2510 8.2510 k =-0.1250 0.0676 0.1421 ( 7721 PWs) bands (ev): -25.9045 -25.9045 -25.8259 -25.8259 -9.8624 -9.8624 -9.5146 -9.5146 -9.3363 -9.3363 -9.2980 -9.2980 -9.1884 -9.1884 -9.0976 -9.0976 -6.7732 -6.7732 -5.7732 -5.7732 -5.4365 -5.4365 -5.4202 -5.4202 -0.2569 -0.2569 -0.0664 -0.0664 0.7837 0.7837 1.6992 1.6992 1.7657 1.7657 1.9255 1.9255 2.2368 2.2368 3.1668 3.1668 3.5061 3.5061 3.6094 3.6094 4.1011 4.1011 4.2936 4.2936 7.3835 7.3835 7.6038 7.6038 7.8020 7.8020 8.0313 8.0313 8.1976 8.1976 k =-0.1111 0.0601 0.1263 ( 7733 PWs) bands (ev): -25.9045 -25.9045 -25.8259 -25.8259 -9.8622 -9.8622 -9.5140 -9.5140 -9.3364 -9.3364 -9.2972 -9.2972 -9.1885 -9.1885 -9.0975 -9.0975 -6.7854 -6.7854 -5.7727 -5.7727 -5.4268 -5.4268 -5.4139 -5.4139 -0.2399 -0.2399 -0.0655 -0.0655 0.7574 0.7574 1.6837 1.6837 1.7386 1.7386 1.8996 1.8996 2.2109 2.2109 3.2189 3.2189 3.5221 3.5221 3.6020 3.6020 4.1395 4.1395 4.3204 4.3204 7.3057 7.3057 7.6395 7.6395 7.8754 7.8754 8.0809 8.0809 8.1553 8.1553 k =-0.0972 0.0526 0.1105 ( 7737 PWs) bands (ev): -25.9045 -25.9045 -25.8259 -25.8259 -9.8621 -9.8621 -9.5135 -9.5135 -9.3365 -9.3365 -9.2965 -9.2965 -9.1886 -9.1886 -9.0974 -9.0974 -6.7963 -6.7963 -5.7723 -5.7723 -5.4182 -5.4182 -5.4082 -5.4082 -0.2243 -0.2243 -0.0644 -0.0644 0.7338 0.7338 1.6699 1.6699 1.7145 1.7145 1.8761 1.8761 2.1871 2.1871 3.2687 3.2687 3.5344 3.5344 3.5955 3.5955 4.1754 4.1754 4.3445 4.3445 7.2271 7.2271 7.6867 7.6867 7.9429 7.9429 8.0879 8.0879 8.1644 8.1644 k =-0.0833 0.0451 0.0947 ( 7727 PWs) bands (ev): -25.9045 -25.9045 -25.8259 -25.8259 -9.8619 -9.8619 -9.5130 -9.5130 -9.3366 -9.3366 -9.2959 -9.2959 -9.1887 -9.1887 -9.0974 -9.0974 -6.8059 -6.8059 -5.7719 -5.7719 -5.4106 -5.4106 -5.4032 -5.4032 -0.2103 -0.2103 -0.0631 -0.0631 0.7131 0.7131 1.6578 1.6578 1.6934 1.6934 1.8553 1.8553 2.1659 2.1659 3.3152 3.3152 3.5430 3.5430 3.5897 3.5897 4.2083 4.2083 4.3661 4.3661 7.1532 7.1532 7.7415 7.7415 7.9980 7.9980 8.0631 8.0631 8.2176 8.2176 k =-0.0694 0.0376 0.0790 ( 7731 PWs) bands (ev): -25.9045 -25.9045 -25.8259 -25.8259 -9.8617 -9.8617 -9.5126 -9.5126 -9.3366 -9.3366 -9.2954 -9.2954 -9.1887 -9.1887 -9.0973 -9.0973 -6.8141 -6.8141 -5.7715 -5.7715 -5.4040 -5.4040 -5.3989 -5.3989 -0.1982 -0.1982 -0.0618 -0.0618 0.6954 0.6954 1.6471 1.6471 1.6758 1.6758 1.8372 1.8372 2.1475 2.1475 3.3581 3.3581 3.5479 3.5479 3.5846 3.5846 4.2377 4.2377 4.3849 4.3849 7.0866 7.0866 7.8021 7.8021 8.0070 8.0070 8.0775 8.0775 8.2741 8.2741 k =-0.0556 0.0301 0.0632 ( 7719 PWs) bands (ev): -25.9045 -25.9045 -25.8259 -25.8259 -9.8616 -9.8616 -9.5122 -9.5122 -9.3367 -9.3367 -9.2949 -9.2949 -9.1888 -9.1888 -9.0973 -9.0973 -6.8209 -6.8209 -5.7712 -5.7712 -5.3986 -5.3986 -5.3954 -5.3954 -0.1880 -0.1880 -0.0606 -0.0606 0.6808 0.6808 1.6378 1.6378 1.6616 1.6616 1.8222 1.8222 2.1321 2.1321 3.3967 3.3967 3.5491 3.5491 3.5802 3.5802 4.2628 4.2628 4.4009 4.4009 7.0292 7.0292 7.8671 7.8671 7.9858 7.9858 8.1180 8.1180 8.3266 8.3266 k =-0.0417 0.0225 0.0474 ( 7715 PWs) bands (ev): -25.9045 -25.9045 -25.8259 -25.8259 -9.8615 -9.8615 -9.5119 -9.5119 -9.3367 -9.3367 -9.2945 -9.2945 -9.1888 -9.1888 -9.0972 -9.0972 -6.8262 -6.8262 -5.7709 -5.7709 -5.3944 -5.3944 -5.3926 -5.3926 -0.1800 -0.1800 -0.0596 -0.0596 0.6694 0.6694 1.6301 1.6301 1.6511 1.6511 1.8104 1.8104 2.1200 2.1200 3.4308 3.4308 3.5465 3.5465 3.5767 3.5767 4.2830 4.2830 4.4138 4.4138 6.9828 6.9828 7.9350 7.9350 7.9660 7.9660 8.1510 8.1510 8.3694 8.3694 k =-0.0278 0.0150 0.0316 ( 7701 PWs) bands (ev): -25.9044 -25.9044 -25.8259 -25.8259 -9.8615 -9.8615 -9.5117 -9.5117 -9.3367 -9.3367 -9.2943 -9.2943 -9.1889 -9.1889 -9.0972 -9.0972 -6.8301 -6.8301 -5.7707 -5.7707 -5.3914 -5.3914 -5.3906 -5.3906 -0.1741 -0.1741 -0.0588 -0.0588 0.6612 0.6612 1.6241 1.6241 1.6440 1.6440 1.8019 1.8019 2.1113 2.1113 3.4599 3.4599 3.5401 3.5401 3.5741 3.5741 4.2978 4.2978 4.4234 4.4234 6.9485 6.9485 7.9511 7.9511 8.0038 8.0038 8.1687 8.1687 8.3902 8.3902 k =-0.0139 0.0075 0.0158 ( 7713 PWs) bands (ev): -25.9044 -25.9044 -25.8259 -25.8259 -9.8614 -9.8614 -9.5116 -9.5116 -9.3368 -9.3368 -9.2941 -9.2941 -9.1889 -9.1889 -9.0971 -9.0971 -6.8324 -6.8324 -5.7706 -5.7706 -5.3896 -5.3896 -5.3893 -5.3893 -0.1706 -0.1706 -0.0583 -0.0583 0.6563 0.6563 1.6203 1.6203 1.6399 1.6399 1.7967 1.7967 2.1060 2.1060 3.4829 3.4829 3.5306 3.5306 3.5726 3.5726 4.3068 4.3068 4.4294 4.4294 6.9276 6.9276 7.9421 7.9421 8.0693 8.0693 8.1631 8.1631 8.3773 8.3773 k = 0.0000 0.0000 0.0000 ( 7713 PWs) bands (ev): -25.9044 -25.9044 -25.8259 -25.8259 -9.8614 -9.8614 -9.5116 -9.5116 -9.3368 -9.3368 -9.2941 -9.2941 -9.1889 -9.1889 -9.0971 -9.0971 -6.8331 -6.8331 -5.7706 -5.7706 -5.3890 -5.3890 -5.3889 -5.3889 -0.1694 -0.1694 -0.0581 -0.0581 0.6546 0.6546 1.6190 1.6190 1.6386 1.6386 1.7950 1.7950 2.1042 2.1042 3.4941 3.4941 3.5239 3.5239 3.5721 3.5721 4.3098 4.3098 4.4314 4.4314 6.9205 6.9205 7.9391 7.9391 8.1157 8.1157 8.1382 8.1382 8.3663 8.3663 k = 0.0000 0.0000 0.0000 ( 7713 PWs) bands (ev): -25.9044 -25.9044 -25.8259 -25.8259 -9.8614 -9.8614 -9.5116 -9.5116 -9.3368 -9.3368 -9.2941 -9.2941 -9.1889 -9.1889 -9.0971 -9.0971 -6.8331 -6.8331 -5.7706 -5.7706 -5.3890 -5.3890 -5.3889 -5.3889 -0.1694 -0.1694 -0.0581 -0.0581 0.6546 0.6546 1.6190 1.6190 1.6386 1.6386 1.7950 1.7950 2.1042 2.1042 3.4941 3.4941 3.5239 3.5239 3.5721 3.5721 4.3098 4.3098 4.4314 4.4314 6.9205 6.9205 7.9391 7.9391 8.1157 8.1157 8.1382 8.1382 8.3663 8.3663 k = 0.0104 0.0193-0.0000 ( 7721 PWs) bands (ev): -25.9043 -25.9043 -25.8260 -25.8260 -9.8608 -9.8608 -9.5115 -9.5115 -9.3368 -9.3368 -9.2939 -9.2939 -9.1891 -9.1891 -9.0979 -9.0979 -6.8322 -6.8322 -5.7712 -5.7712 -5.3894 -5.3894 -5.3893 -5.3893 -0.1752 -0.1752 -0.0571 -0.0571 0.6635 0.6635 1.6130 1.6130 1.6221 1.6221 1.8149 1.8149 2.1131 2.1131 3.4948 3.4948 3.5211 3.5211 3.5694 3.5694 4.3086 4.3086 4.4230 4.4230 6.9284 6.9284 7.9440 7.9440 8.1204 8.1204 8.1333 8.1333 8.3639 8.3639 k = 0.0209 0.0386-0.0000 ( 7721 PWs) bands (ev): -25.9041 -25.9041 -25.8262 -25.8262 -9.8588 -9.8588 -9.5115 -9.5115 -9.3371 -9.3371 -9.2936 -9.2936 -9.1895 -9.1895 -9.1000 -9.1000 -6.8292 -6.8292 -5.7732 -5.7732 -5.3906 -5.3906 -5.3905 -5.3905 -0.1917 -0.1917 -0.0541 -0.0541 0.6895 0.6895 1.5866 1.5866 1.5965 1.5965 1.8606 1.8606 2.1384 2.1384 3.4969 3.4969 3.5124 3.5124 3.5611 3.5611 4.3049 4.3049 4.3985 4.3985 6.9518 6.9518 7.9590 7.9590 8.1185 8.1185 8.1343 8.1343 8.3568 8.3568 k = 0.0313 0.0578-0.0000 ( 7713 PWs) bands (ev): -25.9037 -25.9037 -25.8266 -25.8266 -9.8556 -9.8556 -9.5114 -9.5114 -9.3375 -9.3375 -9.2930 -9.2930 -9.1901 -9.1901 -9.1036 -9.1036 -6.8243 -6.8243 -5.7765 -5.7765 -5.3926 -5.3926 -5.3925 -5.3925 -0.2170 -0.2170 -0.0492 -0.0492 0.7300 0.7300 1.5470 1.5470 1.5722 1.5722 1.9173 1.9173 2.1771 2.1771 3.4977 3.4977 3.5005 3.5005 3.5477 3.5477 4.2987 4.2987 4.3594 4.3594 6.9891 6.9891 7.9836 7.9836 8.0930 8.0930 8.1575 8.1575 8.3458 8.3458 k = 0.0417 0.0771-0.0000 ( 7729 PWs) bands (ev): -25.9031 -25.9031 -25.8273 -25.8273 -9.8512 -9.8512 -9.5113 -9.5113 -9.3380 -9.3380 -9.2922 -9.2922 -9.1911 -9.1911 -9.1086 -9.1086 -6.8174 -6.8174 -5.7811 -5.7811 -5.3955 -5.3955 -5.3953 -5.3953 -0.2484 -0.2484 -0.0424 -0.0424 0.7821 0.7821 1.5090 1.5090 1.5433 1.5433 1.9799 1.9799 2.2261 2.2261 3.4764 3.4764 3.5054 3.5054 3.5292 3.5292 4.2902 4.2902 4.3081 4.3081 7.0383 7.0383 8.0178 8.0178 8.0553 8.0553 8.1895 8.1895 8.3321 8.3321 k = 0.0522 0.0964-0.0000 ( 7717 PWs) bands (ev): -25.9024 -25.9024 -25.8280 -25.8280 -9.8454 -9.8454 -9.5112 -9.5112 -9.3387 -9.3387 -9.2912 -9.2912 -9.1923 -9.1923 -9.1149 -9.1149 -6.8086 -6.8086 -5.7869 -5.7869 -5.3991 -5.3991 -5.3989 -5.3989 -0.2837 -0.2837 -0.0337 -0.0337 0.8425 0.8425 1.4754 1.4754 1.5124 1.5124 2.0463 2.0463 2.2827 2.2827 3.4480 3.4480 3.5060 3.5060 3.5118 3.5118 4.2473 4.2473 4.2793 4.2793 7.0971 7.0971 8.0043 8.0043 8.0611 8.0611 8.2288 8.2288 8.3117 8.3117 k = 0.0626 0.1157-0.0000 ( 7725 PWs) bands (ev): -25.9015 -25.9015 -25.8289 -25.8289 -9.8385 -9.8385 -9.5112 -9.5112 -9.3396 -9.3396 -9.2900 -9.2900 -9.1938 -9.1938 -9.1225 -9.1225 -6.7979 -6.7979 -5.7940 -5.7940 -5.4035 -5.4035 -5.4032 -5.4032 -0.3206 -0.3206 -0.0231 -0.0231 0.9074 0.9074 1.4485 1.4485 1.4812 1.4812 2.1155 2.1155 2.3450 2.3450 3.4118 3.4118 3.4785 3.4785 3.5196 3.5196 4.1801 4.1801 4.2662 4.2662 7.1631 7.1631 7.9396 7.9396 8.1131 8.1131 8.2654 8.2654 8.2715 8.2715 k = 0.0730 0.1350-0.0000 ( 7713 PWs) bands (ev): -25.9004 -25.9004 -25.8300 -25.8300 -9.8304 -9.8304 -9.5111 -9.5111 -9.3405 -9.3405 -9.2886 -9.2886 -9.1955 -9.1955 -9.1313 -9.1313 -6.7852 -6.7852 -5.8023 -5.8023 -5.4086 -5.4086 -5.4083 -5.4083 -0.3579 -0.3579 -0.0107 -0.0107 0.9726 0.9726 1.4315 1.4315 1.4508 1.4508 2.1870 2.1870 2.4115 2.4115 3.3671 3.3671 3.4468 3.4468 3.5287 3.5287 4.1098 4.1098 4.2509 4.2509 7.2339 7.2339 7.8629 7.8629 8.1730 8.1730 8.2369 8.2369 8.2675 8.2675 k = 0.0834 0.1542-0.0000 ( 7753 PWs) bands (ev): -25.8993 -25.8993 -25.8312 -25.8312 -9.8212 -9.8212 -9.5112 -9.5112 -9.3416 -9.3416 -9.2869 -9.2869 -9.1975 -9.1975 -9.1412 -9.1412 -6.7707 -6.7707 -5.8118 -5.8118 -5.4145 -5.4145 -5.4141 -5.4141 -0.3943 -0.3943 0.0035 0.0035 1.0320 1.0320 1.4221 1.4221 1.4294 1.4294 2.2602 2.2602 2.4812 2.4812 3.3134 3.3134 3.4114 3.4114 3.5392 3.5392 4.0390 4.0390 4.2335 4.2335 7.3076 7.3076 7.7767 7.7767 8.2081 8.2081 8.2339 8.2339 8.2609 8.2609 k = 0.0939 0.1735-0.0000 ( 7757 PWs) bands (ev): -25.8979 -25.8979 -25.8326 -25.8326 -9.8109 -9.8109 -9.5114 -9.5114 -9.3427 -9.3427 -9.2851 -9.2851 -9.1997 -9.1997 -9.1522 -9.1522 -6.7543 -6.7543 -5.8225 -5.8225 -5.4211 -5.4211 -5.4206 -5.4206 -0.4291 -0.4291 0.0192 0.0192 1.0785 1.0785 1.3957 1.3957 1.4485 1.4485 2.3349 2.3349 2.5530 2.5530 3.2500 3.2500 3.3728 3.3728 3.5510 3.5510 3.9703 3.9703 4.2143 4.2143 7.3826 7.3826 7.6838 7.6838 8.1844 8.1844 8.2341 8.2341 8.3210 8.3210 k = 0.1043 0.1928-0.0000 ( 7773 PWs) bands (ev): -25.8965 -25.8965 -25.8342 -25.8342 -9.7995 -9.7995 -9.5118 -9.5118 -9.3439 -9.3439 -9.2830 -9.2830 -9.2022 -9.2022 -9.1641 -9.1641 -6.7361 -6.7361 -5.8342 -5.8342 -5.4283 -5.4283 -5.4278 -5.4278 -0.4616 -0.4616 0.0365 0.0365 1.1073 1.1073 1.3719 1.3719 1.4928 1.4928 2.4106 2.4106 2.6258 2.6258 3.1769 3.1769 3.3319 3.3319 3.5642 3.5642 3.9054 3.9054 4.1933 4.1933 7.4576 7.4576 7.5865 7.5865 8.1653 8.1653 8.2209 8.2209 8.4025 8.4025 k = 0.1147 0.2121-0.0000 ( 7765 PWs) bands (ev): -25.8948 -25.8948 -25.8358 -25.8358 -9.7872 -9.7872 -9.5124 -9.5124 -9.3451 -9.3451 -9.2808 -9.2808 -9.2048 -9.2048 -9.1768 -9.1768 -6.7162 -6.7162 -5.8470 -5.8470 -5.4362 -5.4362 -5.4355 -5.4355 -0.4915 -0.4915 0.0553 0.0553 1.1203 1.1203 1.3509 1.3509 1.5599 1.5599 2.4869 2.4869 2.6983 2.6983 3.0949 3.0949 3.2898 3.2898 3.5787 3.5787 3.8451 3.8451 4.1706 4.1706 7.4866 7.4866 7.5316 7.5316 8.1502 8.1502 8.2089 8.2089 8.4903 8.4903 k = 0.1252 0.2313-0.0000 ( 7757 PWs) bands (ev): -25.8931 -25.8931 -25.8376 -25.8376 -9.7740 -9.7740 -9.5133 -9.5133 -9.3463 -9.3463 -9.2784 -9.2784 -9.2077 -9.2077 -9.1901 -9.1901 -6.6945 -6.6945 -5.8608 -5.8608 -5.4447 -5.4447 -5.4439 -5.4439 -0.5183 -0.5183 0.0752 0.0752 1.1233 1.1233 1.3330 1.3330 1.6433 1.6433 2.5634 2.5634 2.7675 2.7675 3.0060 3.0060 3.2482 3.2482 3.5945 3.5945 3.7897 3.7897 4.1466 4.1466 7.3854 7.3854 7.6037 7.6037 8.1392 8.1392 8.1991 8.1991 8.5824 8.5824 k = 0.1356 0.2506-0.0000 ( 7769 PWs) bands (ev): -25.8912 -25.8912 -25.8395 -25.8395 -9.7600 -9.7600 -9.5147 -9.5147 -9.3474 -9.3474 -9.2758 -9.2758 -9.2108 -9.2108 -9.2039 -9.2039 -6.6711 -6.6711 -5.8755 -5.8755 -5.4538 -5.4538 -5.4528 -5.4528 -0.5420 -0.5420 0.0963 0.0963 1.1217 1.1217 1.3183 1.3183 1.7371 1.7371 2.6397 2.6397 2.8217 2.8217 2.9200 2.9200 3.2106 3.2106 3.6115 3.6115 3.7388 3.7388 4.1214 4.1214 7.2842 7.2842 7.6731 7.6731 8.1318 8.1318 8.1921 8.1921 8.6743 8.6743 k = 0.1460 0.2699-0.0000 ( 7773 PWs) bands (ev): -25.8892 -25.8892 -25.8415 -25.8415 -9.7454 -9.7454 -9.5165 -9.5165 -9.3484 -9.3484 -9.2731 -9.2731 -9.2180 -9.2180 -9.2140 -9.2140 -6.6460 -6.6460 -5.8911 -5.8911 -5.4634 -5.4634 -5.4623 -5.4623 -0.5623 -0.5623 0.1183 0.1183 1.1188 1.1188 1.3069 1.3069 1.8375 1.8375 2.7153 2.7153 2.7836 2.7836 2.9088 2.9088 3.1839 3.1839 3.6297 3.6297 3.6917 3.6917 4.0951 4.0951 7.1839 7.1839 7.7387 7.7387 8.1282 8.1282 8.1879 8.1879 8.7492 8.7492 k = 0.1565 0.2892-0.0000 ( 7765 PWs) bands (ev): -25.8872 -25.8872 -25.8436 -25.8436 -9.7301 -9.7301 -9.5190 -9.5190 -9.3493 -9.3493 -9.2703 -9.2703 -9.2322 -9.2322 -9.2174 -9.2174 -6.6193 -6.6193 -5.9075 -5.9075 -5.4734 -5.4734 -5.4722 -5.4722 -0.5791 -0.5791 0.1409 0.1409 1.1165 1.1165 1.2988 1.2988 1.9421 1.9421 2.6833 2.6833 2.7897 2.7897 2.9308 2.9308 3.1812 3.1812 3.6478 3.6478 3.6491 3.6491 4.0681 4.0681 7.0854 7.0854 7.7991 7.7991 8.1282 8.1282 8.1868 8.1868 8.7753 8.7753 k = 0.1669 0.3085-0.0000 ( 7757 PWs) bands (ev): -25.8850 -25.8850 -25.8458 -25.8458 -9.7143 -9.7143 -9.5223 -9.5223 -9.3499 -9.3499 -9.2673 -9.2673 -9.2462 -9.2462 -9.2209 -9.2209 -6.5911 -6.5911 -5.9245 -5.9245 -5.4839 -5.4839 -5.4826 -5.4826 -0.5924 -0.5924 0.1638 0.1638 1.1159 1.1159 1.2940 1.2940 2.0490 2.0490 2.5755 2.5755 2.8624 2.8624 2.9240 2.9240 3.2110 3.2110 3.6065 3.6065 3.6694 3.6694 4.0407 4.0407 6.9894 6.9894 7.8523 7.8523 8.1317 8.1317 8.1887 8.1887 8.7553 8.7553 k = 0.1773 0.3277-0.0000 ( 7757 PWs) bands (ev): -25.8827 -25.8827 -25.8481 -25.8481 -9.6982 -9.6982 -9.5265 -9.5265 -9.3502 -9.3502 -9.2642 -9.2642 -9.2599 -9.2599 -9.2246 -9.2246 -6.5615 -6.5615 -5.9423 -5.9423 -5.4948 -5.4948 -5.4933 -5.4933 -0.6021 -0.6021 0.1867 0.1867 1.1176 1.1176 1.2925 1.2925 2.1569 2.1569 2.4659 2.4659 2.8936 2.8936 2.9329 2.9329 3.2635 3.2635 3.5675 3.5675 3.6907 3.6907 4.0131 4.0131 6.8969 6.8969 7.8954 7.8954 8.1386 8.1386 8.1937 8.1937 8.7096 8.7096 k = 0.1877 0.3470-0.0000 ( 7741 PWs) bands (ev): -25.8804 -25.8804 -25.8504 -25.8504 -9.6819 -9.6819 -9.5318 -9.5318 -9.3501 -9.3501 -9.2730 -9.2730 -9.2610 -9.2610 -9.2283 -9.2283 -6.5304 -6.5304 -5.9605 -5.9605 -5.5060 -5.5060 -5.5044 -5.5044 -0.6083 -0.6083 0.2090 0.2090 1.1220 1.1220 1.2943 1.2943 2.2646 2.2646 2.3567 2.3567 2.8515 2.8515 3.0005 3.0005 3.3253 3.3253 3.5311 3.5311 3.7126 3.7126 3.9860 3.9860 6.8086 6.8086 7.9244 7.9244 8.1487 8.1487 8.2015 8.2015 8.6543 8.6544 k = 0.1982 0.3663-0.0000 ( 7749 PWs) bands (ev): -25.8780 -25.8780 -25.8529 -25.8529 -9.6656 -9.6656 -9.5383 -9.5383 -9.3495 -9.3495 -9.2852 -9.2852 -9.2578 -9.2578 -9.2322 -9.2322 -6.4980 -6.4980 -5.9793 -5.9793 -5.5175 -5.5175 -5.5158 -5.5158 -0.6110 -0.6110 0.2303 0.2303 1.1294 1.1294 1.2991 1.2991 2.2494 2.2494 2.3712 2.3712 2.8042 2.8042 3.0647 3.0647 3.3864 3.3864 3.4997 3.4997 3.7345 3.7345 3.9598 3.9598 6.7257 6.7257 7.9348 7.9348 8.1617 8.1617 8.2121 8.2121 8.6010 8.6010 k = 0.2086 0.3856-0.0000 ( 7749 PWs) bands (ev): -25.8756 -25.8756 -25.8553 -25.8553 -9.6494 -9.6494 -9.5462 -9.5462 -9.3482 -9.3482 -9.2964 -9.2964 -9.2545 -9.2545 -9.2360 -9.2360 -6.4643 -6.4643 -5.9984 -5.9984 -5.5292 -5.5292 -5.5274 -5.5274 -0.6101 -0.6101 0.2497 0.2497 1.1399 1.1399 1.3070 1.3070 2.1456 2.1456 2.4753 2.4753 2.7545 2.7545 3.1248 3.1248 3.4228 3.4228 3.4939 3.4939 3.7556 3.7556 3.9358 3.9358 6.6490 6.6490 7.9226 7.9226 8.1772 8.1772 8.2248 8.2248 8.5560 8.5560 k = 0.2190 0.4049-0.0000 ( 7741 PWs) bands (ev): -25.8730 -25.8730 -25.8578 -25.8578 -9.6336 -9.6336 -9.5554 -9.5554 -9.3462 -9.3462 -9.3064 -9.3064 -9.2513 -9.2513 -9.2398 -9.2398 -6.4295 -6.4295 -6.0179 -6.0179 -5.5412 -5.5412 -5.5392 -5.5392 -0.6059 -0.6059 0.2666 0.2666 1.1535 1.1535 1.3176 1.3176 2.0469 2.0469 2.5758 2.5758 2.7039 2.7039 3.1804 3.1804 3.4062 3.4062 3.5400 3.5400 3.7736 3.7736 3.9162 3.9162 6.5797 6.5797 7.8870 7.8870 8.1944 8.1944 8.2389 8.2389 8.5203 8.5203 k = 0.2295 0.4241-0.0000 ( 7717 PWs) bands (ev): -25.8705 -25.8705 -25.8603 -25.8603 -9.6185 -9.6185 -9.5661 -9.5661 -9.3433 -9.3433 -9.3151 -9.3151 -9.2489 -9.2489 -9.2428 -9.2428 -6.3936 -6.3936 -6.0375 -6.0375 -5.5532 -5.5532 -5.5511 -5.5511 -0.5984 -0.5984 0.2798 0.2798 1.1703 1.1703 1.3304 1.3304 1.9550 1.9550 2.6532 2.6532 2.6714 2.6714 3.2308 3.2308 3.3758 3.3758 3.5975 3.5975 3.7849 3.7849 3.9047 3.9047 6.5191 6.5191 7.8308 7.8308 8.2121 8.2121 8.2529 8.2529 8.4901 8.4901 k = 0.2399 0.4434-0.0000 ( 7737 PWs) bands (ev): -25.8680 -25.8680 -25.8629 -25.8629 -9.6041 -9.6041 -9.5782 -9.5782 -9.3394 -9.3394 -9.3224 -9.3224 -9.2500 -9.2500 -9.2424 -9.2424 -6.3567 -6.3567 -6.0573 -6.0573 -5.5653 -5.5653 -5.5631 -5.5631 -0.5877 -0.5877 0.2883 0.2883 1.1904 1.1904 1.3451 1.3451 1.8720 1.8720 2.6029 2.6029 2.7608 2.7608 3.2756 3.2756 3.3436 3.3436 3.6531 3.6531 3.7851 3.7851 3.9055 3.9055 6.4685 6.4685 7.7588 7.7588 8.2281 8.2281 8.2640 8.2640 8.4595 8.4595 k = 0.2503 0.4627-0.0000 ( 7733 PWs) bands (ev): -25.8655 -25.8655 -25.8654 -25.8654 -9.5921 -9.5921 -9.5903 -9.5903 -9.3345 -9.3345 -9.3281 -9.3281 -9.2535 -9.2535 -9.2394 -9.2394 -6.3190 -6.3190 -6.0771 -6.0771 -5.5775 -5.5775 -5.5751 -5.5751 -0.5738 -0.5738 0.2908 0.2908 1.2137 1.2137 1.3606 1.3606 1.8002 1.8002 2.5534 2.5534 2.8425 2.8425 3.3114 3.3114 3.3146 3.3146 3.7042 3.7042 3.7750 3.7750 3.9178 3.9178 6.4293 6.4293 7.6760 7.6760 8.2386 8.2386 8.2674 8.2674 8.4237 8.4237 k = 0.2608 0.4820-0.0000 ( 7737 PWs) bands (ev): -25.8681 -25.8681 -25.8628 -25.8628 -9.6060 -9.6060 -9.5786 -9.5786 -9.3339 -9.3339 -9.3270 -9.3270 -9.2575 -9.2575 -9.2361 -9.2361 -6.2806 -6.2806 -6.0968 -6.0968 -5.5896 -5.5896 -5.5871 -5.5871 -0.5570 -0.5570 0.2860 0.2860 1.2402 1.2402 1.3757 1.3757 1.7422 1.7422 2.5051 2.5051 2.9151 2.9151 3.2797 3.2797 3.3475 3.3475 3.7495 3.7495 3.7595 3.7595 3.9364 3.9364 6.4028 6.4028 7.5860 7.5860 8.2382 8.2382 8.2565 8.2565 8.3800 8.3800 k = 0.2712 0.5013-0.0000 ( 7737 PWs) bands (ev): -25.8706 -25.8706 -25.8603 -25.8603 -9.6213 -9.6213 -9.5679 -9.5679 -9.3374 -9.3374 -9.3193 -9.3193 -9.2615 -9.2615 -9.2326 -9.2326 -6.2415 -6.2415 -6.1164 -6.1164 -5.6016 -5.6016 -5.5990 -5.5990 -0.5374 -0.5374 0.2729 0.2729 1.2699 1.2699 1.3890 1.3890 1.7007 1.7007 2.4581 2.4581 2.9773 2.9773 3.2486 3.2486 3.3743 3.3743 3.7421 3.7421 3.7881 3.7881 3.9572 3.9572 6.3905 6.3905 7.4914 7.4914 8.2219 8.2219 8.2276 8.2276 8.3282 8.3282 k = 0.2816 0.5205-0.0000 ( 7701 PWs) bands (ev): -25.8731 -25.8731 -25.8577 -25.8577 -9.6373 -9.6373 -9.5586 -9.5586 -9.3401 -9.3401 -9.3101 -9.3101 -9.2655 -9.2655 -9.2291 -9.2291 -6.2020 -6.2020 -6.1358 -6.1358 -5.6135 -5.6135 -5.6107 -5.6107 -0.5151 -0.5151 0.2506 0.2506 1.3026 1.3026 1.3992 1.3992 1.6780 1.6780 2.4128 2.4128 3.0279 3.0279 3.2183 3.2183 3.3950 3.3950 3.7248 3.7248 3.8194 3.8194 3.9781 3.9781 6.3935 6.3935 7.3939 7.3939 8.1845 8.1845 8.1904 8.1904 8.2703 8.2703 k = 0.2920 0.5398-0.0000 ( 7685 PWs) bands (ev): -25.8756 -25.8756 -25.8551 -25.8551 -9.6538 -9.6538 -9.5507 -9.5507 -9.3421 -9.3421 -9.2995 -9.2995 -9.2695 -9.2695 -9.2257 -9.2257 -6.1621 -6.1621 -6.1548 -6.1548 -5.6252 -5.6252 -5.6223 -5.6223 -0.4904 -0.4904 0.2189 0.2189 1.3384 1.3384 1.4064 1.4064 1.6739 1.6739 2.3693 2.3693 3.0662 3.0662 3.1889 3.1889 3.4099 3.4099 3.7082 3.7082 3.8426 3.8426 3.9975 3.9975 6.4127 6.4127 7.2947 7.2947 8.1347 8.1347 8.1497 8.1497 8.2087 8.2087 k = 0.3025 0.5591-0.0000 ( 7685 PWs) bands (ev): -25.8780 -25.8780 -25.8527 -25.8527 -9.6706 -9.6706 -9.5443 -9.5443 -9.3433 -9.3433 -9.2877 -9.2877 -9.2735 -9.2735 -9.2223 -9.2223 -6.1735 -6.1735 -6.1221 -6.1221 -5.6367 -5.6367 -5.6337 -5.6337 -0.4634 -0.4634 0.1783 0.1783 1.3771 1.3771 1.4127 1.4127 1.6860 1.6860 2.3279 2.3279 3.0919 3.0919 3.1603 3.1603 3.4192 3.4192 3.6923 3.6923 3.8574 3.8574 4.0149 4.0149 6.4486 6.4486 7.1948 7.1948 8.0840 8.0840 8.1062 8.1062 8.1456 8.1456 k = 0.3129 0.5784-0.0000 ( 7697 PWs) bands (ev): -25.8805 -25.8805 -25.8502 -25.8502 -9.6874 -9.6874 -9.5391 -9.5391 -9.3441 -9.3441 -9.2773 -9.2773 -9.2749 -9.2749 -9.2190 -9.2190 -6.1917 -6.1917 -6.0822 -6.0822 -5.6479 -5.6479 -5.6448 -5.6448 -0.4344 -0.4344 0.1299 0.1299 1.4187 1.4187 1.4206 1.4206 1.7106 1.7106 2.2888 2.2888 3.1054 3.1054 3.1328 3.1328 3.4230 3.4230 3.6768 3.6768 3.8635 3.8635 4.0299 4.0299 6.5014 6.5014 7.0947 7.0947 8.0350 8.0350 8.0640 8.0640 8.0831 8.0831 k = 0.3233 0.5976-0.0000 ( 7697 PWs) bands (ev): -25.8828 -25.8828 -25.8479 -25.8479 -9.7041 -9.7041 -9.5351 -9.5351 -9.3443 -9.3443 -9.2811 -9.2811 -9.2614 -9.2614 -9.2157 -9.2157 -6.2093 -6.2093 -6.0424 -6.0424 -5.6588 -5.6588 -5.6556 -5.6556 -0.4035 -0.4035 0.0749 0.0749 1.4321 1.4321 1.4630 1.4630 1.7442 1.7442 2.2523 2.2523 3.1063 3.1063 3.1078 3.1078 3.4215 3.4215 3.6610 3.6610 3.8606 3.8606 4.0425 4.0425 6.5707 6.5707 6.9952 6.9952 7.9872 7.9872 8.0248 8.0248 8.0254 8.0254 k = 0.3338 0.6169-0.0000 ( 7693 PWs) bands (ev): -25.8850 -25.8850 -25.8456 -25.8456 -9.7206 -9.7206 -9.5320 -9.5320 -9.3442 -9.3442 -9.2847 -9.2847 -9.2474 -9.2474 -9.2126 -9.2126 -6.2264 -6.2264 -6.0031 -6.0031 -5.6693 -5.6693 -5.6660 -5.6660 -0.3712 -0.3712 0.0152 0.0152 1.4476 1.4476 1.5099 1.5099 1.7843 1.7843 2.2187 2.2187 3.0810 3.0810 3.1002 3.1002 3.4152 3.4152 3.6438 3.6438 3.8490 3.8490 4.0528 4.0528 6.6559 6.6559 6.8967 6.8967 7.9361 7.9361 7.9770 7.9770 7.9913 7.9913 k = 0.3442 0.6362-0.0000 ( 7677 PWs) bands (ev): -25.8871 -25.8871 -25.8434 -25.8434 -9.7367 -9.7367 -9.5298 -9.5298 -9.3438 -9.3438 -9.2882 -9.2882 -9.2331 -9.2331 -9.2095 -9.2095 -6.2427 -6.2427 -5.9643 -5.9643 -5.6794 -5.6794 -5.6760 -5.6760 -0.3375 -0.3375 -0.0477 -0.0477 1.4667 1.4667 1.5593 1.5593 1.8294 1.8294 2.1885 2.1885 3.0568 3.0568 3.0844 3.0844 3.4046 3.4046 3.6243 3.6243 3.8286 3.8286 4.0614 4.0614 6.7559 6.7559 6.8000 6.8000 7.8808 7.8808 7.9415 7.9415 7.9624 7.9624 k = 0.3546 0.6555-0.0000 ( 7669 PWs) bands (ev): -25.8892 -25.8892 -25.8413 -25.8413 -9.7522 -9.7522 -9.5282 -9.5282 -9.3432 -9.3432 -9.2916 -9.2916 -9.2187 -9.2187 -9.2066 -9.2066 -6.2583 -6.2583 -5.9264 -5.9264 -5.6890 -5.6890 -5.6855 -5.6855 -0.3030 -0.3030 -0.1123 -0.1123 1.4887 1.4887 1.6110 1.6110 1.8779 1.8779 2.1622 2.1622 3.0339 3.0339 3.0616 3.0616 3.3904 3.3904 3.6016 3.6016 3.8000 3.8000 4.0688 4.0688 6.7054 6.7054 6.8694 6.8694 7.8253 7.8253 7.9147 7.9147 7.9384 7.9384 k = 0.3651 0.6748-0.0000 ( 7669 PWs) bands (ev): -25.8912 -25.8912 -25.8393 -25.8393 -9.7671 -9.7671 -9.5272 -9.5272 -9.3425 -9.3425 -9.2948 -9.2948 -9.2045 -9.2045 -9.2038 -9.2038 -6.2730 -6.2730 -5.8896 -5.8896 -5.6981 -5.6981 -5.6945 -5.6945 -0.2678 -0.2678 -0.1771 -0.1771 1.5124 1.5124 1.6648 1.6648 1.9284 1.9284 2.1412 2.1412 3.0123 3.0123 3.0333 3.0333 3.3731 3.3731 3.5751 3.5751 3.7636 3.7636 4.0754 4.0754 6.6137 6.6137 6.9951 6.9951 7.7720 7.7720 7.8942 7.8942 7.9191 7.9191 k = 0.3755 0.6940-0.0000 ( 7669 PWs) bands (ev): -25.8930 -25.8930 -25.8374 -25.8374 -9.7812 -9.7812 -9.5267 -9.5267 -9.3416 -9.3416 -9.2978 -9.2978 -9.2012 -9.2012 -9.1907 -9.1907 -6.2869 -6.2869 -5.8541 -5.8541 -5.7067 -5.7067 -5.7031 -5.7031 -0.2410 -0.2410 -0.2325 -0.2325 1.5367 1.5367 1.7205 1.7205 1.9779 1.9779 2.1282 2.1282 2.9920 2.9920 3.0010 3.0010 3.3532 3.3532 3.5450 3.5450 3.7199 3.7199 4.0815 4.0815 6.5253 6.5253 7.1315 7.1315 7.7217 7.7217 7.8789 7.8789 7.9042 7.9042 k = 0.3859 0.7133-0.0000 ( 7665 PWs) bands (ev): -25.8947 -25.8947 -25.8357 -25.8357 -9.7945 -9.7945 -9.5264 -9.5264 -9.3407 -9.3407 -9.3006 -9.3006 -9.1988 -9.1988 -9.1774 -9.1774 -6.2999 -6.2999 -5.8202 -5.8202 -5.7148 -5.7148 -5.7110 -5.7110 -0.3030 -0.3030 -0.1973 -0.1973 1.5605 1.5605 1.7777 1.7777 2.0185 2.0185 2.1311 2.1311 2.9658 2.9658 2.9731 2.9731 3.3309 3.3309 3.5117 3.5117 3.6697 3.6697 4.0875 4.0875 6.4409 6.4409 7.2770 7.2770 7.6749 7.6749 7.8679 7.8679 7.8930 7.8930 k = 0.3963 0.7326-0.0000 ( 7661 PWs) bands (ev): -25.8963 -25.8963 -25.8340 -25.8340 -9.8069 -9.8069 -9.5264 -9.5264 -9.3397 -9.3397 -9.3032 -9.3032 -9.1965 -9.1965 -9.1648 -9.1648 -6.3119 -6.3119 -5.7881 -5.7881 -5.7222 -5.7222 -5.7184 -5.7184 -0.3622 -0.3622 -0.1627 -0.1627 1.5828 1.5828 1.8361 1.8361 2.0388 2.0388 2.1612 2.1612 2.9292 2.9292 2.9556 2.9556 3.3055 3.3055 3.4768 3.4768 3.6135 3.6135 4.0934 4.0934 6.3611 6.3611 7.4297 7.4297 7.6319 7.6319 7.8604 7.8604 7.8850 7.8850 k = 0.3963 0.7326-0.0000 ( 7661 PWs) bands (ev): -25.8963 -25.8963 -25.8340 -25.8340 -9.8069 -9.8069 -9.5264 -9.5264 -9.3397 -9.3397 -9.3032 -9.3032 -9.1965 -9.1965 -9.1648 -9.1648 -6.3119 -6.3119 -5.7881 -5.7881 -5.7222 -5.7222 -5.7184 -5.7184 -0.3622 -0.3622 -0.1627 -0.1627 1.5828 1.5828 1.8361 1.8361 2.0388 2.0388 2.1612 2.1612 2.9292 2.9292 2.9556 2.9556 3.3055 3.3055 3.4768 3.4768 3.6135 3.6135 4.0934 4.0934 6.3611 6.3611 7.4297 7.4297 7.6319 7.6319 7.8604 7.8604 7.8850 7.8850 k = 0.3913 0.7233 0.0196 ( 7671 PWs) bands (ev): -25.8956 -25.8956 -25.8348 -25.8348 -9.8010 -9.8010 -9.5264 -9.5264 -9.3402 -9.3402 -9.3019 -9.3019 -9.1976 -9.1976 -9.1708 -9.1708 -6.3070 -6.3070 -5.8038 -5.8038 -5.7182 -5.7182 -5.7142 -5.7142 -0.3338 -0.3338 -0.1793 -0.1793 1.5677 1.5677 1.8068 1.8068 2.0365 2.0365 2.1462 2.1462 2.9382 2.9382 2.9679 2.9679 3.3189 3.3189 3.4929 3.4929 3.6421 3.6421 4.0894 4.0894 6.4010 6.4010 7.3556 7.3556 7.6502 7.6502 7.8662 7.8662 7.8915 7.8915 k = 0.3863 0.7139 0.0392 ( 7673 PWs) bands (ev): -25.8948 -25.8948 -25.8356 -25.8356 -9.7949 -9.7949 -9.5264 -9.5264 -9.3407 -9.3407 -9.3006 -9.3006 -9.1987 -9.1987 -9.1770 -9.1770 -6.3033 -6.3033 -5.8201 -5.8201 -5.7144 -5.7144 -5.7075 -5.7075 -0.3046 -0.3046 -0.1960 -0.1960 1.5425 1.5425 1.7787 1.7787 2.0373 2.0373 2.1441 2.1441 2.9338 2.9338 2.9845 2.9845 3.3325 3.3325 3.5074 3.5074 3.6701 3.6701 4.0833 4.0833 6.4452 6.4452 7.2855 7.2855 7.6649 7.6649 7.8749 7.8749 7.9070 7.9070 k = 0.3812 0.7046 0.0588 ( 7673 PWs) bands (ev): -25.8940 -25.8940 -25.8364 -25.8364 -9.7885 -9.7885 -9.5264 -9.5264 -9.3412 -9.3412 -9.2991 -9.2991 -9.1999 -9.1999 -9.1833 -9.1833 -6.3006 -6.3006 -5.8366 -5.8366 -5.7112 -5.7112 -5.6986 -5.6986 -0.2754 -0.2754 -0.2120 -0.2120 1.5080 1.5080 1.7532 1.7532 2.0401 2.0401 2.1541 2.1541 2.9219 2.9219 3.0000 3.0000 3.3455 3.3455 3.5203 3.5203 3.6969 3.6969 4.0751 4.0751 6.4922 6.4922 7.2211 7.2211 7.6767 7.6767 7.8832 7.8832 7.9331 7.9331 k = 0.3762 0.6953 0.0784 ( 7671 PWs) bands (ev): -25.8931 -25.8931 -25.8373 -25.8373 -9.7819 -9.7819 -9.5264 -9.5264 -9.3417 -9.3417 -9.2976 -9.2976 -9.2012 -9.2012 -9.1898 -9.1898 -6.2989 -6.2989 -5.8532 -5.8532 -5.7084 -5.7084 -5.6881 -5.6881 -0.2501 -0.2501 -0.2237 -0.2237 1.4673 1.4673 1.7296 1.7296 2.0460 2.0460 2.1734 2.1734 2.9046 2.9046 3.0138 3.0138 3.3572 3.3572 3.5317 3.5317 3.7217 3.7217 4.0654 4.0654 6.5396 6.5396 7.1644 7.1644 7.6881 7.6881 7.8914 7.8914 7.9662 7.9662 k = 0.3711 0.6860 0.0980 ( 7689 PWs) bands (ev): -25.8923 -25.8923 -25.8382 -25.8382 -9.7751 -9.7751 -9.5265 -9.5265 -9.3422 -9.3422 -9.2960 -9.2960 -9.2026 -9.2026 -9.1964 -9.1964 -6.2980 -6.2980 -5.8696 -5.8696 -5.7058 -5.7058 -5.6766 -5.6766 -0.2513 -0.2513 -0.2088 -0.2088 1.4236 1.4236 1.7063 1.7063 2.0560 2.0560 2.1992 2.1992 2.8827 2.8827 3.0261 3.0261 3.3672 3.3672 3.5414 3.5414 3.7437 3.7437 4.0543 4.0543 6.5846 6.5846 7.1178 7.1178 7.7014 7.7014 7.9004 7.9004 8.0024 8.0024 k = 0.3661 0.6766 0.1176 ( 7694 PWs) bands (ev): -25.8914 -25.8914 -25.8391 -25.8391 -9.7681 -9.7681 -9.5267 -9.5267 -9.3427 -9.3427 -9.2943 -9.2943 -9.2040 -9.2040 -9.2031 -9.2031 -6.2976 -6.2976 -5.8857 -5.8857 -5.7033 -5.7033 -5.6642 -5.6642 -0.2652 -0.2652 -0.1813 -0.1813 1.3798 1.3798 1.6825 1.6825 2.0702 2.0702 2.2296 2.2296 2.8572 2.8572 3.0373 3.0373 3.3755 3.3755 3.5490 3.5490 3.7623 3.7623 4.0424 4.0424 6.6232 6.6232 7.0841 7.0841 7.7187 7.7187 7.9106 7.9106 8.0394 8.0394 k = 0.3610 0.6673 0.1372 ( 7704 PWs) bands (ev): -25.8905 -25.8905 -25.8401 -25.8401 -9.7609 -9.7609 -9.5269 -9.5269 -9.3432 -9.3432 -9.2926 -9.2926 -9.2099 -9.2099 -9.2054 -9.2054 -6.2976 -6.2976 -5.9016 -5.9016 -5.7010 -5.7010 -5.6515 -5.6515 -0.2797 -0.2797 -0.1536 -0.1536 1.3379 1.3379 1.6579 1.6579 2.0877 2.0877 2.2634 2.2634 2.8290 2.8290 3.0478 3.0478 3.3822 3.3822 3.5543 3.5543 3.7770 3.7770 4.0300 4.0300 6.6517 6.6517 7.0655 7.0655 7.7415 7.7415 7.9222 7.9222 8.0760 8.0760 k = 0.3560 0.6580 0.1568 ( 7713 PWs) bands (ev): -25.8895 -25.8895 -25.8411 -25.8411 -9.7536 -9.7536 -9.5273 -9.5273 -9.3436 -9.3436 -9.2907 -9.2907 -9.2168 -9.2168 -9.2070 -9.2070 -6.2979 -6.2979 -5.9170 -5.9170 -5.6987 -5.6987 -5.6386 -5.6386 -0.2934 -0.2934 -0.1274 -0.1274 1.2994 1.2994 1.6327 1.6327 2.1073 2.1073 2.2999 2.2999 2.7995 2.7995 3.0579 3.0579 3.3876 3.3876 3.5566 3.5566 3.7874 3.7874 4.0175 4.0175 6.6680 6.6680 7.0624 7.0624 7.7709 7.7709 7.9352 7.9352 8.1117 8.1117 k = 0.3509 0.6487 0.1764 ( 7712 PWs) bands (ev): -25.8886 -25.8886 -25.8421 -25.8421 -9.7461 -9.7461 -9.5277 -9.5277 -9.3441 -9.3441 -9.2888 -9.2888 -9.2236 -9.2236 -9.2085 -9.2085 -6.2981 -6.2981 -5.9321 -5.9321 -5.6964 -5.6964 -5.6259 -5.6259 -0.3060 -0.3060 -0.1034 -0.1034 1.2653 1.2653 1.6071 1.6071 2.1274 2.1274 2.3383 2.3383 2.7701 2.7701 3.0678 3.0678 3.3920 3.3920 3.5556 3.5556 3.7935 3.7935 4.0050 4.0050 6.6736 6.6736 7.0721 7.0721 7.8072 7.8072 7.9497 7.9497 8.1464 8.1464 k = 0.3459 0.6393 0.1960 ( 7709 PWs) bands (ev): -25.8875 -25.8875 -25.8431 -25.8431 -9.7384 -9.7384 -9.5283 -9.5283 -9.3446 -9.3446 -9.2869 -9.2869 -9.2305 -9.2305 -9.2102 -9.2102 -6.2983 -6.2983 -5.9468 -5.9468 -5.6941 -5.6941 -5.6137 -5.6137 -0.3171 -0.3171 -0.0821 -0.0821 1.2363 1.2363 1.5815 1.5815 2.1465 2.1465 2.3782 2.3782 2.7423 2.7423 3.0776 3.0776 3.3955 3.3955 3.5511 3.5511 3.7953 3.7953 3.9929 3.9929 6.6727 6.6727 7.0891 7.0891 7.8497 7.8497 7.9657 7.9657 8.1800 8.1800 k = 0.3408 0.6300 0.2156 ( 7709 PWs) bands (ev): -25.8865 -25.8865 -25.8441 -25.8441 -9.7306 -9.7306 -9.5291 -9.5291 -9.3450 -9.3450 -9.2849 -9.2849 -9.2374 -9.2374 -9.2119 -9.2119 -6.2982 -6.2982 -5.9610 -5.9610 -5.6917 -5.6917 -5.6021 -5.6021 -0.3266 -0.3266 -0.0641 -0.0641 1.2129 1.2129 1.5559 1.5559 2.1629 2.1629 2.4191 2.4191 2.7182 2.7182 3.0875 3.0875 3.3985 3.3985 3.5430 3.5430 3.7931 3.7931 3.9811 3.9811 6.6695 6.6695 7.1088 7.1088 7.8967 7.8967 7.9834 7.9834 8.2118 8.2118 k = 0.3358 0.6207 0.2352 ( 7715 PWs) bands (ev): -25.8855 -25.8855 -25.8452 -25.8452 -9.7227 -9.7227 -9.5300 -9.5300 -9.3453 -9.3453 -9.2830 -9.2830 -9.2442 -9.2442 -9.2136 -9.2136 -6.2977 -6.2977 -5.9748 -5.9748 -5.6892 -5.6892 -5.5914 -5.5914 -0.3343 -0.3343 -0.0496 -0.0496 1.1952 1.1952 1.5305 1.5305 2.1748 2.1748 2.4606 2.4606 2.6995 2.6995 3.0977 3.0977 3.4009 3.4009 3.5316 3.5316 3.7874 3.7874 3.9694 3.9694 6.6674 6.6674 7.1277 7.1277 7.9451 7.9451 8.0035 8.0035 8.2407 8.2407 k = 0.3307 0.6113 0.2548 ( 7717 PWs) bands (ev): -25.8844 -25.8844 -25.8463 -25.8463 -9.7147 -9.7147 -9.5312 -9.5312 -9.3457 -9.3457 -9.2810 -9.2810 -9.2509 -9.2509 -9.2154 -9.2154 -6.2967 -6.2967 -5.9881 -5.9881 -5.6865 -5.6865 -5.5818 -5.5818 -0.3400 -0.3400 -0.0388 -0.0388 1.1830 1.1830 1.5056 1.5056 2.1812 2.1812 2.5020 2.5020 2.6879 2.6879 3.1081 3.1081 3.4029 3.4029 3.5173 3.5173 3.7787 3.7787 3.9579 3.9579 6.6685 6.6685 7.1445 7.1445 7.9894 7.9894 8.0284 8.0284 8.2649 8.2649 k = 0.3257 0.6020 0.2744 ( 7719 PWs) bands (ev): -25.8833 -25.8833 -25.8474 -25.8474 -9.7066 -9.7066 -9.5326 -9.5326 -9.3459 -9.3459 -9.2791 -9.2791 -9.2574 -9.2574 -9.2173 -9.2173 -6.2951 -6.2951 -6.0009 -6.0009 -5.6837 -5.6837 -5.5735 -5.5735 -0.3434 -0.3434 -0.0317 -0.0317 1.1758 1.1758 1.4812 1.4812 2.1814 2.1814 2.5424 2.5424 2.6847 2.6847 3.1190 3.1190 3.4042 3.4042 3.5007 3.5007 3.7676 3.7676 3.9463 3.9463 6.6738 6.6738 7.1588 7.1588 8.0219 8.0219 8.0620 8.0620 8.2822 8.2822 k = 0.3207 0.5927 0.2940 ( 7718 PWs) bands (ev): -25.8822 -25.8822 -25.8485 -25.8485 -9.6985 -9.6985 -9.5342 -9.5342 -9.3461 -9.3461 -9.2775 -9.2775 -9.2634 -9.2634 -9.2192 -9.2192 -6.2929 -6.2929 -6.0133 -6.0133 -5.6807 -5.6807 -5.5665 -5.5665 -0.3446 -0.3446 -0.0283 -0.0283 1.1731 1.1731 1.4574 1.4574 2.1763 2.1763 2.5797 2.5797 2.6909 2.6909 3.1303 3.1303 3.4046 3.4046 3.4827 3.4827 3.7549 3.7549 3.9347 3.9347 6.6839 6.6839 7.1707 7.1707 8.0432 8.0432 8.0991 8.0991 8.2907 8.2907 k = 0.3156 0.5834 0.3136 ( 7726 PWs) bands (ev): -25.8811 -25.8811 -25.8497 -25.8497 -9.6903 -9.6903 -9.5361 -9.5361 -9.3462 -9.3462 -9.2771 -9.2771 -9.2681 -9.2681 -9.2211 -9.2211 -6.2899 -6.2899 -6.0253 -6.0253 -5.6774 -5.6774 -5.5611 -5.5611 -0.3434 -0.3434 -0.0282 -0.0282 1.1738 1.1738 1.4343 1.4343 2.1674 2.1674 2.6108 2.6108 2.7077 2.7077 3.1420 3.1420 3.4036 3.4036 3.4643 3.4643 3.7412 3.7412 3.9229 3.9229 6.6990 6.6990 7.1809 7.1809 8.0548 8.0548 8.1300 8.1300 8.2888 8.2888 k = 0.3106 0.5740 0.3332 ( 7724 PWs) bands (ev): -25.8799 -25.8799 -25.8508 -25.8508 -9.6821 -9.6821 -9.5383 -9.5383 -9.3463 -9.3463 -9.2799 -9.2799 -9.2695 -9.2695 -9.2231 -9.2231 -6.2861 -6.2861 -6.0369 -6.0369 -5.6738 -5.6738 -5.5572 -5.5572 -0.3399 -0.3399 -0.0310 -0.0310 1.1768 1.1768 1.4118 1.4118 2.1571 2.1571 2.6327 2.6327 2.7356 2.7356 3.1541 3.1541 3.4001 3.4001 3.4475 3.4475 3.7275 3.7275 3.9108 3.9108 6.7189 6.7189 7.1899 7.1899 8.0506 8.0506 8.1472 8.1472 8.2777 8.2777 k = 0.3055 0.5647 0.3529 ( 7721 PWs) bands (ev): -25.8788 -25.8788 -25.8520 -25.8520 -9.6740 -9.6740 -9.5408 -9.5408 -9.3461 -9.3461 -9.2850 -9.2850 -9.2684 -9.2684 -9.2250 -9.2250 -6.2815 -6.2815 -6.0482 -6.0482 -5.6700 -5.6700 -5.5549 -5.5549 -0.3339 -0.3339 -0.0363 -0.0363 1.1810 1.1810 1.3900 1.3900 2.1476 2.1476 2.6454 2.6454 2.7721 2.7721 3.1664 3.1664 3.3924 3.3924 3.4345 3.4345 3.7145 3.7145 3.8986 3.8986 6.7433 6.7433 7.1985 7.1985 8.0237 8.0237 8.1450 8.1450 8.2740 8.2740 k = 0.3005 0.5554 0.3725 ( 7729 PWs) bands (ev): -25.8776 -25.8776 -25.8532 -25.8532 -9.6658 -9.6658 -9.5436 -9.5436 -9.3459 -9.3459 -9.2904 -9.2904 -9.2666 -9.2666 -9.2270 -9.2270 -6.2760 -6.2760 -6.0592 -6.0592 -5.6659 -5.6659 -5.5541 -5.5541 -0.3257 -0.3257 -0.0437 -0.0437 1.1853 1.1853 1.3690 1.3690 2.1410 2.1410 2.6504 2.6504 2.8132 2.8132 3.1785 3.1785 3.3802 3.3802 3.4266 3.4266 3.7031 3.7031 3.8861 3.8861 6.7720 6.7720 7.2073 7.2073 7.9780 7.9780 8.1220 8.1220 8.2885 8.2885 k = 0.2954 0.5460 0.3921 ( 7730 PWs) bands (ev): -25.8764 -25.8764 -25.8544 -25.8544 -9.6577 -9.6577 -9.5467 -9.5467 -9.3455 -9.3455 -9.2959 -9.2959 -9.2646 -9.2646 -9.2290 -9.2290 -6.2697 -6.2697 -6.0700 -6.0700 -5.6614 -5.6614 -5.5549 -5.5549 -0.3152 -0.3152 -0.0528 -0.0528 1.1890 1.1890 1.3488 1.3488 2.1389 2.1389 2.6485 2.6485 2.8564 2.8564 3.1898 3.1898 3.3659 3.3659 3.4220 3.4220 3.6939 3.6939 3.8735 3.8735 6.8046 6.8046 7.2166 7.2166 7.9232 7.9232 8.0816 8.0816 8.3169 8.3169 k = 0.2904 0.5367 0.4117 ( 7732 PWs) bands (ev): -25.8753 -25.8753 -25.8556 -25.8556 -9.6497 -9.6497 -9.5503 -9.5503 -9.3450 -9.3450 -9.3011 -9.3011 -9.2626 -9.2626 -9.2311 -9.2311 -6.2624 -6.2624 -6.0806 -6.0806 -5.6567 -5.6567 -5.5572 -5.5572 -0.3028 -0.3028 -0.0633 -0.0633 1.1913 1.1913 1.3293 1.3293 2.1425 2.1425 2.6398 2.6398 2.9001 2.9001 3.1993 3.1993 3.3520 3.3520 3.4190 3.4190 3.6877 3.6877 3.8607 3.8607 6.8406 6.8406 7.2269 7.2269 7.8664 7.8664 8.0278 8.0278 8.3541 8.3541 k = 0.2853 0.5274 0.4313 ( 7728 PWs) bands (ev): -25.8740 -25.8740 -25.8568 -25.8568 -9.6418 -9.6418 -9.5541 -9.5541 -9.3443 -9.3443 -9.3060 -9.3060 -9.2606 -9.2606 -9.2331 -9.2331 -6.2543 -6.2543 -6.0912 -6.0912 -5.6516 -5.6516 -5.5608 -5.5608 -0.2886 -0.2886 -0.0747 -0.0747 1.1921 1.1921 1.3107 1.3107 2.1525 2.1525 2.6243 2.6243 2.9434 2.9434 3.2060 3.2060 3.3403 3.3403 3.4165 3.4165 3.6849 3.6849 3.8477 3.8477 6.8796 6.8796 7.2384 7.2384 7.8111 7.8111 7.9635 7.9635 8.3972 8.3972 k = 0.2803 0.5181 0.4509 ( 7724 PWs) bands (ev): -25.8728 -25.8728 -25.8580 -25.8580 -9.6340 -9.6340 -9.5584 -9.5584 -9.3433 -9.3433 -9.3107 -9.3107 -9.2585 -9.2585 -9.2351 -9.2351 -6.2452 -6.2452 -6.1018 -6.1018 -5.6462 -5.6462 -5.5656 -5.5656 -0.2730 -0.2730 -0.0869 -0.0869 1.1916 1.1916 1.2930 1.2930 2.1690 2.1690 2.6025 2.6025 2.9855 2.9855 3.2089 3.2089 3.3320 3.3320 3.4138 3.4138 3.6858 3.6858 3.8347 3.8347 6.9213 6.9213 7.2508 7.2508 7.7594 7.7594 7.8913 7.8913 8.4446 8.4446 k = 0.2752 0.5087 0.4705 ( 7728 PWs) bands (ev): -25.8716 -25.8716 -25.8592 -25.8592 -9.6264 -9.6264 -9.5630 -9.5630 -9.3422 -9.3422 -9.3151 -9.3151 -9.2565 -9.2565 -9.2371 -9.2371 -6.2353 -6.2353 -6.1127 -6.1127 -5.6404 -5.6404 -5.5714 -5.5714 -0.2563 -0.2563 -0.0997 -0.0997 1.1904 1.1904 1.2761 1.2761 2.1919 2.1919 2.5749 2.5749 3.0256 3.0256 3.2074 3.2074 3.3277 3.3277 3.4102 3.4102 3.6904 3.6904 3.8215 3.8215 6.9653 6.9653 7.2636 7.2636 7.7123 7.7123 7.8148 7.8148 8.4949 8.4949 k = 0.2702 0.4994 0.4901 ( 7732 PWs) bands (ev): -25.8704 -25.8704 -25.8605 -25.8605 -9.6189 -9.6189 -9.5680 -9.5680 -9.3408 -9.3408 -9.3192 -9.3192 -9.2545 -9.2545 -9.2391 -9.2391 -6.2245 -6.2245 -6.1238 -6.1238 -5.6344 -5.6344 -5.5780 -5.5780 -0.2389 -0.2389 -0.1130 -0.1130 1.1893 1.1893 1.2602 1.2602 2.2205 2.2205 2.5422 2.5422 3.0629 3.0629 3.2019 3.2019 3.3274 3.3274 3.4050 3.4050 3.6985 3.6985 3.8083 3.8083 7.0111 7.0111 7.2749 7.2749 7.6706 7.6706 7.7389 7.7389 8.5455 8.5455 k = 0.2651 0.4901 0.5097 ( 7728 PWs) bands (ev): -25.8692 -25.8692 -25.8617 -25.8617 -9.6116 -9.6116 -9.5733 -9.5733 -9.3391 -9.3391 -9.3230 -9.3230 -9.2525 -9.2525 -9.2411 -9.2411 -6.2129 -6.2129 -6.1353 -6.1353 -5.6281 -5.6281 -5.5852 -5.5852 -0.2213 -0.2213 -0.1268 -0.1268 1.1893 1.1893 1.2452 1.2452 2.2542 2.2542 2.5054 2.5054 3.0963 3.0963 3.1937 3.1937 3.3306 3.3306 3.3978 3.3978 3.7096 3.7096 3.7948 3.7948 7.0585 7.0585 7.2808 7.2808 7.6343 7.6343 7.6710 7.6710 8.5892 8.5892 k = 0.2601 0.4808 0.5293 ( 7728 PWs) bands (ev): -25.8679 -25.8679 -25.8629 -25.8629 -9.6046 -9.6046 -9.5790 -9.5790 -9.3372 -9.3372 -9.3264 -9.3264 -9.2506 -9.2506 -9.2430 -9.2430 -6.2006 -6.2006 -6.1474 -6.1474 -5.6215 -5.6215 -5.5927 -5.5927 -0.2038 -0.2038 -0.1410 -0.1410 1.1915 1.1915 1.2312 1.2312 2.2922 2.2922 2.4651 2.4651 3.1246 3.1246 3.1837 3.1837 3.3374 3.3374 3.3882 3.3882 3.7229 3.7229 3.7810 3.7810 7.1070 7.1070 7.2749 7.2749 7.6019 7.6019 7.6221 7.6221 8.6253 8.6253 k = 0.2550 0.4714 0.5489 ( 7731 PWs) bands (ev): -25.8667 -25.8667 -25.8642 -25.8642 -9.5978 -9.5978 -9.5849 -9.5849 -9.3350 -9.3350 -9.3296 -9.3296 -9.2487 -9.2487 -9.2449 -9.2449 -6.1875 -6.1875 -6.1602 -6.1602 -5.6146 -5.6146 -5.6003 -5.6003 -0.1869 -0.1869 -0.1556 -0.1556 1.1968 1.1968 1.2182 1.2182 2.3337 2.3337 2.4224 2.4224 3.1466 3.1466 3.1728 3.1728 3.3478 3.3478 3.3762 3.3762 3.7375 3.7375 3.7669 3.7669 7.1565 7.1565 7.2502 7.2502 7.5800 7.5800 7.5949 7.5949 8.6583 8.6583 k = 0.2500 0.4621 0.5685 ( 7740 PWs) bands (ev): -25.8654 -25.8654 -25.8654 -25.8654 -9.5912 -9.5912 -9.5912 -9.5912 -9.3324 -9.3324 -9.3324 -9.3324 -9.2468 -9.2468 -9.2468 -9.2468 -6.1738 -6.1738 -6.1737 -6.1737 -5.6076 -5.6076 -5.6076 -5.6076 -0.1709 -0.1709 -0.1708 -0.1708 1.2061 1.2061 1.2062 1.2062 2.3778 2.3778 2.3778 2.3778 3.1615 3.1615 3.1616 3.1616 3.3617 3.3617 3.3617 3.3617 3.7523 3.7523 3.7524 3.7524 7.2067 7.2067 7.2068 7.2068 7.5800 7.5800 7.5800 7.5800 8.6893 8.6894 k = 0.2500 0.4621 0.5685 ( 7740 PWs) bands (ev): -25.8654 -25.8654 -25.8654 -25.8654 -9.5912 -9.5912 -9.5912 -9.5912 -9.3324 -9.3324 -9.3324 -9.3324 -9.2468 -9.2468 -9.2468 -9.2468 -6.1738 -6.1738 -6.1737 -6.1737 -5.6076 -5.6076 -5.6076 -5.6076 -0.1709 -0.1709 -0.1708 -0.1708 1.2061 1.2061 1.2062 1.2062 2.3778 2.3778 2.3778 2.3778 3.1615 3.1615 3.1616 3.1616 3.3617 3.3617 3.3617 3.3617 3.7523 3.7523 3.7524 3.7524 7.2067 7.2067 7.2068 7.2068 7.5800 7.5800 7.5800 7.5800 8.6893 8.6894 k = 0.2361 0.4696 0.5527 ( 7728 PWs) bands (ev): -25.8654 -25.8654 -25.8654 -25.8654 -9.5912 -9.5912 -9.5912 -9.5912 -9.3324 -9.3324 -9.3324 -9.3324 -9.2468 -9.2468 -9.2468 -9.2468 -6.1740 -6.1740 -6.1739 -6.1739 -5.6074 -5.6074 -5.6073 -5.6073 -0.1717 -0.1717 -0.1714 -0.1714 1.2071 