Program PWSCF v.5.1.1 starts on 14Jun2016 at 20:20:47 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CdGeP2.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 165 39 11 6799 775 120 Max 166 40 12 6802 800 122 Sum 7933 1877 545 326389 37811 5809 bravais-lattice index = 14 lattice parameter (alat) = 12.7376 a.u. unit-cell volume = 1195.9186 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 38.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.737598 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.637662 celldm(5)= -0.637662 celldm(6)= 0.275324 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.275324 0.961351 0.000000 ) a(3) = ( -0.637662 -0.480676 0.601945 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.286393 0.830641 ) b(2) = ( 0.000000 1.040202 0.830641 ) b(3) = ( 0.000000 0.000000 1.661281 ) PseudoPot. # 1 for Ge read from file: /home/autes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cd read from file: /home/autes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 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 P read from file: /home/autes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 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 Ge 4.00 72.64000 Ge( 1.00) Cd 12.00 112.41100 Cd( 1.00) P 5.00 30.97380 P( 1.00) 2 Sym. Ops. (no inversion) found ( 1 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 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) f =( 0.2500000 ) ( 0 1 0 ) ( -0.2500000 ) ( -1 -1 -1 ) ( -0.5000000 ) cart. s( 2) = ( 1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.3009725 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 s 2 -E -1 -s -2 Cartesian axes number of k points= 274 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 2) = ( 0.0000000 0.0000000 0.0212985), wk = 0.0036496 k( 3) = ( 0.0000000 0.0000000 0.0425970), wk = 0.0036496 k( 4) = ( 0.0000000 0.0000000 0.0638954), wk = 0.0036496 k( 5) = ( 0.0000000 0.0000000 0.0851939), wk = 0.0036496 k( 6) = ( 0.0000000 0.0000000 0.1064924), wk = 0.0036496 k( 7) = ( 0.0000000 0.0000000 0.1277909), wk = 0.0036496 k( 8) = ( 0.0000000 0.0000000 0.1490893), wk = 0.0036496 k( 9) = ( 0.0000000 0.0000000 0.1703878), wk = 0.0036496 k( 10) = ( 0.0000000 0.0000000 0.1916863), wk = 0.0036496 k( 11) = ( 0.0000000 0.0000000 0.2129848), wk = 0.0036496 k( 12) = ( 0.0000000 0.0000000 0.2342833), wk = 0.0036496 k( 13) = ( 0.0000000 0.0000000 0.2555817), wk = 0.0036496 k( 14) = ( 0.0000000 0.0000000 0.2768802), wk = 0.0036496 k( 15) = ( 0.0000000 0.0000000 0.2981787), wk = 0.0036496 k( 16) = ( 0.0000000 0.0000000 0.3194772), wk = 0.0036496 k( 17) = ( 0.0000000 0.0000000 0.3407756), wk = 0.0036496 k( 18) = ( 0.0000000 0.0000000 0.3620741), wk = 0.0036496 k( 19) = ( 0.0000000 0.0000000 0.3833726), wk = 0.0036496 k( 20) = ( 0.0000000 0.0000000 0.4046711), wk = 0.0036496 k( 21) = ( 0.0000000 0.0000000 0.4259696), wk = 0.0036496 k( 22) = ( 0.0000000 0.0000000 0.4472680), wk = 0.0036496 k( 23) = ( 0.0000000 0.0000000 0.4685665), wk = 0.0036496 k( 24) = ( 0.0000000 0.0000000 0.4898650), wk = 0.0036496 k( 25) = ( 0.0000000 0.0000000 0.5111635), wk = 0.0036496 k( 26) = ( 0.0000000 0.0000000 0.5324619), wk = 0.0036496 k( 27) = ( 0.0000000 0.0000000 0.5537604), wk = 0.0036496 k( 28) = ( 0.0000000 0.0000000 0.5750589), wk = 0.0036496 k( 29) = ( 0.0000000 0.0000000 0.5963574), wk = 0.0036496 k( 30) = ( 0.0000000 0.0000000 0.6176558), wk = 0.0036496 k( 31) = ( 0.0000000 0.0000000 0.6389543), wk = 0.0036496 k( 32) = ( 0.0000000 0.0000000 0.6602528), wk = 0.0036496 k( 33) = ( 0.0000000 0.0000000 0.6815513), wk = 0.0036496 k( 34) = ( 0.0000000 0.0000000 0.7028498), wk = 0.0036496 k( 35) = ( 0.0000000 0.0000000 0.7241482), wk = 0.0036496 k( 36) = ( 0.0000000 0.0000000 0.7454467), wk = 0.0036496 k( 37) = ( 0.0000000 0.0000000 0.7667452), wk = 0.0036496 k( 38) = ( 0.0000000 0.0000000 0.7880437), wk = 0.0036496 k( 39) = ( 0.0000000 0.0000000 0.8093422), wk = 0.0036496 k( 40) = ( 0.0000000 0.0000000 0.8306406), wk = 0.0036496 k( 41) = ( 0.0000000 0.0000000 0.8306406), wk = 0.0036496 k( 42) = ( -0.0129143 0.0171320 0.8306406), wk = 0.0036496 k( 43) = ( -0.0258286 0.0342641 0.8306406), wk = 0.0036496 k( 44) = ( -0.0387429 0.0513961 0.8306406), wk = 0.0036496 k( 45) = ( -0.0516571 0.0685281 0.8306406), wk = 0.0036496 k( 46) = ( -0.0645714 0.0856601 0.8306406), wk = 0.0036496 k( 47) = ( -0.0774857 0.1027922 0.8306406), wk = 0.0036496 k( 48) = ( -0.0904000 0.1199242 0.8306406), wk = 0.0036496 k( 49) = ( -0.1033143 0.1370562 0.8306406), wk = 0.0036496 k( 50) = ( -0.1162286 0.1541883 0.8306406), wk = 0.0036496 k( 51) = ( -0.1291428 0.1713203 0.8306406), wk = 0.0036496 k( 52) = ( -0.1420571 0.1884523 0.8306406), wk = 0.0036496 k( 53) = ( -0.1420571 0.1884523 0.8306406), wk = 0.0036496 k( 54) = ( -0.1510057 0.2003235 0.8157745), wk = 0.0036496 k( 55) = ( -0.1599543 0.2121946 0.8009084), wk = 0.0036496 k( 56) = ( -0.1689028 0.2240657 0.7860423), wk = 0.0036496 k( 57) = ( -0.1778514 0.2359369 0.7711762), wk = 0.0036496 k( 58) = ( -0.1868000 0.2478080 0.7563102), wk = 0.0036496 k( 59) = ( -0.1957486 0.2596791 0.7414441), wk = 0.0036496 k( 60) = ( -0.2046971 0.2715503 0.7265780), wk = 0.0036496 k( 61) = ( -0.2136457 0.2834214 0.7117119), wk = 0.0036496 k( 62) = ( -0.2225943 0.2952925 0.6968458), wk = 0.0036496 k( 63) = ( -0.2315428 0.3071637 0.6819797), wk = 0.0036496 k( 64) = ( -0.2404914 0.3190348 0.6671136), wk = 0.0036496 k( 65) = ( -0.2494400 0.3309059 0.6522475), wk = 0.0036496 k( 66) = ( -0.2583886 0.3427771 0.6373814), wk = 0.0036496 k( 67) = ( -0.2673371 0.3546482 0.6225153), wk = 0.0036496 k( 68) = ( -0.2762857 0.3665193 0.6076492), wk = 0.0036496 k( 69) = ( -0.2852343 0.3783905 0.5927831), wk = 0.0036496 k( 70) = ( -0.2941828 0.3902616 0.5779170), wk = 0.0036496 k( 71) = ( -0.3031314 0.4021328 0.5630509), wk = 0.0036496 k( 72) = ( -0.3120800 0.4140039 0.5481848), wk = 0.0036496 k( 73) = ( -0.3210286 0.4258750 0.5333187), wk = 0.0036496 k( 74) = ( -0.3210286 0.4258750 0.5333187), wk = 0.0036496 k( 75) = ( -0.3121111 0.4140452 0.5185043), wk = 0.0036496 k( 76) = ( -0.3031936 0.4022153 0.5036899), wk = 0.0036496 k( 77) = ( -0.2942762 0.3903854 0.4888755), wk = 0.0036496 k( 78) = ( -0.2853587 0.3785556 0.4740611), wk = 0.0036496 k( 79) = ( -0.2764413 0.3667257 0.4592467), wk = 0.0036496 k( 80) = ( -0.2675238 0.3548958 0.4444323), wk = 0.0036496 k( 81) = ( -0.2586063 0.3430660 0.4296179), wk = 0.0036496 k( 82) = ( -0.2496889 0.3312361 0.4148035), wk = 0.0036496 k( 83) = ( -0.2407714 0.3194063 0.3999890), wk = 0.0036496 k( 84) = ( -0.2318540 0.3075764 0.3851746), wk = 0.0036496 k( 85) = ( -0.2229365 0.2957465 0.3703602), wk = 0.0036496 k( 86) = ( -0.2140190 0.2839167 0.3555458), wk = 0.0036496 k( 87) = ( -0.2051016 0.2720868 0.3407314), wk = 0.0036496 k( 88) = ( -0.1961841 0.2602570 0.3259170), wk = 0.0036496 k( 89) = ( -0.1872667 0.2484271 0.3111026), wk = 0.0036496 k( 90) = ( -0.1783492 0.2365972 0.2962882), wk = 0.0036496 k( 91) = ( -0.1694317 0.2247674 0.2814738), wk = 0.0036496 k( 92) = ( -0.1605143 0.2129375 0.2666594), wk = 0.0036496 k( 93) = ( -0.1515968 0.2011076 0.2518450), wk = 0.0036496 k( 94) = ( -0.1426794 0.1892778 0.2370305), wk = 0.0036496 k( 95) = ( -0.1337619 0.1774479 0.2222161), wk = 0.0036496 k( 96) = ( -0.1248444 0.1656181 0.2074017), wk = 0.0036496 k( 97) = ( -0.1159270 0.1537882 0.1925873), wk = 0.0036496 k( 98) = ( -0.1070095 0.1419583 0.1777729), wk = 0.0036496 k( 99) = ( -0.0980921 0.1301285 0.1629585), wk = 0.0036496 k( 100) = ( -0.0891746 0.1182986 0.1481441), wk = 0.0036496 k( 101) = ( -0.0802571 0.1064688 0.1333297), wk = 0.0036496 k( 102) = ( -0.0713397 0.0946389 0.1185153), wk = 0.0036496 k( 103) = ( -0.0624222 0.0828090 0.1037009), wk = 0.0036496 k( 104) = ( -0.0535048 0.0709792 0.0888865), wk = 0.0036496 k( 105) = ( -0.0445873 0.0591493 0.0740720), wk = 0.0036496 k( 106) = ( -0.0356698 0.0473194 0.0592576), wk = 0.0036496 k( 107) = ( -0.0267524 0.0354896 0.0444432), wk = 0.0036496 k( 108) = ( -0.0178349 0.0236597 0.0296288), wk = 0.0036496 k( 109) = ( -0.0089175 0.0118299 0.0148144), wk = 0.0036496 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 112) = ( 0.0166667 0.0125635 0.0000000), wk = 0.0036496 k( 113) = ( 0.0333333 0.0251270 0.0000000), wk = 0.0036496 k( 114) = ( 0.0500000 0.0376905 0.0000000), wk = 0.0036496 k( 115) = ( 0.0666667 0.0502540 0.0000000), wk = 0.0036496 k( 116) = ( 0.0833333 0.0628174 0.0000000), wk = 0.0036496 k( 117) = ( 0.1000000 0.0753809 0.0000000), wk = 0.0036496 k( 118) = ( 0.1166667 0.0879444 0.0000000), wk = 0.0036496 k( 119) = ( 0.1333333 0.1005079 0.0000000), wk = 0.0036496 k( 120) = ( 0.1500000 0.1130714 0.0000000), wk = 0.0036496 k( 121) = ( 0.1666667 0.1256349 0.0000000), wk = 0.0036496 k( 122) = ( 0.1833333 0.1381984 0.0000000), wk = 0.0036496 k( 123) = ( 0.2000000 0.1507619 0.0000000), wk = 0.0036496 k( 124) = ( 0.2166667 0.1633254 0.0000000), wk = 0.0036496 k( 125) = ( 0.2333333 0.1758888 0.0000000), wk = 0.0036496 k( 126) = ( 0.2500000 0.1884523 0.0000000), wk = 0.0036496 k( 127) = ( 0.2666667 0.2010158 0.0000000), wk = 0.0036496 k( 128) = ( 0.2833333 0.2135793 0.0000000), wk = 0.0036496 k( 129) = ( 0.3000000 0.2261428 0.0000000), wk = 0.0036496 k( 130) = ( 0.3166667 0.2387063 0.0000000), wk = 0.0036496 k( 131) = ( 0.3333333 0.2512698 0.0000000), wk = 0.0036496 k( 132) = ( 0.3500000 0.2638333 0.0000000), wk = 0.0036496 k( 133) = ( 0.3666667 0.2763968 0.0000000), wk = 0.0036496 k( 134) = ( 0.3833333 0.2889602 0.0000000), wk = 0.0036496 k( 135) = ( 0.4000000 0.3015237 0.0000000), wk = 0.0036496 k( 136) = ( 0.4166667 0.3140872 0.0000000), wk = 0.0036496 k( 137) = ( 0.4333333 0.3266507 0.0000000), wk = 0.0036496 k( 138) = ( 0.4500000 0.3392142 0.0000000), wk = 0.0036496 k( 139) = ( 0.4666667 0.3517777 0.0000000), wk = 0.0036496 k( 140) = ( 0.4833333 0.3643412 0.0000000), wk = 0.0036496 k( 141) = ( 0.5000000 0.3769047 0.0000000), wk = 0.0036496 k( 142) = ( 0.5000000 0.3769047 0.0000000), wk = 0.0036496 k( 143) = ( 0.4910514 0.3887758 0.0148661), wk = 0.0036496 k( 144) = ( 0.4821029 0.4006469 0.0297322), wk = 0.0036496 k( 145) = ( 0.4731543 0.4125181 0.0445983), wk = 0.0036496 k( 146) = ( 0.4642057 0.4243892 0.0594644), wk = 0.0036496 k( 147) = ( 0.4552571 0.4362603 0.0743305), wk = 0.0036496 k( 148) = ( 0.4463086 0.4481315 0.0891966), wk = 0.0036496 k( 149) = ( 0.4373600 0.4600026 0.1040627), wk = 0.0036496 k( 150) = ( 0.4284114 0.4718737 0.1189287), wk = 0.0036496 k( 151) = ( 0.4194628 0.4837449 0.1337949), wk = 0.0036496 k( 152) = ( 0.4105143 0.4956160 0.1486609), wk = 0.0036496 k( 153) = ( 0.4015657 0.5074871 0.1635270), wk = 0.0036496 k( 154) = ( 0.3926171 0.5193583 0.1783931), wk = 0.0036496 k( 155) = ( 0.3836686 0.5312294 0.1932592), wk = 0.0036496 k( 156) = ( 0.3747200 0.5431006 0.2081253), wk = 0.0036496 k( 157) = ( 0.3657714 0.5549717 0.2229914), wk = 0.0036496 k( 158) = ( 0.3568229 0.5668428 0.2378575), wk = 0.0036496 k( 159) = ( 0.3478743 0.5787139 0.2527236), wk = 0.0036496 k( 160) = ( 0.3389257 0.5905851 0.2675897), wk = 0.0036496 k( 161) = ( 0.3299771 0.6024562 0.2824558), wk = 0.0036496 k( 162) = ( 0.3210286 0.6143274 0.2973219), wk = 0.0036496 k( 163) = ( 0.3210286 0.6143274 0.2973219), wk = 0.0036496 k( 164) = ( 0.3021445 0.6087846 0.3042630), wk = 0.0036496 k( 165) = ( 0.2832605 0.6032419 0.3112041), wk = 0.0036496 k( 166) = ( 0.2643765 0.5976992 0.3181451), wk = 0.0036496 k( 167) = ( 0.2454924 0.5921565 0.3250862), wk = 0.0036496 k( 168) = ( 0.2266084 0.5866138 0.3320273), wk = 0.0036496 k( 169) = ( 0.2077244 0.5810711 0.3389684), wk = 0.0036496 k( 170) = ( 0.1888403 0.5755283 0.3459095), wk = 0.0036496 k( 171) = ( 0.1699563 0.5699856 0.3528506), wk = 0.0036496 k( 172) = ( 0.1510723 0.5644429 0.3597916), wk = 0.0036496 k( 173) = ( 0.1321882 0.5589002 0.3667327), wk = 0.0036496 k( 174) = ( 0.1133042 0.5533575 0.3736738), wk = 0.0036496 k( 175) = ( 0.0944202 0.5478148 0.3806149), wk = 0.0036496 k( 176) = ( 0.0755361 0.5422721 0.3875560), wk = 0.0036496 k( 177) = ( 0.0566521 0.5367293 0.3944971), wk = 0.0036496 k( 178) = ( 0.0377681 0.5311866 0.4014381), wk = 0.0036496 k( 179) = ( 0.0188840 0.5256439 0.4083792), wk = 0.0036496 k( 180) = ( 0.0000000 0.5201012 0.4153203), wk = 0.0036496 k( 181) = ( 0.0000000 0.5201012 0.4153203), wk = 0.0036496 k( 182) = ( 0.0089286 0.5082566 0.4301532), wk = 0.0036496 k( 183) = ( 0.0178571 0.4964120 0.4449860), wk = 0.0036496 k( 184) = ( 0.0267857 0.4845674 0.4598189), wk = 0.0036496 k( 185) = ( 0.0357143 0.4727228 0.4746518), wk = 0.0036496 k( 186) = ( 0.0446429 0.4608782 0.4894847), wk = 0.0036496 k( 187) = ( 0.0535714 0.4490336 0.5043175), wk = 0.0036496 k( 188) = ( 0.0625000 0.4371890 0.5191504), wk = 0.0036496 k( 189) = ( 0.0714286 0.4253444 0.5339833), wk = 0.0036496 k( 190) = ( 0.0803571 0.4134998 0.5488161), wk = 0.0036496 k( 191) = ( 0.0892857 0.4016552 0.5636490), wk = 0.0036496 k( 192) = ( 0.0982143 0.3898106 0.5784819), wk = 0.0036496 k( 193) = ( 0.1071429 0.3779660 0.5933147), wk = 0.0036496 k( 194) = ( 0.1160714 0.3661214 0.6081476), wk = 0.0036496 k( 195) = ( 0.1250000 0.3542768 0.6229805), wk = 0.0036496 k( 196) = ( 0.1339286 0.3424322 0.6378133), wk = 0.0036496 k( 197) = ( 0.1428571 0.3305876 0.6526462), wk = 0.0036496 k( 198) = ( 0.1517857 0.3187430 0.6674791), wk = 0.0036496 k( 199) = ( 0.1607143 0.3068983 0.6823119), wk = 0.0036496 k( 200) = ( 0.1696429 0.2950537 0.6971448), wk = 0.0036496 k( 201) = ( 0.1785714 0.2832091 0.7119777), wk = 0.0036496 k( 202) = ( 0.1875000 0.2713645 0.7268105), wk = 0.0036496 k( 203) = ( 0.1964286 0.2595199 0.7416434), wk = 0.0036496 k( 204) = ( 0.2053571 0.2476753 0.7564763), wk = 0.0036496 k( 205) = ( 0.2142857 0.2358307 0.7713091), wk = 0.0036496 k( 206) = ( 0.2232143 0.2239861 0.7861420), wk = 0.0036496 k( 207) = ( 0.2321429 0.2121415 0.8009749), wk = 0.0036496 k( 208) = ( 0.2410714 0.2002969 0.8158078), wk = 0.0036496 k( 209) = ( 0.2500000 0.1884523 0.8306406), wk = 0.0036496 k( 210) = ( 0.2500000 0.1884523 0.8306406), wk = 0.0036496 k( 211) = ( 0.2631579 0.1983709 0.8182197), wk = 0.0036496 k( 212) = ( 0.2763158 0.2082894 0.8057989), wk = 0.0036496 k( 213) = ( 0.2894737 0.2182080 0.7933780), wk = 0.0036496 k( 214) = ( 0.3026316 0.2281265 0.7809571), wk = 0.0036496 k( 215) = ( 0.3157895 0.2380450 0.7685362), wk = 0.0036496 k( 216) = ( 0.3289474 0.2479636 0.7561153), wk = 0.0036496 k( 217) = ( 0.3421053 0.2578821 0.7436944), wk = 0.0036496 k( 218) = ( 0.3552632 0.2678007 0.7312735), wk = 0.0036496 k( 219) = ( 0.3684211 0.2777192 0.7188526), wk = 0.0036496 k( 220) = ( 0.3815789 0.2876378 0.7064318), wk = 0.0036496 k( 221) = ( 0.3947368 0.2975563 0.6940109), wk = 0.0036496 k( 222) = ( 0.4078947 0.3074749 0.6815900), wk = 0.0036496 k( 223) = ( 0.4210526 0.3173934 0.6691691), wk = 0.0036496 k( 224) = ( 0.4342105 0.3273119 0.6567482), wk = 0.0036496 k( 225) = ( 0.4473684 0.3372305 0.6443273), wk = 0.0036496 k( 226) = ( 0.4605263 0.3471490 0.6319065), wk = 0.0036496 k( 227) = ( 0.4736842 0.3570676 0.6194856), wk = 0.0036496 k( 228) = ( 0.4868421 0.3669861 0.6070647), wk = 0.0036496 k( 229) = ( 0.5000000 0.3769047 0.5946438), wk = 0.0036496 k( 230) = ( 0.5000000 0.3769047 0.5946438), wk = 0.0036496 k( 231) = ( 0.5000000 0.3769047 0.5734065), wk = 0.0036496 k( 232) = ( 0.5000000 0.3769047 0.5521692), wk = 0.0036496 k( 233) = ( 0.5000000 0.3769047 0.5309319), wk = 0.0036496 k( 234) = ( 0.5000000 0.3769047 0.5096947), wk = 0.0036496 k( 235) = ( 0.5000000 0.3769047 0.4884574), wk = 0.0036496 k( 236) = ( 0.5000000 0.3769047 0.4672201), wk = 0.0036496 k( 237) = ( 0.5000000 0.3769047 0.4459828), wk = 0.0036496 k( 238) = ( 0.5000000 0.3769047 0.4247456), wk = 0.0036496 k( 239) = ( 0.5000000 0.3769047 0.4035083), wk = 0.0036496 k( 240) = ( 0.5000000 0.3769047 0.3822710), wk = 0.0036496 k( 241) = ( 0.5000000 0.3769047 0.3610337), wk = 0.0036496 k( 242) = ( 0.5000000 0.3769047 0.3397965), wk = 0.0036496 k( 243) = ( 0.5000000 0.3769047 0.3185592), wk = 0.0036496 k( 244) = ( 0.5000000 0.3769047 0.2973219), wk = 0.0036496 k( 245) = ( 0.5000000 0.3769047 0.2760846), wk = 0.0036496 k( 246) = ( 0.5000000 0.3769047 0.2548473), wk = 0.0036496 k( 247) = ( 0.5000000 0.3769047 0.2336101), wk = 0.0036496 k( 248) = ( 0.5000000 0.3769047 0.2123728), wk = 0.0036496 k( 249) = ( 0.5000000 0.3769047 0.1911355), wk = 0.0036496 k( 250) = ( 0.5000000 0.3769047 0.1698982), wk = 0.0036496 k( 251) = ( 0.5000000 0.3769047 0.1486609), wk = 0.0036496 k( 252) = ( 0.5000000 0.3769047 0.1274237), wk = 0.0036496 k( 253) = ( 0.5000000 0.3769047 0.1061864), wk = 0.0036496 k( 254) = ( 0.5000000 0.3769047 0.0849491), wk = 0.0036496 k( 255) = ( 0.5000000 0.3769047 0.0637118), wk = 0.0036496 k( 256) = ( 0.5000000 0.3769047 0.0424746), wk = 0.0036496 k( 257) = ( 0.5000000 0.3769047 0.0212373), wk = 0.0036496 k( 258) = ( 0.5000000 0.3769047 0.0000000), wk = 0.0036496 k( 259) = ( 0.0000000 0.0000000 0.8306406), wk = 0.0036496 k( 260) = ( 0.0166667 0.0125635 0.8306406), wk = 0.0036496 k( 261) = ( 0.0333333 0.0251270 0.8306406), wk = 0.0036496 k( 262) = ( 0.0500000 0.0376905 0.8306406), wk = 0.0036496 k( 263) = ( 0.0666667 0.0502540 0.8306406), wk = 0.0036496 k( 264) = ( 0.0833333 0.0628174 0.8306406), wk = 0.0036496 k( 265) = ( 0.1000000 0.0753809 0.8306406), wk = 0.0036496 k( 266) = ( 0.1166667 0.0879444 0.8306406), wk = 0.0036496 k( 267) = ( 0.1333333 0.1005079 0.8306406), wk = 0.0036496 k( 268) = ( 0.1500000 0.1130714 0.8306406), wk = 0.0036496 k( 269) = ( 0.1666667 0.1256349 0.8306406), wk = 0.0036496 k( 270) = ( 0.1833333 0.1381984 0.8306406), wk = 0.0036496 k( 271) = ( 0.2000000 0.1507619 0.8306406), wk = 0.0036496 k( 272) = ( 0.2166667 0.1633254 0.8306406), wk = 0.0036496 k( 273) = ( 0.2333333 0.1758888 0.8306406), wk = 0.0036496 k( 274) = ( 0.2500000 0.1884523 0.8306406), wk = 0.0036496 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 2) = ( 0.0000000 0.0000000 0.0128205), wk = 0.0036496 k( 3) = ( 0.0000000 0.0000000 0.0256410), wk = 0.0036496 k( 4) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0036496 k( 5) = ( 0.0000000 0.0000000 0.0512820), wk = 0.0036496 k( 6) = ( 0.0000000 0.0000000 0.0641026), wk = 0.0036496 k( 7) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0036496 k( 8) = ( 0.0000000 0.0000000 0.0897436), wk = 0.0036496 k( 9) = ( 0.0000000 0.0000000 0.1025641), wk = 0.0036496 k( 10) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0036496 k( 11) = ( 0.0000000 0.0000000 0.1282051), wk = 0.0036496 k( 12) = ( 0.0000000 0.0000000 0.1410256), wk = 0.0036496 k( 13) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0036496 k( 14) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0036496 k( 15) = ( 0.0000000 0.0000000 0.1794872), wk = 0.0036496 k( 16) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0036496 k( 17) = ( 0.0000000 0.0000000 0.2051282), wk = 0.0036496 k( 18) = ( 0.0000000 0.0000000 0.2179487), wk = 0.0036496 k( 19) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0036496 k( 20) = ( 0.0000000 0.0000000 0.2435897), wk = 0.0036496 k( 21) = ( 0.0000000 0.0000000 0.2564103), wk = 0.0036496 k( 22) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0036496 k( 23) = ( 0.0000000 0.0000000 0.2820513), wk = 0.0036496 k( 24) = ( 0.0000000 0.0000000 0.2948718), wk = 0.0036496 k( 25) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0036496 k( 26) = ( 0.0000000 0.0000000 0.3205128), wk = 0.0036496 k( 27) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0036496 k( 28) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0036496 k( 29) = ( 0.0000000 0.0000000 0.3589744), wk = 0.0036496 k( 30) = ( 0.0000000 0.0000000 0.3717949), wk = 0.0036496 k( 31) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0036496 k( 32) = ( 0.0000000 0.0000000 0.3974359), wk = 0.0036496 k( 33) = ( 0.0000000 0.0000000 0.4102564), wk = 0.0036496 k( 34) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0036496 k( 35) = ( 0.0000000 0.0000000 0.4358974), wk = 0.0036496 k( 36) = ( 0.0000000 0.0000000 0.4487179), wk = 0.0036496 k( 37) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0036496 k( 38) = ( 0.0000000 0.0000000 0.4743590), wk = 0.0036496 k( 39) = ( 0.0000000 0.0000000 0.4871795), wk = 0.0036496 k( 40) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036496 k( 41) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036496 k( 42) = ( -0.0129143 0.0129143 0.5000000), wk = 0.0036496 k( 43) = ( -0.0258286 0.0258286 0.5000000), wk = 0.0036496 k( 44) = ( -0.0387429 0.0387428 0.5000000), wk = 0.0036496 k( 45) = ( -0.0516571 0.0516571 0.5000000), wk = 0.0036496 k( 46) = ( -0.0645714 0.0645714 0.5000000), wk = 0.0036496 k( 47) = ( -0.0774857 0.0774857 0.5000000), wk = 0.0036496 k( 48) = ( -0.0904000 0.0904000 0.5000000), wk = 0.0036496 k( 49) = ( -0.1033143 0.1033143 0.5000000), wk = 0.0036496 k( 50) = ( -0.1162286 0.1162286 0.5000000), wk = 0.0036496 k( 51) = ( -0.1291428 0.1291428 0.5000000), wk = 0.0036496 k( 52) = ( -0.1420571 0.1420571 0.5000000), wk = 0.0036496 k( 53) = ( -0.1420571 0.1420571 0.5000000), wk = 0.0036496 k( 54) = ( -0.1510057 0.1510057 0.4910514), wk = 0.0036496 k( 55) = ( -0.1599543 0.1599543 0.4821029), wk = 0.0036496 k( 56) = ( -0.1689028 0.1689028 0.4731543), wk = 0.0036496 k( 57) = ( -0.1778514 0.1778514 0.4642057), wk = 0.0036496 k( 58) = ( -0.1868000 0.1868000 0.4552571), wk = 0.0036496 k( 59) = ( -0.1957486 0.1957486 0.4463086), wk = 0.0036496 k( 60) = ( -0.2046971 0.2046971 0.4373600), wk = 0.0036496 k( 61) = ( -0.2136457 0.2136457 0.4284114), wk = 0.0036496 k( 62) = ( -0.2225943 0.2225943 0.4194628), wk = 0.0036496 k( 63) = ( -0.2315428 0.2315428 0.4105143), wk = 0.0036496 k( 64) = ( -0.2404914 0.2404914 0.4015657), wk = 0.0036496 k( 65) = ( -0.2494400 0.2494400 0.3926171), wk = 0.0036496 k( 66) = ( -0.2583886 0.2583886 0.3836686), wk = 0.0036496 k( 67) = ( -0.2673371 0.2673371 0.3747200), wk = 0.0036496 k( 68) = ( -0.2762857 0.2762857 0.3657714), wk = 0.0036496 k( 69) = ( -0.2852343 0.2852343 0.3568228), wk = 0.0036496 k( 70) = ( -0.2941828 0.2941828 0.3478743), wk = 0.0036496 k( 71) = ( -0.3031314 0.3031314 0.3389257), wk = 0.0036496 k( 72) = ( -0.3120800 0.3120800 0.3299771), wk = 0.0036496 k( 73) = ( -0.3210286 0.3210286 0.3210286), wk = 0.0036496 k( 74) = ( -0.3210286 0.3210286 0.3210286), wk = 0.0036496 k( 75) = ( -0.3121111 