1.2071 1.2079 1.2079 2.3777 2.3777 2.3786 2.3786 3.1562 3.1562 3.1637 3.1637 3.3558 3.3558 3.3671 3.3671 3.7494 3.7494 3.7560 3.7560 7.2020 7.2020 7.2038 7.2038 7.5826 7.5826 7.5913 7.5913 8.6773 8.6778 k = 0.2222 0.4771 0.5369 ( 7728 PWs) bands (ev): -25.8654 -25.8654 -25.8654 -25.8654 -9.5912 -9.5912 -9.5912 -9.5912 -9.3324 -9.3324 -9.3324 -9.3324 -9.2468 -9.2468 -9.2468 -9.2468 -6.1745 -6.1745 -6.1744 -6.1744 -5.6068 -5.6068 -5.6067 -5.6067 -0.1739 -0.1739 -0.1732 -0.1732 1.2108 1.2108 1.2123 1.2123 2.3782 2.3782 2.3800 2.3800 3.1482 3.1482 3.1625 3.1625 3.3497 3.3497 3.3714 3.3714 3.7473 3.7473 3.7601 3.7601 7.1910 7.1910 7.1937 7.1937 7.5987 7.5987 7.6152 7.6152 8.6545 8.6547 k = 0.2083 0.4846 0.5211 ( 7730 PWs) bands (ev): -25.8654 -25.8654 -25.8654 -25.8654 -9.5912 -9.5912 -9.5912 -9.5912 -9.3324 -9.3324 -9.3324 -9.3324 -9.2468 -9.2468 -9.2468 -9.2468 -6.1753 -6.1753 -6.1753 -6.1753 -5.6058 -5.6058 -5.6057 -5.6057 -0.1773 -0.1773 -0.1764 -0.1764 1.2170 1.2170 1.2191 1.2191 2.3793 2.3793 2.3819 2.3819 3.1381 3.1381 3.1581 3.1581 3.3437 3.3437 3.3739 3.3739 3.7463 3.7463 3.7645 3.7645 7.1759 7.1759 7.1786 7.1786 7.6260 7.6260 7.6488 7.6488 8.6302 8.6305 k = 0.1944 0.4922 0.5053 ( 7734 PWs) bands (ev): -25.8654 -25.8654 -25.8654 -25.8654 -9.5912 -9.5912 -9.5912 -9.5912 -9.3323 -9.3323 -9.3323 -9.3323 -9.2469 -9.2469 -9.2468 -9.2468 -6.1765 -6.1765 -6.1764 -6.1764 -5.6044 -5.6044 -5.6043 -5.6043 -0.1818 -0.1818 -0.1807 -0.1807 1.2256 1.2256 1.2283 1.2283 2.3810 2.3810 2.3845 2.3845 3.1266 3.1266 3.1509 3.1509 3.3373 3.3373 3.3739 3.3739 3.7466 3.7466 3.7692 3.7692 7.1590 7.1590 7.1609 7.1609 7.6616 7.6616 7.6895 7.6895 8.6097 8.6119 k = 0.1806 0.4997 0.4895 ( 7730 PWs) bands (ev): -25.8654 -25.8654 -25.8654 -25.8654 -9.5912 -9.5912 -9.5912 -9.5912 -9.3323 -9.3323 -9.3323 -9.3323 -9.2469 -9.2469 -9.2468 -9.2468 -6.1779 -6.1779 -6.1778 -6.1778 -5.6027 -5.6027 -5.6026 -5.6026 -0.1872 -0.1872 -0.1859 -0.1859 1.2362 1.2362 1.2395 1.2395 2.3833 2.3833 2.3876 2.3876 3.1141 3.1141 3.1414 3.1414 3.3303 3.3303 3.3710 3.3710 3.7484 3.7484 3.7742 3.7742 7.1418 7.1418 7.1424 7.1424 7.7032 7.7032 7.7348 7.7348 8.5954 8.5996 k = 0.1667 0.5072 0.4737 ( 7738 PWs) bands (ev): -25.8654 -25.8654 -25.8654 -25.8654 -9.5912 -9.5912 -9.5912 -9.5912 -9.3322 -9.3322 -9.3322 -9.3322 -9.2469 -9.2469 -9.2468 -9.2468 -6.1795 -6.1795 -6.1794 -6.1794 -5.6008 -5.6008 -5.6006 -5.6006 -0.1935 -0.1935 -0.1920 -0.1920 1.2486 1.2486 1.2523 1.2523 2.3862 2.3862 2.3911 2.3911 3.1013 3.1013 3.1305 3.1305 3.3222 3.3222 3.3649 3.3649 3.7517 3.7517 3.7794 3.7794 7.1245 7.1245 7.1255 7.1255 7.7488 7.7488 7.7831 7.7831 8.5884 8.5885 k = 0.1528 0.5147 0.4579 ( 7728 PWs) bands (ev): -25.8654 -25.8654 -25.8654 -25.8654 -9.5912 -9.5912 -9.5912 -9.5912 -9.3322 -9.3322 -9.3321 -9.3321 -9.2469 -9.2469 -9.2468 -9.2468 -6.1813 -6.1813 -6.1811 -6.1811 -5.5986 -5.5986 -5.5985 -5.5985 -0.2002 -0.2002 -0.1986 -0.1986 1.2623 1.2623 1.2663 1.2663 2.3897 2.3897 2.3952 2.3952 3.0888 3.0888 3.1189 3.1189 3.3127 3.3127 3.3556 3.3556 3.7564 3.7564 3.7847 3.7847 7.1079 7.1079 7.1105 7.1105 7.7971 7.7971 7.8328 7.8328 8.5895 8.5898 k = 0.1389 0.5222 0.4422 ( 7726 PWs) bands (ev): -25.8654 -25.8654 -25.8654 -25.8654 -9.5912 -9.5912 -9.5912 -9.5912 -9.3321 -9.3321 -9.3321 -9.3321 -9.2469 -9.2469 -9.2468 -9.2468 -6.1831 -6.1831 -6.1830 -6.1830 -5.5963 -5.5963 -5.5962 -5.5962 -0.2073 -0.2073 -0.2056 -0.2056 1.2770 1.2770 1.2812 1.2812 2.3937 2.3937 2.3996 2.3996 3.0768 3.0768 3.1071 3.1071 3.3016 3.3016 3.3434 3.3434 3.7623 3.7623 3.7901 3.7901 7.0931 7.0931 7.0970 7.0970 7.8473 7.8473 7.8834 7.8834 8.5984 8.5987 k = 0.1250 0.5297 0.4264 ( 7736 PWs) bands (ev): -25.8654 -25.8654 -25.8654 -25.8654 -9.5912 -9.5912 -9.5912 -9.5912 -9.3320 -9.3320 -9.3320 -9.3320 -9.2469 -9.2469 -9.2469 -9.2469 -6.1850 -6.1850 -6.1849 -6.1849 -5.5940 -5.5940 -5.5938 -5.5938 -0.2144 -0.2144 -0.2128 -0.2128 1.2922 1.2922 1.2964 1.2964 2.3980 2.3980 2.4042 2.4042 3.0659 3.0659 3.0958 3.0958 3.2891 3.2891 3.3287 3.3287 3.7691 3.7691 3.7955 3.7955 7.0800 7.0800 7.0850 7.0850 7.8989 7.8989 7.9342 7.9342 8.6143 8.6150 k = 0.1111 0.5372 0.4106 ( 7734 PWs) bands (ev): -25.8654 -25.8654 -25.8654 -25.8654 -9.5912 -9.5912 -9.5912 -9.5912 -9.3320 -9.3320 -9.3319 -9.3319 -9.2469 -9.2469 -9.2469 -9.2469 -6.1869 -6.1869 -6.1868 -6.1868 -5.5916 -5.5916 -5.5915 -5.5915 -0.2214 -0.2214 -0.2198 -0.2198 1.3073 1.3073 1.3115 1.3115 2.4027 2.4027 2.4090 2.4090 3.0563 3.0563 3.0853 3.0853 3.2753 3.2753 3.3120 3.3120 3.7763 3.7763 3.8006 3.8006 7.0688 7.0688 7.0746 7.0746 7.9517 7.9517 7.9853 7.9853 8.6353 8.6354 k = 0.0972 0.5448 0.3948 ( 7742 PWs) bands (ev): -25.8654 -25.8654 -25.8654 -25.8654 -9.5912 -9.5912 -9.5912 -9.5912 -9.3319 -9.3319 -9.3319 -9.3319 -9.2469 -9.2469 -9.2469 -9.2469 -6.1888 -6.1888 -6.1886 -6.1886 -5.5894 -5.5894 -5.5893 -5.5893 -0.2281 -0.2281 -0.2266 -0.2266 1.3221 1.3221 1.3261 1.3261 2.4076 2.4076 2.4138 2.4138 3.0483 3.0483 3.0759 3.0759 3.2607 3.2607 3.2940 3.2940 3.7837 3.7837 3.8055 3.8055 7.0592 7.0592 7.0655 7.0655 8.0058 8.0058 8.0369 8.0369 8.6555 8.6558 k = 0.0833 0.5523 0.3790 ( 7740 PWs) bands (ev): -25.8654 -25.8654 -25.8654 -25.8654 -9.5912 -9.5912 -9.5912 -9.5912 -9.3318 -9.3318 -9.3318 -9.3318 -9.2469 -9.2469 -9.2469 -9.2469 -6.1904 -6.1904 -6.1903 -6.1903 -5.5873 -5.5873 -5.5872 -5.5872 -0.2343 -0.2343 -0.2329 -0.2329 1.3360 1.3360 1.3396 1.3396 2.4125 2.4125 2.4184 2.4184 3.0422 3.0422 3.0679 3.0679 3.2458 3.2458 3.2754 3.2754 3.7909 3.7909 3.8099 3.8099 7.0513 7.0513 7.0575 7.0575 8.0613 8.0613 8.0893 8.0893 8.6736 8.6736 k = 0.0694 0.5598 0.3632 ( 7738 PWs) bands (ev): -25.8654 -25.8654 -25.8654 -25.8654 -9.5912 -9.5912 -9.5912 -9.5912 -9.3318 -9.3318 -9.3318 -9.3318 -9.2469 -9.2469 -9.2469 -9.2469 -6.1920 -6.1920 -6.1919 -6.1919 -5.5854 -5.5854 -5.5853 -5.5853 -0.2398 -0.2398 -0.2386 -0.2386 1.3486 1.3486 1.3518 1.3518 2.4173 2.4173 2.4227 2.4227 3.0380 3.0380 3.0612 3.0612 3.2313 3.2313 3.2571 3.2571 3.7977 3.7977 3.8137 3.8137 7.0449 7.0449 7.0508 7.0508 8.1182 8.1182 8.1428 8.1428 8.6852 8.6852 k = 0.0556 0.5673 0.3474 ( 7728 PWs) bands (ev): -25.8654 -25.8654 -25.8654 -25.8654 -9.5912 -9.5912 -9.5912 -9.5912 -9.3317 -9.3317 -9.3317 -9.3317 -9.2469 -9.2469 -9.2469 -9.2469 -6.1933 -6.1933 -6.1932 -6.1932 -5.5838 -5.5838 -5.5837 -5.5837 -0.2444 -0.2444 -0.2434 -0.2434 1.3595 1.3595 1.3622 1.3622 2.4217 2.4217 2.4264 2.4264 3.0357 3.0357 3.0558 3.0558 3.2182 3.2182 3.2398 3.2398 3.8039 3.8039 3.8167 3.8167 7.0399 7.0399 7.0451 7.0451 8.1759 8.1759 8.1968 8.1968 8.6853 8.6951 k = 0.0417 0.5748 0.3316 ( 7722 PWs) bands (ev): -25.8654 -25.8654 -25.8654 -25.8654 -9.5912 -9.5912 -9.5912 -9.5912 -9.3317 -9.3317 -9.3317 -9.3317 -9.2469 -9.2469 -9.2469 -9.2469 -6.1943 -6.1943 -6.1943 -6.1943 -5.5825 -5.5825 -5.5824 -5.5824 -0.2481 -0.2481 -0.2474 -0.2474 1.3685 1.3685 1.3706 1.3706 2.4256 2.4256 2.4293 2.4293 3.0352 3.0352 3.0515 3.0515 3.2073 3.2073 3.2243 3.2243 3.8092 3.8092 3.8188 3.8188 7.0363 7.0363 7.0404 7.0404 8.2332 8.2332 8.2501 8.2501 8.6713 8.6713 k = 0.0278 0.5823 0.3158 ( 7730 PWs) bands (ev): -25.8654 -25.8654 -25.8654 -25.8654 -9.5912 -9.5912 -9.5912 -9.5912 -9.3317 -9.3317 -9.3317 -9.3317 -9.2469 -9.2469 -9.2469 -9.2469 -6.1951 -6.1951 -6.1950 -6.1950 -5.5815 -5.5815 -5.5814 -5.5814 -0.2508 -0.2508 -0.2503 -0.2503 1.3752 1.3752 1.3766 1.3766 2.4287 2.4287 2.4313 2.4313 3.0363 3.0363 3.0478 3.0478 3.1996 3.1996 3.2114 3.2114 3.8135 3.8135 3.8199 3.8199 7.0339 7.0339 7.0368 7.0368 8.2868 8.2868 8.2993 8.2993 8.6461 8.6461 k = 0.0139 0.5898 0.3000 ( 7718 PWs) bands (ev): -25.8654 -25.8654 -25.8654 -25.8654 -9.5912 -9.5912 -9.5912 -9.5912 -9.3316 -9.3316 -9.3316 -9.3316 -9.2469 -9.2469 -9.2469 -9.2469 -6.1956 -6.1956 -6.1955 -6.1955 -5.5809 -5.5809 -5.5808 -5.5808 -0.2524 -0.2524 -0.2521 -0.2521 1.3794 1.3794 1.3802 1.3802 2.4309 2.4309 2.4323 2.4323 3.0385 3.0385 3.0444 3.0444 3.1959 3.1959 3.2020 3.2020 3.8168 3.8168 3.8200 3.8200 7.0328 7.0328 7.0343 7.0343 8.3300 8.3300 8.3369 8.3369 8.6196 8.6196 k = 0.0000 0.5973 0.2842 ( 7722 PWs) bands (ev): -25.8654 -25.8654 -25.8654 -25.8654 -9.5912 -9.5912 -9.5912 -9.5912 -9.3316 -9.3316 -9.3316 -9.3316 -9.2469 -9.2469 -9.2469 -9.2469 -6.1957 -6.1957 -6.1957 -6.1957 -5.5807 -5.5807 -5.5806 -5.5806 -0.2529 -0.2529 -0.2528 -0.2528 1.3811 1.3811 1.3811 1.3811 2.4321 2.4321 2.4322 2.4322 3.0413 3.0413 3.0413 3.0413 3.1967 3.1967 3.1967 3.1967 3.8190 3.8190 3.8190 3.8190 7.0329 7.0329 7.0330 7.0330 8.3498 8.3498 8.3498 8.3498 8.6077 8.6077 k = 0.0000 0.5973 0.2842 ( 7722 PWs) bands (ev): -25.8654 -25.8654 -25.8654 -25.8654 -9.5912 -9.5912 -9.5912 -9.5912 -9.3316 -9.3316 -9.3316 -9.3316 -9.2469 -9.2469 -9.2469 -9.2469 -6.1957 -6.1957 -6.1957 -6.1957 -5.5807 -5.5807 -5.5806 -5.5806 -0.2529 -0.2529 -0.2528 -0.2528 1.3811 1.3811 1.3811 1.3811 2.4321 2.4321 2.4322 2.4322 3.0413 3.0413 3.0413 3.0413 3.1967 3.1967 3.1967 3.1967 3.8190 3.8190 3.8190 3.8190 7.0329 7.0329 7.0330 7.0330 8.3498 8.3498 8.3498 8.3498 8.6077 8.6077 k =-0.0172 0.5915 0.2966 ( 7720 PWs) bands (ev): -25.8670 -25.8670 -25.8639 -25.8639 -9.5995 -9.5995 -9.5833 -9.5833 -9.3346 -9.3346 -9.3281 -9.3281 -9.2498 -9.2498 -9.2441 -9.2441 -6.2054 -6.2054 -6.1852 -6.1852 -5.5820 -5.5820 -5.5803 -5.5803 -0.2767 -0.2767 -0.2271 -0.2271 1.3563 1.3563 1.4043 1.4043 2.3979 2.3979 2.4663 2.4663 2.9969 2.9969 3.0797 3.0797 3.1728 3.1728 3.2284 3.2284 3.8080 3.8080 3.8309 3.8309 7.0226 7.0226 7.0398 7.0398 8.3377 8.3377 8.3644 8.3644 8.5591 8.5591 k =-0.0345 0.5856 0.3090 ( 7716 PWs) bands (ev): -25.8685 -25.8685 -25.8623 -25.8623 -9.6083 -9.6083 -9.5759 -9.5759 -9.3372 -9.3372 -9.3241 -9.3241 -9.2526 -9.2526 -9.2413 -9.2413 -6.2143 -6.2143 -6.1738 -6.1738 -5.5842 -5.5842 -5.5808 -5.5808 -0.2982 -0.2982 -0.1998 -0.1998 1.3301 1.3301 1.4257 1.4257 2.3639 2.3639 2.5001 2.5001 2.9494 2.9494 3.1011 3.1011 3.1686 3.1686 3.2643 3.2643 3.7982 3.7982 3.8435 3.8435 7.0087 7.0087 7.0432 7.0432 8.3268 8.3268 8.3816 8.3816 8.5066 8.5066 k =-0.0517 0.5797 0.3213 ( 7722 PWs) bands (ev): -25.8701 -25.8701 -25.8607 -25.8607 -9.6175 -9.6175 -9.5691 -9.5691 -9.3393 -9.3393 -9.3196 -9.3196 -9.2554 -9.2554 -9.2386 -9.2386 -6.2223 -6.2223 -6.1616 -6.1616 -5.5873 -5.5873 -5.5822 -5.5822 -0.3171 -0.3171 -0.1716 -0.1716 1.3030 1.3030 1.4453 1.4453 2.3305 2.3305 2.5329 2.5329 2.9001 2.9001 3.0971 3.0971 3.1928 3.1928 3.3019 3.3019 3.7899 3.7899 3.8567 3.8567 6.9915 6.9915 7.0435 7.0435 8.3147 8.3147 8.3971 8.3971 8.4569 8.4569 k =-0.0689 0.5738 0.3337 ( 7727 PWs) bands (ev): -25.8717 -25.8717 -25.8592 -25.8592 -9.6269 -9.6269 -9.5629 -9.5629 -9.3411 -9.3411 -9.3145 -9.3145 -9.2583 -9.2583 -9.2359 -9.2359 -6.2297 -6.2297 -6.1485 -6.1485 -5.5911 -5.5911 -5.5846 -5.5846 -0.3332 -0.3332 -0.1432 -0.1432 1.2758 1.2758 1.4633 1.4633 2.2980 2.2980 2.5641 2.5641 2.8503 2.8503 3.0855 3.0855 3.2275 3.2275 3.3397 3.3397 3.7835 3.7835 3.8704 3.8704 6.9713 6.9713 7.0410 7.0410 8.2982 8.2982 8.3762 8.3762 8.4470 8.4470 k =-0.0862 0.5679 0.3460 ( 7717 PWs) bands (ev): -25.8732 -25.8732 -25.8576 -25.8576 -9.6367 -9.6367 -9.5573 -9.5573 -9.3424 -9.3424 -9.3089 -9.3089 -9.2611 -9.2611 -9.2332 -9.2332 -6.2363 -6.2363 -6.1346 -6.1346 -5.5956 -5.5956 -5.5879 -5.5879 -0.3465 -0.3465 -0.1154 -0.1154 1.2494 1.2494 1.4798 1.4798 2.2664 2.2664 2.5923 2.5923 2.8017 2.8017 3.0749 3.0749 3.2635 3.2635 3.3763 3.3763 3.7793 3.7793 3.8845 3.8845 6.9488 6.9488 7.0360 7.0360 8.2726 8.2726 8.3266 8.3266 8.4722 8.4722 k =-0.1034 0.5621 0.3584 ( 7714 PWs) bands (ev): -25.8747 -25.8747 -25.8561 -25.8561 -9.6467 -9.6467 -9.5522 -9.5522 -9.3435 -9.3435 -9.3028 -9.3028 -9.2639 -9.2639 -9.2306 -9.2306 -6.2422 -6.2422 -6.1198 -6.1198 -5.6008 -5.6008 -5.5921 -5.5921 -0.3566 -0.3566 -0.0892 -0.0892 1.2248 1.2248 1.4953 1.4953 2.2361 2.2361 2.6141 2.6141 2.7583 2.7583 3.0668 3.0668 3.2979 3.2979 3.4104 3.4104 3.7779 3.7779 3.8990 3.8990 6.9250 6.9250 7.0286 7.0286 8.2339 8.2339 8.2789 8.2789 8.5043 8.5043 k =-0.1206 0.5562 0.3708 ( 7720 PWs) bands (ev): -25.8762 -25.8762 -25.8546 -25.8546 -9.6568 -9.6568 -9.5477 -9.5477 -9.3443 -9.3443 -9.2962 -9.2962 -9.2667 -9.2667 -9.2280 -9.2280 -6.2475 -6.2475 -6.1042 -6.1042 -5.6066 -5.6066 -5.5972 -5.5972 -0.3638 -0.3638 -0.0655 -0.0655 1.2034 1.2034 1.5098 1.5098 2.2070 2.2070 2.6192 2.6192 2.7306 2.7306 3.0614 3.0614 3.3294 3.3294 3.4416 3.4416 3.7792 3.7792 3.9138 3.9138 6.9010 6.9010 7.0188 7.0188 8.1861 8.1861 8.2324 8.2324 8.5390 8.5390 k =-0.1379 0.5503 0.3831 ( 7720 PWs) bands (ev): -25.8777 -25.8777 -25.8531 -25.8531 -9.6671 -9.6671 -9.5438 -9.5438 -9.3448 -9.3448 -9.2892 -9.2892 -9.2694 -9.2694 -9.2255 -9.2255 -6.2523 -6.2523 -6.0879 -6.0879 -5.6130 -5.6130 -5.6031 -5.6031 -0.3678 -0.3678 -0.0457 -0.0457 1.1866 1.1866 1.5238 1.5238 2.1793 2.1793 2.5961 2.5961 2.7305 2.7305 3.0584 3.0584 3.3565 3.3565 3.4696 3.4696 3.7832 3.7832 3.9290 3.9290 6.8781 6.8781 7.0064 7.0064 8.1361 8.1361 8.1826 8.1826 8.5742 8.5742 k =-0.1551 0.5444 0.3955 ( 7721 PWs) bands (ev): -25.8792 -25.8792 -25.8516 -25.8516 -9.6774 -9.6774 -9.5404 -9.5404 -9.3452 -9.3452 -9.2818 -9.2818 -9.2720 -9.2720 -9.2231 -9.2231 -6.2565 -6.2565 -6.0707 -6.0707 -5.6198 -5.6198 -5.6098 -5.6098 -0.3689 -0.3689 -0.0309 -0.0309 1.1758 1.1758 1.5376 1.5376 2.1530 2.1530 2.5557 2.5557 2.7474 2.7474 3.0571 3.0571 3.3782 3.3782 3.4947 3.4947 3.7893 3.7893 3.9442 3.9442 6.8580 6.8580 6.9911 6.9911 8.0862 8.0862 8.1306 8.1306 8.6025 8.6025 k =-0.1723 0.5385 0.4078 ( 7726 PWs) bands (ev): -25.8806 -25.8806 -25.8501 -25.8501 -9.6877 -9.6877 -9.5375 -9.5375 -9.3453 -9.3453 -9.2762 -9.2762 -9.2725 -9.2725 -9.2207 -9.2207 -6.2604 -6.2604 -6.0529 -6.0529 -5.6269 -5.6269 -5.6171 -5.6171 -0.3670 -0.3670 -0.0221 -0.0221 1.1722 1.1722 1.5514 1.5514 2.1283 2.1283 2.5101 2.5101 2.7696 2.7696 3.0572 3.0572 3.3940 3.3940 3.5169 3.5169 3.7967 3.7967 3.9593 3.9593 6.8423 6.8423 6.9724 6.9724 8.0351 8.0351 8.0815 8.0815 8.5617 8.5617 k =-0.1896 0.5327 0.4202 ( 7720 PWs) bands (ev): -25.8821 -25.8821 -25.8487 -25.8487 -9.6980 -9.6980 -9.5351 -9.5351 -9.3453 -9.3453 -9.2779 -9.2779 -9.2653 -9.2653 -9.2184 -9.2184 -6.2639 -6.2639 -6.0344 -6.0344 -5.6344 -5.6344 -5.6250 -5.6250 -0.3623 -0.3623 -0.0200 -0.0200 1.1767 1.1767 1.5656 1.5656 2.1052 2.1052 2.4636 2.4636 2.7928 2.7928 3.0579 3.0579 3.4041 3.4041 3.5361 3.5361 3.8042 3.8042 3.9739 3.9739 6.8324 6.8324 6.9494 6.9494 7.9819 7.9819 8.0396 8.0396 8.5002 8.5002 k =-0.2068 0.5268 0.4325 ( 7710 PWs) bands (ev): -25.8834 -25.8834 -25.8472 -25.8472 -9.7082 -9.7082 -9.5330 -9.5330 -9.3452 -9.3452 -9.2803 -9.2803 -9.2571 -9.2571 -9.2161 -9.2161 -6.2671 -6.2671 -6.0152 -6.0152 -5.6421 -5.6421 -5.6334 -5.6334 -0.3550 -0.3550 -0.0251 -0.0251 1.1899 1.1899 1.5803 1.5803 2.0838 2.0838 2.4179 2.4179 2.8157 2.8157 3.0588 3.0588 3.4093 3.4093 3.5520 3.5520 3.8106 3.8106 3.9878 3.9878 6.8298 6.8298 6.9216 6.9216 7.9289 7.9289 8.0052 8.0052 8.4332 8.4332 k =-0.2240 0.5209 0.4449 ( 7706 PWs) bands (ev): -25.8848 -25.8848 -25.8459 -25.8459 -9.7183 -9.7183 -9.5313 -9.5313 -9.3449 -9.3449 -9.2828 -9.2828 -9.2486 -9.2486 -9.2139 -9.2139 -6.2701 -6.2701 -5.9955 -5.9955 -5.6500 -5.6500 -5.6421 -5.6421 -0.3451 -0.3451 -0.0373 -0.0373 1.2117 1.2117 1.5957 1.5957 2.0644 2.0644 2.3738 2.3738 2.8377 2.8377 3.0592 3.0592 3.4104 3.4104 3.5641 3.5641 3.8146 3.8146 4.0008 4.0008 6.8353 6.8353 6.8888 6.8888 7.8795 7.8795 7.9770 7.9770 8.3634 8.3634 k =-0.2413 0.5150 0.4573 ( 7702 PWs) bands (ev): -25.8861 -25.8861 -25.8445 -25.8445 -9.7283 -9.7283 -9.5300 -9.5300 -9.3446 -9.3446 -9.2852 -9.2852 -9.2400 -9.2400 -9.2118 -9.2118 -6.2730 -6.2730 -5.9754 -5.9754 -5.6580 -5.6580 -5.6510 -5.6510 -0.3330 -0.3330 -0.0559 -0.0559 1.2415 1.2415 1.6120 1.6120 2.0472 2.0472 2.3316 2.3316 2.8584 2.8584 3.0586 3.0586 3.4084 3.4084 3.5719 3.5719 3.8151 3.8151 4.0129 4.0129 6.8403 6.8403 6.8603 6.8603 7.8358 7.8358 7.9539 7.9539 8.2928 8.2928 k =-0.2585 0.5091 0.4696 ( 7708 PWs) bands (ev): -25.8875 -25.8875 -25.8432 -25.8432 -9.7381 -9.7381 -9.5289 -9.5289 -9.3442 -9.3442 -9.2876 -9.2876 -9.2313 -9.2313 -9.2098 -9.2098 -6.2760 -6.2760 -5.9548 -5.9548 -5.6660 -5.6660 -5.6601 -5.6601 -0.3188 -0.3188 -0.0803 -0.0803 1.2783 1.2783 1.6293 1.6293 2.0327 2.0327 2.2920 2.2920 2.8777 2.8777 3.0564 3.0564 3.4039 3.4039 3.5754 3.5754 3.8111 3.8111 4.0244 4.0244 6.8009 6.8009 6.8808 6.8808 7.7989 7.7989 7.9351 7.9351 8.2231 8.2231 k =-0.2757 0.5033 0.4820 ( 7704 PWs) bands (ev): -25.8887 -25.8887 -25.8419 -25.8419 -9.7477 -9.7477 -9.5281 -9.5281 -9.3437 -9.3437 -9.2899 -9.2899 -9.2225 -9.2225 -9.2078 -9.2078 -6.2790 -6.2790 -5.9339 -5.9339 -5.6740 -5.6740 -5.6690 -5.6690 -0.3028 -0.3028 -0.1093 -0.1093 1.3206 1.3206 1.6475 1.6475 2.0213 2.0213 2.2551 2.2551 2.8952 2.8952 3.0521 3.0521 3.3972 3.3972 3.5745 3.5745 3.8019 3.8019 4.0354 4.0354 6.7509 6.7509 6.9172 6.9172 7.7689 7.7689 7.9200 7.9200 8.1556 8.1556 k =-0.2930 0.4974 0.4943 ( 7687 PWs) bands (ev): -25.8899 -25.8899 -25.8406 -25.8406 -9.7570 -9.7570 -9.5274 -9.5274 -9.3432 -9.3432 -9.2921 -9.2921 -9.2138 -9.2138 -9.2060 -9.2060 -6.2823 -6.2823 -5.9128 -5.9128 -5.6820 -5.6820 -5.6778 -5.6778 -0.2852 -0.2852 -0.1420 -0.1420 1.3667 1.3667 1.6668 1.6668 2.0137 2.0137 2.2215 2.2215 2.9107 2.9107 3.0455 3.0455 3.3887 3.3887 3.5696 3.5696 3.7873 3.7873 4.0461 4.0461 6.6963 6.6963 6.9645 6.9645 7.7451 7.7451 7.9080 7.9080 8.0916 8.0916 k =-0.3102 0.4915 0.5067 ( 7688 PWs) bands (ev): -25.8911 -25.8911 -25.8394 -25.8394 -9.7661 -9.7661 -9.5270 -9.5270 -9.3427 -9.3427 -9.2942 -9.2942 -9.2052 -9.2052 -9.2042 -9.2042 -6.2858 -6.2858 -5.8916 -5.8916 -5.6898 -5.6898 -5.6861 -5.6861 -0.2663 -0.2663 -0.1772 -0.1772 1.4144 1.4144 1.6875 1.6875 2.0103 2.0103 2.1917 2.1917 2.9240 2.9240 3.0361 3.0361 3.3784 3.3784 3.5608 3.5608 3.7675 3.7675 4.0564 4.0564 6.6388 6.6388 7.0221 7.0221 7.7261 7.7261 7.8984 7.8984 8.0327 8.0327 k =-0.3274 0.4856 0.5191 ( 7676 PWs) bands (ev): -25.8922 -25.8922 -25.8382 -25.8382 -9.7749 -9.7749 -9.5267 -9.5267 -9.3421 -9.3421 -9.2962 -9.2962 -9.2025 -9.2025 -9.1967 -9.1967 -6.2898 -6.2898 -5.8703 -5.8703 -5.6974 -5.6974 -5.6939 -5.6939 -0.2465 -0.2465 -0.2141 -0.2141 1.4612 1.4612 1.7101 1.7101 2.0117 2.0117 2.1666 2.1666 2.9346 2.9346 3.0237 3.0237 3.3664 3.3664 3.5487 3.5487 3.7429 3.7429 4.0662 4.0662 6.5800 6.5800 7.0891 7.0891 7.7100 7.7100 7.8906 7.8906 7.9807 7.9807 k =-0.3447 0.4797 0.5314 ( 7672 PWs) bands (ev): -25.8933 -25.8933 -25.8371 -25.8371 -9.7834 -9.7834 -9.5265 -9.5265 -9.3415 -9.3415 -9.2981 -9.2981 -9.2009 -9.2009 -9.1884 -9.1884 -6.2943 -6.2943 -5.8491 -5.8491 -5.7047 -5.7047 -5.7011 -5.7011 -0.2517 -0.2517 -0.2258 -0.2258 1.5039 1.5039 1.7357 1.7357 2.0173 2.0173 2.1477 2.1477 2.9422 2.9422 3.0082 3.0082 3.3528 3.3528 3.5339 3.5339 3.7145 3.7145 4.0750 4.0750 6.5214 6.5214 7.1646 7.1646 7.6944 7.6944 7.8835 7.8835 7.9382 7.9382 k =-0.3619 0.4739 0.5438 ( 7674 PWs) bands (ev): -25.8944 -25.8944 -25.8360 -25.8360 -9.7916 -9.7916 -9.5264 -9.5264 -9.3409 -9.3409 -9.2999 -9.2999 -9.1993 -9.1993 -9.1803 -9.1803 -6.2995 -6.2995 -5.8282 -5.8282 -5.7113 -5.7113 -5.7077 -5.7077 -0.2893 -0.2893 -0.2048 -0.2048 1.5395 1.5395 1.7656 1.7656 2.0254 2.0254 2.1381 2.1381 2.9460 2.9460 2.9897 2.9897 3.3379 3.3379 3.5166 3.5166 3.6829 3.6829 4.0827 4.0827 6.4646 6.4646 7.2474 7.2474 7.6769 7.6769 7.8757 7.8757 7.9081 7.9081 k =-0.3791 0.4680 0.5561 ( 7672 PWs) bands (ev): -25.8954 -25.8954 -25.8350 -25.8350 -9.7994 -9.7994 -9.5264 -9.5264 -9.3403 -9.3403 -9.3016 -9.3016 -9.1979 -9.1979 -9.1724 -9.1724 -6.3053 -6.3053 -5.8077 -5.8077 -5.7173 -5.7173 -5.7135 -5.7135 -0.3264 -0.3264 -0.1837 -0.1837 1.5657 1.5657 1.7998 1.7998 2.0329 2.0329 2.1419 2.1419 2.9440 2.9440 2.9699 2.9699 3.3220 3.3220 3.4975 3.4975 3.6490 3.6490 4.0889 