0.3121111 0.3121111), wk = 0.0036496 k( 76) = ( -0.3031936 0.3031936 0.3031936), wk = 0.0036496 k( 77) = ( -0.2942762 0.2942762 0.2942762), wk = 0.0036496 k( 78) = ( -0.2853587 0.2853587 0.2853587), wk = 0.0036496 k( 79) = ( -0.2764413 0.2764413 0.2764413), wk = 0.0036496 k( 80) = ( -0.2675238 0.2675238 0.2675238), wk = 0.0036496 k( 81) = ( -0.2586063 0.2586063 0.2586063), wk = 0.0036496 k( 82) = ( -0.2496889 0.2496889 0.2496889), wk = 0.0036496 k( 83) = ( -0.2407714 0.2407714 0.2407714), wk = 0.0036496 k( 84) = ( -0.2318540 0.2318540 0.2318540), wk = 0.0036496 k( 85) = ( -0.2229365 0.2229365 0.2229365), wk = 0.0036496 k( 86) = ( -0.2140190 0.2140190 0.2140190), wk = 0.0036496 k( 87) = ( -0.2051016 0.2051016 0.2051016), wk = 0.0036496 k( 88) = ( -0.1961841 0.1961841 0.1961841), wk = 0.0036496 k( 89) = ( -0.1872667 0.1872667 0.1872667), wk = 0.0036496 k( 90) = ( -0.1783492 0.1783492 0.1783492), wk = 0.0036496 k( 91) = ( -0.1694317 0.1694317 0.1694317), wk = 0.0036496 k( 92) = ( -0.1605143 0.1605143 0.1605143), wk = 0.0036496 k( 93) = ( -0.1515968 0.1515968 0.1515968), wk = 0.0036496 k( 94) = ( -0.1426794 0.1426794 0.1426794), wk = 0.0036496 k( 95) = ( -0.1337619 0.1337619 0.1337619), wk = 0.0036496 k( 96) = ( -0.1248444 0.1248444 0.1248444), wk = 0.0036496 k( 97) = ( -0.1159270 0.1159270 0.1159270), wk = 0.0036496 k( 98) = ( -0.1070095 0.1070095 0.1070095), wk = 0.0036496 k( 99) = ( -0.0980921 0.0980921 0.0980921), wk = 0.0036496 k( 100) = ( -0.0891746 0.0891746 0.0891746), wk = 0.0036496 k( 101) = ( -0.0802571 0.0802571 0.0802571), wk = 0.0036496 k( 102) = ( -0.0713397 0.0713397 0.0713397), wk = 0.0036496 k( 103) = ( -0.0624222 0.0624222 0.0624222), wk = 0.0036496 k( 104) = ( -0.0535048 0.0535048 0.0535048), wk = 0.0036496 k( 105) = ( -0.0445873 0.0445873 0.0445873), wk = 0.0036496 k( 106) = ( -0.0356698 0.0356698 0.0356698), wk = 0.0036496 k( 107) = ( -0.0267524 0.0267524 0.0267524), wk = 0.0036496 k( 108) = ( -0.0178349 0.0178349 0.0178349), wk = 0.0036496 k( 109) = ( -0.0089175 0.0089175 0.0089175), wk = 0.0036496 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 112) = ( 0.0166667 0.0166667 -0.0166667), wk = 0.0036496 k( 113) = ( 0.0333333 0.0333333 -0.0333333), wk = 0.0036496 k( 114) = ( 0.0500000 0.0500000 -0.0500000), wk = 0.0036496 k( 115) = ( 0.0666667 0.0666667 -0.0666667), wk = 0.0036496 k( 116) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0036496 k( 117) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0036496 k( 118) = ( 0.1166667 0.1166667 -0.1166667), wk = 0.0036496 k( 119) = ( 0.1333333 0.1333333 -0.1333333), wk = 0.0036496 k( 120) = ( 0.1500000 0.1500000 -0.1500000), wk = 0.0036496 k( 121) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0036496 k( 122) = ( 0.1833333 0.1833333 -0.1833333), wk = 0.0036496 k( 123) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0036496 k( 124) = ( 0.2166667 0.2166667 -0.2166667), wk = 0.0036496 k( 125) = ( 0.2333333 0.2333333 -0.2333333), wk = 0.0036496 k( 126) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0036496 k( 127) = ( 0.2666667 0.2666667 -0.2666667), wk = 0.0036496 k( 128) = ( 0.2833333 0.2833333 -0.2833333), wk = 0.0036496 k( 129) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0036496 k( 130) = ( 0.3166667 0.3166667 -0.3166667), wk = 0.0036496 k( 131) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0036496 k( 132) = ( 0.3500000 0.3500000 -0.3500000), wk = 0.0036496 k( 133) = ( 0.3666667 0.3666667 -0.3666667), wk = 0.0036496 k( 134) = ( 0.3833333 0.3833333 -0.3833333), wk = 0.0036496 k( 135) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0036496 k( 136) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0036496 k( 137) = ( 0.4333333 0.4333333 -0.4333333), wk = 0.0036496 k( 138) = ( 0.4500000 0.4500000 -0.4500000), wk = 0.0036496 k( 139) = ( 0.4666667 0.4666667 -0.4666667), wk = 0.0036496 k( 140) = ( 0.4833333 0.4833333 -0.4833333), wk = 0.0036496 k( 141) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036496 k( 142) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036496 k( 143) = ( 0.4910514 0.5089486 -0.4910514), wk = 0.0036496 k( 144) = ( 0.4821029 0.5178971 -0.4821029), wk = 0.0036496 k( 145) = ( 0.4731543 0.5268457 -0.4731543), wk = 0.0036496 k( 146) = ( 0.4642057 0.5357943 -0.4642057), wk = 0.0036496 k( 147) = ( 0.4552571 0.5447429 -0.4552571), wk = 0.0036496 k( 148) = ( 0.4463086 0.5536914 -0.4463086), wk = 0.0036496 k( 149) = ( 0.4373600 0.5626400 -0.4373600), wk = 0.0036496 k( 150) = ( 0.4284114 0.5715886 -0.4284114), wk = 0.0036496 k( 151) = ( 0.4194628 0.5805371 -0.4194628), wk = 0.0036496 k( 152) = ( 0.4105143 0.5894857 -0.4105143), wk = 0.0036496 k( 153) = ( 0.4015657 0.5984343 -0.4015657), wk = 0.0036496 k( 154) = ( 0.3926171 0.6073829 -0.3926171), wk = 0.0036496 k( 155) = ( 0.3836686 0.6163314 -0.3836686), wk = 0.0036496 k( 156) = ( 0.3747200 0.6252800 -0.3747200), wk = 0.0036496 k( 157) = ( 0.3657714 0.6342286 -0.3657714), wk = 0.0036496 k( 158) = ( 0.3568229 0.6431771 -0.3568229), wk = 0.0036496 k( 159) = ( 0.3478743 0.6521257 -0.3478743), wk = 0.0036496 k( 160) = ( 0.3389257 0.6610743 -0.3389257), wk = 0.0036496 k( 161) = ( 0.3299771 0.6700229 -0.3299771), wk = 0.0036496 k( 162) = ( 0.3210286 0.6789714 -0.3210286), wk = 0.0036496 k( 163) = ( 0.3210286 0.6789714 -0.3210286), wk = 0.0036496 k( 164) = ( 0.3021445 0.6684437 -0.3021445), wk = 0.0036496 k( 165) = ( 0.2832605 0.6579160 -0.2832605), wk = 0.0036496 k( 166) = ( 0.2643765 0.6473882 -0.2643765), wk = 0.0036496 k( 167) = ( 0.2454924 0.6368605 -0.2454924), wk = 0.0036496 k( 168) = ( 0.2266084 0.6263328 -0.2266084), wk = 0.0036496 k( 169) = ( 0.2077244 0.6158050 -0.2077244), wk = 0.0036496 k( 170) = ( 0.1888403 0.6052773 -0.1888403), wk = 0.0036496 k( 171) = ( 0.1699563 0.5947496 -0.1699563), wk = 0.0036496 k( 172) = ( 0.1510723 0.5842218 -0.1510723), wk = 0.0036496 k( 173) = ( 0.1321882 0.5736941 -0.1321882), wk = 0.0036496 k( 174) = ( 0.1133042 0.5631664 -0.1133042), wk = 0.0036496 k( 175) = ( 0.0944202 0.5526387 -0.0944202), wk = 0.0036496 k( 176) = ( 0.0755361 0.5421109 -0.0755361), wk = 0.0036496 k( 177) = ( 0.0566521 0.5315832 -0.0566521), wk = 0.0036496 k( 178) = ( 0.0377681 0.5210555 -0.0377681), wk = 0.0036496 k( 179) = ( 0.0188840 0.5105277 -0.0188840), wk = 0.0036496 k( 180) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036496 k( 181) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036496 k( 182) = ( 0.0089286 0.4910714 0.0089286), wk = 0.0036496 k( 183) = ( 0.0178571 0.4821429 0.0178571), wk = 0.0036496 k( 184) = ( 0.0267857 0.4732143 0.0267857), wk = 0.0036496 k( 185) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0036496 k( 186) = ( 0.0446429 0.4553571 0.0446429), wk = 0.0036496 k( 187) = ( 0.0535714 0.4464286 0.0535714), wk = 0.0036496 k( 188) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0036496 k( 189) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0036496 k( 190) = ( 0.0803571 0.4196429 0.0803571), wk = 0.0036496 k( 191) = ( 0.0892857 0.4107143 0.0892857), wk = 0.0036496 k( 192) = ( 0.0982143 0.4017857 0.0982143), wk = 0.0036496 k( 193) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0036496 k( 194) = ( 0.1160714 0.3839286 0.1160714), wk = 0.0036496 k( 195) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0036496 k( 196) = ( 0.1339286 0.3660714 0.1339286), wk = 0.0036496 k( 197) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0036496 k( 198) = ( 0.1517857 0.3482143 0.1517857), wk = 0.0036496 k( 199) = ( 0.1607143 0.3392857 0.1607143), wk = 0.0036496 k( 200) = ( 0.1696429 0.3303571 0.1696429), wk = 0.0036496 k( 201) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0036496 k( 202) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0036496 k( 203) = ( 0.1964286 0.3035714 0.1964286), wk = 0.0036496 k( 204) = ( 0.2053571 0.2946429 0.2053571), wk = 0.0036496 k( 205) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0036496 k( 206) = ( 0.2232143 0.2767857 0.2232143), wk = 0.0036496 k( 207) = ( 0.2321429 0.2678571 0.2321429), wk = 0.0036496 k( 208) = ( 0.2410714 0.2589286 0.2410714), wk = 0.0036496 k( 209) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036496 k( 210) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036496 k( 211) = ( 0.2631579 0.2631579 0.2293654), wk = 0.0036496 k( 212) = ( 0.2763158 0.2763158 0.2087308), wk = 0.0036496 k( 213) = ( 0.2894737 0.2894737 0.1880962), wk = 0.0036496 k( 214) = ( 0.3026316 0.3026316 0.1674617), wk = 0.0036496 k( 215) = ( 0.3157895 0.3157895 0.1468271), wk = 0.0036496 k( 216) = ( 0.3289474 0.3289474 0.1261925), wk = 0.0036496 k( 217) = ( 0.3421053 0.3421053 0.1055579), wk = 0.0036496 k( 218) = ( 0.3552632 0.3552632 0.0849233), wk = 0.0036496 k( 219) = ( 0.3684211 0.3684211 0.0642887), wk = 0.0036496 k( 220) = ( 0.3815789 0.3815790 0.0436541), wk = 0.0036496 k( 221) = ( 0.3947368 0.3947368 0.0230196), wk = 0.0036496 k( 222) = ( 0.4078947 0.4078947 0.0023850), wk = 0.0036496 k( 223) = ( 0.4210526 0.4210526 -0.0182496), wk = 0.0036496 k( 224) = ( 0.4342105 0.4342105 -0.0388842), wk = 0.0036496 k( 225) = ( 0.4473684 0.4473684 -0.0595188), wk = 0.0036496 k( 226) = ( 0.4605263 0.4605263 -0.0801534), wk = 0.0036496 k( 227) = ( 0.4736842 0.4736842 -0.1007880), wk = 0.0036496 k( 228) = ( 0.4868421 0.4868421 -0.1214225), wk = 0.0036496 k( 229) = ( 0.5000000 0.5000000 -0.1420571), wk = 0.0036496 k( 230) = ( 0.5000000 0.5000000 -0.1420571), wk = 0.0036496 k( 231) = ( 0.5000000 0.5000000 -0.1548408), wk = 0.0036496 k( 232) = ( 0.5000000 0.5000000 -0.1676245), wk = 0.0036496 k( 233) = ( 0.5000000 0.5000000 -0.1804081), wk = 0.0036496 k( 234) = ( 0.5000000 0.5000000 -0.1931918), wk = 0.0036496 k( 235) = ( 0.5000000 0.5000000 -0.2059755), wk = 0.0036496 k( 236) = ( 0.5000000 0.5000000 -0.2187592), wk = 0.0036496 k( 237) = ( 0.5000000 0.5000000 -0.2315428), wk = 0.0036496 k( 238) = ( 0.5000000 0.5000000 -0.2443265), wk = 0.0036496 k( 239) = ( 0.5000000 0.5000000 -0.2571102), wk = 0.0036496 k( 240) = ( 0.5000000 0.5000000 -0.2698939), wk = 0.0036496 k( 241) = ( 0.5000000 0.5000000 -0.2826775), wk = 0.0036496 k( 242) = ( 0.5000000 0.5000000 -0.2954612), wk = 0.0036496 k( 243) = ( 0.5000000 0.5000000 -0.3082449), wk = 0.0036496 k( 244) = ( 0.5000000 0.5000000 -0.3210286), wk = 0.0036496 k( 245) = ( 0.5000000 0.5000000 -0.3338122), wk = 0.0036496 k( 246) = ( 0.5000000 0.5000000 -0.3465959), wk = 0.0036496 k( 247) = ( 0.5000000 0.5000000 -0.3593796), wk = 0.0036496 k( 248) = ( 0.5000000 0.5000000 -0.3721633), wk = 0.0036496 k( 249) = ( 0.5000000 0.5000000 -0.3849469), wk = 0.0036496 k( 250) = ( 0.5000000 0.5000000 -0.3977306), wk = 0.0036496 k( 251) = ( 0.5000000 0.5000000 -0.4105143), wk = 0.0036496 k( 252) = ( 0.5000000 0.5000000 -0.4232980), wk = 0.0036496 k( 253) = ( 0.5000000 0.5000000 -0.4360816), wk = 0.0036496 k( 254) = ( 0.5000000 0.5000000 -0.4488653), wk = 0.0036496 k( 255) = ( 0.5000000 0.5000000 -0.4616490), wk = 0.0036496 k( 256) = ( 0.5000000 0.5000000 -0.4744327), wk = 0.0036496 k( 257) = ( 0.5000000 0.5000000 -0.4872163), wk = 0.0036496 k( 258) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036496 k( 259) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036496 k( 260) = ( 0.0166667 0.0166667 0.4833333), wk = 0.0036496 k( 261) = ( 0.0333333 0.0333333 0.4666667), wk = 0.0036496 k( 262) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0036496 k( 263) = ( 0.0666667 0.0666667 0.4333333), wk = 0.0036496 k( 264) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0036496 k( 265) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0036496 k( 266) = ( 0.1166667 0.1166667 0.3833333), wk = 0.0036496 k( 267) = ( 0.1333333 0.1333333 0.3666667), wk = 0.0036496 k( 268) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0036496 k( 269) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0036496 k( 270) = ( 0.1833333 0.1833333 0.3166667), wk = 0.0036496 k( 271) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0036496 k( 272) = ( 0.2166667 0.2166667 0.2833333), wk = 0.0036496 k( 273) = ( 0.2333333 0.2333333 0.2666667), wk = 0.0036496 k( 274) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036496 Dense grid: 326389 G-vectors FFT dimensions: ( 108, 108, 108) Smooth grid: 37811 G-vectors FFT dimensions: ( 50, 50, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.20 Mb ( 212, 62) NL pseudopotentials 0.38 Mb ( 106, 232) Each V/rho on FFT grid 0.53 Mb ( 34992) Each G-vector array 0.05 Mb ( 6802) G-vector shells 0.02 Mb ( 3063) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.80 Mb ( 212, 248) Each subspace H/S matrix 0.94 Mb ( 248, 248) Each matrix 0.44 Mb ( 232, 2, 62) The potential is recalculated from file : ./CdGeP2.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 47.1 secs Computing kpt #: 2 total cpu time spent up to now is 52.1 secs Computing kpt #: 3 total cpu time spent up to now is 57.0 secs Computing kpt #: 4 total cpu time spent up to now is 61.8 secs Computing kpt #: 5 total cpu time spent up to now is 66.2 secs Computing kpt #: 6 total cpu time spent up to now is 71.0 secs Computing kpt #: 7 total cpu time spent up to now is 75.5 secs Computing kpt #: 8 total cpu time spent up to now is 80.1 secs Computing kpt #: 9 total cpu time spent up to now is 84.6 secs Computing kpt #: 10 total cpu time spent up to now is 89.4 secs Computing kpt #: 11 total cpu time spent up to now is 93.9 secs Computing kpt #: 12 total cpu time spent up to now is 98.5 secs Computing kpt #: 13 total cpu time spent up to now is 102.7 secs Computing kpt #: 14 total cpu time spent up to now is 107.3 secs Computing kpt #: 15 total cpu time spent up to now is 111.7 secs Computing kpt #: 16 total cpu time spent up to now is 116.2 secs Computing kpt #: 17 total cpu time spent up to now is 121.1 secs Computing kpt #: 18 total cpu time spent up to now is 126.3 secs Computing kpt #: 19 total cpu time spent up to now is 132.2 secs Computing kpt #: 20 total cpu time spent up to now is 139.0 secs Computing kpt #: 21 total cpu time spent up to now is 144.5 secs Computing kpt #: 22 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 153.1 secs Computing kpt #: 23 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 161.5 secs Computing kpt #: 24 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 169.8 secs Computing kpt #: 25 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 178.1 secs Computing kpt #: 26 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 186.3 secs Computing kpt #: 27 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 194.5 secs Computing kpt #: 28 total cpu time spent up to now is 200.4 secs Computing kpt #: 29 total cpu time spent up to now is 206.5 secs Computing kpt #: 30 total cpu time spent up to now is 214.9 secs Computing kpt #: 31 total cpu time spent up to now is 220.9 secs Computing kpt #: 32 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 229.1 secs Computing kpt #: 33 total cpu time spent up to now is 235.0 secs Computing kpt #: 34 total cpu time spent up to now is 240.9 secs Computing kpt #: 35 total cpu time spent up to now is 247.7 secs Computing kpt #: 36 total cpu time spent up to now is 254.1 secs Computing kpt #: 37 total cpu time spent up to now is 260.8 secs Computing kpt #: 38 total cpu time spent up to now is 267.1 secs Computing kpt #: 39 total cpu time spent up to now is 274.3 secs Computing kpt #: 40 total cpu time spent up to now is 279.8 secs Computing kpt #: 41 total cpu time spent up to now is 286.0 secs Computing kpt #: 42 total cpu time spent up to now is 291.9 secs Computing kpt #: 43 total cpu time spent up to now is 297.7 secs Computing kpt #: 44 total cpu time spent up to now is 303.7 secs Computing kpt #: 45 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 311.8 secs Computing kpt #: 46 total cpu time spent up to now is 317.2 secs Computing kpt #: 47 total cpu time spent up to now is 322.9 secs Computing kpt #: 48 total cpu time spent up to now is 328.2 secs Computing kpt #: 49 total cpu time spent up to now is 333.6 secs Computing kpt #: 50 total cpu time spent up to now is 339.1 secs Computing kpt #: 51 total cpu time spent up to now is 344.7 secs Computing kpt #: 52 total cpu time spent up to now is 350.1 secs Computing kpt #: 53 total cpu time spent up to now is 355.5 secs Computing kpt #: 54 total cpu time spent up to now is 361.2 secs Computing kpt #: 55 total cpu time spent up to now is 366.7 secs Computing kpt #: 56 total cpu time spent up to now is 373.6 secs Computing kpt #: 57 total cpu time spent up to now is 380.4 secs Computing kpt #: 58 total cpu time spent up to now is 387.5 secs Computing kpt #: 59 total cpu time spent up to now is 393.4 secs Computing kpt #: 60 total cpu time spent up to now is 399.4 secs Computing kpt #: 61 total cpu time spent up to now is 405.5 secs Computing kpt #: 62 total cpu time spent up to now is 410.9 secs Computing kpt #: 63 total cpu time spent up to now is 416.5 secs Computing kpt #: 64 total cpu time spent up to now is 422.2 secs Computing kpt #: 65 total cpu time spent up to now is 427.5 secs Computing kpt #: 66 total cpu time spent up to now is 432.6 secs Computing kpt #: 67 total cpu time spent up to now is 437.7 secs Computing kpt #: 68 total cpu time spent up to now is 442.9 secs Computing kpt #: 69 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 450.9 secs Computing kpt #: 70 total cpu time spent up to now is 456.2 secs Computing kpt #: 71 total cpu time spent up to now is 461.5 secs Computing kpt #: 72 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 469.4 secs Computing kpt #: 73 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 477.3 secs Computing kpt #: 74 total cpu time spent up to now is 483.0 secs Computing kpt #: 75 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 491.1 secs Computing kpt #: 76 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 499.2 secs Computing kpt #: 77 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 507.7 secs Computing kpt #: 78 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 516.3 secs Computing kpt #: 79 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 524.5 secs Computing kpt #: 80 total cpu time spent up to now is 532.5 secs Computing kpt #: 81 total cpu time spent up to now is 539.2 secs Computing kpt #: 82 total cpu time spent up to now is 545.5 secs Computing kpt #: 83 total cpu time spent up to now is 551.3 secs Computing kpt #: 84 total cpu time spent up to now is 557.2 secs Computing kpt #: 85 total cpu time spent up to now is 563.4 secs Computing kpt #: 86 total cpu time spent up to now is 569.0 secs Computing kpt #: 87 total cpu time spent up to now is 574.3 secs Computing kpt #: 88 total cpu time spent up to now is 579.4 secs Computing kpt #: 89 total cpu time spent up to now is 584.7 secs Computing kpt #: 90 total cpu time spent up to now is 592.6 secs Computing kpt #: 91 total cpu time spent up to now is 599.6 secs Computing kpt #: 92 total cpu time spent up to now is 605.2 secs Computing kpt #: 93 total cpu time spent up to now is 610.0 secs Computing kpt #: 94 total cpu time spent up to now is 615.0 secs Computing kpt #: 95 total cpu time spent up to now is 619.9 secs Computing kpt #: 96 total cpu time spent up to now is 624.4 secs Computing kpt #: 97 total cpu time spent up to now is 629.4 secs Computing kpt #: 98 total cpu time spent up to now is 634.0 secs Computing kpt #: 99 total cpu time spent up to now is 639.3 secs Computing kpt #: 100 total cpu time spent up to now is 643.9 secs Computing kpt #: 101 total cpu time spent up to now is 649.1 secs Computing kpt #: 102 total cpu time spent up to now is 653.9 secs Computing kpt #: 103 total cpu time spent up to now is 658.8 secs Computing kpt #: 104 total cpu time spent up to now is 663.4 secs Computing kpt #: 105 total cpu time spent up to now is 668.0 secs Computing kpt #: 106 total cpu time spent up to now is 673.1 secs Computing kpt #: 107 total cpu time spent up to now is 678.0 secs Computing kpt #: 108 total cpu time spent up to now is 682.9 secs Computing kpt #: 109 total cpu time spent up to now is 687.7 secs Computing kpt #: 110 total cpu time spent up to now is 692.4 secs Computing kpt #: 111 total cpu time spent up to now is 696.8 secs Computing kpt #: 112 total cpu time spent up to now is 701.5 secs Computing kpt #: 113 total cpu time spent up to now is 706.3 secs Computing kpt #: 114 total cpu time spent up to now is 711.2 secs Computing kpt #: 115 total cpu time spent up to now is 716.4 secs Computing kpt #: 116 total cpu time spent up to now is 721.9 secs Computing kpt #: 117 total cpu time spent up to now is 727.8 secs Computing kpt #: 118 total cpu time spent up to now is 733.4 secs Computing kpt #: 119 total cpu time spent up to now is 738.8 secs Computing kpt #: 120 total cpu time spent up to now is 744.1 secs Computing kpt #: 121 total cpu time spent up to now is 749.5 secs Computing kpt #: 122 total cpu time spent up to now is 756.4 secs Computing kpt #: 123 total cpu time spent up to now is 763.4 secs Computing kpt #: 124 total cpu time spent up to now is 768.6 secs Computing kpt #: 125 total cpu time spent up to now is 773.9 secs Computing kpt #: 126 total cpu time spent up to now is 779.3 secs Computing kpt #: 127 total cpu time spent up to now is 784.5 secs Computing kpt #: 128 total cpu time spent up to now is 789.7 secs Computing kpt #: 129 total cpu time spent up to now is 794.3 secs Computing kpt #: 130 total cpu time spent up to now is 798.9 secs Computing kpt #: 131 total cpu time spent up to now is 803.4 secs Computing kpt #: 132 total cpu time spent up to now is 808.6 secs Computing kpt #: 133 total cpu time spent up to now is 815.1 secs Computing kpt #: 134 total cpu time spent up to now is 819.6 secs Computing kpt #: 135 total cpu time spent up to now is 824.0 secs Computing kpt #: 136 total cpu time spent up to now is 828.5 secs Computing kpt #: 137 total cpu time spent up to now is 832.9 secs Computing kpt #: 138 total cpu time spent up to now is 837.5 secs Computing kpt #: 139 total cpu time spent up to now is 842.4 secs Computing kpt #: 140 total cpu time spent up to now is 847.2 secs Computing kpt #: 141 total cpu time spent up to now is 851.8 secs Computing kpt #: 142 total cpu time spent up to now is 856.3 secs Computing kpt #: 143 total cpu time spent up to now is 861.5 secs Computing kpt #: 144 total cpu time spent up to now is 866.7 secs Computing kpt #: 145 total cpu time spent up to now is 872.3 secs Computing kpt #: 146 total cpu time spent up to now is 877.5 secs Computing kpt #: 147 total cpu time spent up to now is 882.7 secs Computing kpt #: 148 total cpu time spent up to now is 887.9 secs Computing kpt #: 149 total cpu time spent up to now is 893.1 secs Computing kpt #: 150 total cpu time spent up to now is 898.2 secs Computing kpt #: 151 total cpu time spent up to now is 903.4 secs Computing kpt #: 152 total cpu time spent up to now is 908.5 secs Computing kpt #: 153 total cpu time spent up to now is 913.8 secs Computing kpt #: 154 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 921.8 secs Computing kpt #: 155 total cpu time spent up to now is 927.3 secs Computing kpt #: 156 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 935.3 secs Computing kpt #: 157 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 943.4 secs Computing kpt #: 158 total cpu time spent up to now is 948.8 secs Computing kpt #: 159 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 956.9 secs Computing kpt #: 160 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 964.9 secs Computing kpt #: 161 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 972.9 secs Computing kpt #: 162 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 980.9 secs Computing kpt #: 163 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 989.1 secs Computing kpt #: 164 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 997.3 secs Computing kpt #: 165 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1006.1 secs Computing kpt #: 166 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1014.1 secs Computing kpt #: 167 total cpu time spent up to now is 1021.2 secs Computing kpt #: 168 total cpu time spent up to now is 1026.9 secs Computing kpt #: 169 total cpu time spent up to now is 1033.5 secs Computing kpt #: 170 total cpu time spent up to now is 1040.2 secs Computing kpt #: 171 total cpu time spent up to now is 1047.0 secs Computing kpt #: 172 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1055.2 secs Computing kpt #: 173 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1063.4 secs Computing kpt #: 174 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1071.6 secs Computing kpt #: 175 total cpu time spent up to now is 1079.3 secs Computing kpt #: 176 total cpu time spent up to now is 1086.3 secs Computing kpt #: 177 total cpu time spent up to now is 1094.5 secs Computing kpt #: 178 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1102.9 secs Computing kpt #: 179 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1112.9 secs Computing kpt #: 180 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1121.7 secs Computing kpt #: 181 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1129.7 secs Computing kpt #: 182 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1138.3 secs Computing kpt #: 183 total cpu time spent up to now is 1145.2 secs Computing kpt #: 184 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1153.6 secs Computing kpt #: 185 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1162.3 secs Computing kpt #: 186 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1170.9 secs Computing kpt #: 187 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1180.2 secs Computing kpt #: 188 total cpu time spent up to now is 1186.3 secs Computing kpt #: 189 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1195.1 secs Computing kpt #: 190 total cpu time spent up to now is 1200.7 secs Computing kpt #: 191 total cpu time spent up to now is 1206.2 secs Computing kpt #: 192 total cpu time spent up to now is 1211.7 secs Computing kpt #: 193 total cpu time spent up to now is 1217.1 secs Computing kpt #: 194 total cpu time spent up to now is 1222.4 secs Computing kpt #: 195 total cpu time spent up to now is 1227.7 secs Computing kpt #: 196 total cpu time spent up to now is 1233.3 secs Computing kpt #: 197 total cpu time spent up to now is 1238.4 secs Computing kpt #: 198 total cpu time spent up to now is 1243.9 secs Computing kpt #: 199 total cpu time spent up to now is 1249.0 secs Computing kpt #: 200 total cpu time spent up to now is 1254.2 secs Computing kpt #: 201 total cpu time spent up to now is 1260.2 secs Computing kpt #: 202 total cpu time spent up to now is 1266.4 secs Computing kpt #: 203 total cpu time spent up to now is 1272.5 secs Computing kpt #: 204 total cpu time spent up to now is 1278.0 secs Computing kpt #: 205 total cpu time spent up to now is 1283.6 secs Computing kpt #: 206 total cpu time spent up to now is 1289.6 secs Computing kpt #: 207 total cpu time spent up to now is 1295.1 secs Computing kpt #: 208 total cpu time spent up to now is 1302.2 secs Computing kpt #: 209 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1310.3 secs Computing kpt #: 210 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1318.4 secs Computing kpt #: 211 total cpu time spent up to now is 1324.3 secs Computing kpt #: 212 total cpu time spent up to now is 1330.5 secs Computing kpt #: 213 total cpu time spent up to now is 1336.0 secs Computing kpt #: 214 total cpu time spent up to now is 1341.5 secs Computing kpt #: 215 total cpu time spent up to now is 1346.5 secs Computing kpt #: 216 total cpu time spent up to now is 1351.8 secs Computing kpt #: 217 total cpu time spent up to now is 1356.9 secs Computing kpt #: 218 total cpu time spent up to now is 1362.0 secs Computing kpt #: 219 total cpu time spent up to now is 1368.8 secs Computing kpt #: 220 total cpu time spent up to now is 1374.0 secs Computing kpt #: 221 total cpu time spent up to now is 1379.4 secs Computing kpt #: 222 total cpu time spent up to now is 1384.6 secs Computing kpt #: 223 total cpu time spent up to now is 1390.4 secs Computing kpt #: 224 total cpu time spent up to now is 1395.7 secs Computing kpt #: 225 total cpu time spent up to now is 1400.8 secs Computing kpt #: 226 total cpu time spent up to now is 1406.5 secs Computing kpt #: 227 total cpu time spent up to now is 1414.0 secs Computing kpt #: 228 total cpu time spent up to now is 1419.5 secs Computing kpt #: 229 total cpu time spent up to now is 1425.1 secs Computing kpt #: 230 total cpu time spent up to now is 1430.7 secs Computing kpt #: 231 total cpu time spent up to now is 1436.4 secs Computing kpt #: 232 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1444.7 secs Computing kpt #: 233 total cpu time spent up to now is 1450.2 secs Computing kpt #: 234 total cpu time spent up to now is 1455.7 secs Computing kpt #: 235 total cpu time spent up to now is 1463.0 secs Computing kpt #: 236 total cpu time spent up to now is 1469.9 secs Computing kpt #: 237 total cpu time spent up to now is 1475.2 secs Computing kpt #: 238 total cpu time spent up to now is 1482.4 secs Computing kpt #: 239 total cpu time spent up to now is 1487.8 secs Computing kpt #: 240 total cpu time spent up to now is 1493.8 secs Computing kpt #: 241 total cpu time spent up to now is 1499.2 secs Computing kpt #: 242 total cpu time spent up to now is 1504.8 secs Computing kpt #: 243 total cpu time spent up to now is 1510.3 secs Computing kpt #: 244 total cpu time spent up to now is 1516.1 secs Computing kpt #: 245 total cpu time spent up to now is 1521.3 secs Computing kpt #: 246 total cpu time spent up to now is 1526.5 secs Computing kpt #: 247 total cpu time spent up to now is 1531.8 secs Computing kpt #: 248 total cpu time spent up to now is 1536.8 secs Computing kpt #: 249 total cpu time spent up to now is 1542.5 secs Computing kpt #: 250 total cpu time spent up to now is 1547.8 secs Computing kpt #: 251 total cpu time spent up to now is 1553.0 secs Computing kpt #: 252 total cpu time spent up to now is 1558.4 secs Computing kpt #: 253 total cpu time spent up to now is 1563.3 secs Computing kpt #: 254 total cpu time spent up to now is 1569.8 secs Computing kpt #: 255 total cpu time spent up to now is 1575.0 secs Computing kpt #: 256 total cpu time spent up to now is 1580.0 secs Computing kpt #: 257 total cpu time spent up to now is 1585.5 secs Computing kpt #: 258 total cpu time spent up to now is 1590.5 secs Computing kpt #: 259 total cpu time spent up to now is 1596.2 secs Computing kpt #: 260 total cpu time spent up to now is 1602.3 secs Computing kpt #: 261 total cpu time spent up to now is 1608.1 secs Computing kpt #: 262 total cpu time spent up to now is 1614.1 secs Computing kpt #: 263 total cpu time spent up to now is 1620.7 secs Computing kpt #: 264 total cpu time spent up to now is 1626.5 secs Computing kpt #: 265 total cpu time spent up to now is 1633.5 secs Computing kpt #: 266 total cpu time spent up to now is 1639.4 secs Computing kpt #: 267 total cpu time spent up to now is 1646.1 secs Computing kpt #: 268 total cpu time spent up to now is 1652.4 secs Computing kpt #: 269 total cpu time spent up to now is 1659.1 secs Computing kpt #: 270 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1667.5 secs Computing kpt #: 271 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1676.4 secs Computing kpt #: 272 total cpu time spent up to now is 1683.3 secs Computing kpt #: 273 total cpu time spent up to now is 1690.0 secs Computing kpt #: 274 total cpu time spent up to now is 1695.8 secs ethr = 1.92E-11, avg # of iterations = 65.3 total cpu time spent up to now is 1696.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4771 PWs) bands (ev): -6.3433 -6.3433 -3.7418 -3.7418 -3.7382 -3.7382 -3.7012 -3.7012 -2.8417 -2.8417 -1.9869 -1.9869 -1.9718 -1.9718 -1.7515 -1.7515 -1.6619 -1.6619 -1.3713 -1.3713 -1.3186 -1.3186 -1.2337 -1.2337 -1.0224 -1.0224 -1.0056 -1.0056 -0.9212 -0.9212 0.2336 0.2336 2.2755 2.2755 2.3425 2.3425 2.5919 2.5919 2.7417 2.7417 3.4518 3.4518 4.3819 4.3819 4.4590 4.4590 6.3534 6.3534 6.4225 6.4225 6.6332 6.6332 7.5907 7.5907 8.0258 8.0258 8.4934 8.4934 9.6812 9.6812 9.8572 9.8572 k = 0.0000 0.0000 0.0213 ( 4761 PWs) bands (ev): -6.3424 -6.3424 -3.7441 -3.7420 -3.7403 -3.7394 -3.7025 -3.7024 -2.8417 -2.8355 -1.9905 -1.9836 -1.9726 -1.9713 -1.7553 -1.7481 -1.6701 -1.6531 -1.3742 -1.3685 -1.3191 -1.3186 -1.2359 -1.2320 -1.0292 -1.0185 -1.0075 -1.0020 -0.9210 -0.9209 0.2342 0.2354 2.2731 2.2771 2.3415 2.3422 2.5927 2.5947 2.7435 2.7454 3.4503 3.4523 4.3786 4.3853 4.4590 4.4594 6.3422 6.3428 6.4126 6.4142 6.6288 6.6299 7.6062 7.6077 8.0283 8.0339 8.4992 8.4993 9.6793 9.6834 9.8560 9.8569 k = 0.0000 0.0000 0.0426 ( 4757 PWs) bands (ev): -6.3398 -6.3397 -3.7518 -3.7485 -3.7426 -3.7411 -3.7062 -3.7048 -2.8359 -2.8235 -1.9942 -1.9807 -1.9736 -1.9714 -1.7594 -1.7452 -1.6774 -1.6439 -1.3772 -1.3657 -1.3201 -1.3190 -1.2384 -1.2306 -1.0369 -1.0204 -1.0053 -0.9981 -0.9207 -0.9194 0.2371 0.2396 2.2702 2.2777 2.3398 2.3407 2.5968 2.6007 2.7508 2.7545 3.4479 3.4519 4.3744 4.3889 4.4591 4.4615 6.3003 6.3010 6.3973 6.3995 6.6170 6.6179 7.6512 7.6535 8.0410 8.0518 8.5167 8.5173 9.6783 9.6856 9.8536 9.8553 k = 0.0000 0.0000 0.0639 ( 4753 PWs) bands (ev): -6.3355 -6.3353 -3.7659 -3.7633 -3.7449 -3.7425 -3.7111 -3.7070 -2.8246 -2.8060 -1.9980 -1.9793 -1.9737 -1.9718 -1.7637 -1.7433 -1.6837 -1.6345 -1.3804 -1.3630 -1.3217 -1.3197 -1.2411 -1.2297 -1.0448 -1.0258 -1.0020 -0.9938 -0.9208 -0.9160 0.2421 0.2458 2.2666 2.2767 2.3388 2.3390 2.6038 2.6095 2.7633 2.7687 3.4443 3.4500 4.3684 4.3921 4.4610 4.4673 6.2228 6.2260 6.3877 6.3892 6.5973 6.5979 7.7182 7.7206 8.0625 8.0773 8.5470 8.5488 9.6788 9.6875 9.8505 9.8529 k = 0.0000 0.0000 0.0852 ( 4753 PWs) bands (ev): -6.3294 -6.3292 -3.7860 -3.7848 -3.7477 -3.7447 -3.7164 -3.7087 -2.8083 -2.7835 -2.0021 -1.9804 -1.9727 -1.9717 -1.7680 -1.7426 -1.6884 -1.6249 -1.3837 -1.3603 -1.3238 -1.3207 -1.2440 -1.2291 -1.0526 -1.0331 -0.9996 -0.9893 -0.9212 -0.9106 0.2488 0.2535 2.2621 2.2733 2.3384 2.3403 2.6130 2.6206 2.7804 2.7874 3.4389 3.4460 4.3613 4.3940 4.4668 4.4779 6.1216 6.1273 6.3804 6.3812 6.5687 6.5712 7.7991 7.8009 8.0905 8.1076 8.5912 8.5953 9.6813 9.6890 9.8472 9.8502 k = 0.0000 0.0000 0.1065 ( 4749 PWs) bands (ev): -6.3216 -6.3214 -3.8121 -3.8118 -3.7513 -3.7476 -3.7215 -3.7101 -2.7878 -2.7568 -2.0062 -1.9829 -1.9739 -1.9690 -1.7724 -1.7436 -1.6913 -1.6155 -1.3871 -1.3576 -1.3265 -1.3219 -1.2471 -1.2290 -1.0603 -1.0417 -0.9981 -0.9844 -0.9221 -0.9032 0.2565 0.2623 2.2564 2.2672 2.3407 2.3461 2.6235 2.6330 2.8017 2.8102 3.4314 3.4395 4.3548 4.3948 4.4780 4.4934 6.0060 6.0134 6.3729 6.3731 6.5328 6.5372 7.8868 7.8879 8.1223 8.1401 8.6506 8.6581 9.6861 9.6904 9.8444 9.8479 k = 0.0000 0.0000 0.1278 ( 4761 PWs) bands (ev): -6.3121 -6.3118 -3.8441 -3.8425 -3.7558 -3.7515 -3.7262 -3.7115 -2.7638 -2.7266 -2.0105 -1.9860 -1.9755 -1.9660 -1.7768 -1.7463 -1.6922 -1.6062 -1.3908 -1.3549 -1.3297 -1.3232 -1.2502 -1.2293 -1.0678 -1.0514 -0.9973 -0.9792 -0.9233 -0.8944 0.2646 0.2715 2.2491 2.2587 2.3475 2.3571 2.6339 2.6456 2.8265 2.8364 3.4218 3.4306 4.3512 4.3962 4.4942 4.5130 5.8814 5.8900 6.3633 6.3649 6.4907 6.4962 7.9762 7.9765 8.1556 8.1726 8.7260 8.7377 9.6917 9.6929 9.8429 9.8467 k = 0.0000 0.0000 0.1491 ( 4765 PWs) bands (ev): -6.3009 -6.3006 -3.8799 -3.8772 -3.7611 -3.7564 -3.7305 -3.7129 -2.7368 -2.6934 -2.0149 -1.9895 -1.9773 -1.9630 -1.7812 -1.7506 -1.6913 -1.5974 -1.3946 -1.3524 -1.3332 -1.3246 -1.2533 -1.2300 -1.0752 -1.0619 -0.9967 -0.9735 -0.9245 -0.8848 0.2726 0.2803 2.2405 2.2487 2.3600 2.3739 2.6427 2.6568 2.8542 2.8655 3.4108 3.4198 4.3525 4.4005 4.5143 4.5359 5.7520 5.7611 6.3505 6.3553 6.4442 6.4490 8.0631 8.0636 8.1887 8.2040 8.8172 8.8335 9.6930 9.7007 9.8440 9.8473 k = 0.0000 0.0000 0.1704 ( 4763 PWs) bands (ev): -6.2880 -6.2877 -3.9187 -3.9152 -3.7674 -3.7621 -3.7344 -3.7144 -2.7074 -2.6579 -2.0194 -1.9934 -1.9793 -1.9600 -1.7855 -1.7560 -1.6890 -1.5890 -1.3985 -1.3504 -1.3367 -1.3260 -1.2562 -1.2310 -1.0823 -1.0727 -0.9963 -0.9678 -0.9254 -0.8747 0.2796 0.2881 2.2310 2.2379 2.3787 2.3967 2.6479 2.6649 2.8844 2.8971 3.3998 3.4089 4.3601 4.4095 4.5367 4.5609 5.6207 5.6297 6.3303 6.3430 6.3971 6.3981 8.1454 8.1462 8.2211 8.2340 8.9230 8.9437 9.6940 9.7077 9.8498 9.8504 k = 0.0000 0.0000 0.1917 ( 4765 PWs) bands (ev): -6.2735 -6.2732 -3.9600 -3.9559 -3.7746 -3.7687 -3.7381 -3.7162 -2.6761 -2.6207 -2.0240 -1.9976 -1.9815 -1.9570 -1.7898 -1.7623 -1.6858 -1.5814 -1.4025 -1.3500 -1.3388 -1.3274 -1.2590 -1.2324 -1.0892 -1.0835 -0.9960 -0.9624 -0.9254 -0.8646 0.2853 0.2943 2.2213 2.2270 2.4041 2.4260 2.6473 2.6676 2.9166 2.9309 3.3914 3.4006 4.3747 4.4241 4.5594 4.5862 5.4907 5.4987 6.2922 6.3181 6.3511 6.3634 8.2214 8.2223 8.2527 8.2631 9.0415 9.0662 9.6940 9.7117 9.8571 9.8621 k = 0.0000 0.0000 0.2130 ( 4769 PWs) bands (ev): -6.2574 -6.2571 -4.0033 -3.9988 -3.7825 -3.7761 -3.7415 -3.7181 -2.6433 -2.5821 -2.0286 -2.0022 -1.9837 -1.9540 -1.7939 -1.7691 -1.6818 -1.5746 -1.4066 -1.3523 -1.3383 -1.3286 -1.2617 -1.2342 -1.0960 -1.0939 -0.9957 -0.9584 -0.9234 -0.8548 0.2889 0.2983 2.2120 2.2166 2.4362 2.4618 2.6385 2.6626 2.9505 2.9665 3.3886 3.3980 4.3961 4.4447 4.5799 4.6094 5.3653 5.3717 6.2352 6.2626 6.3297 6.3418 8.2834 8.2899 8.2904 8.2924 9.1705 9.1986 9.6923 9.7110 9.8681 9.8819 k = 0.0000 0.0000 0.2343 ( 4769 PWs) bands (ev): -6.2397 -6.2394 -4.0482 -4.0434 -3.7909 -3.7842 -3.7448 -3.7202 -2.6092 -2.5425 -2.0332 -2.0070 -1.9860 -1.9511 -1.7978 -1.7762 -1.6772 -1.5687 -1.4106 -1.3565 -1.3361 -1.3298 -1.2641 -1.2364 -1.1037 -1.1026 -0.9955 -0.9567 -0.9185 -0.8455 0.2903 0.2999 2.2035 2.2069 2.4749 2.5042 2.6199 2.6479 2.9856 3.0035 3.3945 3.4041 4.4237 4.4707 4.5935 4.6258 5.2498 5.2538 6.1685 6.1954 6.3145 6.3249 8.3142 8.3198 8.3513 8.3513 9.3071 9.3381 9.6883 9.7058 9.8840 9.9085 k = 0.0000 0.0000 0.2556 ( 4761 PWs) bands (ev): -6.2205 -6.2202 -4.0942 -4.0893 -3.7999 -3.7928 -3.7480 -3.7227 -2.5742 -2.5024 -2.0376 -2.0120 -1.9883 -1.9481 -1.8015 -1.7835 -1.6721 -1.5639 -1.4145 -1.3614 -1.3331 -1.3309 -1.2664 -1.2389 -1.1128 -1.1090 -0.9954 -0.9575 -0.9105 -0.8367 0.2889 0.2987 2.1962 2.1982 2.5199 2.5532 2.5911 2.6228 3.0218 3.0419 3.4112 3.4212 4.4565 4.5010 4.5932 4.6275 5.1522 5.1534 6.0966 6.1235 6.2995 6.3088 8.3449 8.3484 8.4036 8.4043 9.4475 9.4809 9.6829 9.6979 9.9048 9.9402 k = 0.0000 0.0000 0.2769 ( 4761 PWs) bands (ev): -6.1998 -6.1995 -4.1412 -4.1363 -3.8091 -3.8020 -3.7512 -3.7254 -2.5385 -2.4621 -2.0420 -2.0173 -1.9906 -1.9451 -1.8049 -1.7908 -1.6664 -1.5603 -1.4182 -1.3663 -1.3318 -1.3298 -1.2684 -1.2417 -1.1211 -1.1152 -0.9956 -0.9604 -0.9002 -0.8286 0.2848 0.2945 2.1902 2.1905 2.5474 2.5761 2.5870 2.6094 3.0587 3.0813 3.4397 3.4501 4.4925 4.5293 4.5742 4.6038 5.0826 5.0829 6.0215 6.0485 6.2839 6.2925 8.3759 8.3773 8.4482 8.4496 9.5791 9.6116 9.6858 9.7005 9.9298 9.9749 k = 0.0000 0.0000 0.2982 ( 4755 PWs) bands (ev): -6.1777 -6.1774 -4.1888 -4.1841 -3.8186 -3.8115 -3.7544 -3.7284 -2.5022 -2.4219 -2.0461 -2.0227 -1.9929 -1.9421 -1.8080 -1.7981 -1.6602 -1.5579 -1.4216 -1.3712 -1.3326 -1.3263 -1.2702 -1.2448 -1.1284 -1.1212 -0.9961 -0.9646 -0.8880 -0.8212 0.2778 0.2875 2.1836 2.1854 2.5026 2.5445 2.6311 2.6701 3.0963 3.1217 3.4798 3.4907 4.4994 4.5146 4.5630 4.5856 5.0484 5.0491 5.9447 5.9717 6.2674 6.2756 8.4068 8.4071 8.4856 8.4876 9.6290 9.6445 9.7670 9.7972 9.9580 10.0107 k = 0.0000 0.0000 0.3195 ( 4747 PWs) bands (ev): -6.1541 -6.1538 -4.2369 -4.2324 -3.8281 -3.8213 -3.7576 -3.7318 -2.4656 -2.3821 -2.0499 -2.0283 -1.9950 -1.9390 -1.8108 -1.8053 -1.6534 -1.5568 -1.4246 -1.3757 -1.3333 -1.3226 -1.2718 -1.2481 -1.1349 -1.1269 -0.9970 -0.9701 -0.8744 -0.8143 0.2681 0.2775 2.1767 2.1814 2.4503 2.4964 2.6933 2.7362 3.1343 3.1629 3.5306 3.5419 4.4177 4.4445 4.5881 4.6245 5.0443 5.0473 5.8674 5.8940 6.2503 6.2581 8.4368 8.4388 8.5166 8.5191 9.6185 9.6284 9.9014 9.9358 9.9882 10.0458 k = 0.0000 0.0000 0.3408 ( 4735 PWs) bands (ev): -6.1292 -6.1289 -4.2852 -4.2811 -3.8376 -3.8312 -3.7610 -3.7355 -2.4288 -2.3431 -2.0534 -2.0341 -1.9971 -1.9359 -1.8131 -1.8124 -1.6458 -1.5569 -1.4272 -1.3800 -1.3339 -1.3189 -1.2732 -1.2516 -1.1404 -1.1325 -0.9985 -0.9765 -0.8597 -0.8078 0.2556 0.2648 2.1687 2.1768 2.3960 2.4470 2.7595 2.8061 3.1726 3.2049 3.5910 3.6027 4.3178 4.3409 4.6320 4.6673 5.0597 5.0645 5.7912 5.8170 6.2324 6.2399 8.4672 8.4706 8.5418 8.5445 9.5980 9.6049 10.0169 10.0369 10.0707 10.0793 k = 0.0000 0.0000 0.3621 ( 4735 PWs) bands (ev): -6.1030 -6.1028 -4.3337 -4.3300 -3.8470 -3.8412 -3.7644 -3.7396 -2.3921 -2.3052 -2.0565 -2.0399 -1.9991 -1.9329 -1.8192 -1.8149 -1.6373 -1.5582 -1.4293 -1.3839 -1.3344 -1.3151 -1.2744 -1.2553 -1.1452 -1.1378 -1.0007 -0.9839 -0.8439 -0.8017 0.2407 0.2496 2.1568 2.1685 2.3452 2.4007 2.8277 2.8777 3.2116 3.2477 3.6597 3.6719 4.2112 4.2294 4.6782 4.7113 5.0851 5.0903 5.7181 5.7423 6.2140 6.2213 8.4976 8.5025 8.5619 8.5645 9.5728 9.5773 10.0476 10.1078 10.1586 10.1959 k = 0.0000 0.0000 0.3834 ( 4727 PWs) bands (ev): -6.0756 -6.0754 -4.3822 -4.3789 -3.8561 -3.8510 -3.7679 -3.7440 -2.3555 -2.2688 -2.0591 -2.0458 -2.0011 -1.9298 -1.8257 -1.8163 -1.6277 -1.5606 -1.4309 -1.3874 -1.3349 -1.3112 -1.2754 -1.2590 -1.1493 -1.1429 -1.0036 -0.9922 -0.8273 -0.7956 0.2234 0.2321 2.1374 2.1500 2.3063 2.3634 2.8954 2.9478 3.2517 3.2913 3.7358 3.7485 4.1049 4.1180 4.7250 4.7554 5.1134 5.1172 5.6510 5.6725 6.1953 6.2022 8.5278 8.5339 8.5774 8.5797 9.5439 9.5463 10.0745 10.1318 10.2656 10.3052 k = 0.0000 0.0000 0.4047 ( 4735 PWs) bands (ev): -6.0469 -6.0468 -4.4305 -4.4277 -3.8648 -3.8606 -3.7716 -3.7489 -2.3193 -2.2344 -2.0613 -2.0515 -2.0029 -1.9268 -1.8320 -1.8170 -1.6169 -1.5641 -1.4320 -1.3906 -1.3353 -1.3072 -1.2762 -1.2628 -1.1528 -1.1479 -1.0074 -1.0013 -0.8099 -0.7895 0.2041 0.2126 2.1071 2.1152 2.2866 2.3397 2.9589 3.0110 3.2948 3.3359 3.8184 3.8314 4.0048 4.0124 4.7711 4.7988 5.1384 5.1386 5.5946 5.6116 6.1765 6.1830 8.5572 8.5644 8.5887 8.5904 9.5117 9.5121 10.0968 10.1491 10.3534 10.3960 k = 0.0000 0.0000 0.4260 ( 4729 PWs) bands (ev): -6.0172 -6.0171 -4.4787 -4.4764 -3.8731 -3.8698 -3.7755 -3.7540 -2.2838 -2.2021 -2.0629 -2.0571 -2.0046 -1.9238 -1.8380 -1.8170 -1.6047 -1.5685 -1.4326 -1.3935 -1.3356 -1.3032 -1.2768 -1.2666 -1.1558 -1.1527 -1.0120 -1.0112 -0.7917 -0.7830 0.1830 0.1912 2.0663 2.0673 2.2843 2.3307 3.0128 3.0594 3.3432 3.3810 3.9063 3.9115 3.9175 3.9276 4.8159 4.8405 5.1474 5.1533 5.5550 5.5653 6.1578 6.1639 8.5846 8.5925 8.5961 8.5975 9.4752 9.4766 10.1128 10.1585 10.4211 10.4668 k = 0.0000 0.0000 0.4473 ( 4729 PWs) bands (ev): -5.9864 -5.9864 -4.5266 -4.5248 -3.8808 -3.8787 -3.7796 -3.7596 -2.2491 -2.1725 -2.0640 -2.0624 -2.0062 -1.9211 -1.8436 -1.8163 -1.5909 -1.5737 -1.4326 -1.3962 -1.3360 -1.2992 -1.2772 -1.2703 -1.1582 -1.1574 -1.0217 -1.0175 -0.7760 -0.7729 0.1602 0.1684 2.0137 2.0189 2.2931 2.3334 3.0497 3.0841 3.3984 3.4246 3.8463 3.8489 4.0003 4.0145 4.8587 4.8800 5.1380 5.1516 5.5376 5.5400 6.1396 6.1451 8.5983 8.5988 8.6107 8.6193 9.4360 9.4394 10.1206 10.1590 10.4689 10.5008 k = 0.0000 0.0000 0.4686 ( 4721 PWs) bands (ev): -5.9546 -5.9545 -4.5742 -4.5729 -3.8880 -3.8869 -3.7838 -3.7655 -2.2155 -2.1458 -2.0672 -2.0646 -2.0077 -1.9186 -1.8489 -1.8148 -1.5793 -1.5756 -1.4321 -1.3988 -1.3363 -1.2952 -1.2774 -1.2740 -1.1620 -1.1603 -1.0327 -1.0237 -0.7681 -0.7534 0.1360 0.1442 1.9592 1.9688 2.3088 2.3448 3.0613 3.0791 3.4566 3.4623 3.8082 3.8097 4.0981 4.1123 4.8986 4.9163 5.1106 5.1310 5.5382 5.5425 6.1220 6.1270 8.5969 8.5976 8.6311 8.6406 9.3955 9.4009 10.1186 10.1496 10.4918 10.4964 k = 0.0000 0.0000 0.4899 ( 4725 PWs) bands (ev): -5.9220 -5.9218 -4.6214 -4.6206 -3.8946 -3.8944 -3.7883 -3.7718 -2.1834 -2.1225 -2.0712 -2.0646 -2.0091 -1.9166 -1.8540 -1.8125 -1.5853 -1.5586 -1.4311 -1.4013 -1.3367 -1.2911 -1.2776 -1.2775 -1.1665 -1.1621 -1.0442 -1.0307 -0.7592 -0.7333 0.1106 0.1189 1.9064 1.9191 2.3295 2.3625 3.0420 3.0446 3.4892 3.5084 3.8076 3.8131 4.1998 4.2136 4.9351 4.9488 5.0714 5.0964 5.5557 5.5642 6.1056 6.1099 8.5904 8.5922 8.6451 8.6553 9.3554 9.3628 10.1056 10.1299 10.4880 10.4897 k = 0.0000 0.0000 0.5112 ( 4717 PWs) bands (ev): -5.8885 -5.8882 -4.6682 -4.6679 -3.9015 -3.9001 -3.7930 -3.7784 -2.1530 -2.1035 -2.0734 -2.0640 -2.0104 -1.9150 -1.8587 -1.8094 -1.5914 -1.5402 -1.4297 -1.4039 -1.3372 -1.2871 -1.2810 -1.2774 -1.1710 -1.1636 -1.0560 -1.0383 -0.7491 -0.7127 0.0842 0.0928 1.8568 1.8715 2.3545 2.3855 2.9858 2.9932 3.5064 3.5453 3.8441 3.8571 4.3045 4.3177 4.9677 