4.0889 6.4107 6.4107 7.3363 7.3363 7.6560 7.6560 7.8667 7.8667 7.8919 7.8919 k =-0.3963 0.4621 0.5685 ( 7661 PWs) bands (ev): -25.8963 -25.8963 -25.8340 -25.8340 -9.8069 -9.8069 -9.5264 -9.5264 -9.3397 -9.3397 -9.3032 -9.3032 -9.1965 -9.1965 -9.1648 -9.1648 -6.3119 -6.3119 -5.7881 -5.7881 -5.7222 -5.7222 -5.7184 -5.7184 -0.3622 -0.3622 -0.1627 -0.1627 1.5828 1.5828 1.8361 1.8361 2.0388 2.0388 2.1612 2.1612 2.9292 2.9292 2.9556 2.9556 3.3055 3.3055 3.4768 3.4768 3.6135 3.6135 4.0934 4.0934 6.3611 6.3611 7.4297 7.4297 7.6319 7.6319 7.8604 7.8604 7.8850 7.8850 k =-0.3963 0.4621 0.5685 ( 7661 PWs) bands (ev): -25.8963 -25.8963 -25.8340 -25.8340 -9.8069 -9.8069 -9.5264 -9.5264 -9.3397 -9.3397 -9.3032 -9.3032 -9.1965 -9.1965 -9.1648 -9.1648 -6.3119 -6.3119 -5.7881 -5.7881 -5.7222 -5.7222 -5.7184 -5.7184 -0.3622 -0.3622 -0.1627 -0.1627 1.5828 1.5828 1.8361 1.8361 2.0388 2.0388 2.1612 2.1612 2.9292 2.9292 2.9556 2.9556 3.3055 3.3055 3.4768 3.4768 3.6135 3.6135 4.0934 4.0934 6.3611 6.3611 7.4297 7.4297 7.6319 7.6319 7.8604 7.8604 7.8850 7.8850 k =-0.4067 0.4429 0.5685 ( 7657 PWs) bands (ev): -25.8978 -25.8978 -25.8325 -25.8325 -9.8182 -9.8182 -9.5266 -9.5266 -9.3388 -9.3388 -9.3055 -9.3055 -9.1944 -9.1944 -9.1531 -9.1531 -6.3228 -6.3228 -5.7583 -5.7583 -5.7290 -5.7290 -5.7251 -5.7251 -0.4175 -0.4175 -0.1295 -0.1295 1.6025 1.6025 1.8950 1.8950 2.0438 2.0438 2.2130 2.2130 2.8926 2.8926 2.9397 2.9397 3.2764 3.2764 3.4424 3.4424 3.5527 3.5527 4.0992 4.0992 6.2869 6.2869 7.5860 7.5860 7.5931 7.5931 7.8559 7.8559 7.8797 7.8797 k =-0.4171 0.4238 0.5685 ( 7657 PWs) bands (ev): -25.8991 -25.8991 -25.8311 -25.8311 -9.8286 -9.8286 -9.5269 -9.5269 -9.3379 -9.3379 -9.3077 -9.3077 -9.1925 -9.1925 -9.1424 -9.1424 -6.3327 -6.3327 -5.7352 -5.7352 -5.7312 -5.7312 -5.7307 -5.7307 -0.4686 -0.4686 -0.0977 -0.0977 1.6193 1.6193 1.9541 1.9541 2.0453 2.0453 2.2748 2.2748 2.8571 2.8571 2.9253 2.9253 3.2421 3.2421 3.4106 3.4106 3.4874 3.4874 4.1048 4.1048 6.2184 6.2184 7.5583 7.5583 7.7423 7.7423 7.8535 7.8535 7.8765 7.8765 k =-0.4274 0.4046 0.5685 ( 7665 PWs) bands (ev): -25.9003 -25.9003 -25.8299 -25.8299 -9.8378 -9.8378 -9.5272 -9.5272 -9.3370 -9.3370 -9.3096 -9.3096 -9.1908 -9.1908 -9.1326 -9.1326 -6.3415 -6.3415 -5.7406 -5.7406 -5.7366 -5.7366 -5.7057 -5.7057 -0.5150 -0.5150 -0.0681 -0.0681 1.6328 1.6328 2.0126 2.0126 2.0475 2.0475 2.3416 2.3416 2.8240 2.8240 2.9124 2.9124 3.2020 3.2020 3.3832 3.3832 3.4186 3.4186 4.1101 4.1101 6.1563 6.1563 7.5275 7.5275 7.8528 7.8528 7.8745 7.8745 7.8876 7.8876 k =-0.4378 0.3855 0.5685 ( 7673 PWs) bands (ev): -25.9014 -25.9014 -25.8289 -25.8289 -9.8459 -9.8459 -9.5276 -9.5276 -9.3363 -9.3363 -9.3113 -9.3113 -9.1894 -9.1894 -9.1240 -9.1240 -6.3492 -6.3492 -5.7454 -5.7454 -5.7414 -5.7414 -5.6836 -5.6836 -0.5562 -0.5562 -0.0411 -0.0411 1.6430 1.6430 2.0515 2.0515 2.0696 2.0696 2.4115 2.4115 2.7945 2.7945 2.9011 2.9011 3.1567 3.1567 3.3467 3.3467 3.3610 3.3610 4.1150 4.1150 6.1011 6.1011 7.5007 7.5007 7.8531 7.8531 7.8743 7.8743 7.9944 7.9944 k =-0.4482 0.3663 0.5685 ( 7685 PWs) bands (ev): -25.9023 -25.9023 -25.8280 -25.8280 -9.8528 -9.8528 -9.5280 -9.5280 -9.3356 -9.3356 -9.3128 -9.3128 -9.1881 -9.1881 -9.1166 -9.1166 -6.3558 -6.3558 -5.7494 -5.7494 -5.7454 -5.7454 -5.6644 -5.6644 -0.5917 -0.5917 -0.0171 -0.0171 1.6504 1.6504 2.0569 2.0569 2.1237 2.1237 2.4837 2.4837 2.7699 2.7699 2.8914 2.8914 3.1081 3.1081 3.2726 3.2726 3.3436 3.3436 4.1193 4.1193 6.0533 6.0533 7.4781 7.4781 7.8541 7.8541 7.8745 7.8745 8.0428 8.0428 k =-0.4585 0.3471 0.5685 ( 7673 PWs) bands (ev): -25.9030 -25.9030 -25.8272 -25.8272 -9.8585 -9.8585 -9.5283 -9.5283 -9.3350 -9.3350 -9.3139 -9.3139 -9.1871 -9.1871 -9.1105 -9.1105 -6.3611 -6.3611 -5.7528 -5.7528 -5.7487 -5.7487 -5.6484 -5.6484 -0.6213 -0.6213 0.0033 0.0033 1.6554 1.6554 2.0630 2.0630 2.1731 2.1731 2.5576 2.5576 2.7515 2.7515 2.8833 2.8833 3.0587 3.0587 3.1970 3.1970 3.3303 3.3303 4.1230 4.1230 6.0134 6.0134 7.4596 7.4596 7.8554 7.8554 7.8752 7.8752 8.0554 8.0554 k =-0.4689 0.3280 0.5685 ( 7684 PWs) bands (ev): -25.9036 -25.9036 -25.8266 -25.8266 -9.8629 -9.8629 -9.5286 -9.5286 -9.3346 -9.3346 -9.3149 -9.3149 -9.1863 -9.1863 -9.1056 -9.1056 -6.3654 -6.3654 -5.7554 -5.7554 -5.7513 -5.7513 -5.6357 -5.6357 -0.6446 -0.6446 0.0197 0.0197 1.6586 1.6586 2.0689 2.0689 2.2156 2.2156 2.6324 2.6324 2.7401 2.7401 2.8768 2.8768 3.0116 3.0116 3.1207 3.1207 3.3205 3.3205 4.1259 4.1259 5.9819 5.9819 7.4452 7.4452 7.8568 7.8568 7.8760 7.8760 8.0560 8.0560 k =-0.4793 0.3088 0.5685 ( 7680 PWs) bands (ev): -25.9040 -25.9040 -25.8262 -25.8262 -9.8661 -9.8661 -9.5288 -9.5288 -9.3342 -9.3342 -9.3155 -9.3155 -9.1857 -9.1857 -9.1021 -9.1021 -6.3684 -6.3684 -5.7573 -5.7573 -5.7532 -5.7532 -5.6266 -5.6266 -0.6614 -0.6614 0.0317 0.0317 1.6605 1.6605 2.0737 2.0737 2.2487 2.2487 2.7071 2.7071 2.7355 2.7355 2.8715 2.8715 2.9709 2.9709 3.0453 3.0453 3.3138 3.3138 4.1281 4.1281 5.9591 5.9591 7.4349 7.4349 7.8579 7.8579 7.8766 7.8766 8.0536 8.0536 k =-0.4896 0.2897 0.5685 ( 7676 PWs) bands (ev): -25.9042 -25.9042 -25.8259 -25.8259 -9.8680 -9.8680 -9.5289 -9.5289 -9.3340 -9.3340 -9.3159 -9.3159 -9.1853 -9.1853 -9.1000 -9.1000 -6.3702 -6.3702 -5.7584 -5.7584 -5.7543 -5.7543 -5.6211 -5.6211 -0.6716 -0.6716 0.0390 0.0390 1.6615 1.6615 2.0769 2.0769 2.2697 2.2697 2.7356 2.7356 2.7785 2.7785 2.8660 2.8660 2.9420 2.9420 2.9759 2.9759 3.3098 3.3098 4.1294 4.1294 5.9454 5.9454 7.4287 7.4287 7.8586 7.8586 7.8771 7.8771 8.0514 8.0514 k =-0.5000 0.2705 0.5685 ( 7668 PWs) bands (ev): -25.9043 -25.9043 -25.8258 -25.8258 -9.8687 -9.8687 -9.5289 -9.5289 -9.3340 -9.3340 -9.3161 -9.3161 -9.1852 -9.1852 -9.0993 -9.0993 -6.3708 -6.3708 -5.7588 -5.7588 -5.7547 -5.7547 -5.6192 -5.6192 -0.6750 -0.6750 0.0415 0.0415 1.6618 1.6618 2.0780 2.0780 2.2769 2.2769 2.7364 2.7364 2.8246 2.8246 2.8559 2.8559 2.9313 2.9313 2.9387 2.9387 3.3085 3.3085 4.1298 4.1298 5.9407 5.9407 7.4267 7.4267 7.8588 7.8588 7.8773 7.8773 8.0505 8.0505 k = 0.0000 0.0000 0.5685 ( 7736 PWs) bands (ev): -25.9044 -25.9044 -25.8259 -25.8259 -9.8649 -9.8649 -9.5228 -9.5228 -9.3355 -9.3355 -9.3067 -9.3067 -9.1871 -9.1871 -9.0984 -9.0984 -6.5735 -6.5735 -5.8312 -5.8312 -5.6704 -5.6704 -5.3798 -5.3798 -0.4116 -0.4116 -0.0536 -0.0536 1.2848 1.2848 1.5691 1.5691 2.0854 2.0854 2.3184 2.3184 2.6535 2.6535 2.8857 2.8857 2.9923 2.9923 3.4017 3.4017 3.7330 3.7330 4.2427 4.2427 6.9686 6.9686 7.1587 7.1587 7.5362 7.5362 8.2206 8.2206 8.6309 8.6309 k = 0.0104 0.0193 0.5685 ( 7728 PWs) bands (ev): -25.9043 -25.9043 -25.8260 -25.8260 -9.8643 -9.8643 -9.5228 -9.5228 -9.3355 -9.3355 -9.3066 -9.3066 -9.1873 -9.1873 -9.0991 -9.0991 -6.5727 -6.5727 -5.8307 -5.8307 -5.6716 -5.6716 -5.3803 -5.3803 -0.4129 -0.4129 -0.0502 -0.0502 1.2828 1.2828 1.5648 1.5648 2.0927 2.0927 2.3069 2.3069 2.6630 2.6630 2.8873 2.8873 2.9948 2.9948 3.4030 3.4030 3.7321 3.7321 4.2410 4.2410 6.9719 6.9719 7.1389 7.1389 7.5498 7.5498 8.2300 8.2300 8.6214 8.6214 k = 0.0208 0.0385 0.5685 ( 7742 PWs) bands (ev): -25.9041 -25.9041 -25.8262 -25.8262 -9.8623 -9.8623 -9.5227 -9.5227 -9.3358 -9.3358 -9.3062 -9.3062 -9.1876 -9.1876 -9.1013 -9.1013 -6.5704 -6.5704 -5.8293 -5.8293 -5.6753 -5.6753 -5.3818 -5.3818 -0.4168 -0.4168 -0.0404 -0.0404 1.2769 1.2769 1.5531 1.5531 2.1130 2.1130 2.2769 2.2769 2.6876 2.6876 2.8917 2.8917 3.0026 3.0026 3.4068 3.4068 3.7295 3.7295 4.2356 4.2356 6.9814 6.9814 7.0879 7.0879 7.5832 7.5832 8.2576 8.2576 8.5943 8.5943 k = 0.0312 0.0578 0.5685 ( 7724 PWs) bands (ev): -25.9037 -25.9037 -25.8267 -25.8267 -9.8591 -9.8591 -9.5225 -9.5225 -9.3362 -9.3362 -9.3056 -9.3056 -9.1883 -9.1883 -9.1048 -9.1048 -6.5665 -6.5665 -5.8269 -5.8269 -5.6815 -5.6815 -5.3842 -5.3842 -0.4223 -0.4223 -0.0250 -0.0250 1.2675 1.2675 1.5361 1.5361 2.1397 2.1397 2.2397 2.2397 2.7198 2.7198 2.8987 2.8987 3.0162 3.0162 3.4126 3.4126 3.7252 3.7252 4.2268 4.2268 6.9925 6.9925 7.0246 7.0246 7.6241 7.6241 8.3008 8.3008 8.5528 8.5528 k = 0.0417 0.0770 0.5685 ( 7722 PWs) bands (ev): -25.9031 -25.9031 -25.8272 -25.8272 -9.8546 -9.8546 -9.5223 -9.5223 -9.3367 -9.3367 -9.3047 -9.3047 -9.1892 -9.1892 -9.1097 -9.1097 -6.5611 -6.5611 -5.8236 -5.8236 -5.6900 -5.6900 -5.3876 -5.3876 -0.4288 -0.4288 -0.0056 -0.0056 1.2551 1.2551 1.5168 1.5168 2.1434 2.1434 2.2277 2.2277 2.7541 2.7541 2.9077 2.9077 3.0360 3.0360 3.4200 3.4200 3.7193 3.7193 4.2145 4.2145 6.9383 6.9383 7.0258 7.0258 7.6657 7.6657 8.3545 8.3545 8.5026 8.5026 k = 0.0521 0.0963 0.5685 ( 7724 PWs) bands (ev): -25.9024 -25.9024 -25.8280 -25.8280 -9.8489 -9.8489 -9.5220 -9.5220 -9.3373 -9.3373 -9.3036 -9.3036 -9.1903 -9.1903 -9.1160 -9.1160 -6.5541 -6.5541 -5.8194 -5.8194 -5.7008 -5.7008 -5.3919 -5.3919 -0.4352 -0.4352 0.0165 0.0165 1.2403 1.2403 1.4975 1.4975 2.1013 2.1013 2.2647 2.2647 2.7875 2.7875 2.9182 2.9182 3.0617 3.0617 3.4282 3.4282 3.7122 3.7122 4.1990 4.1990 6.8615 6.8615 7.0549 7.0549 7.7056 7.7056 8.3939 8.3939 8.4680 8.4680 k = 0.0625 0.1155 0.5685 ( 7708 PWs) bands (ev): -25.9015 -25.9015 -25.8289 -25.8289 -9.8419 -9.8419 -9.5217 -9.5217 -9.3381 -9.3381 -9.3023 -9.3023 -9.1917 -9.1917 -9.1235 -9.1235 -6.5457 -6.5457 -5.8143 -5.8143 -5.7139 -5.7139 -5.3972 -5.3972 -0.4409 -0.4409 0.0397 0.0397 1.2240 1.2240 1.4804 1.4804 2.0458 2.0458 2.3181 2.3181 2.8189 2.8189 2.9298 2.9298 3.0919 3.0919 3.4364 3.4364 3.7040 3.7040 4.1802 4.1802 6.7863 6.7863 7.0915 7.0915 7.7438 7.7438 8.3527 8.3527 8.5136 8.5136 k = 0.0729 0.1348 0.5685 ( 7712 PWs) bands (ev): -25.9004 -25.9004 -25.8300 -25.8300 -9.8338 -9.8338 -9.5214 -9.5214 -9.3390 -9.3390 -9.3007 -9.3007 -9.1933 -9.1933 -9.1322 -9.1322 -6.5357 -6.5357 -5.8083 -5.8083 -5.7291 -5.7291 -5.4034 -5.4034 -0.4451 -0.4451 0.0624 0.0624 1.2070 1.2070 1.4671 1.4671 1.9872 1.9872 2.3773 2.3773 2.8487 2.8487 2.9429 2.9429 3.1240 3.1240 3.4440 3.4440 3.6952 3.6952 4.1583 4.1583 6.7163 6.7163 7.1348 7.1348 7.7813 7.7813 8.2856 8.2856 8.5822 8.5822 k = 