4.9769 5.0281 5.0558 5.5856 5.5960 6.0905 6.0941 8.5789 8.5820 8.6499 8.6606 9.3181 9.3276 10.0813 10.0997 10.4788 10.4813 k = 0.0000 0.0000 0.5325 ( 4713 PWs) bands (ev): -5.8543 -5.8538 -4.7147 -4.7146 -3.9076 -3.9050 -3.7979 -3.7854 -2.1246 -2.0920 -2.0705 -2.0627 -2.0116 -1.9139 -1.8632 -1.8057 -1.5972 -1.5206 -1.4277 -1.4066 -1.3378 -1.2843 -1.2832 -1.2771 -1.1754 -1.1649 -1.0679 -1.0462 -0.7375 -0.6915 0.0568 0.0658 1.8113 1.8273 2.3831 2.4128 2.9103 2.9223 3.5185 3.5676 3.9097 3.9262 4.4117 4.4235 4.9869 4.9961 4.9997 5.0166 5.6223 5.6332 6.0772 6.0800 8.5620 8.5664 8.6419 8.6532 9.2867 9.2981 10.0462 10.0600 10.4701 10.4721 k = 0.0000 0.0000 0.5538 ( 4713 PWs) bands (ev): -5.8193 -5.8186 -4.7610 -4.7605 -3.9129 -3.9090 -3.8031 -3.7927 -2.0989 -2.0897 -2.0607 -2.0606 -2.0126 -1.9135 -1.8675 -1.8016 -1.6024 -1.5003 -1.4252 -1.4096 -1.3386 -1.2874 -1.2793 -1.2766 -1.1797 -1.1659 -1.0798 -1.0544 -0.7243 -0.6698 0.0286 0.0383 1.7706 1.7874 2.4151 2.4440 2.8248 2.8380 3.5268 3.5797 3.9906 4.0082 4.5205 4.5298 4.9526 4.9827 5.0184 5.0200 5.6623 5.6727 6.0658 6.0677 8.5388 8.5446 8.6184 8.6304 9.2642 9.2772 10.0020 10.0126 10.4627 10.4635 k = 0.0000 0.0000 0.5751 ( 4705 PWs) bands (ev): -5.7836 -5.7828 -4.8069 -4.8059 -3.9173 -3.9121 -3.8086 -3.8002 -2.0904 -2.0772 -2.0563 -2.0498 -2.0134 -1.9137 -1.8715 -1.7975 -1.6064 -1.4798 -1.4220 -1.4129 -1.3396 -1.2904 -1.2763 -1.2751 -1.1839 -1.1667 -1.0914 -1.0627 -0.7093 -0.6475 -0.0004 0.0103 1.7352 1.7525 2.4503 2.4789 2.7340 2.7466 3.5303 3.5839 4.0770 4.0952 4.6295 4.6348 4.9292 4.9606 5.0310 5.0402 5.7035 5.7128 6.0564 6.0576 8.5088 8.5159 8.5781 8.5909 9.2525 9.2666 9.9514 9.9598 10.4560 10.4571 k = 0.0000 0.0000 0.5964 ( 4701 PWs) bands (ev): -5.7473 -5.7464 -4.8522 -4.8509 -3.9207 -3.9144 -3.8142 -3.8080 -2.0914 -2.0645 -2.0454 -2.0405 -2.0135 -1.9145 -1.8754 -1.7941 -1.6087 -1.4599 -1.4181 -1.4167 -1.3408 -1.2932 -1.2753 -1.2716 -1.1880 -1.1672 -1.1028 -1.0709 -0.6923 -0.6246 -0.0299 -0.0180 1.7054 1.7231 2.4886 2.5170 2.6413 2.6522 3.5273 3.5805 4.1624 4.1814 4.7354 4.7372 4.9205 4.9530 5.0390 5.0584 5.7444 5.7523 6.0491 6.0496 8.4715 8.4797 8.5220 8.5355 9.2515 9.2663 9.8972 9.9042 10.4497 10.4535 k = 0.0000 0.0000 0.6177 ( 4695 PWs) bands (ev): -5.7105 -5.7094 -4.8970 -4.8954 -3.9231 -3.9157 -3.8202 -3.8161 -2.0919 -2.0594 -2.0332 -2.0311 -2.0112 -1.9156 -1.8792 -1.7920 -1.6087 -1.4417 -1.4210 -1.4128 -1.3422 -1.2959 -1.2744 -1.2681 -1.1919 -1.1674 -1.1137 -1.0789 -0.6733 -0.6012 -0.0601 -0.0467 1.6817 1.6995 2.5293 2.5485 2.5580 2.5585 3.5166 3.5689 4.2426 4.2625 4.8255 4.8395 4.9296 4.9630 5.0450 5.0795 5.7841 5.7903 6.0437 6.0438 8.4265 8.4344 8.4543 8.4672 9.2594 9.2744 9.8424 9.8485 10.4449 10.4518 k = 0.0000 0.0000 0.6390 ( 4697 PWs) bands (ev): -5.6732 -5.6719 -4.9414 -4.9394 -3.9245 -3.9161 -3.8263 -3.8243 -2.0917 -2.0561 -2.0280 -2.0238 -2.0018 -1.9168 -1.8828 -1.7919 -1.6060 -1.4273 -1.4259 -1.4045 -1.3441 -1.2983 -1.2734 -1.2649 -1.1954 -1.1672 -1.1240 -1.0865 -0.6522 -0.5771 -0.0908 -0.0755 1.6643 1.6821 2.4576 2.4638 2.5740 2.6026 3.4976 3.5487 4.3149 4.3355 4.8940 4.9250 4.9580 4.9911 5.0603 5.1137 5.8222 5.8264 6.0396 6.0402 8.3694 8.3738 8.3895 8.3895 9.2739 9.2890 9.7895 9.7948 10.4413 10.4522 k = 0.0000 0.0000 0.6603 ( 4701 PWs) bands (ev): -5.6355 -5.6340 -4.9852 -4.9830 -3.9250 -3.9156 -3.8326 -3.8326 -2.0906 -2.0530 -2.0250 -2.0226 -1.9874 -1.9180 -1.8863 -1.7941 -1.6005 -1.4314 -1.4179 -1.3925 -1.3462 -1.3006 -1.2722 -1.2620 -1.1985 -1.1666 -1.1337 -1.0937 -0.6289 -0.5525 -0.1221 -0.1045 1.6533 1.6710 2.3692 2.3730 2.6205 2.6497 3.4702 3.5200 4.3785 4.3991 4.9309 4.9663 5.0042 5.0341 5.1134 5.1706 5.8579 5.8600 6.0370 6.0379 8.2874 8.3062 8.3146 8.3296 9.2930 9.3077 9.7400 9.7446 10.4390 10.4545 k = 0.0000 0.0000 0.6816 ( 4709 PWs) bands (ev): -5.5973 -5.5956 -5.0286 -5.0262 -3.9244 -3.9142 -3.8411 -3.8391 -2.0888 -2.0501 -2.0239 -2.0230 -1.9724 -1.9189 -1.8896 -1.7989 -1.5924 -1.4378 -1.4115 -1.3792 -1.3486 -1.3028 -1.2710 -1.2595 -1.2009 -1.1654 -1.1428 -1.1006 -0.6037 -0.5273 -0.1538 -0.1337 1.6491 1.6665 2.2842 2.2855 2.6695 2.6993 3.4352 3.4834 4.4344 4.4541 4.9396 4.9652 5.0663 5.0938 5.1959 5.2442 5.8908 5.8910 6.0354 6.0365 8.2030 8.2215 8.2497 8.2655 9.3149 9.3291 9.6952 9.6988 10.4379 10.4586 k = 0.0000 0.0000 0.7028 ( 4701 PWs) bands (ev): -5.5588 -5.5569 -5.0715 -5.0690 -3.9229 -3.9121 -3.8495 -3.8457 -2.0861 -2.0473 -2.0248 -2.0239 -1.9578 -1.9193 -1.8929 -1.8059 -1.5821 -1.4449 -1.4062 -1.3669 -1.3511 -1.3048 -1.2696 -1.2577 -1.2024 -1.1636 -1.1513 -1.1071 -0.5765 -0.5015 -0.1860 -0.1628 1.6516 1.6688 2.2021 2.2031 2.7208 2.7514 3.3933 3.4399 4.4847 4.5028 4.9312 4.9479 5.1395 5.1640 5.2813 5.3213 5.9186 5.9211 6.0343 6.0358 8.1213 8.1390 8.1816 8.1978 9.3384 9.3518 9.6552 9.6578 10.4380 10.4644 k = 0.0000 0.0000 0.7241 ( 4709 PWs) bands (ev): -5.5199 -5.5178 -5.1140 -5.1113 -3.9204 -3.9091 -3.8578 -3.8524 -2.0826 -2.0446 -2.0274 -2.0250 -1.9436 -1.9190 -1.8961 -1.8148 -1.5703 -1.4529 -1.4013 -1.3591 -1.3510 -1.3069 -1.2681 -1.2566 -1.2029 -1.1612 -1.1591 -1.1132 -0.5476 -0.4752 -0.2187 -0.1920 1.6610 1.6778 2.1232 2.1266 2.7742 2.8057 3.3458 3.3908 4.5314 4.5476 4.9128 4.9232 5.2181 5.2385 5.3597 5.3931 5.9432 5.9479 6.0332 6.0352 8.0462 8.0623 8.1130 8.1290 9.3626 9.3751 9.6199 9.6213 10.4393 10.4718 k = 0.0000 0.0000 0.7454 ( 4705 PWs) bands (ev): -5.4807 -5.4785 -5.1561 -5.1533 -3.9171 -3.9054 -3.8660 -3.8592 -2.0783 -2.0420 -2.0314 -2.0263 -1.9297 -1.9182 -1.8992 -1.8252 -1.5575 -1.4617 -1.3964 -1.3604 -1.3439 -1.3090 -1.2666 -1.2562 -1.2023 -1.1663 -1.1581 -1.1191 -0.5172 -0.4483 -0.2517 -0.2212 1.6774 1.6936 2.0494 2.0549 2.8295 2.8619 3.2939 3.3373 4.5760 4.5903 4.8879 4.8935 5.2967 5.3122 5.4262 5.4539 5.9644 5.9711 6.0318 6.0346 7.9816 7.9953 8.0470 8.0622 9.3869 9.3983 9.5887 9.5887 10.4418 10.4805 k = 0.0000 0.0000 0.7667 ( 4707 PWs) bands (ev): -5.4412 -5.4388 -5.1978 -5.1950 -3.9129 -3.9011 -3.8740 -3.8659 -2.0733 -2.0395 -2.0366 -2.0278 -1.9169 -1.9159 -1.9022 -1.8368 -1.5442 -1.4714 -1.3915 -1.3640 -1.3363 -1.3113 -1.2650 -1.2565 -1.2005 -1.1730 -1.1544 -1.1248 -0.4856 -0.4210 -0.2851 -0.2503 1.7007 1.7162 1.9810 1.9885 2.8863 2.9198 3.2387 3.2805 4.6195 4.6318 4.8583 4.8602 5.3702 5.3806 5.4771 5.4994 5.9823 5.9905 6.0297 6.0337 7.9310 7.9413 7.9875 8.0010 9.4110 9.4213 9.5593 9.5608 10.4455 10.4888 k = 0.0000 0.0000 0.7880 ( 4713 PWs) bands (ev): -5.4014 -5.3989 -5.2392 -5.2364 -3.9079 -3.8962 -3.8817 -3.8724 -2.0677 -2.0424 -2.0372 -2.0294 -1.9151 -1.9052 -1.9023 -1.8491 -1.5309 -1.4819 -1.3867 -1.3681 -1.3299 -1.3138 -1.2633 -1.2574 -1.1977 -1.1791 -1.1502 -1.1303 -0.4531 -0.3933 -0.3188 -0.2793 1.7309 1.7455 1.9184 1.9277 2.9444 2.9791 3.1813 3.2215 4.6623 4.6726 4.8240 4.8252 5.4344 5.4392 5.5094 5.5265 5.9967 6.0058 6.0266 6.0322 7.8973 7.9034 7.9381 7.9489 9.4350 9.4440 9.5323 9.5353 10.4502 10.4794 k = 0.0000 0.0000 0.8093 ( 4716 PWs) bands (ev): -5.3613 -5.3586 -5.2802 -5.2774 -3.9022 -3.8908 -3.8891 -3.8789 -2.0616 -2.0487 -2.0350 -2.0311 -1.9130 -1.9079 -1.8887 -1.8620 -1.5178 -1.4932 -1.3819 -1.3726 -1.3246 -1.3168 -1.2617 -1.2586 -1.1941 -1.1847 -1.1456 -1.1356 -0.4199 -0.3652 -0.3526 -0.3082 1.7679 1.7815 1.8618 1.8728 3.0034 3.0394 3.1225 3.1612 4.7044 4.7126 4.7857 4.7894 5.4843 5.4852 5.5213 5.5331 6.0079 6.0172 6.0223 6.0295 7.8824 7.8840 7.9026 7.9098 9.4587 9.4664 9.5070 9.5115 10.4561 10.4707 k = 0.0000 0.0000 0.8306 ( 4724 PWs) bands (ev): -5.3209 -5.3209 -5.3182 -5.3182 -3.8959 -3.8959 -3.8850 -3.8850 -2.0552 -2.0552 -2.0330 -2.0330 -1.9106 -1.9106 -1.8752 -1.8752 -1.5052 -1.5052 -1.3772 -1.3772 -1.3203 -1.3203 -1.2601 -1.2601 -1.1897 -1.1897 -1.1407 -1.1407 -0.3864 -0.3864 -0.3368 -0.3368 1.8116 1.8116 1.8240 1.8240 3.0630 3.0630 3.1003 3.1003 4.7457 4.7457 4.7517 4.7517 5.5125 5.5125 5.5189 5.5189 6.0163 6.0163 6.0248 6.0248 7.8839 7.8839 7.8869 7.8869 9.4826 9.4826 9.4887 9.4887 10.4629 10.4629 k = 0.0000 0.0000 0.8306 ( 4724 PWs) bands (ev): -5.3209 -5.3209 -5.3182 -5.3182 -3.8959 -3.8959 -3.8850 -3.8850 -2.0552 -2.0552 -2.0330 -2.0330 -1.9106 -1.9106 -1.8752 -1.8752 -1.5052 -1.5052 -1.3772 -1.3772 -1.3203 -1.3203 -1.2601 -1.2601 -1.1897 -1.1897 -1.1407 -1.1407 -0.3864 -0.3864 -0.3368 -0.3368 1.8116 1.8116 1.8240 1.8240 3.0630 3.0630 3.1003 3.1003 4.7457 4.7457 4.7517 4.7517 5.5125 5.5125 5.5189 5.5189 6.0163 6.0163 6.0248 6.0248 7.8839 7.8839 7.8869 7.8869 9.4826 9.4826 9.4887 9.4887 10.4629 10.4629 k =-0.0129 0.0171 0.8306 ( 4716 PWs) bands (ev): -5.3210 -5.3210 -5.3182 -5.3182 -3.8961 -3.8961 -3.8851 -3.8851 -2.0557 -2.0557 -2.0329 -2.0329 -1.9131 -1.9131 -1.8734 -1.8734 -1.5058 -1.5058 -1.3771 -1.3771 -1.3209 -1.3209 -1.2594 -1.2594 -1.1907 -1.1907 -1.1405 -1.1405 -0.3832 -0.3832 -0.3337 -0.3337 1.8120 1.8120 1.8246 1.8246 3.0632 3.0632 3.1006 3.1006 4.7412 4.7412 4.7481 4.7481 5.5117 5.5117 5.5182 5.5182 6.0132 6.0132 6.0222 6.0222 7.8865 7.8865 7.8903 7.8903 9.4889 9.4889 9.4959 9.4959 10.4608 10.4608 k =-0.0258 0.0343 0.8306 ( 4714 PWs) bands (ev): -5.3212 -5.3212 -5.3184 -5.3184 -3.8968 -3.8968 -3.8856 -3.8856 -2.0572 -2.0572 -2.0326 -2.0326 -1.9195 -1.9195 -1.8693 -1.8693 -1.5074 -1.5074 -1.3769 -1.3769 -1.3225 -1.3225 -1.2576 -1.2576 -1.1936 -1.1936 -1.1398 -1.1398 -0.3740 -0.3740 -0.3246 -0.3246 1.8134 1.8134 1.8262 1.8262 3.0640 3.0640 3.1014 3.1014 4.7282 4.7282 4.7372 4.7372 5.5093 5.5093 5.5159 5.5159 6.0040 6.0040 6.0143 6.0143 7.8946 7.8946 7.9003 7.9003 9.5078 9.5078 9.5166 9.5166 10.4544 10.4544 k =-0.0387 0.0514 0.8306 ( 4708 PWs) bands (ev): -5.3215 -5.3215 -5.3187 -5.3187 -3.8979 -3.8979 -3.8862 -3.8862 -2.0595 -2.0595 -2.0324 -2.0324 -1.9278 -1.9278 -1.8646 -1.8646 -1.5099 -1.5099 -1.3766 -1.3766 -1.3248 -1.3248 -1.2549 -1.2549 -1.1979 -1.1979 -1.1389 -1.1389 -0.3588 -0.3588 -0.3098 -0.3098 1.8157 1.8157 1.8290 1.8290 3.0652 3.0652 3.1027 3.1027 4.7075 4.7075 4.7191 4.7191 5.5054 5.5054 5.5120 5.5120 5.9892 5.9892 6.0012 6.0012 7.9087 7.9087 7.9164 7.9164 9.5385 9.5385 9.5494 9.5494 10.4429 10.4429 k =-0.0517 0.0685 0.8306 ( 4704 PWs) bands (ev): -5.3221 -5.3221 -5.3192 -5.3192 -3.8994 -3.8994 -3.8872 -3.8872 -2.0626 -2.0626 -2.0324 -2.0324 -1.9367 -1.9367 -1.8605 -1.8605 -1.5131 -1.5131 -1.3764 -1.3764 -1.3273 -1.3273 -1.2517 -1.2517 -1.2031 -1.2031 -1.1383 -1.1383 -0.3383 -0.3383 -0.2897 -0.2897 1.8190 1.8190 1.8329 1.8329 3.0669 3.0669 3.1045 3.1045 4.6796 4.6796 4.6942 4.6942 5.4999 5.4999 5.5067 5.5067 5.9692 5.9692 5.9832 5.9832 7.9287 7.9287 7.9385 7.9385 9.5795 9.5795 9.5921 9.5921 10.4254 10.4254 k =-0.0646 0.0857 0.8306 ( 4702 PWs) bands (ev): -5.3228 -5.3228 -5.3199 -5.3199 -3.9010 -3.9010 -3.8883 -3.8883 -2.0662 -2.0662 -2.0328 -2.0328 -1.9455 -1.9455 -1.8574 -1.8574 -1.5166 -1.5166 -1.3763 -1.3763 -1.3297 -1.3297 -1.2483 -1.2483 -1.2088 -1.2088 -1.1380 -1.1380 -0.3129 -0.3129 -0.2650 -0.2650 1.8234 1.8234 1.8381 1.8381 3.0690 3.0690 3.1068 3.1068 4.6456 4.6456 4.6630 4.6630 5.4928 5.4928 5.5000 5.5000 5.9447 5.9447 5.9608 5.9608 7.9545 7.9545 7.9662 7.9662 9.6282 9.6282 9.6422 9.6422 10.4009 10.4009 k =-0.0775 0.1028 0.8306 ( 4698 PWs) bands (ev): -5.3238 -5.3238 -5.3209 -5.3209 -3.9028 -3.9028 -3.8895 -3.8895 -2.0704 -2.0704 -2.0339 -2.0339 -1.9537 -1.9537 -1.8554 -1.8554 -1.5202 -1.5202 -1.3764 -1.3764 -1.3317 -1.3317 -1.2449 -1.2449 -1.2145 -1.2145 -1.1381 -1.1381 -0.2834 -0.2834 -0.2362 -0.2362 1.8289 1.8289 1.8445 1.8445 3.0714 3.0714 3.1094 3.1094 4.6063 4.6063 4.6267 4.6267 5.4842 5.4842 5.4919 5.4919 5.9163 5.9163 5.9346 5.9346 7.9860 7.9860 7.9994 7.9994 9.6813 9.6813 9.6966 9.6966 10.3692 10.3692 k =-0.0904 0.1199 0.8306 ( 4702 PWs) bands (ev): -5.3250 -5.3250 -5.3220 -5.3220 -3.9045 -3.9045 -3.8908 -3.8908 -2.0750 -2.0750 -2.0359 -2.0359 -1.9609 -1.9609 -1.8545 -1.8545 -1.5237 -1.5237 -1.3769 -1.3769 -1.3330 -1.3330 -1.2420 -1.2420 -1.2198 -1.2198 -1.1386 -1.1386 -0.2506 -0.2506 -0.2043 -0.2043 1.8358 1.8358 1.8523 1.8523 3.0741 3.0741 3.1123 3.1123 4.5627 4.5627 4.5860 4.5860 5.4739 5.4739 5.4824 5.4824 5.8847 5.8847 5.9054 5.9054 8.0227 8.0227 8.0375 8.0375 9.7347 9.7347 9.7515 9.7515 10.3306 10.3306 k =-0.1033 0.1371 0.8306 ( 4708 PWs) bands (ev): -5.3266 -5.3266 -5.3236 -5.3235 -3.9062 -3.9062 -3.8921 -3.8921 -2.0799 -2.0799 -2.0388 -2.0388 -1.9667 -1.9667 -1.8548 -1.8548 -1.5267 -1.5267 -1.3777 -1.3777 -1.3337 -1.3337 -1.2402 -1.2402 -1.2241 -1.2241 -1.1395 -1.1395 -0.2153 -0.2153 -0.1699 -0.1699 1.8442 1.8442 1.8615 1.8615 3.0771 3.0771 3.1155 3.1155 4.5161 4.5161 4.5420 4.5420 5.4620 5.4620 5.4716 5.4716 5.8506 5.8506 5.8738 5.8738 8.0639 8.0639 8.0799 8.0799 9.7836 9.7836 9.8028 9.8028 10.2866 10.2866 k =-0.1162 0.1542 0.8306 ( 4720 PWs) bands (ev): -5.3285 -5.3285 -5.3254 -5.3254 -3.9075 -3.9075 -3.8932 -3.8932 -2.0850 -2.0850 -2.0426 -2.0426 -1.9711 -1.9711 -1.8559 -1.8559 -1.5292 -1.5292 -1.3790 -1.3790 -1.3336 -1.3336 -1.2406 -1.2406 -1.2262 -1.2262 -1.1405 -1.1405 -0.1786 -0.1786 -0.1340 -0.1340 1.8542 1.8542 1.8724 1.8724 3.0801 3.0801 3.1188 3.1188 4.4675 4.4675 4.4959 4.4959 5.4484 5.4484 5.4596 5.4596 5.8148 5.8148 5.8409 5.8409 8.1091 8.1091 8.1260 8.1260 9.8229 9.8229 9.8455 9.8455 10.2395 10.2395 k =-0.1291 0.1713 0.8306 ( 4728 PWs) bands (ev): -5.3307 -5.3307 -5.3277 -5.3277 -3.9084 -3.9084 -3.8940 -3.8940 -2.0903 -2.0903 -2.0472 -2.0472 -1.9741 -1.9741 -1.8577 -1.8577 -1.5312 -1.5312 -1.3806 -1.3806 -1.3328 -1.3328 -1.2433 -1.2433 -1.2258 -1.2258 -1.1417 -1.1417 -0.1412 -0.1412 -0.0975 -0.0975 1.8661 1.8661 1.8851 1.8851 3.0832 3.0832 3.1221 3.1221 4.4179 4.4179 4.4486 4.4486 5.4332 5.4332 5.4463 5.4463 5.7782 5.7782 5.8073 5.8073 8.1572 8.1572 8.1748 8.1748 9.8474 9.8474 9.8741 9.8741 10.1925 10.1925 k =-0.1421 0.1885 0.8306 ( 4726 PWs) bands (ev): -5.3334 -5.3334 -5.3303 -5.3303 -3.9089 -3.9088 -3.8945 -3.8945 -2.0956 -2.0956 -2.0524 -2.0524 -1.9759 -1.9759 -1.8599 -1.8599 -1.5326 -1.5326 -1.3825 -1.3825 -1.3314 -1.3314 -1.2472 -1.2472 -1.2242 -1.2242 -1.1429 -1.1429 -0.1043 -0.1043 -0.0612 -0.0612 1.8802 1.8802 1.8999 1.8999 3.0861 3.0861 3.1253 3.1253 4.3686 4.3686 4.4012 4.4012 5.4162 5.4162 5.4316 5.4316 5.7414 5.7414 5.7738 5.7738 8.2075 8.2075 8.2254 8.2254 9.8530 9.8530 9.8833 9.8833 10.1488 10.1488 k =-0.1421 0.1885 0.8306 ( 4726 PWs) bands (ev): -5.3334 -5.3334 -5.3303 -5.3303 -3.9089 -3.9088 -3.8945 -3.8945 -2.0956 -2.0956 -2.0524 -2.0524 -1.9759 -1.9759 -1.8599 -1.8599 -1.5326 -1.5326 -1.3825 -1.3825 -1.3314 -1.3314 -1.2472 -1.2472 -1.2242 -1.2242 -1.1429 -1.1429 -0.1043 -0.1043 -0.0612 -0.0612 1.8802 1.8802 1.8999 1.8999 3.0861 3.0861 3.1253 3.1253 4.3686 4.3686 4.4012 4.4012 5.4162 5.4162 5.4316 5.4316 5.7414 5.7414 5.7738 5.7738 8.2075 8.2075 8.2254 8.2254 9.8530 9.8530 9.8833 9.8833 10.1488 10.1488 k =-0.1510 0.2003 0.8158 ( 4722 PWs) bands (ev): -5.3586 -5.3562 -5.3117 -5.3093 -3.9143 -3.9076 -3.8951 -3.8892 -2.1022 -2.0964 -2.0575 -2.0549 -1.9790 -1.9739 -1.8666 -1.8563 -1.5371 -1.5294 -1.3871 -1.3807 -1.3322 -1.3283 -1.2532 -1.2466 -1.2236 -1.2219 -1.1457 -1.1414 -0.1088 -0.0840 -0.0305 -0.0090 1.8728 1.8929 1.9128 1.9330 3.0528 3.0908 3.1233 3.1631 4.3160 4.3416 4.3624 4.3866 5.3741 5.3830 5.4292 5.4382 5.6930 5.7087 5.7611 5.7822 8.2408 8.2500 8.2593 8.2675 9.8310 9.8415 9.8803 9.8866 10.1037 10.1085 k =-0.1600 0.2122 0.8009 ( 4722 PWs) bands (ev): -5.3830 -5.3807 -5.2915 -5.2893 -3.9206 -3.9124 -3.8889 -3.8823 -2.1090 -2.0974 -2.0625 -2.0579 -1.9818 -1.9712 -1.8731 -1.8525 -1.5410 -1.5266 -1.3918 -1.3791 -1.3329 -1.3254 -1.2588 -1.2459 -1.2226 -1.2197 -1.1478 -1.1395 -0.1205 -0.0927 0.0269 0.0482 1.8725 1.8928 1.9466 1.9673 3.0206 3.0578 3.1574 3.1983 4.2645 4.2945 4.3444 4.3714 5.3186 5.3268 5.4246 5.4306 5.6493 5.6626 5.7756 5.8007 8.2798 8.2956 8.2989 8.3125 9.7833 9.8021 9.8791 9.8937 10.0592 10.0796 k =-0.1689 0.2241 0.7860 ( 4721 PWs) bands (ev): -5.4064 -5.4042 -5.2726 -5.2705 -3.9270 -3.9187 -3.8802 -3.8745 -2.1158 -2.0988 -2.0668 -2.0614 -1.9843 -1.9680 -1.8792 -1.8484 -1.5444 -1.5242 -1.3965 -1.3778 -1.3335 -1.3227 -1.2641 -1.2451 -1.2218 -1.2169 -1.1494 -1.1370 -0.1364 -0.1075 0.0876 0.1073 1.8793 1.8996 1.9812 2.0024 2.9896 3.0260 3.1883 3.2303 4.2155 4.2471 4.3277 4.3548 5.2555 5.2624 5.3993 5.4012 5.6203 5.6307 5.7961 5.8237 8.3224 8.3412 8.3434 8.3594 9.7179 9.7430 9.8772 9.9014 10.0227 10.0568 k =-0.1779 0.2359 0.7712 ( 4725 PWs) bands (ev): -5.4287 -5.4266 -5.2550 -5.2531 -3.9334 -3.9253 -3.8706 -3.8658 -2.1226 -2.1008 -2.0703 -2.0652 -1.9864 -1.9646 -1.8848 -1.8439 -1.5474 -1.5220 -1.4010 -1.3767 -1.3340 -1.3202 -1.2689 -1.2442 -1.2214 -1.2130 -1.1503 -1.1339 -0.1560 -0.1264 0.1492 0.1671 1.8929 1.9132 2.0166 2.0383 2.9599 2.9955 3.2155 3.2583 4.1694 4.2022 4.3102 4.3367 5.1879 5.1932 5.3476 5.3550 5.6056 5.6182 5.8196 5.8491 8.3660 8.3839 8.3921 8.4082 9.6438 9.6730 9.8732 9.9061 9.9939 10.0355 k =-0.1868 0.2478 0.7563 ( 4719 PWs) bands (ev): -5.4499 -5.4478 -5.2387 -5.2370 -3.9397 -3.9318 -3.8603 -3.8564 -2.1294 -2.1034 -2.0728 -2.0690 -1.9883 -1.9613 -1.8900 -1.8386 -1.5501 -1.5201 -1.4054 -1.3760 -1.3344 -1.3179 -1.2734 -1.2433 -1.2215 -1.2077 -1.1507 -1.1300 -0.1789 -0.1487 0.2111 0.2274 1.9131 1.9333 2.0525 2.0746 2.9317 2.9663 3.2382 3.2818 4.1267 4.1601 4.2914 4.3167 5.1181 5.1217 5.2826 5.2940 5.6012 5.6175 5.8447 5.8759 8.4067 8.4222 8.4429 8.4594 9.5673 9.5990 9.8649 9.8989 9.9806 10.0184 k =-0.1957 0.2597 0.7414 ( 4721 PWs) bands (ev): -5.4698 -5.4679 -5.2237 -5.2223 -3.9458 -3.9383 -3.8499 -3.8462 -2.1361 -2.1065 -2.0757 -2.0716 -1.9898 -1.9584 -1.8947 -1.8324 -1.5525 -1.5184 -1.4094 -1.3755 -1.3348 -1.3160 -1.2774 -1.2425 -1.2222 -1.2009 -1.1505 -1.1252 -0.2048 -0.1744 0.2727 0.2875 1.9395 1.9594 2.0888 2.1112 2.9050 2.9386 3.2563 3.3005 4.0872 4.1211 4.2709 4.2948 5.0479 5.0499 5.2122 5.2258 5.6023 5.6213 5.8706 5.9033 8.4408 8.4531 8.4958 8.5127 9.4927 9.5258 9.8487 9.8742 9.9893 10.0109 k =-0.2047 0.2716 0.7266 ( 4725 PWs) bands (ev): -5.4886 -5.4867 -5.2101 -5.2089 -3.9517 -3.9446 -3.8396 -3.8351 -2.1427 -2.1100 -2.0799 -2.0720 -1.9912 -1.9561 -1.8988 -1.8252 -1.5549 -1.5170 -1.4132 -1.3753 -1.3352 -1.3144 -1.2810 -1.2420 -1.2232 -1.1927 -1.1499 -1.1194 -0.2332 -0.2029 0.3336 0.3471 1.9713 1.9910 2.1252 2.1479 2.8798 2.9123 3.2696 3.3141 4.0505 4.0846 4.2484 4.2706 4.9784 4.9799 5.1412 5.1558 5.6054 5.6265 5.8969 5.9310 8.4657 8.4746 8.5502 8.5669 9.4231 9.4567 9.8228 9.8417 10.0117 10.0171 k =-0.2136 0.2834 0.7117 ( 4721 PWs) bands (ev): -5.5060 -5.5043 -5.1977 -5.1968 -3.9574 -3.9507 -3.8295 -3.8234 -2.1491 -2.1135 -2.0845 -2.0712 -1.9924 -1.9545 -1.9024 -1.8168 -1.5574 -1.5159 -1.4166 -1.3754 -1.3356 -1.3132 -1.2841 -1.2416 -1.2245 -1.1833 -1.1486 -1.1126 -0.2638 -0.2338 0.3932 0.4056 2.0080 2.0274 2.1616 2.1844 2.8562 2.8874 3.2782 3.3228 4.0158 4.0499 4.2234 4.2440 4.9103 4.9139 5.0726 5.0876 5.6090 5.6316 5.9234 5.9586 8.4796 8.4853 8.6049 8.6211 9.3609 9.3942 9.7893 9.8075 10.0329 10.0468 k =-0.2226 0.2953 0.6968 ( 4726 PWs) bands (ev): -5.5222 -5.5206 -5.1866 -5.1860 -3.9627 -3.9565 -3.8195 -3.8116 -2.1551 -2.1169 -2.0891 -2.0697 -1.9935 -1.9535 -1.9055 -1.8073 -1.5599 -1.5149 -1.4195 -1.3757 -1.3359 -1.3125 -1.2866 -1.2414 -1.2259 -1.1735 -1.1461 -1.1047 -0.2960 -0.2667 0.4511 0.4625 2.0487 2.0678 2.1980 2.2206 2.8342 2.8640 3.2827 3.3273 3.9818 4.0155 4.1954 4.2150 4.8458 4.8523 5.0089 5.0238 5.6123 5.6360 5.9496 5.9859 8.4809 8.4849 8.6588 8.6741 9.3076 9.3397 9.7527 9.7732 10.0616 10.0880 k =-0.2315 0.3072 0.6820 ( 4728 PWs) bands (ev): -5.5371 -5.5356 -5.1768 -5.1764 -3.9677 -3.9620 -3.8098 -3.7998 -2.1608 -2.1202 -2.0937 -2.0679 -1.9944 -1.9531 -1.9082 -1.7968 -1.5626 -1.5141 -1.4222 -1.3762 -1.3364 -1.3121 -1.2886 -1.2414 -1.2275 -1.1650 -1.1408 -1.0958 -0.3291 -0.3011 0.5068 0.5174 2.0924 2.1112 2.2341 2.2563 2.8137 2.8420 3.2841 3.3284 3.9470 3.9799 4.1643 4.1837 4.7862 4.7961 4.9519 4.9662 5.6149 5.6394 5.9755 6.0125 8.4691 8.4740 8.7110 8.7250 9.2637 9.2939 9.7161 9.7392 10.0994 10.1367 k =-0.2405 0.3190 0.6671 ( 4728 PWs) bands (ev): -5.5507 -5.5493 -5.1682 -5.1678 -3.9724 -3.9671 -3.8005 -3.7884 -2.1661 -2.1232 -2.0981 -2.0657 -1.9952 -1.9532 -1.9106 -1.7853 -1.5656 -1.5136 -1.4244 -1.3769 -1.3369 -1.3122 -1.2901 -1.2414 -1.2290 -1.1597 -1.1313 -1.0857 -0.3626 -0.3364 0.5598 0.5696 2.1380 2.1566 2.2701 2.2914 2.7948 2.8213 3.2836 3.3275 3.9097 3.9411 4.1306 4.1506 4.7326 4.7461 4.9027 4.9163 5.6167 5.6419 6.0006 6.0384 8.4465 8.4532 8.7606 8.7733 9.2287 9.2565 9.6810 9.7065 10.1453 10.1920 k =-0.2494 0.3309 0.6522 ( 4730 PWs) bands (ev): -5.5628 -5.5616 -5.1608 -5.1603 -3.9766 -3.9718 -3.7917 -3.7775 -2.1709 -2.1260 -2.1022 -2.0634 -1.9960 -1.9536 -1.9128 -1.7731 -1.5689 -1.5132 -1.4262 -1.3778 -1.3375 -1.3125 -1.2911 -1.2414 -1.2306 -1.1570 -1.1187 -1.0744 -0.3959 -0.3718 0.6093 0.6186 2.1842 2.2027 2.3058 2.3257 2.7775 2.8021 3.2826 3.3258 3.8688 3.8974 4.0956 4.1161 4.6856 4.7028 4.8621 4.8745 5.6178 5.6435 6.0249 6.0631 8.4159 8.4244 8.8069 8.8183 9.2013 9.2265 9.6485 9.6760 10.1978 10.2528 k =-0.2584 0.3428 0.6374 ( 4732 PWs) bands (ev): -5.5736 -5.5725 -5.1545 -5.1537 -3.9804 -3.9760 -3.7836 -3.7674 -2.1752 -2.1284 -2.1060 -2.0611 -1.9966 -1.9543 -1.9147 -1.7605 -1.5726 -1.5129 -1.4277 -1.3788 -1.3382 -1.3130 -1.2918 -1.2414 -1.2320 -1.1555 -1.1048 -1.0619 -0.4282 -0.4068 0.6549 0.6637 2.2295 2.2480 2.3410 2.3589 2.7617 2.7842 3.2826 3.3249 3.8234 3.8479 4.0607 4.0811 4.6456 4.6664 4.8299 4.8410 5.6182 5.6443 6.0478 6.0863 8.3808 8.3903 8.8493 8.8595 9.1799 9.2022 9.6189 9.6481 10.2555 10.3178 k =-0.2673 0.3546 0.6225 ( 4732 PWs) bands (ev): -5.5830 -5.5819 -5.1491 -5.1482 -3.9837 -3.9798 -3.7762 -3.7581 -2.1790 -2.1306 -2.1093 -2.0588 -1.9972 -1.9550 -1.9164 -1.7479 -1.5765 -1.5128 -1.4289 -1.3798 -1.3390 -1.3135 -1.2923 -1.2413 -1.2333 -1.1546 -1.0910 -1.0481 -0.4590 -0.4404 0.6960 0.7045 2.2726 2.2912 2.3754 2.3905 2.7476 2.7680 3.2853 3.3263 3.7735 3.7928 4.0275 4.0467 4.6125 4.6366 4.8056 4.8152 5.6181 5.6445 6.0690 6.1077 8.3441 8.3539 8.8873 8.8965 9.1629 9.1825 9.5928 9.6233 10.3164 10.3852 k =-0.2763 0.3665 0.6076 ( 4731 PWs) bands (ev): -5.5909 -5.5900 -5.1447 -5.1436 -3.9865 -3.9831 -3.7698 -3.7500 -2.1822 -2.1324 -2.1123 -2.0567 -1.9977 -1.9556 -1.9180 -1.7356 -1.5808 -1.5127 -1.4298 -1.3808 -1.3398 -1.3140 -1.2926 -1.2413 -1.2346 -1.1540 -1.0782 -1.0334 -0.4877 -0.4716 0.7320 0.7402 2.3119 2.3310 2.4081 2.4196 2.7354 2.7537 3.2923 3.3315 3.7200 3.7332 3.9972 4.0146 4.5860 4.6127 4.7881 4.7961 5.6176 5.6442 6.0881 6.1268 8.3086 8.3181 8.9205 8.9290 9.1491 9.1661 9.5703 9.6019 10.3784 10.4527 k =-0.2852 0.3784 0.5928 ( 4739 PWs) bands (ev): -5.5975 -5.5966 -5.1412 -5.1399 -3.9889 -3.9858 -3.7643 -3.7431 -2.1849 -2.1339 -2.1147 -2.0549 -1.9981 -1.9563 -1.9193 -1.7241 -1.5851 -1.5126 -1.4305 -1.3818 -1.3406 -1.3143 -1.2927 -1.2411 -1.2357 -1.1536 -1.0670 -1.0186 -0.5138 -0.4991 0.7622 0.7703 2.3465 2.3660 2.4373 2.4448 2.7254 2.7416 3.3052 3.3420 3.6642 3.6709 3.9708 3.9860 4.5655 4.5944 4.7760 4.7824 5.6170 5.6437 6.1046 6.1432 8.2767 8.2852 8.9488 8.9567 9.1379 9.1523 9.5516 9.5841 10.4384 10.5172 k =-0.2942 0.3903 0.5779 ( 4745 PWs) bands (ev): -5.6026 -5.6018 -5.1385 -5.1371 -3.9907 -3.9880 -3.7600 -3.7377 -2.1869 -2.1351 -2.1167 -2.0534 -1.9984 -1.9568 -1.9204 -1.7139 -1.5893 -1.5126 -1.4309 -1.3827 -1.3412 -1.3146 -1.2928 -1.2409 -1.2367 -1.1533 -1.0577 -1.0047 -0.5365 -0.5214 0.7863 0.7944 2.3756 2.3956 2.4611 2.4648 2.7182 2.7321 3.3252 3.3588 3.6079 3.6081 3.9492 3.9622 4.5504 4.5808 4.7683 4.7731 5.6163 5.6431 6.1180 6.1565 8.2503 8.2573 8.9719 8.9790 9.1291 9.1408 9.5370 9.5700 10.4929 10.5751 k =-0.3031 0.4021 0.5631 ( 4741 PWs) bands (ev): -5.6062 -5.6055 -5.1366 -5.1351 -3.9919 -3.9896 -3.7569 -3.7337 -2.1884 -2.1359 -2.1181 -2.0522 -1.9987 -1.9572 -1.9212 -1.7058 -1.5930 -1.5127 -1.4312 -1.3833 -1.3418 -1.3148 -1.2929 -1.2406 -1.2375 -1.1531 -1.0507 -0.9932 -0.5545 -0.5379 0.8039 0.8119 2.3982 2.4186 2.4773 2.4788 2.7140 2.7251 3.3532 3.3827 3.5471 3.5533 3.9331 3.9444 4.5400 4.5715 4.7638 4.7670 5.6157 5.6426 6.1280 6.1663 8.2308 8.2359 8.9894 8.9955 9.1227 9.1314 9.5264 9.5599 10.5374 10.6219 k =-0.3121 0.4140 0.5482 ( 4744 PWs) bands (ev): -5.6084 -5.6077 -5.1355 -5.1339 -3.9927 -3.9906 -3.7550 -3.7312 -2.1893 -2.1365 -2.1189 -2.0515 -1.9988 -1.9574 -1.9217 -1.7006 -1.5955 -1.5127 -1.4314 -1.3838 -1.3421 -1.3149 -1.2929 -1.2403 -1.2382 -1.1530 -1.0464 -0.9855 -0.5662 -0.5479 0.8145 0.8225 2.4131 2.4336 2.4856 2.4869 2.7127 2.7206 3.3890 3.4139 3.4904 3.5028 3.9232 3.9334 4.5339 4.5660 4.7617 4.7634 5.6152 5.6422 6.1341 6.1723 8.2190 8.2222 9.0006 9.0056 9.1193 9.1246 9.5200 9.5537 10.5669 10.6530 k =-0.3210 0.4259 0.5333 ( 4742 PWs) bands (ev): -5.6091 -5.6084 -5.1351 -5.1335 -3.9929 -3.9909 -3.7544 -3.7304 -2.1896 -2.1366 -2.1192 -2.0513 -1.9988 -1.9575 -1.9219 -1.6987 -1.5964 -1.5127 -1.4315 -1.3839 -1.3423 -1.3150 -1.2930 -1.2401 -1.2384 -1.1530 -1.0449 -0.9828 -0.5702 -0.5513 0.8181 0.8261 2.4184 2.4390 2.4883 2.4892 2.7128 2.7187 3.4217 3.4436 3.4499 3.4672 3.9198 3.9296 4.5319 4.5642 4.7613 4.7621 5.6151 5.6421 6.1362 6.1744 8.2153 8.2173 9.0046 9.0089 9.1186 9.1217 9.5179 9.5517 10.5773 10.6640 k =-0.3210 0.4259 0.5333 ( 4742 PWs) bands (ev): -5.6091 -5.6084 -5.1351 -5.1335 -3.9929 -3.9909 -3.7544 -3.7304 -2.1896 -2.1366 -2.1192 -2.0513 -1.9988 -1.9575 -1.9219 -1.6987 -1.5964 -1.5127 -1.4315 -1.3839 -1.3423 -1.3150 -1.2930 -1.2401 -1.2384 -1.1530 -1.0449 -0.9828 -0.5702 -0.5513 0.8181 0.8261 2.4184 2.4390 2.4883 2.4892 2.7128 2.7187 3.4217 3.4436 3.4499 3.4672 3.9198 3.9296 4.5319 4.5642 4.7613 4.7621 5.6151 5.6421 6.1362 6.1744 8.2153 8.2173 9.0046 9.0089 9.1186 9.1217 9.5179 9.5517 10.5773 10.6640 k =-0.3121 0.4140 0.5185 ( 4735 PWs) bands (ev): -5.6287 -5.6282 -5.1014 -5.0997 -4.0001 -3.9990 -3.7547 -3.7305 -2.1905 -2.1383 -2.1252 -2.0460 -2.0013 -1.9610 -1.9238 -1.6940 -1.6054 -1.5124 -1.4340 -1.3902 -1.3406 -1.3162 -1.2933 -1.2409 -1.2394 -1.1524 -1.0377 -0.9731 -0.5921 -0.5640 0.8495 0.8597 2.4118 2.4322 2.5209 2.5209 2.6879 2.6935 3.3844 3.4041 3.4499 3.4687 3.8492 3.8600 4.5514 4.5868 4.7343 4.7373 5.6422 5.6673 6.1541 6.1891 8.2371 8.2393 9.0211 9.0262 9.1282 9.1360 9.5897 9.6248 10.6767 10.7595 k =-0.3032 0.4022 0.5037 ( 4743 PWs) bands (ev): -5.6499 -5.6495 -5.0663 -5.0645 -4.0053 -4.0052 -3.7548 -3.7306 -2.1909 -2.1390 -2.1322 -2.0409 -2.0032 -1.9642 -1.9246 -1.6896 -1.6156 -1.5119 -1.4367 -1.3971 -1.3388 -1.3167 -1.2935 -1.2437 -1.2385 -1.1517 -1.0306 -0.9639 -0.6144 -0.5764 0.8715 0.8833 2.4058 2.4267 2.5645 2.5660 2.6644 2.6692 3.3469 3.3668 3.4486 3.4665 3.7783 3.7901 4.5659 4.6049 4.7201 4.7272 5.6635 5.6862 6.1668 6.1983 8.2579 8.2601 9.0370 9.0424 9.1386 9.1502 9.6593 9.6957 10.7814 10.8596 k =-0.2943 0.3904 0.4889 ( 4749 PWs) bands (ev): -5.6725 -5.6723 -5.0300 -5.0280 -4.0092 -4.0084 -3.7549 -3.7306 -2.1909 -2.1404 -2.1385 -2.0364 -2.0047 -1.9670 -1.9242 -1.6857 -1.6272 -1.5112 -1.4396 -1.4042 -1.3367 -1.3166 -1.2937 -1.2467 -1.2375 -1.1511 -1.0238 -0.9551 -0.6370 -0.5886 0.8843 0.8974 2.4001 2.4218 2.6195 2.6228 2.6429 2.6470 3.3123 3.3327 3.4430 3.4594 3.7075 3.7204 4.5720 4.6116 4.7261 4.7348 5.6785 5.6985 6.1740 6.2018 8.2773 8.2796 9.0539 9.0592 9.1511 9.1657 9.7258 9.7633 10.8892 10.9608 k =-0.2854 0.3786 0.4741 ( 4761 PWs) bands (ev): -5.6966 -5.6964 -4.9923 -4.9902 -4.0113 -4.0095 -3.7548 -3.7306 -2.1905 -2.1492 -2.1374 -2.0327 -2.0059 -1.9693 -1.9223 -1.6822 -1.6401 -1.5103 -1.4425 -1.4110 -1.3347 -1.3162 -1.2938 -1.2500 -1.2361 -1.1504 -1.0171 -0.9469 -0.6599 -0.6004 0.8886 0.9025 2.3938 2.4166 2.6246 2.6268 2.6863 2.6903 3.2812 3.3023 3.4325 3.4472 3.6374 3.6513 4.5707 4.6080 4.7513 4.7586 5.6869 5.7038 6.1758 6.1997 8.2953 8.2976 9.0732 9.0779 9.1671 9.1837 9.7882 9.8267 10.9971 11.0434 k =-0.2764 0.3667 0.4592 ( 4749 PWs) bands (ev): -5.7218 -5.7218 -4.9535 -4.9513 -4.0113 -4.0086 -3.7546 -3.7306 -2.1901 -2.1594 -2.1352 -2.0298 -2.0068 -1.9713 -1.9187 -1.6792 -1.6545 -1.5092 -1.4456 -1.4173 -1.3328 -1.3155 -1.2939 -1.2533 -1.2344 -1.1499 -1.0108 -0.9393 -0.6828 -0.6119 0.8854 0.8997 2.3862 2.4099 2.6106 2.6116 2.7616 2.7672 3.2535 3.2756 3.4171 3.4301 3.5683 3.5834 4.5661 4.6010 4.7882 4.7939 5.6884 5.7018 6.1726 6.1925 8.3120 8.3143 9.0957 9.0995 9.1873 9.2049 9.8455 9.8852 11.0607 11.0672 k =-0.2675 0.3549 0.4444 ( 4741 PWs) bands (ev): -5.7482 -5.7482 -4.9136 -4.9112 -4.0094 -4.0058 -3.7543 -3.7305 -2.1897 -2.1709 -2.1321 -2.0277 -2.0079 -1.9728 -1.9135 -1.6767 -1.6700 -1.5079 -1.4487 -1.4229 -1.3310 -1.3144 -1.2939 -1.2568 -1.2322 -1.1494 -1.0049 -0.9325 -0.7056 -0.6232 0.8758 0.8900 2.3762 2.4007 2.6019 2.6020 2.8445 2.8517 3.2296 3.2529 3.3970 3.4080 3.5013 3.5177 4.5613 4.5947 4.8317 4.8370 5.6828 5.6924 6.1649 6.1807 8.3278 8.3301 9.1223 9.1249 9.2119 9.2298 9.8969 9.9378 11.0173 11.0235 k =-0.2586 0.3431 0.4296 ( 4741 PWs) bands (ev): -5.7756 -5.7754 -4.8725 -4.8700 -4.0056 -4.0013 -3.7539 -3.7304 -2.1895 -2.1836 -2.1282 -2.0262 -2.0091 -1.9739 -1.9067 -1.6866 -1.6747 -1.5064 -1.4518 -1.4277 -1.3296 -1.3132 -1.2939 -1.2603 -1.2294 -1.1490 -0.9994 -0.9264 -0.7282 -0.6341 0.8609 0.8747 2.3637 2.3883 2.5982 2.5990 2.9323 2.9419 3.2094 3.2349 3.3720 3.3811 3.4380 3.4558 4.5575 4.5902 4.8800 4.8855 5.6701 5.6756 6.1534 6.1652 8.3433 8.3457 9.1531 9.1545 9.2407 9.2584 9.9413 9.9835 10.9413 10.9547 k =-0.2497 0.3312 0.4148 ( 4727 PWs) bands (ev): -5.8037 -5.8034 -4.8304 -4.8278 -4.0002 -3.9951 -3.7533 -3.7303 -2.1977 -2.1898 -2.1235 -2.0252 -2.0108 -1.9746 -1.8987 -1.7037 -1.6732 -1.5048 -1.4549 -1.4314 -1.3285 -1.3118 -1.2940 -1.2639 -1.2260 -1.1486 -0.9944 -0.9210 -0.7503 -0.6449 0.8416 0.8548 2.3486 2.3730 2.6005 2.6018 3.0194 3.0336 3.1929 3.2234 3.3408 3.3489 3.3836 3.4013 4.5548 4.5874 4.9319 4.9382 5.6503 5.6516 6.1392 6.1471 8.3591 8.3618 9.1881 9.1885 9.2730 9.2901 9.9774 10.0210 10.8506 10.8683 k =-0.2408 0.3194 0.4000 ( 4731 PWs) bands (ev): -5.8324 -5.8320 -4.7874 -4.7846 -3.9932 -3.9874 -3.7526 -3.7301 -2.2131 -2.1910 -2.1180 -2.0245 -2.0130 -1.9750 -1.8898 -1.7208 -1.6722 -1.5032 -1.4579 -1.4340 -1.3277 -1.3103 -1.2941 -1.2674 -1.2219 -1.1483 -0.9899 -0.9166 -0.7720 -0.6554 0.8189 0.8312 2.3316 2.3554 2.6080 2.6095 3.0906 3.1150 3.1802 3.2235 3.3049 3.3141 3.3482 3.3617 4.5528 4.5855 4.9869 4.9943 5.6206 5.6238 6.1233 6.1276 8.3758 8.3789 9.2267 9.2273 9.3079 9.3241 10.0035 10.0488 10.7517 10.7723 k =-0.2319 0.3076 0.3852 ( 4739 PWs) bands (ev): -5.8614 -5.8610 -4.7434 -4.7405 -3.9848 -3.9784 -3.7517 -3.7299 -2.2299 -2.1933 -2.1119 -2.0240 -2.0155 -1.9750 -1.8807 -1.7370 -1.6717 -1.5018 -1.4606 -1.4356 -1.3273 -1.3087 -1.2943 -1.2707 -1.2171 -1.1481 -0.9859 -0.9129 -0.7929 -0.6659 0.7935 0.8047 2.3134 2.3364 2.6198 2.6214 3.1168 3.1470 3.1722 3.2263 3.2780 3.2886 3.3561 3.3627 4.5506 4.5838 5.0447 5.0533 5.5833 5.5909 6.1071 6.1079 8.3941 8.3977 9.2689 9.2699 9.3441 9.3593 10.0171 10.0644 10.6507 10.6729 k =-0.2229 0.2957 0.3704 ( 4733 PWs) bands (ev): -5.8907 -5.8902 -4.6986 -4.6956 -3.9751 -3.9682 -3.7508 -3.7297 -2.2481 -2.1974 -2.1052 -2.0241 -2.0177 -1.9747 -1.8721 -1.7514 -1.6716 -1.5007 -1.4629 -1.4361 -1.3271 -1.3072 -1.2945 -1.2737 -1.2116 -1.1478 -0.9823 -0.9101 -0.8131 -0.6763 0.7661 0.7762 2.2948 2.3170 2.6347 2.6364 3.1000 3.1172 3.1669 3.2112 3.2505 3.2602 3.4313 3.4352 4.5475 4.5812 5.1049 5.1149 5.5401 5.5522 6.0894 6.0918 8.4143 8.4185 9.3145 9.3152 9.3799 9.3943 10.0145 10.0641 10.5545 10.5769 k =-0.2140 0.2839 0.3555 ( 4725 PWs) bands (ev): -5.9200 -5.9195 -4.6531 -4.6500 -3.9644 -3.9571 -3.7498 -3.7294 -2.2677 -2.2037 -2.0980 -2.0258 -2.0187 -1.9742 -1.8648 -1.7627 -1.6719 -1.5003 -1.4645 -1.4355 -1.3271 -1.3060 -1.2948 -1.2761 -1.2055 -1.1475 -0.9793 -0.9081 -0.8324 -0.6867 0.7373 0.7460 2.2764 2.2979 2.6519 2.6538 3.0603 3.0668 3.1635 3.2001 3.2198 3.2272 3.5357 3.5385 4.5427 4.5769 5.1671 5.1786 5.4921 5.5085 6.0733 6.0786 8.4366 8.4415 9.3620 9.3626 9.4133 9.4275 9.9906 10.0426 10.4711 10.4925 k =-0.2051 0.2721 0.3407 ( 4729 PWs) bands (ev): -5.9492 -5.9486 -4.6069 -4.6037 -3.9528 -3.9451 -3.7486 -3.7290 -2.2887 -2.2129 -2.0903 -2.0287 -2.0183 -1.9734 -1.8599 -1.7697 -1.6727 -1.5008 -1.4650 -1.4338 -1.3273 -1.3052 -1.2950 -1.2778 -1.1987 -1.1471 -0.9768 -0.9070 -0.8507 -0.6972 0.7074 0.7148 2.2587 2.2794 2.6704 2.6726 3.0110 3.0119 3.1590 3.1881 3.1926 3.2018 3.6498 3.6522 4.5357 4.5703 5.2312 5.2442 5.4400 5.4605 6.0607 6.0688 8.4609 8.4666 9.4074 9.4121 9.4419 9.4578 9.9415 9.9952 10.4077 10.4276 k =-0.1962 0.2603 0.3259 ( 4735 PWs) bands (ev): -5.9781 -5.9775 -4.5601 -4.5568 -3.9404 -3.9325 -3.7473 -3.7287 -2.3110 -2.2253 -2.0824 -2.0319 -2.0171 -1.9725 -1.8579 -1.7716 -1.6739 -1.5024 -1.4644 -1.4310 -1.3277 -1.3054 -1.2950 -1.2783 -1.1915 -1.1466 -0.9747 -0.9066 -0.8680 -0.7077 0.6770 0.6830 2.2422 2.2622 2.6894 2.6920 2.9567 2.9586 3.1399 3.1560 3.1832 3.2021 3.7684 3.7706 4.5260 4.5609 5.2963 5.3111 5.3853 5.4094 6.0526 6.0631 8.4871 8.4934 9.4442 9.4596 9.4646 9.4876 9.8690 9.9227 10.3668 10.3853 k =-0.1873 0.2484 0.3111 ( 4727 PWs) bands (ev): -6.0066 -6.0060 -4.5127 -4.5094 -3.9275 -3.9194 -3.7460 -3.7283 -2.3346 -2.2415 -2.0742 -2.0349 -2.0156 -1.9715 -1.8581 -1.7690 -1.6755 -1.5052 -1.4626 -1.4271 -1.3281 -1.3065 -1.2950 -1.2774 -1.1838 -1.1459 -0.9731 -0.9070 -0.8840 -0.7184 0.6463 0.6509 2.2270 2.2464 2.7081 2.7110 2.9027 2.9059 3.1103 3.1227 3.1882 3.2083 3.8891 3.8914 4.5135 4.5485 5.3243 5.3531 5.3672 5.3823 6.0498 6.0625 8.5144 8.5215 9.4592 9.4709 9.5097 9.5233 9.7823 9.8334 10.3451 10.3622 k =-0.1783 0.2366 0.2963 ( 4727 PWs) bands (ev): -6.0346 -6.0340 -4.4650 -4.4617 -3.9141 -3.9060 -3.7445 -3.7279 -2.3595 -2.2615 -2.0659 -2.0372 -2.0138 -1.9704 -1.8593 -1.7634 -1.6774 -1.5090 -1.4598 -1.4222 -1.3285 -1.3085 -1.2946 -1.2753 -1.1758 -1.1449 -0.9719 -0.9081 -0.8988 -0.7292 0.6155 0.6188 2.2134 2.2324 2.7255 2.7282 2.8509 2.8541 3.0796 3.0907 3.1984 3.2178 4.0106 4.0132 4.4985 4.5333 5.2684 5.3003 5.4335 5.4500 6.0525 6.0672 8.5421 8.5498 9.4463 9.4620 9.5522 9.5597 9.6955 9.7394 10.3383 10.3534 k =-0.1694 0.2248 0.2815 ( 4731 PWs) bands (ev): -6.0619 -6.0613 -4.4170 -4.4136 -3.9004 -3.8924 -3.7430 -3.7274 -2.3855 -2.2851 -2.0575 -2.0387 -2.0119 -1.9694 -1.8602 -1.7563 -1.6798 -1.5135 -1.4563 -1.4164 -1.3289 -1.3111 -1.2939 -1.2722 -1.1676 -1.1435 -0.9712 -0.9122 -0.9099 -0.7403 0.5850 0.5869 2.2017 2.2202 2.7403 2.7407 2.8037 2.8042 3.0503 3.0608 3.2118 3.2300 4.1313 4.1345 4.4815 4.5157 5.2121 5.2466 5.5022 5.5200 6.0611 6.0776 8.5688 8.5771 9.3995 9.4266 9.5836 9.5849 9.6281 9.6547 10.2935 10.2949 k =-0.1605 0.2129 0.2667 ( 4739 PWs) bands (ev): -6.0883 -6.0878 -4.3688 -4.3655 -3.8865 -3.8788 -3.7414 -3.7270 -2.4127 -2.3122 -2.0491 -2.0394 -2.0097 -1.9683 -1.8602 -1.7486 -1.6825 -1.5186 -1.4522 -1.4098 -1.3293 -1.3141 -1.2929 -1.2683 -1.1593 -1.1416 -0.9711 -0.9238 -0.9123 -0.7516 0.5550 0.5556 2.1919 2.2101 2.7329 2.7469 2.7611 2.7757 3.0234 3.0336 3.2277 3.2443 4.2494 4.2532 4.4636 4.4964 5.1591 5.1956 5.5715 5.5903 6.0754 6.0934 8.5928 8.6016 9.3187 9.3583 9.5612 9.5881 9.6028 9.6113 10.1974 10.1982 k =-0.1516 0.2011 0.2518 ( 4731 PWs) bands (ev): -6.1139 -6.1134 -4.3205 -4.3172 -3.8727 -3.8654 -3.7397 -3.7266 -2.4408 -2.3421 -2.0409 -2.0393 -2.0074 -1.9674 -1.8589 -1.7411 -1.6856 -1.5241 -1.4476 -1.4025 -1.3297 -1.3174 -1.2914 -1.2639 -1.1509 -1.1389 -0.9720 -0.9334 -0.9153 -0.7631 0.5248 0.5255 2.1842 2.2021 2.6951 2.7074 2.7617 2.7756 2.9998 3.0096 3.2455 3.2602 4.3613 4.3642 4.4479 4.4766 5.1132 5.1505 5.6409 5.6606 6.0951 6.1144 8.6118 8.6210 9.2176 9.2643 9.5238 9.5421 9.5914 9.5962 10.1262 10.1264 k =-0.1427 0.1893 0.2370 ( 4731 PWs) bands (ev): -6.1385 -6.1380 -4.2723 -4.2691 -3.8590 -3.8522 -3.7379 -3.7261 -2.4699 -2.3745 -2.0385 -2.0328 -2.0050 -1.9665 -1.8562 -1.7342 -1.6890 -1.5301 -1.4426 -1.3947 -1.3299 -1.3208 -1.2894 -1.2591 -1.1426 -1.1354 -0.9743 -0.9403 -0.9188 -0.7748 0.4950 0.4968 2.1786 2.1963 2.6529 2.6637 2.7639 2.7769 2.9801 2.9891 3.2649 3.2775 4.4152 4.4477 4.4711 4.4830 5.0805 5.1166 5.7100 5.7303 6.1198 6.1401 8.6227 8.6323 9.1082 9.1578 9.4898 9.5049 9.5489 9.5521 10.0839 10.0849 k =-0.1338 0.1774 0.2222 ( 4735 PWs) bands (ev): -6.1620 -6.1615 -4.2243 -4.2213 -3.8455 -3.8394 -3.7360 -3.7256 -2.4997 -2.4087 -2.0372 -2.0250 -2.0025 -1.9658 -1.8523 -1.7280 -1.6927 -1.5365 -1.4374 -1.3867 -1.3300 -1.3242 -1.2870 -1.2542 -1.1344 -1.1309 -0.9783 -0.9442 -0.9228 -0.7867 0.4661 0.4690 2.1753 2.1928 2.6120 2.6220 2.7610 2.7735 2.9642 2.9720 3.2852 3.2956 4.4023 4.4347 4.5456 4.5655 5.0707 5.1026 5.7784 5.7991 6.1491 6.1700 8.6222 8.6319 8.9969 9.0473 9.4575 9.4752 9.4782 9.4847 10.0659 10.0678 k =-0.1248 0.1656 0.2074 ( 4755 PWs) bands (ev): -6.1843 -6.1838 -4.1766 -4.1738 -3.8323 -3.8271 -3.7341 -3.7252 -2.5302 -2.4444 -2.0353 -2.0176 -2.0000 -1.9653 -1.8472 -1.7225 -1.6967 -1.5432 -1.4319 -1.3787 -1.3299 -1.3276 -1.2841 -1.2493 -1.1264 -1.1251 -0.9835 -0.9455 -0.9272 -0.7988 0.4383 0.4423 2.1741 2.1916 2.5733 2.5827 2.7533 2.7652 2.9515 2.9573 3.3061 3.3141 4.3878 4.4175 4.5946 4.6230 5.0953 5.1198 5.8456 5.8664 6.1822 6.2035 8.6068 8.6167 8.8866 8.9367 9.3870 9.3898 9.4471 9.4549 10.0602 10.0635 k =-0.1159 0.1538 0.1926 ( 4759 PWs) bands (ev): -6.2054 -6.2049 -4.1296 -4.1270 -3.8196 -3.8154 -3.7321 -3.7247 -2.5610 -2.4810 -2.0330 -2.0106 -1.9975 -1.9651 -1.8411 -1.7179 -1.7009 -1.5501 -1.4264 -1.3710 -1.3309 -1.3297 -1.2808 -1.2447 -1.1187 -1.1180 -0.9892 -0.9450 -0.9319 -0.8111 0.4119 0.4166 2.1751 2.1926 2.5371 2.5460 2.7417 2.7527 2.9403 2.9439 3.3270 3.3325 4.3756 4.4025 4.6096 4.6466 5.1575 5.1744 5.9111 5.9317 6.2187 6.2399 8.5744 8.5842 8.7790 8.8282 9.2915 9.2929 9.4377 9.4462 10.0560 10.0619 k =-0.1070 0.1420 0.1778 ( 4755 PWs) bands (ev): -6.2252 -6.2247 -4.0833 -4.0810 -3.8075 -3.8044 -3.7300 -3.7242 -2.5922 -2.5182 -2.0304 -2.0041 -1.9950 -1.9650 -1.8342 -1.7140 -1.7052 -1.5574 -1.4208 -1.3637 -1.3340 -1.3293 -1.2772 -1.2405 -1.1112 -1.1094 -0.9947 -0.9434 -0.9369 -0.8235 0.3868 0.3923 2.1783 2.1959 2.5036 2.5119 2.7275 2.7376 2.9290 2.9303 3.3475 3.3504 4.3666 4.3904 4.6003 4.6428 5.2480 5.2597 5.9743 5.9943 6.2579 6.2786 8.5248 8.5342 8.6752 8.7232 9.1927 9.1937 9.4418 9.4500 10.0472 10.0568 k =-0.0981 0.1301 0.1630 ( 4755 PWs) bands (ev): -6.2435 -6.2431 -4.0380 -4.0361 -3.7961 -3.7942 -3.7279 -3.7237 -2.6233 -2.5556 -2.0274 -1.9981 -1.9925 -1.9653 -1.8266 -1.7107 -1.7097 -1.5650 -1.4153 -1.3572 -1.3369 -1.3288 -1.2732 -1.2370 -1.1040 -1.0996 -0.9996 -0.9422 -0.9410 -0.8358 0.3632 0.3692 2.1836 2.2012 2.4729 2.4804 2.7119 2.7211 2.9155 2.9165 3.3670 3.3673 4.3611 4.3814 4.5786 4.6235 5.3550 5.3638 6.0348 6.0537 6.2992 6.3189 8.4595 8.4681 8.5763 8.6230 9.0951 9.0958 9.4576 9.4652 10.0313 10.0453 k =-0.0892 0.1183 0.1481 ( 4763 PWs) bands (ev): -6.2605 -6.2601 -3.9940 -3.9925 -3.7854 -3.7850 -3.7256 -3.7231 -2.6541 -2.5928 -2.0242 -1.9926 -1.9900 -1.9658 -1.8185 -1.7142 -1.7079 -1.5729 -1.4099 -1.3519 -1.3390 -1.3280 -1.2690 -1.2341 -1.0969 -1.0886 -1.0038 -0.9476 -0.9381 -0.8482 0.3413 0.3477 2.1907 2.2085 2.4450 2.4518 2.6957 2.7041 2.8989 2.9019 3.3830 3.3850 4.3591 4.3756 4.5528 4.5977 5.4706 5.4776 6.0919 6.1094 6.3418 6.3601 8.3811 8.3886 8.4835 8.5286 9.0011 9.0016 9.4825 9.4893 10.0086 10.0267 k =-0.0803 0.1065 0.1333 ( 4751 PWs) bands (ev): -6.2760 -6.2756 -3.9517 -3.9507 -3.7766 -3.7755 -3.7233 -3.7225 -2.6843 -2.6293 -2.0208 -1.9878 -1.9876 -1.9666 -1.8101 -1.7186 -1.7053 -1.5811 -1.4047 -1.3493 -1.3390 -1.3270 -1.2647 -1.2318 -1.0899 -1.0769 -1.0073 -0.9532 -0.9350 -0.8603 0.3212 0.3277 2.1997 2.2175 2.4201 2.4260 2.6796 2.6874 2.8804 2.8850 3.3971 3.4011 4.3603 4.3724 4.5274 4.5703 5.5901 5.5961 6.1452 6.1609 6.3850 6.4015 8.2920 8.2987 8.3981 8.4408 8.9122 8.9125 9.5137 9.5195 9.9810 10.0022 k =-0.0713 0.0946 0.1185 ( 4753 PWs) bands (ev): -6.2899 -6.2896 -3.9115 -3.9110 -3.7692 -3.7666 -3.7216 -3.7208 -2.7135 -2.6648 -2.0171 -1.9852 -1.9836 -1.9676 -1.8016 -1.7229 -1.7028 -1.5896 -1.3999 -1.3501 -1.3362 -1.3258 -1.2603 -1.2302 -1.0829 -1.0649 -1.0099 -0.9590 -0.9319 -0.8720 0.3028 0.3093 2.2101 2.2280 2.3982 2.4031 2.6641 2.6714 2.8602 2.8661 3.4095 3.4151 4.3640 4.3712 4.5049 4.5439 5.7105 5.7159 6.1941 6.2078 6.4277 6.4421 8.1955 8.2017 8.3208 8.3603 8.8297 8.8299 9.5484 9.5529 9.9510 9.9736 k =-0.0624 0.0828 0.1037 ( 4751 PWs) bands (ev): -6.3023 -6.3020 -3.8739 -3.8738 -3.7628 -3.7589 -3.7205 -3.7184 -2.7412 -2.6987 -2.0134 -1.9830 -1.9800 -1.9690 -1.7932 -1.7271 -1.7002 -1.5983 -1.3953 -1.3523 -1.3325 -1.3246 -1.2560 -1.2292 -1.0758 -1.0532 -1.0117 -0.9649 -0.9288 -0.8832 0.2865 0.2927 2.2216 2.2393 2.3796 2.3833 2.6495 2.6563 2.8389 2.8456 3.4200 3.4267 4.3695 4.3713 4.4869 4.5202 5.8298 5.8347 6.2384 6.2500 6.4690 6.4812 8.0948 8.1007 8.2516 8.2874 8.7546 8.7547 9.5838 9.5865 9.9216 9.9434 k =-0.0535 0.0710 0.0889 ( 4761 PWs) bands (ev): -6.3131 -6.3129 -3.8400 -3.8394 -3.7573 -3.7524 -3.7189 -3.7159 -2.7668 -2.7305 -2.0095 -1.9808 -1.9772 -1.9706 -1.7852 -1.7310 -1.6972 -1.6073 -1.3911 -1.3550 -1.3291 -1.3232 -1.2519 -1.2287 -1.0686 -1.0422 -1.0127 -0.9709 -0.9262 -0.8936 0.2722 0.2780 2.2335 2.2509 2.3642 2.3669 2.6359 2.6423 2.8174 2.8245 3.4286 3.4359 4.3720 4.3757 4.4738 4.5000 5.9457 5.9502 6.2778 6.2874 6.5077 6.5177 7.9931 7.9987 8.1910 8.2225 8.6877 8.6877 9.6172 9.6175 9.8954 9.9142 k =-0.0446 0.0591 0.0741 ( 4761 PWs) bands (ev): -6.3223 -6.3221 -3.8100 -3.8087 -3.7527 -3.7474 -3.7167 -3.7133 -2.7899 -2.7596 -2.0056 -1.9788 -1.9751 -1.9724 -1.7776 -1.7347 -1.6935 -1.6164 -1.3872 -1.3577 -1.3260 -1.3219 -1.2480 -1.2286 -1.0610 -1.0326 -1.0129 -0.9770 -0.9240 -0.9027 0.2600 0.2652 2.2452 2.2616 2.3526 2.3542 2.6236 2.6295 2.7968 2.8037 3.4355 3.4427 4.3727 4.3816 4.4655 4.4837 6.0558 6.0599 6.3122 6.3198 6.5428 6.5508 7.8937 7.8988 8.1392 8.1661 8.6298 8.6298 9.6433 9.6460 9.8748 9.8888 k =-0.0357 0.0473 0.0593 ( 4765 PWs) bands (ev): -6.3298 -6.3297 -3.7846 -3.7828 -3.7489 -3.7438 -3.7136 -3.7107 -2.8096 -2.7854 -2.0017 -1.9769 -1.9755 -1.9727 -1.7708 -1.7382 -1.6891 -1.6257 -1.3836 -1.3604 -1.3235 -1.3207 -1.2444 -1.2289 -1.0532 -1.0249 -1.0125 -0.9833 -0.9224 -0.9102 0.2501 0.2545 2.2556 2.2703 2.3448 2.3457 2.6127 2.6181 2.7780 2.7842 3.4410 3.4475 4.3735 4.3860 4.4611 4.4719 6.1566 6.1601 6.3417 6.3476 6.5733 6.5793 7.8000 7.8046 8.0966 8.1185 8.5814 8.5815 9.6616 9.6673 9.8618 9.8699 k =-0.0268 0.0355 0.0444 ( 4765 PWs) bands (ev): -6.3357 -6.3356 -3.7647 -3.7627 -3.7457 -3.7416 -3.7099 -3.7079 -2.8252 -2.8071 -1.9979 -1.9778 -1.9752 -1.9718 -1.7649 -1.7416 -1.6836 -1.6350 -1.3803 -1.3631 -1.3215 -1.3197 -1.2412 -1.2296 -1.0451 -1.0196 -1.0116 -0.9898 -0.9214 -0.9157 0.2425 0.2459 2.2638 2.2757 2.3410 2.3417 2.6036 2.6082 2.7622 2.7673 3.4451 3.4505 4.3746 4.3879 4.4594 4.4644 6.2430 6.2458 6.3671 6.3717 6.5982 6.6026 7.7167 7.7205 8.0637 8.0804 8.5432 8.5433 9.6722 9.6797 9.8563 9.8592 k =-0.0178 0.0237 0.0296 ( 4761 PWs) bands (ev): -6.3399 -6.3398 -3.7507 -3.7493 -3.7428 -3.7405 -3.7058 -3.7050 -2.8362 -2.8240 -1.9941 -1.9806 -1.9738 -1.9713 -1.7597 -1.7448 -1.6772 -1.6442 -1.3771 -1.3658 -1.3200 -1.3190 -1.2383 -1.2306 -1.0370 -1.0172 -1.0101 -0.9962 -0.9211 -0.9191 0.2371 0.2395 2.2695 2.2776 2.3404 2.3413 2.5967 2.6002 2.7504 2.7540 3.4482 3.4520 4.3764 4.3874 4.4590 4.4606 6.3074 6.3092 6.3906 6.3938 6.6170 6.6198 7.6497 7.6525 8.0408 8.0521 8.5157 8.5157 9.6770 9.6839 9.8558 9.8558 k =-0.0089 0.0118 0.0148 ( 4769 PWs) bands (ev): -6.3424 -6.3424 -3.7435 -3.7428 -3.7399 -3.7394 -3.7026 -3.7023 -2.8418 -2.8357 -1.9904 -1.9836 -1.9726 -1.9714 -1.7553 -1.7481 -1.6699 -1.6532 -1.3742 -1.3685 -1.3191 -1.3186 -1.2359 -1.2320 -1.0292 -1.0181 -1.0082 -1.0017 -0.9212 -0.9208 0.2342 0.2354 2.2731 2.2771 2.3416 2.3422 2.5927 2.5946 2.7434 2.7453 3.4504 3.4523 4.3789 4.3850 4.4590 4.4593 6.3430 6.3438 6.4122 6.4139 6.6288 6.6302 7.6057 7.6072 8.0281 8.0338 8.4990 8.4990 9.6792 9.6833 9.8562 9.8569 k = 0.0000 0.0000 0.0000 ( 4771 PWs) bands (ev): -6.3433 -6.3433 -3.7418 -3.7418 -3.7382 -3.7382 -3.7012 -3.7012 -2.8417 -2.8417 -1.9869 -1.9869 -1.9718 -1.9718 -1.7515 -1.7515 -1.6619 -1.6619 -1.3713 -1.3713 -1.3186 -1.3186 -1.2337 -1.2337 -1.0224 -1.0224 -1.0056 -1.0056 -0.9212 -0.9212 0.2336 0.2336 2.2755 2.2755 2.3425 2.3425 2.5919 2.5919 2.7417 2.7417 3.4518 3.4518 4.3819 4.3819 4.4590 4.4590 6.3534 6.3534 6.4225 6.4225 6.6332 6.6332 7.5907 7.5907 8.0258 8.0258 8.4934 8.4934 9.6812 9.6812 9.8572 9.8572 k = 0.0000 0.0000 0.0000 ( 4771 PWs) bands (ev): -6.3433 -6.3433 -3.7418 -3.7418 -3.7382 -3.7382 -3.7012 -3.7012 -2.8417 -2.8417 -1.9869 -1.9869 -1.9718 -1.9718 -1.7515 -1.7515 -1.6619 -1.6619 -1.3713 -1.3713 -1.3186 -1.3186 -1.2337 -1.2337 -1.0224 -1.0224 -1.0056 -1.0056 -0.9212 -0.9212 0.2336 0.2336 2.2755 2.2755 2.3425 2.3425 2.5919 2.5919 2.7417 2.7417 3.4518 3.4518 4.3819 4.3819 4.4590 4.4590 6.3534 6.3534 6.4225 6.4225 6.6332 6.6332 7.5907 7.5907 8.0258 8.0258 8.4934 8.4934 9.6812 9.6812 9.8572 