0.0833 0.1540 0.5685 ( 7700 PWs) bands (ev): -25.8992 -25.8992 -25.8312 -25.8312 -9.8245 -9.8245 -9.5212 -9.5212 -9.3400 -9.3400 -9.2989 -9.2989 -9.1952 -9.1952 -9.1420 -9.1420 -6.5243 -6.5243 -5.8015 -5.8015 -5.7462 -5.7462 -5.4105 -5.4105 -0.4476 -0.4476 0.0831 0.0831 1.1901 1.1901 1.4591 1.4591 1.9276 1.9276 2.4395 2.4395 2.8772 2.8772 2.9580 2.9580 3.1551 3.1551 3.4506 3.4506 3.6863 3.6863 4.1334 4.1334 6.6539 6.6539 7.1848 7.1848 7.8188 7.8188 8.2144 8.2144 8.6478 8.6478 k = 0.0938 0.1733 0.5685 ( 7716 PWs) bands (ev): -25.8979 -25.8979 -25.8326 -25.8326 -9.8142 -9.8142 -9.5211 -9.5211 -9.3410 -9.3410 -9.2969 -9.2969 -9.1973 -9.1973 -9.1529 -9.1529 -6.5114 -6.5114 -5.7938 -5.7938 -5.7653 -5.7653 -5.4184 -5.4184 -0.4479 -0.4479 0.1006 0.1006 1.1740 1.1740 1.4579 1.4579 1.8683 1.8683 2.5029 2.5029 2.9047 2.9047 2.9760 2.9760 3.1817 3.1817 3.4562 3.4562 3.6779 3.6779 4.1057 4.1057 6.6010 6.6010 7.2412 7.2412 7.8569 7.8569 8.1425 8.1425 8.6936 8.6936 k = 0.1042 0.1925 0.5685 ( 7716 PWs) bands (ev): -25.8964 -25.8964 -25.8341 -25.8341 -9.8028 -9.8028 -9.5211 -9.5211 -9.3421 -9.3421 -9.2947 -9.2947 -9.1996 -9.1996 -9.1647 -9.1647 -6.4971 -6.4971 -5.7861 -5.7861 -5.7854 -5.7854 -5.4271 -5.4271 -0.4459 -0.4459 0.1135 0.1135 1.1592 1.1592 1.4645 1.4645 1.8099 1.8099 2.5661 2.5661 2.9308 2.9308 2.9984 2.9984 3.2004 3.2004 3.4608 3.4608 3.6709 3.6709 4.0755 4.0755 6.5592 6.5592 7.3038 7.3038 7.8958 7.8958 8.0720 8.0720 8.6763 8.6763 k = 0.1146 0.2118 0.5685 ( 7724 PWs) bands (ev): -25.8948 -25.8948 -25.8357 -25.8357 -9.7905 -9.7905 -9.5213 -9.5213 -9.3432 -9.3432 -9.2923 -9.2923 -9.2021 -9.2021 -9.1773 -9.1773 -6.4814 -6.4814 -5.8085 -5.8085 -5.7761 -5.7761 -5.4366 -5.4366 -0.4414 -0.4414 0.1211 0.1211 1.1461 1.1461 1.4798 1.4798 1.7527 1.7527 2.6279 2.6279 2.9547 2.9547 3.0263 3.0263 3.2086 3.2086 3.4646 3.4646 3.6661 3.6661 4.0433 4.0433 6.5296 6.5296 7.3726 7.3726 7.9324 7.9324 8.0071 8.0071 8.5935 8.5935 k = 0.1250 0.2310 0.5685 ( 7740 PWs) bands (ev): -25.8931 -25.8931 -25.8375 -25.8375 -9.7772 -9.7772 -9.5217 -9.5217 -9.3443 -9.3443 -9.2897 -9.2897 -9.2047 -9.2047 -9.1905 -9.1905 -6.4644 -6.4644 -5.8323 -5.8323 -5.7662 -5.7662 -5.4468 -5.4468 -0.4344 -0.4344 0.1227 0.1227 1.1351 1.1351 1.5044 1.5044 1.6973 1.6973 2.6873 2.6873 2.9763 2.9763 3.0592 3.0592 3.2055 3.2055 3.4671 3.4671 3.6639 3.6639 4.0096 4.0096 6.5131 6.5131 7.4473 7.4473 7.9225 7.9225 7.9933 7.9933 8.4918 8.4918 k = 0.1354 0.2503 0.5685 ( 7728 PWs) bands (ev): -25.8912 -25.8912 -25.8394 -25.8394 -9.7631 -9.7631 -9.5226 -9.5226 -9.3453 -9.3453 -9.2870 -9.2870 -9.2076 -9.2076 -9.2043 -9.2043 -6.4460 -6.4460 -5.8574 -5.8574 -5.7556 -5.7556 -5.4577 -5.4577 -0.4248 -0.4248 0.1182 0.1182 1.1261 1.1261 1.5377 1.5377 1.6446 1.6446 2.7436 2.7436 2.9961 2.9961 3.0939 3.0939 3.1937 3.1937 3.4671 3.4671 3.6642 3.6642 3.9756 3.9756 6.5100 6.5100 7.5273 7.5273 7.8640 7.8640 8.0327 8.0327 8.3875 8.3875 k = 0.1458 0.2696 0.5685 ( 7732 PWs) bands (ev): -25.8893 -25.8893 -25.8414 -25.8414 -9.7484 -9.7484 -9.5239 -9.5239 -9.3463 -9.3463 -9.2841 -9.2841 -9.2183 -9.2183 -9.2106 -9.2106 -6.4264 -6.4264 -5.8837 -5.8837 -5.7443 -5.7443 -5.4693 -5.4693 -0.4126 -0.4126 0.1079 0.1079 1.1195 1.1195 1.5688 1.5688 1.6058 1.6058 2.7962 2.7962 3.0132 3.0132 3.1160 3.1160 3.1883 3.1883 3.4642 3.4642 3.6655 3.6655 3.9428 3.9428 6.5204 6.5204 7.6121 7.6121 7.8052 7.8052 8.0758 8.0758 8.2874 8.2874 k = 0.1562 0.2888 0.5685 ( 7728 PWs) bands (ev): -25.8872 -25.8872 -25.8435 -25.8435 -9.7330 -9.7330 -9.5257 -9.5257 -9.3470 -9.3470 -9.2813 -9.2813 -9.2323 -9.2323 -9.2138 -9.2138 -6.4055 -6.4055 -5.9109 -5.9109 -5.7324 -5.7324 -5.4814 -5.4814 -0.3979 -0.3979 0.0921 0.0921 1.1153 1.1153 1.5358 1.5358 1.6422 1.6422 2.8450 2.8450 3.0226 3.0226 3.1062 3.1062 3.2132 3.2132 3.4593 3.4593 3.6648 3.6648 3.9132 3.9132 6.5439 6.5439 7.6997 7.6997 7.7506 7.7506 8.1068 8.1068 8.2061 8.2061 k = 0.1667 0.3081 0.5685 ( 7732 PWs) bands (ev): -25.8850 -25.8850 -25.8457 -25.8457 -9.7171 -9.7171 -9.5283 -9.5283 -9.3476 -9.3476 -9.2785 -9.2785 -9.2460 -9.2460 -9.2171 -9.2171 -6.3835 -6.3835 -5.9388 -5.9388 -5.7200 -5.7200 -5.4941 -5.4941 -0.3807 -0.3807 0.0718 0.0718 1.1138 1.1138 1.4897 1.4897 1.7024 1.7024 2.8902 2.8902 3.0063 3.0063 3.0979 3.0979 3.2509 3.2509 3.4546 3.4546 3.6594 3.6594 3.8889 3.8889 6.5799 6.5799 7.7003 7.7003 7.7855 7.7855 8.0729 8.0729 8.1744 8.1744 k = 0.1771 0.3273 0.5685 ( 7724 PWs) bands (ev): -25.8828 -25.8828 -25.8480 -25.8480 -9.7008 -9.7008 -9.5318 -9.5318 -9.3479 -9.3479 -9.2766 -9.2766 -9.2583 -9.2583 -9.2206 -9.2206 -6.3604 -6.3604 -5.9675 -5.9675 -5.7071 -5.7071 -5.5072 -5.5072 -0.3612 -0.3612 0.0475 0.0475 1.1149 1.1149 1.4450 1.4450 1.7710 1.7710 2.9300 2.9300 2.9607 2.9607 3.1096 3.1096 3.2844 3.2844 3.4543 3.4543 3.6481 3.6481 3.8706 3.8706 6.6276 6.6276 7.6563 7.6563 7.8447 7.8447 8.0188 8.0188 8.0822 8.0822 k = 0.1875 0.3466 0.5685 ( 7728 PWs) bands (ev): -25.8804 -25.8804 -25.8504 -25.8504 -9.6843 -9.6843 -9.5363 -9.5363 -9.3477 -9.3477 -9.2795 -9.2795 -9.2652 -9.2652 -9.2242 -9.2242 -6.3362 -6.3362 -5.9966 -5.9966 -5.6938 -5.6938 -5.5208 -5.5208 -0.3394 -0.3394 0.0202 0.0202 1.1189 1.1189 1.4026 1.4026 1.8462 1.8462 2.8915 2.8915 2.9743 2.9743 3.1296 3.1296 3.3047 3.3047 3.4618 3.4618 3.6336 3.6336 3.8574 3.8574 6.6860 6.6860 7.6185 7.6185 7.8270 7.8270 7.9348 7.9348 8.0884 8.0884 k = 0.1979 0.3658 0.5685 ( 7736 PWs) bands (ev): -25.8780 -25.8780 -25.8528 -25.8528 -9.6678 -9.6678 -9.5420 -9.5420 -9.3471 -9.3471 -9.2891 -9.2891 -9.2644 -9.2644 -9.2278 -9.2278 -6.3111 -6.3111 -6.0261 -6.0261 -5.6800 -5.6800 -5.5347 -5.5347 -0.3156 -0.3156 -0.0095 -0.0095 1.1258 1.1258 1.3627 1.3627 1.9269 1.9269 2.8180 2.8180 3.0108 3.0108 3.1518 3.1518 3.3102 3.3102 3.4720 3.4720 3.6242 3.6242 3.8466 3.8466 6.7542 6.7542 7.5869 7.5869 7.7568 7.7568 7.8320 7.8320 8.1793 8.1793 k = 0.2083 0.3851 0.5685 ( 7740 PWs) bands (ev): -25.8756 -25.8756 -25.8553 -25.8553 -9.6514 -9.6514 -9.5490 -9.5490 -9.3459 -9.3459 -9.2999 -9.2999 -9.2615 -9.2615 -9.2315 -9.2315 -6.2851 -6.2851 -6.0558 -6.0558 -5.6660 -5.6660 -5.5489 -5.5489 -0.2897 -0.2897 -0.0408 -0.0408 1.1357 1.1357 1.3256 1.3256 2.0120 2.0120 2.7374 2.7374 3.0456 3.0456 3.1730 3.1730 3.3073 3.3073 3.4708 3.4708 3.6307 3.6307 3.8351 3.8351 6.8311 6.8311 7.5595 7.5595 7.6643 7.6643 7.7506 7.7506 8.2903 8.2903 k = 0.2188 0.4043 0.5685 ( 7740 PWs) bands (ev): -25.8731 -25.8731 -25.8578 -25.8578 -9.6353 -9.6353 -9.5574 -9.5574 -9.3440 -9.3440 -9.3099 -9.3099 -9.2581 -9.2581 -9.2353 -9.2353 -6.2583 -6.2583 -6.0855 -6.0855 -5.6516 -5.6516 -5.5634 -5.5634 -0.2621 -0.2621 -0.0730 -0.0730 1.1487 1.1487 1.2913 1.2913 2.1006 2.1006 2.6518 2.6518 3.0784 3.0784 3.1883 3.1883 3.3054 3.3054 3.4528 3.4528 3.6546 3.6546 3.8210 3.8210 6.9158 6.9158 7.5147 7.5147 7.5852 7.5852 7.6896 7.6896 8.4098 8.4098 k = 0.2292 0.4236 0.5685 ( 7724 PWs) bands (ev): -25.8706 -25.8706 -25.8603 -25.8603 -9.6198 -9.6198 -9.5673 -9.5673 -9.3412 -9.3412 -9.3187 -9.3187 -9.2544 -9.2544 -9.2391 -9.2391 -6.2307 -6.2307 -6.1152 -6.1152 -5.6371 -5.6371 -5.5780 -5.5780 -0.2329 -0.2329 -0.1058 -0.1058 1.1647 1.1647 1.2599 1.2599 2.1918 2.1918 2.5625 2.5625 3.1089 3.1089 3.1914 3.1914 3.3134 3.3134 3.4249 3.4249 3.6870 3.6870 3.8028 3.8028 7.0072 7.0072 7.4196 7.4196 7.5637 7.5637 7.6418 7.6418 8.5326 8.5326 k = 0.2396 0.4428 0.5685 ( 7734 PWs) bands (ev): -25.8680 -25.8680 -25.8629 -25.8629 -9.6050 -9.6050 -9.5786 -9.5786 -9.3374 -9.3374 -9.3262 -9.3262 -9.2506 -9.2506 -9.2430 -9.2430 -6.2025 -6.2025 -6.1446 -6.1446 -5.6224 -5.6224 -5.5928 -5.5928 -0.2024 -0.2024 -0.1385 -0.1385 1.1839 1.1839 1.2315 1.2315 2.2845 2.2845 2.4708 2.4708 3.1369 3.1369 3.1810 3.1810 3.3336 3.3336 3.3932 3.3932 3.7208 3.7208 3.7799 3.7799 7.1045 7.1045 7.3127 7.3127 7.5656 7.5656 7.6054 7.6054 8.6248 8.6248 k = 0.2500 0.4621 0.5685 ( 7740 PWs) bands (ev): -25.8654 -25.8654 -25.8654 -25.8654 -9.5912 -9.5912 -9.5912 -9.5912 -9.3324 -9.3324 -9.3324 -9.3324 -9.2468 -9.2468 -9.2468 -9.2468 -6.1738 -6.1738 -6.1737 -6.1737 -5.6076 -5.6076 -5.6076 -5.6076 -0.1709 -0.1709 -0.1708 -0.1708 1.2061 1.2061 1.2062 1.2062 2.3778 2.3778 2.3778 2.3778 3.1615 3.1615 3.1616 3.1616 3.3617 3.3617 3.3617 3.3617 3.7523 3.7523 3.7524 3.7524 7.2067 7.2067 7.2068 7.2068 7.5800 7.5800 7.5800 7.5800 8.6893 8.6894 Writing output data file KAlTe2.save init_run : 0.93s CPU 1.20s WALL ( 1 calls) electrons : 311.98s CPU 315.09s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.16s WALL ( 1 calls) Called by electrons: c_bands : 311.97s CPU 315.08s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.19s CPU 0.28s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.14s WALL ( 239 calls) cegterg : 287.35s CPU 289.92s WALL ( 566 calls) Called by sum_band: Called by *egterg: h_psi : 180.91s CPU 182.37s WALL ( 9922 calls) s_psi : 16.92s CPU 16.80s WALL ( 9922 calls) g_psi : 0.41s CPU 0.45s WALL ( 9117 calls) cdiaghg : 73.48s CPU 74.33s WALL ( 9356 calls) cegterg:over : 11.52s CPU 11.73s WALL ( 9117 calls) cegterg:upda : 12.38s CPU 12.69s WALL ( 9117 calls) cegterg:last : 5.71s CPU 5.78s WALL ( 1278 calls) cdiaghg:chol : 4.36s CPU 4.36s WALL ( 9356 calls) cdiaghg:inve : 2.82s CPU 2.88s WALL ( 9356 calls) cdiaghg:para : 4.64s CPU 4.71s WALL ( 18712 calls) Called by h_psi: h_psi:vloc : 148.72s CPU 150.14s WALL ( 9922 calls) h_psi:vnl : 31.62s CPU 31.70s WALL ( 9922 calls) add_vuspsi : 17.16s CPU 17.25s WALL ( 9922 calls) General routines calbec : 14.42s CPU 14.42s WALL ( 9922 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 139.38s CPU 140.75s WALL ( 845388 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.21s CPU 0.28s WALL ( 478 calls) Parallel routines fft_scatter : 44.10s CPU 43.97s WALL ( 845411 calls) PWSCF : 5m32.24s CPU 5m53.74s WALL This run was terminated on: 19:23:27 27Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=