9.8572 k = 0.0167 0.0126 0.0000 ( 4751 PWs) bands (ev): -6.3423 -6.3423 -3.7458 -3.7458 -3.7382 -3.7382 -3.7039 -3.7039 -2.8362 -2.8362 -1.9869 -1.9869 -1.9716 -1.9716 -1.7514 -1.7514 -1.6616 -1.6616 -1.3711 -1.3711 -1.3186 -1.3186 -1.2338 -1.2338 -1.0227 -1.0227 -1.0056 -1.0056 -0.9214 -0.9214 0.2326 0.2326 2.2769 2.2769 2.3438 2.3438 2.5898 2.5898 2.7438 2.7438 3.4560 3.4560 4.3834 4.3834 4.4604 4.4604 6.3497 6.3497 6.4187 6.4187 6.6146 6.6146 7.6097 7.6097 8.0270 8.0270 8.4957 8.4957 9.6832 9.6832 9.8589 9.8589 k = 0.0333 0.0251 0.0000 ( 4748 PWs) bands (ev): -6.3393 -6.3393 -3.7602 -3.7602 -3.7382 -3.7382 -3.7093 -3.7093 -2.8204 -2.8204 -1.9868 -1.9868 -1.9711 -1.9711 -1.7512 -1.7512 -1.6607 -1.6607 -1.3703 -1.3703 -1.3187 -1.3187 -1.2339 -1.2339 -1.0237 -1.0237 -1.0057 -1.0057 -0.9220 -0.9220 0.2296 0.2296 2.2811 2.2811 2.3479 2.3479 2.5834 2.5834 2.7502 2.7502 3.4687 3.4687 4.3878 4.3878 4.4646 4.4646 6.3383 6.3383 6.4075 6.4075 6.5626 6.5626 7.6625 7.6625 8.0308 8.0308 8.5024 8.5024 9.6891 9.6891 9.8638 9.8638 k = 0.0500 0.0377 0.0000 ( 4748 PWs) bands (ev): -6.3343 -6.3343 -3.7873 -3.7873 -3.7382 -3.7382 -3.7134 -3.7134 -2.7956 -2.7956 -1.9867 -1.9867 -1.9703 -1.9703 -1.7509 -1.7509 -1.6592 -1.6592 -1.3691 -1.3691 -1.3187 -1.3187 -1.2340 -1.2340 -1.0252 -1.0252 -1.0058 -1.0058 -0.9229 -0.9229 0.2246 0.2246 2.2882 2.2882 2.3547 2.3547 2.5733 2.5733 2.7607 2.7607 3.4892 3.4892 4.3950 4.3950 4.4716 4.4716 6.3191 6.3191 6.3891 6.3891 6.4865 6.4865 7.7402 7.7402 8.0370 8.0370 8.5136 8.5136 9.6974 9.6974 9.8710 9.8710 k = 0.0667 0.0503 0.0000 ( 4740 PWs) bands (ev): -6.3273 -6.3273 -3.8257 -3.8257 -3.7383 -3.7383 -3.7157 -3.7157 -2.7639 -2.7639 -1.9865 -1.9865 -1.9691 -1.9691 -1.7504 -1.7504 -1.6570 -1.6570 -1.3676 -1.3676 -1.3187 -1.3187 -1.2342 -1.2342 -1.0274 -1.0274 -1.0059 -1.0059 -0.9239 -0.9239 0.2177 0.2177 2.2980 2.2980 2.3641 2.3641 2.5604 2.5604 2.7752 2.7752 3.5166 3.5166 4.4050 4.4050 4.4811 4.4811 6.2911 6.2911 6.3638 6.3638 6.3965 6.3965 7.8340 7.8340 8.0458 8.0458 8.5291 8.5291 9.7059 9.7059 9.8789 9.8789 k = 0.0833 0.0628 0.0000 ( 4736 PWs) bands (ev): -6.3183 -6.3183 -3.8728 -3.8728 -3.7383 -3.7383 -3.7172 -3.7172 -2.7272 -2.7272 -1.9863 -1.9863 -1.9676 -1.9676 -1.7500 -1.7500 -1.6542 -1.6542 -1.3659 -1.3659 -1.3184 -1.3184 -1.2345 -1.2345 -1.0301 -1.0301 -1.0062 -1.0062 -0.9249 -0.9249 0.2090 0.2090 2.3106 2.3106 2.3760 2.3760 2.5454 2.5454 2.7935 2.7935 3.5502 3.5502 4.4177 4.4177 4.4933 4.4933 6.2458 6.2458 6.3071 6.3071 6.3326 6.3326 7.9373 7.9373 8.0571 8.0571 8.5490 8.5490 9.7098 9.7098 9.8835 9.8835 k = 0.1000 0.0754 0.0000 ( 4736 PWs) bands (ev): -6.3073 -6.3073 -3.9263 -3.9263 -3.7384 -3.7384 -3.7182 -3.7182 -2.6872 -2.6872 -1.9861 -1.9861 -1.9659 -1.9659 -1.7496 -1.7496 -1.6505 -1.6505 -1.3641 -1.3641 -1.3177 -1.3177 -1.2348 -1.2348 -1.0333 -1.0333 -1.0066 -1.0066 -0.9255 -0.9255 0.1985 0.1985 2.3257 2.3257 2.3906 2.3906 2.5295 2.5295 2.8154 2.8154 3.5888 3.5888 4.4330 4.4330 4.5079 4.5079 6.1605 6.1605 6.2466 6.2466 6.2955 6.2955 8.0453 8.0453 8.0710 8.0710 8.5731 8.5731 9.6991 9.6991 9.8437 9.8437 k = 0.1167 0.0879 0.0000 ( 4740 PWs) bands (ev): -6.2943 -6.2943 -3.9846 -3.9846 -3.7385 -3.7385 -3.7190 -3.7190 -2.6456 -2.6456 -1.9860 -1.9860 -1.9639 -1.9639 -1.7493 -1.7493 -1.6460 -1.6460 -1.3624 -1.3624 -1.3165 -1.3165 -1.2353 -1.2353 -1.0370 -1.0370 -1.0075 -1.0075 -0.9254 -0.9254 0.1864 0.1864 2.3435 2.3435 2.4075 2.4075 2.5133 2.5133 2.8404 2.8404 3.6316 3.6316 4.4507 4.4507 4.5247 4.5247 6.0527 6.0527 6.2001 6.2001 6.2536 6.2536 8.0872 8.0872 8.1548 8.1548 8.6013 8.6013 9.6630 9.6630 9.8119 9.8119 k = 0.1333 0.1005 0.0000 ( 4748 PWs) bands (ev): -6.2794 -6.2794 -4.0464 -4.0464 -3.7385 -3.7385 -3.7197 -3.7197 -2.6034 -2.6034 -1.9859 -1.9859 -1.9616 -1.9616 -1.7492 -1.7492 -1.6408 -1.6408 -1.3612 -1.3612 -1.3146 -1.3146 -1.2358 -1.2358 -1.0412 -1.0412 -1.0089 -1.0089 -0.9241 -0.9241 0.1728 0.1728 2.3636 2.3636 2.4267 2.4267 2.4978 2.4978 2.8684 2.8684 3.6777 3.6777 4.4706 4.4706 4.5436 4.5436 5.9397 5.9397 6.1532 6.1532 6.2077 6.2077 8.1060 8.1060 8.2621 8.2621 8.6334 8.6334 9.6084 9.6084 9.7934 9.7934 k = 0.1500 0.1131 0.0000 ( 4748 PWs) bands (ev): -6.2625 -6.2625 -4.1109 -4.1109 -3.7386 -3.7386 -3.7204 -3.7204 -2.5616 -2.5616 -1.9860 -1.9860 -1.9590 -1.9590 -1.7493 -1.7493 -1.6346 -1.6346 -1.3606 -1.3606 -1.3119 -1.3119 -1.2364 -1.2364 -1.0458 -1.0458 -1.0110 -1.0110 -0.9211 -0.9211 0.1578 0.1578 2.3861 2.3861 2.4477 2.4477 2.4840 2.4840 2.8987 2.8987 3.7263 3.7263 4.4925 4.4925 4.5642 4.5642 5.8252 5.8252 6.1040 6.1040 6.1584 6.1584 8.1273 8.1273 8.3641 8.3641 8.6693 8.6693 9.5505 9.5505 9.7730 9.7730 k = 0.1667 0.1256 0.0000 ( 4752 PWs) bands (ev): -6.2436 -6.2436 -4.1773 -4.1773 -3.7387 -3.7387 -3.7211 -3.7211 -2.5210 -2.5210 -1.9864 -1.9864 -1.9561 -1.9561 -1.7497 -1.7497 -1.6278 -1.6278 -1.3608 -1.3608 -1.3085 -1.3085 -1.2372 -1.2372 -1.0507 -1.0507 -1.0140 -1.0140 -0.9158 -0.9158 0.1415 0.1415 2.4106 2.4106 2.4651 2.4651 2.4779 2.4779 2.9310 2.9310 3.7768 3.7768 4.5160 4.5160 4.5863 4.5863 5.7111 5.7111 6.0526 6.0526 6.1068 6.1068 8.1509 8.1509 8.4567 8.4567 8.7086 8.7086 9.4989 9.4989 9.7419 9.7419 k = 0.1833 0.1382 0.0000 ( 4756 PWs) bands (ev): -6.2228 -6.2228 -4.2451 -4.2451 -3.7387 -3.7387 -3.7218 -3.7218 -2.4819 -2.4819 -1.9870 -1.9870 -1.9529 -1.9529 -1.7504 -1.7504 -1.6202 -1.6202 -1.3616 -1.3616 -1.3044 -1.3044 -1.2380 -1.2380 -1.0558 -1.0558 -1.0181 -1.0181 -0.9078 -0.9078 0.1240 0.1240 2.4360 2.4360 2.4604 2.4604 2.4993 2.4993 2.9647 2.9647 3.8286 3.8286 4.5408 4.5408 4.6094 4.6094 5.5982 5.5982 5.9997 5.9997 6.0535 6.0535 8.1767 8.1767 8.5348 8.5348 8.7512 8.7512 9.4607 9.4607 9.6970 9.6970 k = 0.2000 0.1508 0.0000 ( 4760 PWs) bands (ev): -6.2001 -6.2001 -4.3138 -4.3138 -3.7388 -3.7388 -3.7225 -3.7225 -2.4448 -2.4448 -1.9880 -1.9880 -1.9494 -1.9494 -1.7515 -1.7515 -1.6121 -1.6121 -1.3630 -1.3630 -1.3000 -1.3000 -1.2389 -1.2389 -1.0612 -1.0612 -1.0231 -1.0231 -0.8969 -0.8969 0.1055 0.1055 2.4477 2.4477 2.4702 2.4702 2.5263 2.5263 2.9993 2.9993 3.8809 3.8809 4.5664 4.5664 4.6331 4.6331 5.4875 5.4875 5.9460 5.9460 5.9996 5.9996 8.2046 8.2046 8.5926 8.5926 8.7965 8.7965 9.4420 9.4420 9.6378 9.6378 k = 0.2167 0.1633 0.0000 ( 4760 PWs) bands (ev): -6.1754 -6.1754 -4.3831 -4.3831 -3.7389 -3.7389 -3.7232 -3.7232 -2.4099 -2.4099 -1.9894 -1.9894 -1.9455 -1.9455 -1.7529 -1.7529 -1.6035 -1.6035 -1.3650 -1.3650 -1.2955 -1.2955 -1.2399 -1.2399 -1.0668 -1.0668 -1.0290 -1.0290 -0.8827 -0.8827 0.0860 0.0860 2.4448 2.4448 2.4991 2.4991 2.5552 2.5552 3.0339 3.0339 3.9335 3.9335 4.5925 4.5925 4.6568 4.6568 5.3795 5.3795 5.8925 5.8925 5.9459 5.9459 8.2342 8.2342 8.6253 8.6253 8.8439 8.8439 9.4467 9.4467 9.5662 9.5662 k = 0.2333 0.1759 0.0000 ( 4776 PWs) bands (ev): -6.1488 -6.1488 -4.4526 -4.4526 -3.7389 -3.7389 -3.7240 -3.7240 -2.3774 -2.3774 -1.9913 -1.9913 -1.9412 -1.9412 -1.7547 -1.7547 -1.5946 -1.5946 -1.3675 -1.3675 -1.2913 -1.2913 -1.2409 -1.2409 -1.0725 -1.0725 -1.0355 -1.0355 -0.8654 -0.8654 0.0657 0.0657 2.4438 2.4438 2.5308 2.5308 2.5856 2.5856 3.0679 3.0679 3.9857 3.9857 4.6183 4.6183 4.6800 4.6800 5.2751 5.2751 5.8401 5.8401 5.8932 5.8932 8.2651 8.2651 8.6323 8.6323 8.8927 8.8927 9.4631 9.4631 9.4876 9.4876 k = 0.2500 0.1885 0.0000 ( 4760 PWs) bands (ev): -6.1203 -6.1203 -4.5222 -4.5222 -3.7389 -3.7389 -3.7247 -3.7247 -2.3471 -2.3471 -1.9936 -1.9936 -1.9366 -1.9366 -1.7569 -1.7569 -1.5854 -1.5854 -1.3704 -1.3704 -1.2874 -1.2874 -1.2419 -1.2419 -1.0782 -1.0782 -1.0427 -1.0427 -0.8449 -0.8449 0.0445 0.0445 2.4461 2.4461 2.5641 2.5641 2.6172 2.6172 3.1005 3.1005 4.0371 4.0371 4.6433 4.6433 4.7018 4.7018 5.1750 5.1750 5.7897 5.7897 5.8427 5.8427 8.2968 8.2968 8.6176 8.6176 8.9416 8.9416 9.3935 9.3935 9.4173 9.4173 k = 0.2667 0.2010 0.0000 ( 4752 PWs) bands (ev): -6.0899 -6.0899 -4.5917 -4.5917 -3.7389 -3.7389 -3.7255 -3.7255 -2.3192 -2.3192 -1.9965 -1.9965 -1.9316 -1.9316 -1.7594 -1.7594 -1.5762 -1.5762 -1.3737 -1.3737 -1.2842 -1.2842 -1.2427 -1.2427 -1.0838 -1.0838 -1.0502 -1.0502 -0.8215 -0.8215 0.0226 0.0226 2.4520 2.4520 2.5985 2.5985 2.6497 2.6497 3.1307 3.1307 4.0873 4.0873 4.6665 4.6665 4.7216 4.7216 5.0799 5.0799 5.7425 5.7425 5.7953 5.7953 8.3283 8.3283 8.5876 8.5876 8.9885 8.9885 9.3016 9.3016 9.3278 9.3278 k = 0.2833 0.2136 0.0000 ( 4736 PWs) bands (ev): -6.0577 -6.0577 -4.6608 -4.6608 -3.7389 -3.7389 -3.7263 -3.7263 -2.2935 -2.2935 -2.0000 -2.0000 -1.9263 -1.9263 -1.7623 -1.7623 -1.5671 -1.5671 -1.3773 -1.3773 -1.2816 -1.2816 -1.2435 -1.2435 -1.0895 -1.0895 -1.0579 -1.0579 -0.7952 -0.7952 -0.0001 -0.0001 2.4618 2.4618 2.6337 2.6337 2.6829 2.6829 3.1575 3.1575 4.1359 4.1359 4.6873 4.6873 4.7384 4.7384 4.9906 4.9906 5.6995 5.6995 5.7519 5.7519 8.3586 8.3586 8.5482 8.5482 9.0304 9.0304 9.2080 9.2080 9.2352 9.2352 k = 0.3000 0.2261 0.0000 ( 4736 PWs) bands (ev): -6.0236 -6.0236 -4.7294 -4.7294 -3.7389 -3.7389 -3.7271 -3.7271 -2.2699 -2.2699 -2.0039 -2.0039 -1.9205 -1.9205 -1.7656 -1.7656 -1.5579 -1.5579 -1.3812 -1.3812 -1.2796 -1.2796 -1.2441 -1.2441 -1.0949 -1.0949 -1.0656 -1.0656 -0.7666 -0.7666 -0.0234 -0.0234 2.4755 2.4755 2.6694 2.6694 2.7163 2.7163 3.1799 3.1799 4.1825 4.1825 4.7048 4.7048 4.7514 4.7514 4.9080 4.9080 5.6617 5.6617 5.7135 5.7135 8.3859 8.3859 8.5042 8.5042 9.0613 9.0613 9.1166 9.1166 9.1431 9.1431 k = 0.3167 0.2387 0.0000 ( 4732 PWs) bands (ev): -5.9877 -5.9877 -4.7974 -4.7974 -3.7388 -3.7388 -3.7278 -3.7278 -2.2481 -2.2481 -2.0084 -2.0084 -1.9145 -1.9145 -1.7693 -1.7693 -1.5489 -1.5489 -1.3854 -1.3854 -1.2783 -1.2783 -1.2447 -1.2447 -1.1002 -1.1002 -1.0734 -1.0734 -0.7358 -0.7358 -0.0474 -0.0474 2.4933 2.4933 2.7052 2.7052 2.7496 2.7496 3.1967 3.1967 4.2267 4.2267 4.7181 4.7181 4.7598 4.7598 4.8328 4.8328 5.6302 5.6302 5.6809 5.6809 8.4080 8.4080 8.4588 8.4588 9.0196 9.0196 9.0489 9.0489 9.0913 9.0913 k = 0.3333 0.2513 0.0000 ( 4732 PWs) bands (ev): -5.9500 -5.9500 -4.8647 -4.8647 -3.7387 -3.7387 -3.7286 -3.7286 -2.2281 -2.2281 -2.0134 -2.0134 -1.9081 -1.9081 -1.7734 -1.7734 -1.5400 -1.5400 -1.3901 -1.3901 -1.2773 -1.2773 -1.2452 -1.2452 -1.1052 -1.1052 -1.0809 -1.0809 -0.7034 -0.7034 -0.0721 -0.0721 2.5151 2.5151 2.7407 2.7407 2.7824 2.7824 3.2068 3.2068 4.2682 4.2682 4.7267 4.7267 4.7625 4.7625 4.7666 4.7666 5.6055 5.6055 5.6547 5.6547 8.4119 8.4119 8.4248 8.4248 8.9330 8.9330 8.9619 8.9619 9.0984 9.0984 k = 0.3500 0.2638 0.0000 ( 4720 PWs) bands (ev): -5.9105 -5.9105 -4.9311 -4.9311 -3.7385 -3.7385 -3.7294 -3.7294 -2.2096 -2.2096 -2.0190 -2.0190 -1.9014 -1.9014 -1.7780 -1.7780 -1.5312 -1.5312 -1.3951 -1.3951 -1.2766 -1.2766 -1.2458 -1.2458 -1.1100 -1.1100 -1.0881 -1.0881 -0.6697 -0.6697 -0.0974 -0.0974 2.5409 2.5409 2.7754 2.7754 2.8143 2.8143 3.2096 3.2096 4.3067 4.3067 4.7076 4.7076 4.7305 4.7305 4.7617 4.7617 5.5879 5.5879 5.6350 5.6350 8.3707 8.3707 8.4280 8.4280 8.8499 8.8499 8.8780 8.8780 9.1031 9.1031 k = 0.3667 0.2764 0.0000 ( 4720 PWs) bands (ev): -5.8693 -5.8693 -4.9967 -4.9967 -3.7384 -3.7384 -3.7302 -3.7302 -2.1925 -2.1925 -2.0250 -2.0250 -1.8945 -1.8945 -1.7829 -1.7829 -1.5225 -1.5225 -1.4005 -1.4005 -1.2760 -1.2760 -1.2465 -1.2465 -1.1143 -1.1143 -1.0949 -1.0949 -0.6350 -0.6350 -0.1234 -0.1234 2.5707 2.5707 2.8090 2.8090 2.8448 2.8448 3.2042 3.2042 4.3419 4.3419 4.6586 4.6586 4.7295 4.7295 4.7554 4.7554 5.5772 5.5772 5.6214 5.6214 8.3317 8.3317 8.4213 8.4213 8.7723 8.7723 8.7991 8.7991 9.1124 9.1124 k = 0.3833 0.2890 0.0000 ( 4724 PWs) bands (ev): -5.8263 -5.8263 -5.0612 -5.0612 -3.7381 -3.7381 -3.7309 -3.7309 -2.1766 -2.1766 -2.0316 -2.0316 -1.8874 -1.8874 -1.7882 -1.7882 -1.5140 -1.5140 -1.4062 -1.4062 -1.2752 -1.2752 -1.2475 -1.2475 -1.1181 -1.1181 -1.1012 -1.1012 -0.5998 -0.5998 -0.1501 -0.1501 2.6042 2.6042 2.8408 2.8408 2.8732 2.8732 3.1906 3.1906 4.3737 4.3737 4.6185 4.6185 4.7243 4.7243 4.7454 4.7454 5.5726 5.5726 5.6133 5.6133 8.2971 8.2971 8.4039 8.4039 8.7013 8.7013 8.7263 8.7263 9.1320 9.1320 k = 0.4000 0.3015 0.0000 ( 4724 PWs) bands (ev): -5.7816 -5.7816 -5.1247 -5.1247 -3.7379 -3.7379 -3.7317 -3.7317 -2.1619 -2.1619 -2.0386 -2.0386 -1.8800 -1.8800 -1.7939 -1.7939 -1.5055 -1.5055 -1.4124 -1.4124 -1.2742 -1.2742 -1.2487 -1.2487 -1.1215 -1.1215 -1.1070 -1.1070 -0.5643 -0.5643 -0.1775 -0.1775 2.6412 2.6412 2.8702 2.8702 2.8992 2.8992 3.1690 3.1690 4.4019 4.4019 4.5867 4.5867 4.7162 4.7162 4.7328 4.7328 5.5731 5.5731 5.6096 5.6096 8.2676 8.2676 8.3786 8.3786 8.6379 8.6379 8.6605 8.6605 9.1639 9.1639 k = 0.4167 0.3141 0.0000 ( 4696 PWs) bands (ev): -5.7352 -5.7352 -5.1870 -5.1870 -3.7376 -3.7376 -3.7324 -3.7324 -2.1481 -2.1481 -2.0460 -2.0460 -1.8725 -1.8725 -1.7999 -1.7999 -1.4971 -1.4971 -1.4190 -1.4190 -1.2729 -1.2729 -1.2503 -1.2503 -1.1242 -1.1242 -1.1121 -1.1121 -0.5289 -0.5289 -0.2056 -0.2056 2.6814 2.6814 2.8968 2.8968 2.9221 2.9221 3.1401 3.1401 4.4264 4.4264 4.5623 4.5623 4.7062 4.7062 4.7189 4.7189 5.5772 5.5772 5.6088 5.6088 8.2438 8.2438 8.3485 8.3485 8.5829 8.5829 8.6027 8.6027 9.2071 9.2071 k = 0.4333 0.3267 0.0000 ( 4700 PWs) bands (ev): -5.6872 -5.6872 -5.2481 -5.2481 -3.7372 -3.7372 -3.7331 -3.7331 -2.1351 -2.1351 -2.0539 -2.0539 -1.8649 -1.8649 -1.8063 -1.8063 -1.4887 -1.4887 -1.4259 -1.4259 -1.2712 -1.2712 -1.2522 -1.2522 -1.1263 -1.1263 -1.1166 -1.1166 -0.4936 -0.4936 -0.2345 -0.2345 2.7245 2.7245 2.9196 2.9196 2.9413 2.9413 3.1051 3.1051 4.4473 4.4473 4.5440 4.5440 4.6959 4.6959 4.7053 4.7053 5.5836 5.5836 5.6097 5.6097 8.2262 8.2262 8.3171 8.3171 8.5371 8.5371 8.5536 8.5536 9.2601 9.2601 k = 0.4500 0.3392 0.0000 ( 4688 PWs) bands (ev): -5.6375 -5.6375 -5.3079 -5.3079 -3.7369 -3.7369 -3.7337 -3.7337 -2.1229 -2.1229 -2.0623 -2.0623 -1.8573 -1.8573 -1.8130 -1.8130 -1.4804 -1.4804 -1.4331 -1.4331 -1.2692 -1.2692 -1.2544 -1.2544 -1.1277 -1.1277 -1.1204 -1.1204 -0.4588 -0.4588 -0.2641 -0.2641 2.7699 2.7699 2.9379 2.9379 2.9565 2.9565 3.0655 3.0655 4.4648 4.4648 4.5302 4.5302 4.6864 4.6864 4.6930 4.6930 5.5910 5.5910 5.6110 5.6110 8.2152 8.2152 8.2871 8.2871 8.5012 8.5012 8.5140 8.5140 9.3209 9.3209 k = 0.4667 0.3518 0.0000 ( 4672 PWs) bands (ev): -5.5863 -5.5863 -5.3664 -5.3664 -3.7364 -3.7364 -3.7343 -3.7343 -2.1114 -2.1114 -2.0711 -2.0711 -1.8497 -1.8497 -1.8200 -1.8200 -1.4722 -1.4722 -1.4405 -1.4405 -1.2670 -1.2670 -1.2568 -1.2568 -1.1284 -1.1284 -1.1235 -1.1235 -0.4245 -0.4245 -0.2946 -0.2946 2.8170 2.8170 2.9493 2.9493 2.9674 2.9674 3.0243 3.0243 4.4792 4.4792 4.5194 4.5194 4.6791 4.6791 4.6833 4.6833 5.5981 5.5981 5.6117 5.6117 8.2110 8.2110 8.2606 8.2606 8.4758 8.4758 8.4846 8.4846 9.3882 9.3882 k = 0.4833 0.3643 0.0000 ( 4656 PWs) bands (ev): -5.5336 -5.5336 -5.4236 -5.4236 -3.7360 -3.7360 -3.7349 -3.7349 -2.1005 -2.1005 -2.0804 -2.0804 -1.8421 -1.8421 -1.8272 -1.8272 -1.4641 -1.4641 -1.4482 -1.4482 -1.2645 -1.2645 -1.2593 -1.2593 -1.1283 -1.1283 -1.1258 -1.1258 -0.3909 -0.3909 -0.3259 -0.3259 2.8646 2.8646 2.9446 2.9446 2.9745 2.9745 2.9913 2.9913 4.4911 4.4911 4.5102 4.5102 4.6747 4.6747 4.6767 4.6767 5.6042 5.6042 5.6111 5.6111 8.2136 8.2136 8.2389 8.2389 8.4613 8.4613 8.4658 8.4658 9.4606 9.4606 k = 0.5000 0.3769 0.0000 ( 4672 PWs) bands (ev): -5.4793 -5.4793 -5.4793 -5.4793 -3.7355 -3.7355 -3.7355 -3.7355 -2.0902 -2.0902 -2.0902 -2.0902 -1.8345 -1.8345 -1.8345 -1.8345 -1.4561 -1.4561 -1.4561 -1.4561 -1.2620 -1.2620 -1.2620 -1.2620 -1.1274 -1.1274 -1.1274 -1.1274 -0.3580 -0.3580 -0.3580 -0.3580 2.9104 2.9104 2.9104 2.9104 2.9799 2.9799 2.9799 2.9799 4.5011 4.5011 4.5011 4.5011 4.6738 4.6738 4.6738 4.6738 5.6086 5.6086 5.6086 5.6086 8.2230 8.2230 8.2230 8.2230 8.4580 8.4580 8.4580 8.4580 9.5374 9.5374 k = 0.5000 0.3769 0.0000 ( 4672 PWs) bands (ev): -5.4793 -5.4793 -5.4793 -5.4793 -3.7355 -3.7355 -3.7355 -3.7355 -2.0902 -2.0902 -2.0902 -2.0902 -1.8345 -1.8345 -1.8345 -1.8345 -1.4561 -1.4561 -1.4561 -1.4561 -1.2620 -1.2620 -1.2620 -1.2620 -1.1274 -1.1274 -1.1274 -1.1274 -0.3580 -0.3580 -0.3580 -0.3580 2.9104 2.9104 2.9104 2.9104 2.9799 2.9799 2.9799 2.9799 4.5011 4.5011 4.5011 4.5011 4.6738 4.6738 4.6738 4.6738 5.6086 5.6086 5.6086 5.6086 8.2230 8.2230 8.2230 8.2230 8.4580 8.4580 8.4580 8.4580 9.5374 9.5374 k = 0.4911 0.3888 0.0149 ( 4664 PWs) bands (ev): -5.4795 -5.4793 -5.4784 -5.4784 -3.7375 -3.7362 -3.7362 -3.7345 -2.0942 -2.0908 -2.0897 -2.0868 -1.8445 -1.8355 -1.8349 -1.8250 -1.4640 -1.4638 -1.4487 -1.4482 -1.2650 -1.2627 -1.2616 -1.2589 -1.1414 -1.1280 -1.1262 -1.1171 -0.3608 -0.3573 -0.3544 -0.3473 2.8912 2.8947 2.9134 2.9141 2.9711 2.9743 2.9931 3.0006 4.4825 4.4874 4.4989 4.5023 4.6717 4.6739 4.6863 4.6921 5.6043 5.6044 5.6080 5.6142 8.2130 8.2136 8.2269 8.2278 8.4592 8.4618 8.4708 8.4725 9.5407 9.5410 k = 0.4821 0.4006 0.0297 ( 4668 PWs) bands (ev): -5.4799 -5.4796 -5.4758 -5.4757 -3.7416 -3.7391 -3.7372 -3.7337 -2.0985 -2.0913 -2.0893 -2.0839 -1.8550 -1.8380 -1.8365 -1.8161 -1.4723 -1.4712 -1.4420 -1.4403 -1.2681 -1.2639 -1.2615 -1.2559 -1.1579 -1.1279 -1.1243 -1.1107 -0.3640 -0.3574 -0.3381 -0.3244 2.8643 2.8688 2.9040 2.9065 2.9687 2.9710 3.0153 3.0281 4.4432 4.4506 4.4952 4.5020 4.6685 4.6725 4.7201 4.7294 5.5924 5.5928 5.6112 5.6239 8.1892 8.1902 8.2394 8.2410 8.4661 8.4715 8.5048 8.5078 9.5536 9.5558 k = 0.4732 0.4125 0.0446 ( 4678 PWs) bands (ev): -5.4806 -5.4802 -5.4714 -5.4712 -3.7479 -3.7443 -3.7382 -3.7329 -2.1033 -2.0918 -2.0889 -2.0816 -1.8659 -1.8419 -1.8392 -1.8076 -1.4808 -1.4782 -1.4361 -1.4324 -1.2711 -1.2657 -1.2617 -1.2530 -1.1755 -1.1273 -1.1216 -1.1082 -0.3684 -0.3587 -0.3090 -0.2903 2.8345 2.8381 2.8860 2.8919 2.9666 2.9679 3.0420 3.0578 4.3943 4.4028 4.4903 4.5003 4.6632 4.6688 4.7634 4.7751 5.5730 5.5736 5.6190 5.6378 8.1605 8.1614 8.2601 8.2625 8.4787 8.4868 8.5510 8.5553 9.5759 9.5814 k = 0.4642 0.4244 0.0595 ( 4710 PWs) bands (ev): -5.4816 -5.4810 -5.4652 -5.4649 -3.7564 -3.7517 -3.7393 -3.7323 -2.1085 -2.0922 -2.0887 -2.0800 -1.8771 -1.8472 -1.8428 -1.7995 -1.4894 -1.4846 -1.4310 -1.4247 -1.2741 -1.2683 -1.2623 -1.2502 -1.1927 -1.1260 -1.1182 -1.1089 -0.3737 -0.3612 -0.2684 -0.2464 2.8034 2.8055 2.8620 2.8707 2.9637 2.9643 3.0701 3.0882 4.3403 4.3496 4.4845 4.4975 4.6553 4.6619 4.8111 4.8249 5.5464 5.5474 5.6313 5.6558 8.1321 8.1329 8.2888 8.2916 8.4969 8.5077 8.6035 8.6089 9.6072 9.6169 k = 0.4553 0.4363 0.0743 ( 4712 PWs) bands (ev): -5.4829 -5.4822 -5.4572 -5.4569 -3.7669 -3.7613 -3.7404 -3.7317 -2.1141 -2.0925 -2.0886 -2.0791 -1.8885 -1.8539 -1.8471 -1.7918 -1.4977 -1.4904 -1.4268 -1.4171 -1.2774 -1.2720 -1.2632 -1.2476 -1.2081 -1.1243 -1.1144 -1.1116 -0.3800 -0.3649 -0.2179 -0.1940 2.7719 2.7720 2.8331 2.8439 2.9597 2.9600 3.0988 3.1187 4.2833 4.2932 4.4779 4.4935 4.6440 4.6509 4.8614 4.8774 5.5133 5.5146 5.6481 5.6777 8.1068 8.1075 8.3248 8.3279 8.5206 8.5342 8.6588 8.6655 9.6471 9.6613 k = 0.4463 0.4481 0.0892 ( 4700 PWs) bands (ev): -5.4847 -5.4838 -5.4474 -5.4470 -3.7792 -3.7728 -3.7415 -3.7313 -2.1201 -2.0925 -2.0887 -2.0791 -1.8999 -1.8616 -1.8519 -1.7845 -1.5059 -1.4955 -1.4234 -1.4099 -1.2821 -1.2761 -1.2645 -1.2451 -1.2203 -1.1220 -1.1168 -1.1087 -0.3873 -0.3699 -0.1589 -0.1346 2.7384 2.7404 2.8002 2.8125 2.9544 2.9547 3.1275 3.1489 4.2242 4.2346 4.4708 4.4887 4.6284 4.6353 4.9137 4.9319 5.4744 5.4760 5.6692 5.7032 8.0859 8.0864 8.3675 8.3706 8.5500 8.5664 8.7149 8.7230 9.6948 9.7136 k = 0.4374 0.4600 0.1041 ( 4708 PWs) bands (ev): -5.4869 -5.4860 -5.4359 -5.4355 -3.7931 -3.7861 -3.7427 -3.7309 -2.1263 -2.0922 -2.0889 -2.0800 -1.9111 -1.8701 -1.8573 -1.7775 -1.5136 -1.4998 -1.4208 -1.4030 -1.2894 -1.2792 -1.2663 -1.2428 -1.2289 -1.1221 -1.1192 -1.1030 -0.3955 -0.3761 -0.0932 -0.0694 2.7048 2.7092 2.7645 2.7776 2.9478 2.9482 3.1561 3.1788 4.1636 4.1746 4.4635 4.4833 4.6079 4.6143 4.9675 4.9879 5.4304 5.4323 5.6943 5.7323 8.0700 8.0703 8.4159 8.4188 8.5849 8.6041 8.7705 8.7801 9.7492 9.7720 k = 0.4284 0.4719 0.1189 ( 4712 PWs) bands (ev): -5.4897 -5.4887 -5.4227 -5.4222 -3.8084 -3.8009 -3.7439 -3.7305 -2.1328 -2.0916 -2.0894 -2.0819 -1.9219 -1.8791 -1.8628 -1.7707 -1.5209 -1.5033 -1.4190 -1.3966 -1.2984 -1.2815 -1.2686 -1.2406 -1.2345 -1.1276 -1.1159 -1.0965 -0.4045 -0.3836 -0.0220 0.0005 2.6717 2.6786 2.7269 2.7401 2.9398 2.9404 3.1845 3.2083 4.1021 4.1135 4.4564 4.4778 4.5822 4.5878 5.0226 5.0452 5.3821 5.3843 5.7232 5.7644 8.0593 8.0594 8.4692 8.4715 8.6252 8.6472 8.8249 8.8360 9.8091 9.8338 k = 0.4195 0.4837 0.1338 ( 4716 PWs) bands (ev): -5.4932 -5.4921 -5.4077 -5.4071 -3.8249 -3.8170 -3.7450 -3.7303 -2.1394 -2.0907 -2.0900 -2.0847 -1.9322 -1.8882 -1.8686 -1.7641 -1.5278 -1.5060 -1.4179 -1.3907 -1.3076 -1.2834 -1.2714 -1.2385 -1.2380 -1.1329 -1.1121 -1.0892 -0.4143 -0.3925 0.0533 0.0740 2.6391 2.6489 2.6885 2.7011 2.9301 2.9311 3.2126 3.2373 4.0401 4.0520 4.4500 4.4726 4.5510 4.5557 5.0783 5.1031 5.3305 5.3329 5.7554 5.7992 8.0536 8.0537 8.5260 8.5276 8.6705 8.6952 8.8775 8.8899 9.8728 9.8956 k = 0.4105 0.4956 0.1487 ( 4716 PWs) bands (ev): -5.4975 -5.4963 -5.3910 -5.3904 -3.8421 -3.8342 -3.7462 -3.7301 -2.1461 -2.0909 -2.0894 -2.0885 -1.9418 -1.8972 -1.8745 -1.7577 -1.5343 -1.5081 -1.4175 -1.3854 -1.3163 -1.2850 -1.2747 -1.2400 -1.2367 -1.1377 -1.1078 -1.0813 -0.4248 -0.4026 0.1317 0.1502 2.6072 2.6204 2.6505 2.6617 2.9187 2.9203 3.2402 3.2657 3.9781 3.9903 4.4447 4.4681 4.5144 4.5182 5.1339 5.1610 5.2768 5.2790 5.7904 5.8362 8.0527 8.0529 8.5850 8.5858 8.7202 8.7475 8.9282 8.9418 9.9386 9.9537 k = 0.4016 0.5075 0.1635 ( 4724 PWs) bands (ev): -5.5027 -5.5015 -5.3727 -5.3719 -3.8599 -3.8520 -3.7473 -3.7300 -2.1526 -2.0932 -2.0920 -2.0876 -1.9508 -1.9057 -1.8803 -1.7513 -1.5404 -1.5096 -1.4175 -1.3808 -1.3238 -1.2864 -1.2785 -1.2413 -1.2351 -1.1420 -1.1031 -1.0728 -0.4360 -0.4141 0.2119 0.2280 2.5760 2.5931 2.6143 2.6228 2.9054 2.9076 3.2673 3.2934 3.9163 3.9290 4.4410 4.4620 4.4726 4.4784 5.1836 5.2106 5.2272 5.2314 5.8275 5.8747 8.0563 8.0566 8.6448 8.6449 8.7736 8.8030 8.9772 8.9917 10.0051 10.0062 k = 0.3926 0.5194 0.1784 ( 4720 PWs) bands (ev): -5.5090 -5.5078 -5.3526 -5.3518 -3.8779 -3.8702 -3.7484 -3.7299 -2.1589 -2.0984 -2.0934 -2.0854 -1.9589 -1.9137 -1.8861 -1.7450 -1.5462 -1.5107 -1.4180 -1.3769 -1.3301 -1.2875 -1.2828 -1.2419 -1.2337 -1.1456 -1.0979 -1.0637 -0.4478 -0.4268 0.2929 0.3066 2.5457 2.5674 2.5808 2.5857 2.8903 2.8932 3.2938 3.3202 3.8553 3.8683 4.4244 4.4252 4.4400 4.4670 5.1568 5.1637 5.2524 5.2784 5.8661 5.9142 8.0641 8.0645 8.7030 8.7039 8.8292 8.8603 9.0251 9.0402 10.0538 10.0716 k = 0.3837 0.5312 0.1933 ( 4722 PWs) bands (ev): -5.5164 -5.5152 -5.3309 -5.3300 -3.8957 -3.8884 -3.7494 -3.7299 -2.1649 -2.1041 -2.0951 -2.0826 -1.9663 -1.9210 -1.8917 -1.7388 -1.5518 -1.5115 -1.4188 -1.3738 -1.3352 -1.2886 -1.2874 -1.2423 -1.2327 -1.1485 -1.0923 -1.0542 -0.4600 -0.4408 0.3737 0.3847 2.5166 2.5429 2.5510 2.5518 2.8733 2.8769 3.3193 3.3458 3.7952 3.8087 4.3724 4.3741 4.4407 4.4678 5.1007 5.1065 5.3055 5.3340 5.9054 5.9539 8.0755 8.0760 8.7590 8.7605 8.8852 8.9168 9.0731 9.0890 10.0996 10.1381 k = 0.3747 0.5431 0.2081 ( 4730 PWs) bands (ev): -5.5251 -5.5239 -5.3076 -5.3066 -3.9132 -3.9063 -3.7504 -3.7299 -2.1704 -2.1099 -2.0971 -2.0794 -1.9729 -1.9277 -1.8972 -1.7326 -1.5574 -1.5120 -1.4200 -1.3716 -1.3390 -1.2923 -1.2895 -1.2423 -1.2321 -1.1507 -1.0863 -1.0443 -0.4726 -0.4561 0.4530 0.4613 2.4900 2.5178 2.5245 2.5250 2.8544 2.8587 3.3436 3.3701 3.7366 3.7505 4.3159 4.3188 4.4445 4.4720 5.0438 5.0495 5.3585 5.3881 5.9447 5.9930 8.0901 8.0908 8.8113 8.8130 8.9390 8.9693 9.1230 9.1404 10.1469 10.2048 k = 0.3658 0.5550 0.2230 ( 4726 PWs) bands (ev): -5.5352 -5.5340 -5.2827 -5.2816 -3.9298 -3.9236 -3.7512 -3.7300 -2.1753 -2.1157 -2.0995 -2.0757 -1.9787 -1.9338 -1.9023 -1.7266 -1.5629 -1.5123 -1.4214 -1.3704 -1.3417 -1.2973 -1.2903 -1.2422 -1.2320 -1.1523 -1.0800 -1.0342 -0.4855 -0.4726 0.5296 0.5352 2.4674 2.4933 2.5028 2.5038 2.8338 2.8387 3.3663 3.3927 3.6796 3.6940 4.2557 4.2599 4.4515 4.4793 4.9879 4.9936 5.4096 5.4398 5.9832 6.0309 8.1074 8.1083 8.8587 8.8602 8.9873 9.0140 9.1771 9.1971 10.1987 10.2725 k = 0.3568 0.5668 0.2379 ( 4738 PWs) bands (ev): -5.5467 -5.5456 -5.2562 -5.2550 -3.9455 -3.9399 -3.7521 -3.7300 -2.1795 -2.1212 -2.1023 -2.0715 -1.9839 -1.9394 -1.9072 -1.7206 -1.5686 -1.5126 -1.4230 -1.3704 -1.3434 -1.3021 -1.2910 -1.2420 -1.2324 -1.1532 -1.0733 -1.0239 -0.4987 -0.4902 0.6023 0.6050 2.4500 2.4744 2.4843 2.4861 2.8115 2.8170 3.3872 3.4131 3.6246 3.6394 4.1925 4.1979 4.4619 4.4900 4.9341 4.9397 5.4582 5.4885 6.0201 6.0668 8.1269 8.1280 8.9003 8.9011 9.0279 9.0492 9.2371 9.2605 10.2573 10.3417 k = 0.3479 0.5787 0.2527 ( 4744 PWs) bands (ev): -5.5599 -5.5589 -5.2282 -5.2269 -3.9598 -3.9551 -3.7528 -3.7301 -2.1831 -2.1262 -2.1056 -2.0669 -1.9885 -1.9445 -1.9117 -1.7148 -1.5747 -1.5128 -1.4248 -1.3717 -1.3442 -1.3065 -1.2916 -1.2416 -1.2332 -1.1537 -1.0664 -1.0135 -0.5119 -0.5088 0.6695 0.6696 2.4384 2.4632 2.4704 2.4710 2.7880 2.7938 3.4056 3.4310 3.5720 3.5872 4.1269 4.1334 4.4755 4.5041 4.8833 4.8885 5.5036 5.5336 6.0545 6.0997 8.1480 8.1493 8.9354 8.9357 9.0603 9.0753 9.3028 9.3296 10.3242 10.4138 k = 0.3389 0.5906 0.2676 ( 4752 PWs) bands (ev): -5.5746 -5.5737 -5.1986 -5.1972 -3.9726 -3.9687 -3.7534 -3.7302 -2.1859 -2.1305 -2.1095 -2.0619 -1.9925 -1.9492 -1.9157 -1.7092 -1.5812 -1.5128 -1.4269 -1.3744 -1.3442 -1.3102 -1.2921 -1.2412 -1.2345 -1.1537 -1.0593 -1.0031 -0.5285 -0.5251 0.7273 0.7302 2.4314 2.4580 2.4612 2.4637 2.7634 2.7695 3.4208 3.4458 3.5221 3.5375 4.0592 4.0669 4.4922 4.5214 4.8366 4.8412 5.5452 5.5747 6.0858 6.1291 8.1702 8.1717 8.9633 8.9650 9.0856 9.0941 9.3727 9.4025 10.4000 10.4908 k = 0.3300 0.6025 0.2825 ( 4742 PWs) bands (ev): -5.5910 -5.5902 -5.1676 -5.1661 -3.9837 -3.9807 -3.7540 -3.7303 -2.1881 -2.1340 -2.1140 -2.0567 -1.9959 -1.9535 -1.9192 -1.7038 -1.5884 -1.5128 -1.4291 -1.3785 -1.3435 -1.3130 -1.2926 -1.2407 -1.2363 -1.1535 -1.0521 -0.9929 -0.5490 -0.5383 0.7771 0.7827 2.4252 2.4475 2.4689 2.4694 2.7381 2.7443 3.4314 3.4564 3.4764 3.4912 3.9901 3.9988 4.5114 4.5417 4.7954 4.7985 5.5826 5.6110 6.1133 6.1542 8.1928 8.1946 8.9859 8.9890 9.1054 9.1079 9.4450 9.4770 10.4846 10.5741 k = 0.3210 0.6143 0.2973 ( 4742 PWs) bands (ev): -5.6091 -5.6084 -5.1351 -5.1335 -3.9929 -3.9909 -3.7544 -3.7304 -2.1896 -2.1366 -2.1192 -2.0513 -1.9988 -1.9575 -1.9219 -1.6987 -1.5964 -1.5127 -1.4315 -1.3839 -1.3423 -1.3150 -1.2930 -1.2401 -1.2384 -1.1530 -1.0449 -0.9828 -0.5702 -0.5513 0.8181 0.8261 2.4184 2.4390 2.4883 2.4892 2.7128 2.7187 3.4217 3.4436 3.4499 3.4672 3.9198 3.9296 4.5319 4.5642 4.7613 4.7621 5.6151 5.6421 6.1362 6.1744 8.2153 8.2173 9.0046 9.0089 9.1186 9.1217 9.5179 9.5517 10.5773 10.6640 k = 0.3210 0.6143 0.2973 ( 4742 PWs) bands (ev): -5.6091 -5.6084 -5.1351 -5.1335 -3.9929 -3.9909 -3.7544 -3.7304 -2.1896 -2.1366 -2.1192 -2.0513 -1.9988 -1.9575 -1.9219 -1.6987 -1.5964 -1.5127 -1.4315 -1.3839 -1.3423 -1.3150 -1.2930 -1.2401 -1.2384 -1.1530 -1.0449 -0.9828 -0.5702 -0.5513 0.8181 0.8261 2.4184 2.4390 2.4883 2.4892 2.7128 2.7187 3.4217 3.4436 3.4499 3.4672 3.9198 3.9296 4.5319 4.5642 4.7613 4.7621 5.6151 5.6421 6.1362 6.1744 8.2153 8.2173 9.0046 9.0089 9.1186 9.1217 9.5179 9.5517 10.5773 10.6640 k = 0.3021 0.6088 0.3043 ( 4747 PWs) bands (ev): -5.6198 -5.6192 -5.1175 -5.1158 -3.9960 -3.9944 -3.7547 -3.7306 -2.1903 -2.1375 -2.1216 -2.0489 -2.0000 -1.9591 -1.9229 -1.6971 -1.6001 -1.5125 -1.4328 -1.3873 -1.3414 -1.3156 -1.2930 -1.2418 -1.2376 -1.1528 -1.0418 -0.9788 -0.5810 -0.5571 0.8345 0.8438 2.4101 2.4315 2.5033 2.5113 2.6988 2.7043 3.4012 3.4165 3.4573 3.4705 3.8895 3.8994 4.5393 4.5729 4.7504 4.7517 5.6253 5.6519 6.1464 6.1828 8.2286 8.2314 9.0051 9.0116 9.1260 9.1305 9.5579 9.5920 10.6229 10.7097 k = 0.2833 0.6032 0.3112 ( 4748 PWs) bands (ev): -5.6334 -5.6328 -5.0966 -5.0949 -3.9975 -3.9963 -3.7552 -3.7312 -2.1913 -2.1382 -2.1237 -2.0469 -2.0010 -1.9607 -1.9238 -1.6973 -1.6030 -1.5120 -1.4344 -1.3918 -1.3402 -1.3162 -1.2930 -1.2446 -1.2358 -1.1528 -1.0393 -0.9762 -0.5922 -0.5626 0.8503 0.8610 2.3991 2.4217 2.5260 2.5369 2.6808 2.6855 3.3771 3.3887 3.4635 3.4727 3.8668 3.8764 4.5425 4.5775 4.7463 4.7487 5.6286 5.6553 6.1566 6.1905 8.2479 8.2521 8.9946 9.0041 9.1382 9.1426 9.6088 9.6429 10.6676 10.7588 k = 0.2644 0.5977 0.3181 ( 4746 PWs) bands (ev): -5.6488 -5.6483 -5.0738 -5.0720 -3.9972 -3.9964 -3.7562 -3.7322 -2.1923 -2.1386 -2.1254 -2.0454 -2.0020 -1.9622 -1.9246 -1.6998 -1.6047 -1.5113 -1.4364 -1.3970 -1.3390 -1.3165 -1.2929 -1.2477 -1.2339 -1.1531 -1.0377 -0.9754 -0.6029 -0.5677 0.8657 0.8780 2.3891 2.4133 2.5495 2.5618 2.6596 2.6634 3.3502 3.3588 3.4673 3.4733 3.8543 3.8631 4.5419 4.5782 4.7486 4.7517 5.6258 5.6530 6.1651 6.1959 8.2731 8.2784 8.9796 8.9915 9.1522 9.1568 9.6693 9.7031 10.7096 10.8065 k = 0.2455 0.5922 0.3251 ( 4738 PWs) bands (ev): -5.6651 -5.6646 -5.0502 -5.0483 -3.9953 -3.9946 -3.7574 -3.7336 -2.1930 -2.1388 -2.1267 -2.0446 -2.0027 -1.9636 -1.9252 -1.7047 -1.6049 -1.5103 -1.4389 -1.4029 -1.3379 -1.3167 -1.2929 -1.2511 -1.2319 -1.1537 -1.0369 -0.9766 -0.6122 -0.5722 0.8811 0.8948 2.3805 2.4065 2.5699 2.5844 2.6362 2.6409 3.3186 3.3242 3.4711 3.4758 3.8522 3.8601 4.5382 4.5754 4.7564 4.7595 5.6180 5.6457 6.1702 6.1973 8.3037 8.3098 8.9647 8.9783 9.1662 9.1721 9.7382 9.7719 10.7483 10.8489 k = 0.2266 0.5866 0.3320 ( 4734 PWs) bands (ev): -5.6815 -5.6812 -5.0267 -5.0247 -3.9917 -3.9908 -3.7591 -3.7355 -2.1935 -2.1386 -2.1278 -2.0443 -2.0033 -1.9651 -1.9256 -1.7122 -1.6036 -1.5091 -1.4419 -1.4091 -1.3370 -1.3167 -1.2931 -1.2547 -1.2299 -1.1548 -1.0370 -0.9799 -0.6194 -0.5760 0.8969 0.9118 2.3730 2.4008 2.5788 2.6011 2.6148 2.6257 3.2818 3.2848 3.4777 3.4827 3.8589 3.8657 4.5322 4.5701 4.7686 4.7716 5.6060 5.6339 6.1706 6.1938 8.3391 8.3454 8.9523 8.9671 9.1804 9.1887 9.8143 9.8482 10.7844 10.8861 k = 0.2077 0.5811 0.3390 ( 4739 PWs) bands (ev): -5.6977 -5.6974 -5.0039 -5.0019 -3.9865 -3.9850 -3.7613 -3.7380 -2.1934 -2.1381 -2.1287 -2.0448 -2.0038 -1.9667 -1.9258 -1.7221 -1.6008 -1.5076 -1.4456 -1.4155 -1.3361 -1.3165 -1.2935 -1.2585 -1.2278 -1.1563 -1.0380 -0.9854 -0.6242 -0.5788 0.9131 0.9288 2.3658 2.3957 2.5637 2.5864 2.6214 2.6304 3.2413 3.2426 3.4887 3.4946 3.8717 3.8773 4.5245 4.5630 4.7844 4.7873 5.5905 5.6185 6.1652 6.1847 8.3788 8.3847 8.9436 8.9591 9.1959 9.2075 9.8965 9.9311 10.8179 10.9191 k = 0.1888 0.5755 0.3459 ( 4743 PWs) bands (ev): -5.7133 -5.7130 -4.9823 -4.9803 -3.9796 -3.9775 -3.7639 -3.7411 -2.1928 -2.1371 -2.1296 -2.0459 -2.0040 -1.9684 -1.9257 -1.7342 -1.5969 -1.5059 -1.4500 -1.4218 -1.3354 -1.3161 -1.2943 -1.2625 -1.2257 -1.1584 -1.0395 -0.9924 -0.6265 -0.5808 0.9298 0.9460 2.3582 2.3905 2.5378 2.5637 2.6337 2.6416 3.1988 3.2012 3.5042 3.5109 3.8882 3.8921 4.5164 4.5553 4.8033 4.8060 5.5722 5.6000 6.1537 6.1697 8.4218 8.4272 8.9384 8.9542 9.2140 9.2295 9.9836 10.0194 10.8486 10.9477 k = 0.1700 0.5700 0.3529 ( 4748 PWs) bands (ev): -5.7278 -5.7276 -4.9623 -4.9604 -3.9711 -3.9683 -3.7671 -3.7448 -2.1916 -2.1358 -2.1304 -2.0479 -2.0039 -1.9704 -1.9252 -1.7479 -1.5921 -1.5040 -1.4553 -1.4279 -1.3347 -1.3155 -1.2956 -1.2666 -1.2234 -1.1610 -1.0416 -1.0006 -0.6264 -0.5820 0.9469 0.9632 2.3497 2.3844 2.5104 2.5415 2.6434 2.6510 3.1578 3.1619 3.5237 3.5312 3.9056 3.9078 4.5090 4.5481 4.8245 4.8271 5.5518 5.5790 6.1361 6.1492 8.4673 8.4724 8.9359 8.9519 9.2358 9.2558 10.0742 10.1120 10.8744 10.9690 k = 0.1511 0.5644 0.3598 ( 4741 PWs) bands (ev): -5.7413 -5.7410 -4.9442 -4.9424 -3.9613 -3.9578 -3.7708 -3.7493 -2.1897 -2.1344 -2.1309 -2.0506 -2.0035 -1.9726 -1.9243 -1.7629 -1.5865 -1.5019 -1.4614 -1.4337 -1.3340 -1.3147 -1.2973 -1.2707 -1.2212 -1.1643 -1.0439 -1.0093 -0.6243 -0.5825 0.9642 0.9802 2.3402 2.3773 2.4834 2.5202 2.6501 2.6579 3.1205 3.1259 3.5466 3.5547 3.9215 3.9224 4.5034 4.5425 4.8474 4.8501 5.5299 5.5562 6.1129 6.1242 8.5143 8.5200 8.9351 8.9508 9.2619 9.2868 10.1665 10.2072 10.8910 10.9750 k = 0.1322 0.5589 0.3667 ( 4740 PWs) bands (ev): -5.7534 -5.7532 -4.9282 -4.9264 -3.9505 -3.9461 -3.7751 -3.7545 -2.1871 -2.1345 -2.1296 -2.0541 -2.0028 -1.9749 -1.9228 -1.7789 -1.5804 -1.4997 -1.4681 -1.4392 -1.3332 -1.3136 -1.2995 -1.2748 -1.2188 -1.1681 -1.0462 -1.0179 -0.6206 -0.5825 0.9814 0.9968 2.3299 2.3689 2.4578 2.4993 2.6547 2.6625 3.0881 3.0943 3.5720 3.5807 3.9326 3.9353 4.5010 4.5394 4.8714 4.8741 5.5073 5.5323 6.0854 6.0956 8.5619 8.5693 8.9346 8.9500 9.2926 9.3223 10.2580 10.3031 10.8883 10.9532 k = 0.1133 0.5534 0.3737 ( 4732 PWs) bands (ev): -5.7641 -5.7639 -4.9142 -4.9127 -3.9388 -3.9337 -3.7799 -3.7604 -2.1838 -2.1359 -2.1267 -2.0584 -2.0018 -1.9773 -1.9206 -1.7954 -1.5738 -1.4976 -1.4752 -1.4444 -1.3323 -1.3124 -1.3022 -1.2789 -1.2164 -1.1723 -1.0485 -1.0257 -0.6160 -0.5823 0.9981 1.0124 2.3197 2.3595 2.4340 2.4784 2.6579 2.6656 3.0610 3.0673 3.5992 3.6082 3.9390 3.9436 4.5026 4.5393 4.8957 4.8984 5.4848 5.5080 6.0552 6.0649 8.6095 8.6190 8.9334 8.9485 9.3273 9.3611 10.3445 10.3965 10.8601 10.9058 k = 0.0944 0.5478 0.3806 ( 4736 PWs) bands (ev): -5.7732 -5.7731 -4.9025 -4.9011 -3.9268 -3.9211 -3.7851 -3.7670 -2.1800 -2.1380 -2.1229 -2.0634 -2.0006 -1.9798 -1.9175 -1.8119 -1.5668 -1.4962 -1.4816 -1.4495 -1.3312 -1.3109 -1.3052 -1.2829 -1.2138 -1.1768 -1.0504 -1.0327 -0.6107 -0.5821 1.0139 1.0266 2.3102 2.3495 2.4126 2.4574 2.6606 2.6679 3.0390 3.0450 3.6274 3.6364 3.9401 3.9463 4.5082 4.5420 4.9193 4.9220 5.4633 5.4842 6.0244 6.0335 8.6560 8.6676 8.9307 8.9454 9.3647 9.4011 10.4185 10.4813 10.8252 10.8501 k = 0.0755 0.5423 0.3876 ( 4740 PWs) bands (ev): -5.7808 -5.7807 -4.8929 -4.8918 -3.9149 -3.9088 -3.7904 -3.7741 -2.1756 -2.1407 -2.1185 -2.0691 -1.9991 -1.9822 -1.9133 -1.8281 -1.5596 -1.4981 -1.4848 -1.4545 -1.3299 -1.3091 -1.3085 -1.2867 -1.2111 -1.1814 -1.0518 -1.0385 -0.6053 -0.5821 1.0282 1.0389 2.3025 2.3392 2.3946 2.4369 2.6634 2.6697 3.0218 3.0270 3.6554 3.6641 3.9363 3.9434 4.5173 4.5468 4.9411 4.9437 5.4440 5.4619 5.9951 6.0035 8.7003 8.7135 8.9261 8.9405 9.4029 9.4393 10.4680 10.5433 10.8103 10.8125 k = 0.0567 0.5367 0.3945 ( 4733 PWs) bands (ev): -5.7867 -5.7866 -4.8855 -4.8846 -3.9037 -3.8976 -3.7954 -3.7816 -2.1709 -2.1438 -2.1134 -2.0754 -1.9974 -1.9847 -1.9078 -1.8436 -1.5520 -1.5042 -1.4837 -1.4594 -1.3283 -1.3119 -1.3071 -1.2903 -1.2082 -1.1859 -1.0527 -1.0432 -0.6001 -0.5825 1.0405 1.0489 2.2972 2.3285 2.3815 2.4175 2.6661 2.6712 3.0091 3.0132 3.6819 3.6899 3.9289 3.9359 4.5283 4.5521 4.9602 4.9624 5.4280 5.4423 5.9697 5.9767 8.7408 8.7547 8.9195 8.9332 9.4395 9.4725 10.4858 10.5606 10.8156 10.8342 k = 0.0378 0.5312 0.4014 ( 4734 PWs) bands (ev): -5.7910 -5.7909 -4.8801 -4.8795 -3.8939 -3.8887 -3.7993 -3.7889 -2.1660 -2.1475 -2.1078 -2.0819 -1.9955 -1.9870 -1.9010 -1.8580 -1.5442 -1.5119 -1.4808 -1.4642 -1.3263 -1.3152 -1.3049 -1.2937 -1.2052 -1.1903 -1.0530 -1.0469 -0.5954 -0.5836 1.0501 1.0559 2.2949 2.3179 2.3742 2.4006 2.6687 2.6722 3.0003 3.0032 3.7051 3.7114 3.9201 3.9260 4.5395 4.5562 4.9751 4.9768 5.4163 5.4263 5.9502 5.9553 8.7759 8.7887 8.9116 8.9238 9.4716 9.4970 10.4841 10.5398 10.8587 10.8822 k = 0.0189 0.5256 0.4084 ( 4730 PWs) bands (ev): -5.7935 -5.7935 -4.8769 -4.8766 -3.8865 -3.8834 -3.8011 -3.7953 -2.1610 -2.1516 -2.1018 -2.0887 -1.9935 -1.9892 -1.8927 -1.8711 -1.5363 -1.5200 -1.4771 -1.4687 -1.3240 -1.3184 -1.3025 -1.2968 -1.2019 -1.1945 -1.0526 -1.0496 -0.5913 -0.5853 1.0567 1.0597 2.2961 2.3082 2.3730 2.3869 2.6708 2.6726 2.9955 2.9969 3.7220 3.7257 3.9133 3.9168 4.5490 4.5576 4.9848 4.9857 5.4100 5.4152 5.9383 5.9410 8.8028 8.8115 8.9049 8.9132 9.4959 9.5098 10.4818 10.5109 10.9097 10.9335 k = 0.0000 0.5201 0.4153 ( 4730 PWs) bands (ev): -5.7944 -5.7944 -4.8757 -4.8757 -3.8826 -3.8826 -3.7997 -3.7997 -2.1561 -2.1561 -2.0953 -2.0953 -1.9914 -1.9914 -1.8827 -1.8827 -1.5281 -1.5281 -1.4731 -1.4731 -1.3214 -1.3214 -1.2998 -1.2998 -1.1983 -1.1983 -1.0515 -1.0515 -0.5879 -0.5879 1.0600 1.0600 2.3007 2.3007 2.3775 2.3775 2.6722 2.6722 2.9943 2.9943 3.7296 3.7296 3.9118 3.9118 4.5553 4.5553 4.9884 4.9884 5.4096 5.4096 5.9351 5.9351 8.8166 8.8166 8.9051 8.9051 9.5093 9.5093 10.4900 10.4900 10.9491 10.9494 k = 0.0000 0.5201 0.4153 ( 4730 PWs) bands (ev): -5.7944 -5.7944 -4.8757 -4.8757 -3.8826 -3.8826 -3.7997 -3.7997 -2.1561 -2.1561 -2.0953 -2.0953 -1.9914 -1.9914 -1.8827 -1.8827 -1.5281 -1.5281 -1.4731 -1.4731 -1.3214 -1.3214 -1.2998 -1.2998 -1.1983 -1.1983 -1.0515 -1.0515 -0.5879 -0.5879 1.0600 1.0600 2.3007 2.3007 2.3775 2.3775 2.6722 2.6722 2.9943 2.9943 3.7296 3.7296 3.9118 3.9118 4.5553 4.5553 4.9884 4.9884 5.4096 5.4096 5.9351 5.9351 8.8166 8.8166 8.9051 8.9051 9.5093 9.5093 10.4900 10.4900 10.9491 10.9496 k = 0.0089 0.5083 0.4302 ( 4726 PWs) bands (ev): -5.7937 -5.7936 -4.8763 -4.8761 -3.8841 -3.8821 -3.7999 -3.7997 -2.1563 -2.1554 -2.0952 -2.0950 -1.9943 -1.9879 -1.8838 -1.8810 -1.5317 -1.5248 -1.4739 -1.4717 -1.3216 -1.3215 -1.3017 -1.2972 -1.1992 -1.1974 -1.0534 -1.0501 -0.5887 -0.5883 1.0549 1.0551 2.2936 2.2982 2.3745 2.3778 2.6786 2.6805 2.9899 2.9921 3.7302 3.7351 3.9138 3.9202 4.5578 4.5583 4.9892 4.9901 5.4103 5.4107 5.9336 5.9359 8.8119 8.8126 8.9048 8.9053 9.5077 9.5103 10.4943 10.4945 10.9356 10.9437 k = 0.0179 0.4964 0.4450 ( 4730 PWs) bands (ev): -5.7917 -5.7915 -4.8778 -4.8774 -3.8863 -3.8824 -3.8002 -3.7999 -2.1558 -2.1540 -2.0946 -2.0943 -1.9967 -1.9839 -1.8843 -1.8789 -1.5355 -1.5215 -1.4740 -1.4697 -1.3219 -1.3219 -1.3029 -1.2942 -1.2000 -1.1965 -1.0557 -1.0490 -0.5909 -0.5900 1.0402 1.0406 2.2775 2.2857 2.3698 2.3757 2.6990 2.7028 2.9797 2.9838 3.7370 3.7465 3.9258 3.9382 4.5658 4.5668 4.9925 4.9943 5.4129 5.4137 5.9313 5.9359 8.7988 8.8002 8.9044 8.9054 9.5053 9.5105 10.5072 10.5076 10.9028 10.9164 k = 0.0268 0.4846 0.4598 ( 4734 PWs) bands (ev): -5.7882 -5.7879 -4.8803 -4.8797 -3.8894 -3.8836 -3.8008 -3.8004 -2.1548 -2.1521 -2.0937 -2.0930 -1.9984 -1.9795 -1.8843 -1.8763 -1.5396 -1.5181 -1.4733 -1.4671 -1.3228 -1.3222 -1.3032 -1.2909 -1.2008 -1.1955 -1.0584 -1.0484 -0.5942 -0.5928 1.0166 1.0171 2.2528 2.2632 2.3644 2.3716 2.7309 2.7365 2.9661 2.9713 3.7497 3.7638 3.9466 3.9645 4.5791 4.5806 4.9984 5.0009 5.4174 5.4187 5.9280 5.9350 8.7782 8.7800 8.9037 8.9053 9.5021 9.5101 10.5273 10.5281 10.8534 10.8692 k = 0.0357 0.4727 0.4747 ( 4732 PWs) bands (ev): -5.7833 -5.7829 -4.8838 -4.8831 -3.8931 -3.8855 -3.8016 -3.8010 -2.1533 -2.1496 -2.0925 -2.0911 -1.9995 -1.9748 -1.8836 -1.8733 -1.5440 -1.5147 -1.4721 -1.4642 -1.3240 -1.3226 -1.3028 -1.2873 -1.2016 -1.1945 -1.0615 -1.0483 -0.5985 -0.5966 0.9851 0.9857 2.2208 2.2324 2.3571 2.3650 2.7718 2.7792 2.9520 2.9577 3.7681 3.7865 3.9741 3.9968 4.5975 4.5993 5.0070 5.0101 5.4239 5.4257 5.9238 5.9333 8.7514 8.7534 8.9028 8.9049 9.4983 9.5091 10.5529 10.5540 10.7902 10.8063 k = 0.0446 0.4609 0.4895 ( 4738 PWs) bands (ev): -5.7770 -5.7765 -4.8884 -4.8875 -3.8975 -3.8882 -3.8026 -3.8018 -2.1512 -2.1467 -2.0909 -2.0885 -2.0001 -1.9700 -1.8822 -1.8700 -1.5487 -1.5109 -1.4701 -1.4610 -1.3255 -1.3228 -1.3018 -1.2836 -1.2024 -1.1935 -1.0649 -1.0486 -0.6037 -0.6012 0.9470 0.9477 2.1828 2.1949 2.3462 2.3545 2.8192 2.8282 2.9413 2.9466 3.7921 3.8143 4.0063 4.0330 4.6203 4.6226 5.0182 5.0218 5.4325 5.4347 5.9183 5.9306 8.7199 8.7219 8.9013 8.9041 9.4937 9.5075 10.5816 10.5824 10.7180 10.7330 k = 0.0536 0.4490 0.5043 ( 4738 PWs) bands (ev): -5.7693 -5.7687 -4.8940 -4.8930 -3.9022 -3.8914 -3.8038 -3.8028 -2.1488 -2.1433 -2.0891 -2.0853 -2.0002 -1.9653 -1.8802 -1.8663 -1.5536 -1.5068 -1.4676 -1.4574 -1.3271 -1.3229 -1.3002 -1.2798 -1.2032 -1.1925 -1.0688 -1.0495 -0.6094 -0.6062 0.9034 0.9043 2.1402 2.1525 2.3296 2.3383 2.8706 2.8797 2.9388 2.9420 3.8214 3.8471 4.0412 4.0711 4.6472 4.6498 5.0323 5.0361 5.4433 5.4461 5.9115 5.9267 8.6854 8.6870 8.8991 8.9024 9.4885 9.5053 10.5988 10.6067 10.6519 10.6575 k = 0.0625 0.4372 0.5192 ( 4734 PWs) bands (ev): -5.7602 -5.7595 -4.9008 -4.8997 -3.9073 -3.8951 -3.8052 -3.8041 -2.1460 -2.1397 -2.0870 -2.0814 -1.9998 -1.9608 -1.8775 -1.8623 -1.5587 -1.5022 -1.4645 -1.4537 -1.3286 -1.3230 -1.2983 -1.2761 -1.2040 -1.1916 -1.0730 -1.0508 -0.6154 -0.6114 0.8557 0.8567 2.0939 2.1061 2.3060 2.3150 2.9185 2.9195 2.9520 2.9595 3.8559 3.8845 4.0768 4.1092 4.6776 4.6805 5.0493 5.0530 5.4563 5.4597 5.9032 5.9214 8.6495 8.6503 8.8958 8.8995 9.4826 9.5026 10.5385 10.5586 10.6489 10.6566 k = 0.0714 0.4253 0.5340 ( 4738 PWs) bands (ev): -5.7499 -5.7490 -4.9088 -4.9076 -3.9125 -3.8990 -3.8069 -3.8056 -2.1428 -2.1358 -2.0847 -2.0768 -1.9992 -1.9566 -1.8743 -1.8581 -1.5639 -1.4971 -1.4608 -1.4499 -1.3301 -1.3229 -1.2959 -1.2724 -1.2049 -1.1907 -1.0775 -1.0527 -0.6214 -0.6163 0.8048 0.8061 2.0449 2.0570 2.2751 2.2842 2.9393 2.9444 2.9953 3.0112 3.8956 3.9264 4.1117 4.1458 4.7106 4.7140 5.0691 5.0724 5.4717 5.4757 5.8933 5.9148 8.6133 8.6135 8.8911 8.8952 9.4761 9.4994 10.4519 10.4715 10.6512 10.6513 k = 0.0804 0.4135 0.5488 ( 4734 PWs) bands (ev): -5.7381 -5.7372 -4.9180 -4.9168 -3.9176 -3.9032 -3.8088 -3.8073 -2.1393 -2.1318 -2.0821 -2.0715 -1.9982 -1.9530 -1.8707 -1.8538 -1.5692 -1.4914 -1.4568 -1.4460 -1.3315 -1.3226 -1.2933 -1.2688 -1.2057 -1.1899 -1.0824 -1.0552 -0.6269 -0.6206 0.7517 0.7533 1.9941 2.0059 2.2375 2.2464 2.9618 2.9671 3.0518 3.0699 3.9403 3.9728 4.1446 4.1796 4.7458 4.7497 5.0917 5.0943 5.4894 5.4942 5.8815 5.9064 8.5771 8.5786 8.8846 8.8888 9.4688 9.4956 10.3617 10.3810 10.5978 10.6023 k = 0.0893 0.4017 0.5636 ( 4736 PWs) bands (ev): -5.7251 -5.7241 -4.9284 -4.9273 -3.9226 -3.9073 -3.8109 -3.8093 -2.1356 -2.1277 -2.0793 -2.0655 -1.9970 -1.9498 -1.8669 -1.8494 -1.5745 -1.4851 -1.4523 -1.4420 -1.3328 -1.3222 -1.2905 -1.2655 -1.2067 -1.1893 -1.0876 -1.0582 -0.6316 -0.6237 0.6971 0.6992 1.9422 1.9537 2.1942 2.2028 2.9916 2.9967 3.1097 3.1292 3.9899 4.0234 4.1746 4.2099 4.7824 4.7868 5.1169 5.1185 5.5095 5.5150 5.8678 5.8963 8.5430 8.5460 8.8758 8.8801 9.4608 9.4910 10.2703 10.2894 10.5438 10.5514 k = 0.0982 0.3898 0.5785 ( 4734 PWs) bands (ev): -5.7108 -5.7097 -4.9402 -4.9391 -3.9272 -3.9112 -3.8133 -3.8116 -2.1317 -2.1234 -2.0764 -2.0589 -1.9956 -1.9470 -1.8631 -1.8452 -1.5798 -1.4785 -1.4475 -1.4379 -1.3339 -1.3216 -1.2874 -1.2625 -1.2077 -1.1890 -1.0931 -1.0620 -0.6350 -0.6253 0.6417 0.6444 1.8900 1.9011 2.1465 2.1546 3.0285 3.0333 3.1666 3.1871 4.0441 4.0779 4.2013 4.2360 4.8197 4.8249 5.1444 5.1447 5.5318 5.5380 5.8521 5.8844 8.5117 8.5164 8.8646 8.8685 9.4517 9.4853 10.1788 10.1976 10.4922 10.5031 k = 0.1071 0.3780 0.5933 ( 4726 PWs) bands (ev): -5.6953 -5.6941 -4.9534 -4.9524 -3.9313 -3.9149 -3.8159 -3.8142 -2.1275 -2.1191 -2.0733 -2.0519 -1.9941 -1.9447 -1.8594 -1.8411 -1.5850 -1.4714 -1.4424 -1.4338 -1.3350 -1.3209 -1.2843 -1.2597 -1.2088 -1.1891 -1.0989 -1.0664 -0.6367 -0.6249 0.5859 0.5894 1.8382 1.8489 2.0959 2.1034 3.0716 3.0761 3.2218 3.2428 4.1025 4.1357 4.2243 4.2579 4.8574 4.8633 5.1726 5.1737 5.5560 5.5629 5.8347 5.8706 8.4840 8.4904 8.8504 8.8538 9.4414 9.4781 10.0880 10.1063 10.4439 10.4582 k = 0.1161 0.3661 0.6081 ( 4732 PWs) bands (ev): -5.6785 -5.6773 -4.9680 -4.9671 -3.9347 -3.9181 -3.8187 -3.8170 -2.1232 -2.1147 -2.0701 -2.0444 -1.9925 -1.9428 -1.8561 -1.8375 -1.5899 -1.4642 -1.4371 -1.4295 -1.3360 -1.3201 -1.2811 -1.2572 -1.2099 -1.1895 -1.1049 -1.0715 -0.6363 -0.6221 0.5301 0.5346 1.7874 1.7976 2.0435 2.0502 3.1196 3.1238 3.2745 3.2957 4.1641 4.1953 4.2446 4.2759 4.8948 4.9016 5.2019 5.2043 5.5817 5.5893 5.8156 5.8551 8.4603 8.4684 8.8332 8.8357 9.4293 9.4688 9.9984 10.0160 10.4003 10.4175 k = 0.1250 0.3543 0.6230 ( 4734 PWs) bands (ev): -5.6606 -5.6593 -4.9839 -4.9832 -3.9375 -3.9208 -3.8219 -3.8202 -2.1188 -2.1103 -2.0668 -2.0366 -1.9909 -1.9412 -1.8534 -1.8343 -1.5946 -1.4570 -1.4316 -1.4251 -1.3370 -1.3191 -1.2780 -1.2551 -1.2112 -1.1904 -1.1111 -1.0774 -0.6333 -0.6165 0.4746 0.4801 1.7382 1.7480 1.9903 1.9961 3.1716 3.1754 3.3246 3.3455 4.2268 4.2460 4.2720 4.2911 4.9318 4.9394 5.2320 5.2358 5.6084 5.6164 5.7954 5.8380 8.4409 8.4506 8.8130 8.8144 9.4152 9.4569 9.9105 9.9273 10.3624 10.3818 k = 0.1339 0.3424 0.6378 ( 4732 PWs) bands (ev): -5.6416 -5.6402 -5.0012 -5.0007 -3.9395 -3.9229 -3.8253 -3.8237 -2.1142 -2.1058 -2.0635 -2.0286 -1.9894 -1.9398 -1.8511 -1.8317 -1.5989 -1.4502 -1.4260 -1.4205 -1.3378 -1.3181 -1.2752 -1.2534 -1.2124 -1.1918 -1.1174 -1.0840 -0.6274 -0.6077 0.4195 0.4263 1.6912 1.7005 1.9370 1.9420 3.2265 3.2297 3.3720 3.3922 4.2650 4.2796 4.3138 4.3282 4.9683 4.9766 5.2627 5.2676 5.6354 5.6434 5.7747 5.8197 8.4260 8.4371 8.7897 8.7899 9.3984 9.4416 9.8250 9.8407 10.3317 10.3522 k = 0.1429 0.3306 0.6526 ( 4738 PWs) bands (ev): -5.6215 -5.6200 -5.0199 -5.0196 -3.9406 -3.9243 -3.8289 -3.8275 -2.1096 -2.1012 -2.0602 -2.0204 -1.9878 -1.9387 -1.8495 -1.8299 -1.6028 -1.4438 -1.4203 -1.4155 -1.3387 -1.3169 -1.2728 -1.2519 -1.2137 -1.1937 -1.1239 -1.0914 -0.6182 -0.5956 0.3649 0.3732 1.6468 1.6558 1.8844 1.8885 3.2835 3.2856 3.4167 3.4358 4.2750 4.2976 4.3675 4.3893 5.0048 5.0134 5.2936 5.2993 5.6618 5.6686 5.7548 5.8005 8.4153 8.4276 8.7628 8.7639 9.3786 9.4225 9.7422 9.7565 10.3092 10.3295 k = 0.1518 0.3187 0.6675 ( 4738 PWs) bands (ev): -5.6004 -5.5988 -5.0398 -5.0398 -3.9409 -3.9250 -3.8329 -3.8316 -2.1049 -2.0967 -2.0571 -2.0121 -1.9862 -1.9377 -1.8484 -1.8291 -1.6061 -1.4381 -1.4147 -1.4102 -1.3394 -1.3156 -1.2709 -1.2507 -1.2148 -1.1960 -1.1305 -1.0994 -0.6054 -0.5801 0.3109 0.3208 1.6056 1.6142 1.8330 1.8363 3.3415 3.3422 3.4590 3.4766 4.2820 4.3037 4.4278 4.4476 5.0417 5.0502 5.3244 5.3305 5.6867 5.6882 5.7393 5.7811 8.4087 8.4219 8.7335 8.7359 9.3557 9.3996 9.6626 9.6754 10.2958 10.3149 k = 0.1607 0.3069 0.6823 ( 4742 PWs) bands (ev): -5.5783 -5.5766 -5.0612 -5.0610 -3.9403 -3.9249 -3.8370 -3.8361 -2.1001 -2.0922 -2.0541 -2.0040 -1.9845 -1.9369 -1.8479 -1.8292 -1.6089 -1.4333 -1.4092 -1.4046 -1.3400 -1.3143 -1.2699 -1.2498 -1.2158 -1.1986 -1.1371 -1.1080 -0.5889 -0.5611 0.2575 0.2693 1.5680 1.5763 1.7833 1.7857 3.3980 3.3995 3.4991 3.5147 4.2875 4.3070 4.4837 4.5001 5.0803 5.0881 5.3546 5.3607 5.6916 5.7087 5.7384 5.7622 8.4058 8.4196 8.7030 8.7065 9.3300 9.3731 9.5868 9.5977 10.2918 10.3087 k = 0.1696 0.2951 0.6971 ( 4740 PWs) bands (ev): -5.5553 -5.5536 -5.0837 -5.0834 -3.9389 -3.9240 -3.8415 -3.8408 -2.0953 -2.0878 -2.0514 -1.9965 -1.9823 -1.9362 -1.8478 -1.8303 -1.6110 -1.4292 -1.4039 -1.3989 -1.3404 -1.3130 -1.2699 -1.2490 -1.2165 -1.2013 -1.1436 -1.1170 -0.5686 -0.5387 0.2046 0.2184 1.5345 1.5424 1.7358 1.7373 3.4516 3.4564 3.5377 3.5505 4.2924 4.3094 4.5314 4.5440 5.1218 5.1284 5.3842 5.3898 5.6799 5.7245 5.7466 5.7506 8.4061 8.4202 8.6719 8.6764 9.3021 9.3438 9.5153 9.5242 10.2971 10.3110 k = 0.1786 0.2832 0.7120 ( 4730 PWs) bands (ev): -5.5315 -5.5297 -5.1074 -5.1067 -3.9367 -3.9224 -3.8462 -3.8458 -2.0905 -2.0835 -2.0491 -1.9906 -1.9787 -1.9356 -1.8480 -1.8325 -1.6125 -1.4258 -1.3988 -1.3934 -1.3404 -1.3116 -1.2708 -1.2484 -1.2168 -1.2041 -1.1499 -1.1263 -0.5446 -0.5131 0.1523 0.1683 1.5052 1.5129 1.6906 1.6914 3.5015 3.5107 3.5750 3.5842 4.2979 4.3121 4.5680 4.5769 5.1673 5.1725 5.4129 5.4175 5.6653 5.7198 5.7482 5.7631 8.4090 8.4232 8.6413 8.6463 9.2730 9.3129 9.4487 9.4553 10.3108 10.3213 k = 0.1875 0.2714 0.7268 ( 4732 PWs) bands (ev): -5.5069 -5.5050 -5.1319 -5.1311 -3.9338 -3.9202 -3.8511 -3.8510 -2.0859 -2.0795 -2.0472 -1.9872 -1.9728 -1.9351 -1.8485 -1.8356 -1.6135 -1.4230 -1.3940 -1.3884 -1.3397 -1.3103 -1.2729 -1.2480 -1.2169 -1.2067 -1.1561 -1.1357 -0.5170 -0.4844 0.1005 0.1188 1.4806 1.4880 1.6483 1.6483 3.5461 3.5610 3.6116 3.6162 4.3051 4.3164 4.5916 4.5975 5.2172 5.2211 5.4404 5.4435 5.6517 5.7046 5.7560 5.7713 8.4142 8.4279 8.6121 8.6172 9.2438 9.2817 9.3877 9.3916 10.3319 10.3387 k = 0.1964 0.2595 0.7416 ( 4732 PWs) bands (ev): -5.4816 -5.4797 -5.1573 -5.1562 -3.9303 -3.9173 -3.8565 -3.8561 -2.0813 -2.0757 -2.0458 -1.9854 -1.9656 -1.9347 -1.8492 -1.8396 -1.6140 -1.4207 -1.3897 -1.3841 -1.3381 -1.3091 -1.2759 -1.2477 -1.2166 -1.2089 -1.1618 -1.1449 -0.4860 -0.4530 0.0492 0.0700 1.4609 1.4680 1.6084 1.6092 3.5842 3.6052 3.6469 3.6470 4.3152 4.3235 4.6015 4.6053 5.2710 5.2743 5.4666 5.4677 5.6400 5.6894 5.7590 5.7734 8.4209 8.4339 8.5848 8.5896 9.2158 9.2514 9.3328 9.3340 10.3591 10.3620 k = 0.2054 0.2477 0.7565 ( 4734 PWs) bands (ev): -5.4556 -5.4537 -5.1833 -5.1821 -3.9262 -3.9138 -3.8621 -3.8613 -2.0770 -2.0724 -2.0449 -1.9845 -1.9580 -1.9344 -1.8499 -1.8441 -1.6142 -1.4187 -1.3859 -1.3809 -1.3354 -1.3081 -1.2798 -1.2474 -1.2161 -1.2106 -1.1670 -1.1538 -0.4519 -0.4191 -0.0015 0.0219 1.4461 1.4530 1.5720 1.5734 3.6161 3.6416 3.6768 3.6795 4.3292 4.3345 4.5986 4.6015 5.3273 5.3307 5.4900 5.4915 5.6301 5.6752 5.7556 5.7686 8.4287 8.4407 8.5603 8.5643 9.1902 9.2234 9.2831 9.2848 10.3899 10.3910 k = 0.2143 0.2358 0.7713 ( 4722 PWs) bands (ev): -5.4292 -5.4273 -5.2100 -5.2086 -3.9217 -3.9099 -3.8678 -3.8666 -2.0730 -2.0695 -2.0444 -1.9839 -1.9506 -1.9340 -1.8506 -1.8490 -1.6141 -1.4172 -1.3826 -1.3788 -1.3316 -1.3071 -1.2845 -1.2472 -1.2154 -1.2116 -1.1716 -1.1620 -0.4149 -0.3831 -0.0517 -0.0254 1.4364 1.4431 1.5393 1.5413 3.6422 3.6701 3.7043 3.7073 4.3480 4.3505 4.5847 4.5875 5.3840 5.3884 5.5102 5.5148 5.6218 5.6620 5.7453 5.7565 8.4372 8.4479 8.5388 8.5416 9.1682 9.1990 9.2395 9.2443 10.4210 10.4261 k = 0.2232 0.2240 0.7861 ( 4718 PWs) bands (ev): -5.4023 -5.4004 -5.2371 -5.2355 -3.9170 -3.9056 -3.8733 -3.8720 -2.0694 -2.0671 -2.0445 -1.9835 -1.9439 -1.9338 -1.8538 -1.8512 -1.6139 -1.4159 -1.3800 -1.3775 -1.3267 -1.3064 -1.2898 -1.2471 -1.2147 -1.2118 -1.1754 -1.1693 -0.3754 -0.3454 -0.1012 -0.0716 1.4319 1.4383 1.5106 1.5131 3.6631 3.6919 3.7269 3.7289 4.3716 4.3718 4.5621 4.5655 5.4383 5.4444 5.5289 5.5367 5.6149 5.6500 5.7280 5.7369 8.4463 8.4554 8.5205 8.5218 9.1508 9.1791 9.2039 9.2117 10.4540 10.4630 k = 0.2321 0.2121 0.8010 ( 4722 PWs) bands (ev): -5.3750 -5.3731 -5.2645 -5.2628 -3.9126 -3.9012 -3.8784 -3.8771 -2.0666 -2.0654 -2.0448 -1.9833 -1.9385 -1.9336 -1.8580 -1.8516 -1.6136 -1.4151 -1.3781 -1.3769 -1.3212 -1.3058 -1.2955 -1.2470 -1.2141 -1.2115 -1.1782 -1.1752 -0.3337 -0.3070 -0.1499 -0.1160 1.4323 1.4386 1.4863 1.4891 3.6785 3.7078 3.7430 3.7440 4.3981 4.3994 4.5336 4.5378 5.4862 5.4932 5.5480 5.5575 5.6096 5.6398 5.7047 5.7105 8.4558 8.4630 8.5046 8.5054 9.1387 9.1646 9.1770 9.1877 10.4871 10.5000 k = 0.2411 0.2003 0.8158 ( 4728 PWs) bands (ev): -5.3475 -5.3457 -5.2921 -5.2903 -3.9089 -3.8970 -3.8824 -3.8817 -2.0647 -2.0643 -2.0452 -1.9832 -1.9348 -1.9335 -1.8609 -1.8519 -1.6134 -1.4145 -1.3769 -1.3766 -1.3154 -1.3055 -1.3014 -1.2470 -1.2136 -1.2109 -1.1800 -1.1792 -0.2902 -0.2705 -0.1975 -0.1560 1.4373 1.4439 1.4669 1.4696 3.6882 3.7177 3.7524 3.7526 4.4276 4.4293 4.5021 4.5076 5.5204 5.5240 5.5712 5.5770 5.6086 5.6347 5.6778 5.6800 8.4660 8.4708 8.4899 8.4932 9.1322 9.1561 9.1596 9.1727 10.5174 10.5350 k = 0.2500 0.1885 0.8306 ( 4740 PWs) bands (ev): -5.3203 -5.3203 -5.3193 -5.3157 -3.9074 -3.8949 -3.8840 -3.8840 -2.0640 -2.0640 -2.0453 -1.9831 -1.9335 -1.9335 -1.8620 -1.8520 -1.6134 -1.4144 -1.3765 -1.3765 -1.3114 -1.3054 -1.3054 -1.2470 -1.2135 -1.2107 -1.1806 -1.1806 -0.2502 -0.2502 -0.2389 -0.1774 1.4429 1.4522 1.4565 1.4565 3.6915 3.7211 3.7554 3.7554 4.4494 4.4494 4.4796 4.4873 5.5328 5.5328 5.5838 5.5868 5.6151 5.6379 5.6598 5.6598 8.4761 8.4761 8.4783 8.4864 9.1304 9.1534 9.1534 9.1674 10.5337 10.5579 k = 0.2500 0.1885 0.8306 ( 4740 PWs) bands (ev): -5.3203 -5.3203 -5.3193 -5.3157 -3.9074 -3.8949 -3.8840 -3.8840 -2.0640 -2.0640 -2.0453 -1.9831 -1.9335 -1.9335 -1.8620 -1.8520 -1.6134 -1.4144 -1.3765 -1.3765 -1.3114 -1.3054 -1.3054 -1.2470 -1.2135 -1.2107 -1.1806 -1.1806 -0.2502 -0.2502 -0.2389 -0.1774 1.4429 1.4522 1.4565 1.4565 3.6915 3.7211 3.7554 3.7554 4.4494 4.4494 4.4796 4.4873 5.5328 5.5328 5.5838 5.5868 5.6151 5.6379 5.6598 5.6598 8.4761 8.4761 8.4783 8.4864 9.1304 9.1534 9.1534 9.1674 10.5337 10.5579 k = 0.2632 0.1984 0.8182 ( 4731 PWs) bands (ev): -5.3355 -5.3339 -5.3041 -5.3022 -3.9079 -3.8957 -3.8836 -3.8831 -2.0642 -2.0639 -2.0453 -1.9834 -1.9352 -1.9319 -1.8618 -1.8520 -1.6130 -1.4143 -1.3813 -1.3722 -1.3128 -1.3088 -1.3007 -1.2470 -1.2134 -1.2105 -1.1826 -1.1776 -0.2725 -0.2604 -0.2170 -0.1697 1.4433 1.4503 1.4628 1.4634 3.6851 3.7146 3.7458 3.7512 4.4386 4.4432 4.4959 4.5027 5.5285 5.5296 5.5766 5.5779 5.6192 5.6423 5.6687 5.6688 8.4614 8.4672 8.4803 8.4860 9.1360 9.1581 9.1605 9.1732 10.5260 10.5463 k = 0.2763 0.2083 0.8058 ( 4729 PWs) bands (ev): -5.3496 -5.3480 -5.2898 -5.2882 -3.9091 -3.8975 -3.8820 -3.8812 -2.0646 -2.0642 -2.0454 -1.9841 -1.9374 -1.9306 -1.8610 -1.8522 -1.6118 -1.4140 -1.3869 -1.3683 -1.3151 -1.3119 -1.2952 -1.2472 -1.2134 -1.2101 -1.1834 -1.1734 -0.3003 -0.2821 -0.1916 -0.1529 1.4486 1.4546 1.4755 1.4756 3.6660 3.6936 3.7266 3.7348 4.4212 4.4282 4.5311 4.5385 5.5175 5.5204 5.5607 5.5626 5.6323 5.6572 5.6841 5.6860 8.4306 8.4394 8.4769 8.4832 9.1539 9.1743 9.1785 9.1899 10.5090 10.5254 k = 0.2895 0.2182 0.7934 ( 4728 PWs) bands (ev): -5.3623 -5.3607 -5.2772 -5.2758 -3.9108 -3.8997 -3.8802 -3.8789 -2.0651 -2.0647 -2.0457 -1.9853 -1.9397 -1.9298 -1.8594 -1.8527 -1.6098 -1.4135 -1.3931 -1.3648 -1.3177 -1.3148 -1.2898 -1.2473 -1.2134 -1.2098 -1.1827 -1.1680 -0.3278 -0.3079 -0.1677 -0.1338 1.4604 1.4658 1.4913 1.4922 3.6344 3.6569 3.7033 3.7104 4.4051 4.4133 4.5728 4.5811 5.5017 5.5061 5.5464 5.5501 5.6512 5.6785 5.7005 5.7042 8.3868 8.3974 8.4680 8.4758 9.1828 9.1996 9.2057 9.2178 10.4886 10.5030 k = 0.3026 0.2281 0.7810 ( 4726 PWs) bands (ev): -5.3734 -5.3718 -5.2662 -5.2650 -3.9126 -3.9019 -3.8785 -3.8765 -2.0657 -2.0652 -2.0462 -1.9868 -1.9423 -1.9298 -1.8570 -1.8537 -1.6069 -1.4132 -1.3997 -1.3619 -1.3202 -1.3174 -1.2846 -1.2472 -1.2137 -1.2099 -1.1806 -1.1616 -0.3538 -0.3343 -0.1457 -0.1149 1.4780 1.4832 1.5105 1.5125 3.5920 3.6093 3.6754 3.6804 4.3923 4.4007 4.6144 4.6237 5.4836 5.4882 5.5369 5.5407 5.6740 5.7005 5.7198 5.7222 8.3333 8.3450 8.4548 8.4642 9.2199 9.2308 9.2413 9.2565 10.4670 10.4805 k = 0.3158 0.2380 0.7685 ( 4726 PWs) bands (ev): -5.3829 -5.3813 -5.2568 -5.2559 -3.9144 -3.9039 -3.8771 -3.8743 -2.0665 -2.0658 -2.0471 -1.9886 -1.9451 -1.9306 -1.8550 -1.8539 -1.6033 -1.4141 -1.4055 -1.3597 -1.3228 -1.3196 -1.2796 -1.2470 -1.2141 -1.2105 -1.1773 -1.1544 -0.3769 -0.3593 -0.1256 -0.0973 1.5006 1.5059 1.5328 1.5360 3.5422 3.5556 3.6418 3.6452 4.3833 4.3914 4.6512 4.6616 5.4652 5.4695 5.5306 5.5337 5.6979 5.7156 5.7420 5.7489 8.2737 8.2859 8.4385 8.4495 9.2615 9.2664 9.2849 9.3038 10.4453 10.4586 k = 0.3289 0.2480 0.7561 ( 4731 PWs) bands (ev): -5.3907 -5.3892 -5.2493 -5.2486 -3.9160 -3.9057 -3.8761 -3.8724 -2.0675 -2.0665 -2.0481 -1.9906 -1.9482 -1.9323 -1.8568 -1.8504 -1.5991 -1.4194 -1.4074 -1.3583 -1.3252 -1.3215 -1.2750 -1.2465 -1.2148 -1.2113 -1.1731 -1.1468 -0.3961 -0.3813 -0.1077 -0.0813 1.5274 1.5329 1.5581 1.5625 3.4882 3.4988 3.6028 3.6051 4.3782 4.3853 4.6804 4.6922 5.4478 5.4517 5.5262 5.5284 5.7172 5.7248 5.7687 5.7855 8.2116 8.2235 8.4201 8.4325 9.3054 9.3056 9.3353 9.3568 10.4239 10.4372 k = 0.3421 0.2579 0.7437 ( 4733 PWs) bands (ev): -5.3969 -5.3954 -5.2436 -5.2431 -3.9174 -3.9072 -3.8756 -3.8710 -2.0687 -2.0671 -2.0493 -1.9929 -1.9515 -1.9347 -1.8587 -1.8466 -1.5943 -1.4278 -1.4067 -1.3576 -1.3275 -1.3230 -1.2706 -1.2457 -1.2156 -1.2124 -1.1685 -1.1394 -0.4103 -0.3990 -0.0921 -0.0672 1.5575 1.5633 1.5860 1.5916 3.4324 3.4411 3.5593 3.5610 4.3764 4.3821 4.7004 4.7138 5.4319 5.4356 5.5229 5.5244 5.7288 5.7305 5.8040 5.8261 8.1500 8.1612 8.4004 8.4141 9.3477 9.3508 9.3906 9.4137 10.4029 10.4162 k = 0.3553 0.2678 0.7313 ( 4731 PWs) bands (ev): -5.4014 -5.3999 -5.2398 -5.2395 -3.9185 -3.9084 -3.8758 -3.8702 -2.0702 -2.0678 -2.0507 -1.9953 -1.9549 -1.9377 -1.8608 -1.8431 -1.5892 -1.4372 -1.4052 -1.3575 -1.3296 -1.3242 -1.2665 -1.2447 -1.2167 -1.2137 -1.1640 -1.1325 -0.4184 -0.4112 -0.0788 -0.0553 1.5899 1.5963 1.6160 1.6227 3.3767 3.3841 3.5126 3.5140 4.3773 4.3810 4.7105 4.7258 5.4179 5.4215 5.5205 5.5213 5.7331 5.7347 5.8441 5.8680 8.0921 8.1019 8.3803 8.3950 9.3919 9.3972 9.4489 9.4729 10.3821 10.3954 k = 0.3684 0.2777 0.7189 ( 4729 PWs) bands (ev): -5.4041 -5.4027 -5.2378 -5.2378 -3.9193 -3.9093 -3.8765 -3.8700 -2.0720 -2.0687 -2.0520 -1.9980 -1.9586 -1.9412 -1.8627 -1.8400 -1.5838 -1.4471 -1.4034 -1.3581 -1.3315 -1.3252 -1.2627 -1.2435 -1.2179 -1.2150 -1.1599 -1.1268 -0.4198 -0.4167 -0.0678 -0.0456 1.6239 1.6307 1.6476 1.6554 3.3224 3.3291 3.4640 3.4653 4.3800 4.3814 4.7110 4.7285 5.4061 5.4095 5.5188 5.5192 5.7331 5.7365 5.8848 5.9084 8.0406 8.0485 8.3601 8.3757 9.4376 9.4444 9.5088 9.5331 10.3611 10.3743 k = 0.3816 0.2876 0.7064 ( 4722 PWs) bands (ev): -5.4051 -5.4037 -5.2380 -5.2379 -3.9197 -3.9099 -3.8778 -3.8704 -2.0740 -2.0697 -2.0533 -2.0011 -1.9622 -1.9449 -1.8644 -1.8377 -1.5783 -1.4573 -1.4013 -1.3592 -1.3331 -1.3261 -1.2592 -1.2420 -1.2194 -1.2164 -1.1563 -1.1228 -0.4150 -0.4140 -0.0592 -0.0382 1.6584 1.6657 1.6802 1.6888 3.2711 3.2772 3.4149 3.4162 4.3826 4.3837 4.7027 4.7223 5.3968 5.4000 5.5175 5.5177 5.7309 5.7352 5.9221 5.9440 7.9985 8.0038 8.3403 8.3566 9.4842 9.4918 9.5692 9.5934 10.3396 10.3523 k = 0.3947 0.2976 0.6940 ( 4719 PWs) bands (ev): -5.4043 -5.4029 -5.2403 -5.2400 -3.9199 -3.9101 -3.8796 -3.8716 -2.0762 -2.0710 -2.0544 -2.0047 -1.9657 -1.9488 -1.8658 -1.8364 -1.5728 -1.4675 -1.3992 -1.3607 -1.3345 -1.3269 -1.2559 -1.2404 -1.2211 -1.2179 -1.1535 -1.1205 -0.4053 -0.4007 -0.0530 -0.0330 1.6927 1.7005 1.7131 1.7224 3.2237 3.2296 3.3665 3.3681 4.3839 4.3880 4.6865 4.7081 5.3899 5.3931 5.5163 5.5166 5.7268 5.7318 5.9523 5.9717 7.9683 7.9706 8.3211 8.3380 9.5312 9.5390 9.6291 9.6527 10.3168 10.3287 k = 0.4079 0.3075 0.6816 ( 4719 PWs) bands (ev): -5.4017 -5.4004 -5.2446 -5.2441 -3.9196 -3.9100 -3.8819 -3.8733 -2.0787 -2.0727 -2.0551 -2.0088 -1.9688 -1.9528 -1.8667 -1.8361 -1.5673 -1.4775 -1.3969 -1.3625 -1.3355 -1.3277 -1.2530 -1.2387 -1.2231 -1.2194 -1.1514 -1.1202 -0.3878 -0.3802 -0.0491 -0.0302 1.7258 1.7342 1.7453 1.7552 3.1814 3.1873 3.3199 3.3219 4.3850 4.3920 4.6633 4.6867 5.3858 5.3888 5.5148 5.5152 5.7218 5.7269 5.9723 5.9884 7.9512 7.9522 8.3028 8.3202 9.5781 9.5857 9.6873 9.7100 10.2921 10.3027 k = 0.4211 0.3174 0.6692 ( 4719 PWs) bands (ev): -5.3973 -5.3960 -5.2509 -5.2502 -3.9190 -3.9095 -3.8847 -3.8756 -2.0812 -2.0749 -2.0555 -2.0137 -1.9715 -1.9568 -1.8671 -1.8370 -1.5619 -1.4872 -1.3946 -1.3646 -1.3362 -1.3284 -1.2505 -1.2370 -1.2253 -1.2208 -1.1499 -1.1216 -0.3625 -0.3528 -0.0475 -0.0296 1.7572 1.7659 1.7761 1.7863 3.1452 3.1512 3.2762 3.2787 4.3854 4.3956 4.6339 4.6590 5.3845 5.3872 5.5122 5.5129 5.7168 5.7217 5.9795 5.9921 7.9471 7.9517 8.2855 8.3032 9.6244 9.6314 9.7427 9.7641 10.2651 10.2740 k = 0.4342 0.3273 0.6567 ( 4719 PWs) bands (ev): -5.3911 -5.3898 -5.2593 -5.2585 -3.9181 -3.9088 -3.8877 -3.8784 -2.0838 -2.0775 -2.0555 -2.0191 -1.9735 -1.9606 -1.8671 -1.8389 -1.5566 -1.4964 -1.3923 -1.3670 -1.3365 -1.3291 -1.2484 -1.2355 -1.2276 -1.2222 -1.1487 -1.1243 -0.3302 -0.3189 -0.0483 -0.0313 1.7859 1.7949 1.8047 1.8150 3.1161 3.1223 3.2363 3.2394 4.3850 4.3984 4.5994 4.6257 5.3860 5.3884 5.5075 5.5085 5.7133 5.7177 5.9728 5.9818 7.9590 7.9670 8.2693 8.2872 9.6699 9.6760 9.7937 9.8135 10.2356 10.2426 k = 0.4474 0.3372 0.6443 ( 4723 PWs) bands (ev): -5.3831 -5.3818 -5.2698 -5.2689 -3.9167 -3.9078 -3.8907 -3.8816 -2.0865 -2.0805 -2.0553 -2.0252 -1.9750 -1.9643 -1.8665 -1.8419 -1.5514 -1.5050 -1.3900 -1.3696 -1.3364 -1.3297 -1.2469 -1.2352 -1.2291 -1.2234 -1.1476 -1.1279 -0.2916 -0.2794 -0.0512 -0.0353 1.8116 1.8205 1.8303 1.8404 3.0949 3.1011 3.2010 3.2047 4.3837 4.4002 4.5604 4.5876 5.3901 5.3921 5.4996 5.5007 5.7128 5.7163 5.9518 5.9576 7.9864 7.9975 8.2543 8.2724 9.7140 9.7189 9.8382 9.8561 10.2049 10.2097 k = 0.4605 0.3471 0.6319 ( 4721 PWs) bands (ev): -5.3732 -5.3720 -5.2824 -5.2813 -3.9151 -3.9069 -3.8936 -3.8850 -2.0890 -2.0838 -2.0547 -2.0316 -1.9759 -1.9678 -1.8654 -1.8456 -1.5464 -1.5129 -1.3878 -1.3725 -1.3358 -1.3302 -1.2461 -1.2369 -1.2288 -1.2242 -1.1467 -1.1319 -0.2477 -0.2351 -0.0562 -0.0413 1.8338 1.8421 1.8525 1.8618 3.0820 3.0882 3.1709 3.1750 4.3814 4.4010 4.5176 4.5454 5.3964 5.3981 5.4875 5.4885 5.7165 5.7188 5.9178 5.9207 8.0275 8.0413 8.2406 8.2587 9.7563 9.7600 9.8727 9.8884 10.1757 10.1787 k = 0.4737 0.3571 0.6195 ( 4720 PWs) bands (ev): -5.3615 -5.3603 -5.2970 -5.2959 -3.9131 -3.9064 -3.8955 -3.8885 -2.0915 -2.0875 -2.0540 -2.0384 -1.9763 -1.9709 -1.8640 -1.8500 -1.5416 -1.5202 -1.3858 -1.3756 -1.3348 -1.3307 -1.2458 -1.2400 -1.2274 -1.2246 -1.1456 -1.1360 -0.1995 -0.1871 -0.0630 -0.0492 1.8524 1.8593 1.8714 1.8789 3.0775 3.0832 3.1467 3.1509 4.3782 4.4006 4.4718 4.4997 5.4046 5.4059 5.4708 5.4718 5.7249 5.7258 5.8728 5.8735 8.0801 8.0959 8.2283 8.2463 9.7960 9.7986 9.8923 9.9048 10.1536 10.1556 k = 0.4868 0.3670 0.6071 ( 4726 PWs) bands (ev): -5.3479 -5.3468 -5.3137 -5.3126 -3.9110 -3.9071 -3.8959 -3.8917 -2.0937 -2.0914 -2.0532 -2.0454 -1.9763 -1.9736 -1.8621 -1.8549 -1.5370 -1.5267 -1.3840 -1.3789 -1.3333 -1.3311 -1.2463 -1.2435 -1.2258 -1.2246 -1.1444 -1.1397 -0.1491 -0.1381 -0.0697 -0.0581 1.8677 1.8719 1.8870 1.8915 3.0802 3.0845 3.1299 3.1333 4.3742 4.3978 4.4248 4.4511 5.4133 5.4143 5.4502 5.4510 5.7368 5.7372 5.8195 5.8203 8.1412 8.1583 8.2172 8.2352 9.8315 9.8335 9.8923 9.9002 10.1451 10.1475 k = 0.5000 0.3769 0.5946 ( 4726 PWs) bands (ev): -5.3334 -5.3334 -5.3303 -5.3303 -3.9088 -3.9088 -3.8945 -3.8945 -2.0956 -2.0956 -2.0524 -2.0524 -1.9759 -1.9759 -1.8599 -1.8599 -1.5326 -1.5326 -1.3825 -1.3825 -1.3314 -1.3314 -1.2472 -1.2472 -1.2242 -1.2242 -1.1429 -1.1429 -0.1043 -0.1043 -0.0611 -0.0611 1.8802 1.8802 1.8999 1.8999 3.0861 3.0861 3.1254 3.1254 4.3685 4.3685 4.4012 4.4012 5.4162 5.4162 5.4317 5.4317 5.7414 5.7414 5.7738 5.7738 8.2075 8.2075 8.2254 8.2254 9.8530 9.8530 9.8834 9.8834 10.1488 10.1488 k = 0.5000 0.3769 0.5946 ( 4726 PWs) bands (ev): -5.3334 -5.3334 -5.3303 -5.3303 -3.9088 -3.9088 -3.8945 -3.8945 -2.0956 -2.0956 -2.0524 -2.0524 -1.9759 -1.9759 -1.8599 -1.8599 -1.5326 -1.5326 -1.3825 -1.3825 -1.3314 -1.3314 -1.2472 -1.2472 -1.2242 -1.2242 -1.1429 -1.1429 -0.1043 -0.1043 -0.0611 -0.0611 1.8802 1.8802 1.8999 1.8999 3.0861 3.0861 3.1254 3.1254 4.3685 4.3685 4.4012 4.4012 5.4162 5.4162 5.4317 5.4317 5.7414 5.7414 5.7738 5.7738 8.2075 8.2075 8.2254 8.2254 9.8530 9.8530 9.8834 9.8834 10.1488 10.1488 k = 0.5000 0.3769 0.5734 ( 4722 PWs) bands (ev): -5.3365 -5.3365 -5.3335 -5.3335 -3.9086 -3.9086 -3.8944 -3.8944 -2.1007 -2.1007 -2.0577 -2.0577 -1.9767 -1.9767 -1.8623 -1.8623 -1.5334 -1.5334 -1.3845 -1.3845 -1.3296 -1.3296 -1.2512 -1.2512 -1.2223 -1.2223 -1.1441 -1.1441 -0.0690 -0.0690 -0.0264 -0.0264 1.8965 1.8965 1.9168 1.9168 3.0889 3.0889 3.1284 3.1284 4.3209 4.3209 4.3552 4.3552 5.3978 5.3978 5.4157 5.4157 5.7056 5.7056 5.7415 5.7415 8.2582 8.2582 8.2760 8.2760 9.8379 9.8379 9.8706 9.8706 10.1072 10.1072 k = 0.5000 0.3769 0.5522 ( 4722 PWs) bands (ev): -5.3401 -5.3401 -5.3371 -5.3371 -3.9077 -3.9077 -3.8937 -3.8937 -2.1057 -2.1057 -2.0631 -2.0631 -1.9767 -1.9767 -1.8646 -1.8646 -1.5338 -1.5338 -1.3866 -1.3866 -1.3274 -1.3274 -1.2550 -1.2550 -1.2205 -1.2205 -1.1451 -1.1451 -0.0358 -0.0358 0.0064 0.0064 1.9154 1.9154 1.9361 1.9361 3.0913 3.0913 3.1311 3.1311 4.2753 4.2753 4.3109 4.3109 5.3775 5.3775 5.3981 5.3981 5.6712 5.6712 5.7106 5.7106 8.3085 8.3085 8.3259 8.3259 9.8047 9.8047 9.8380 9.8380 10.0639 10.0639 k = 0.5000 0.3769 0.5309 ( 4730 PWs) bands (ev): -5.3441 -5.3441 -5.3412 -5.3412 -3.9061 -3.9061 -3.8924 -3.8924 -2.1104 -2.1104 -2.0681 -2.0681 -1.9762 -1.9762 -1.8667 -1.8667 -1.5338 -1.5338 -1.3887 -1.3887 -1.3249 -1.3249 -1.2585 -1.2585 -1.2189 -1.2189 -1.1459 -1.1459 -0.0057 -0.0057 0.0363 0.0363 1.9372 1.9372 1.9582 1.9582 3.0934 3.0934 3.1334 3.1334 4.2327 4.2327 4.2692 4.2692 5.3555 5.3555 5.3787 5.3787 5.6390 5.6390 5.6817 5.6817 8.3571 8.3571 8.3737 8.3737 9.7591 9.7591 9.7911 9.7911 10.0217 10.0217 k = 0.5000 0.3769 0.5097 ( 4726 PWs) bands (ev): -5.3487 -5.3487 -5.3458 -5.3458 -3.9036 -3.9036 -3.8902 -3.8902 -2.1148 -2.1148 -2.0728 -2.0728 -1.9752 -1.9752 -1.8683 -1.8683 -1.5335 -1.5335 -1.3908 -1.3908 -1.3223 -1.3223 -1.2617 -1.2617 -1.2175 -1.2175 -1.1464 -1.1464 0.0205 0.0205 0.0625 0.0625 1.9621 1.9621 1.9833 1.9833 3.0951 3.0951 3.1353 3.1353 4.1938 4.1938 4.2309 4.2309 5.3318 5.3318 5.3574 5.3574 5.6095 5.6095 5.6552 5.6552 8.4024 8.4024 8.4179 8.4179 9.7069 9.7069 9.7366 9.7366 9.9787 9.9787 k = 0.5000 0.3769 0.4885 ( 4732 PWs) bands (ev): -5.3537 -5.3537 -5.3509 -5.3509 -3.9002 -3.9002 -3.8872 -3.8872 -2.1188 -2.1188 -2.0768 -2.0768 -1.9738 -1.9738 -1.8695 -1.8695 -1.5330 -1.5330 -1.3928 -1.3928 -1.3195 -1.3195 -1.2645 -1.2645 -1.2164 -1.2164 -1.1466 -1.1466 0.0423 0.0423 0.0843 0.0843 1.9904 1.9904 2.0115 2.0115 3.0963 3.0963 3.1367 3.1367 4.1592 4.1592 4.1964 4.1964 5.3064 5.3064 5.3339 5.3339 5.5833 5.5833 5.6315 5.6315 8.4425 8.4425 8.4569 8.4569 9.6523 9.6523 9.6792 9.6792 9.9336 9.9336 k = 0.5000 0.3769 0.4672 ( 4724 PWs) bands (ev): -5.3592 -5.3592 -5.3565 -5.3565 -3.8959 -3.8959 -3.8832 -3.8832 -2.1223 -2.1223 -2.0802 -2.0802 -1.9721 -1.9721 -1.8699 -1.8699 -1.5323 -1.5323 -1.3946 -1.3946 -1.3167 -1.3167 -1.2668 -1.2668 -1.2157 -1.2157 -1.1465 -1.1465 0.0589 0.0589 0.1010 0.1010 2.0222 2.0222 2.0429 2.0429 3.0969 3.0969 3.1375 3.1375 4.1294 4.1294 4.1664 4.1664 5.2795 5.2795 5.3085 5.3085 5.5607 5.5607 5.6107 5.6107 8.4757 8.4757 8.4889 8.4889 9.5978 9.5978 9.6222 9.6222 9.8871 9.8871 k = 0.5000 0.3769 0.4460 ( 4722 PWs) bands (ev): -5.3652 -5.3652 -5.3625 -5.3625 -3.8908 -3.8908 -3.8783 -3.8783 -2.1254 -2.1254 -2.0828 -2.0828 -1.9700 -1.9700 -1.8697 -1.8697 -1.5316 -1.5316 -1.3962 -1.3962 -1.3139 -1.3139 -1.2687 -1.2687 -1.2153 -1.2153 -1.1460 -1.1460 0.0700 0.0700 0.1123 0.1123 2.0575 2.0575 2.0777 2.0777 3.0971 3.0971 3.1378 3.1378 4.1047 4.1047 4.1412 4.1412 5.2513 5.2513 5.2813 5.2813 5.5418 5.5418 5.5929 5.5929 8.5001 8.5001 8.5126 8.5126 9.5446 9.5446 9.5670 9.5670 9.8410 9.8410 k = 0.5000 0.3769 0.4247 ( 4718 PWs) bands (ev): -5.3715 -5.3715 -5.3690 -5.3690 -3.8849 -3.8849 -3.8725 -3.8725 -2.1280 -2.1280 -2.0847 -2.0847 -1.9678 -1.9678 -1.8688 -1.8688 -1.5308 -1.5308 -1.3976 -1.3976 -1.3112 -1.3112 -1.2701 -1.2701 -1.2151 -1.2151 -1.1450 -1.1450 0.0752 0.0752 0.1177 0.1177 2.0962 2.0962 2.1156 2.1156 3.0968 3.0968 3.1376 3.1376 4.0855 4.0855 4.1211 4.1211 5.2222 5.2222 5.2525 5.2525 5.5265 5.5265 5.5782 5.5782 8.5141 8.5141 8.5268 8.5268 9.4921 9.4921 9.5140 9.5140 9.7982 9.7982 k = 0.5000 0.3769 0.4035 ( 4710 PWs) bands (ev): -5.3783 -5.3783 -5.3758 -5.3758 -3.8782 -3.8782 -3.8658 -3.8658 -2.1300 -2.1300 -2.0859 -2.0859 -1.9652 -1.9652 -1.8670 -1.8670 -1.5300 -1.5300 -1.3988 -1.3988 -1.3086 -1.3086 -1.2709 -1.2709 -1.2153 -1.2153 -1.1437 -1.1437 0.0746 0.0746 0.1172 0.1172 2.1381 2.1381 2.1566 2.1566 3.0960 3.0960 3.1370 3.1370 4.0718 4.0718 4.1062 4.1062 5.1923 5.1923 5.2225 5.2225 5.5147 5.5147 5.5664 5.5664 8.5171 8.5171 8.5307 8.5307 9.4395 9.4395 9.4619 9.4619 9.7618 9.7618 k = 0.5000 0.3769 0.3823 ( 4718 PWs) bands (ev): -5.3853 -5.3853 -5.3830 -5.3830 -3.8707 -3.8707 -3.8583 -3.8583 -2.1315 -2.1315 -2.0864 -2.0864 -1.9622 -1.9622 -1.8646 -1.8646 -1.5292 -1.5292 -1.3997 -1.3997 -1.3062 -1.3062 -1.2711 -1.2711 -1.2156 -1.2156 -1.1419 -1.1419 0.0680 0.0680 0.1108 0.1108 2.1829 2.1829 2.2003 2.2003 3.0949 3.0949 3.1359 3.1359 4.0637 4.0637 4.0967 4.0967 5.1619 5.1619 5.1918 5.1918 5.5062 5.5062 5.5574 5.5574 8.5094 8.5094 8.5244 8.5244 9.3853 9.3853 9.4089 9.4089 9.7346 9.7346 k = 0.5000 0.3769 0.3610 ( 4726 PWs) bands (ev): -5.3926 -5.3926 -5.3904 -5.3904 -3.8626 -3.8626 -3.8500 -3.8500 -2.1325 -2.1325 -2.0863 -2.0863 -1.9589 -1.9589 -1.8613 -1.8613 -1.5284 -1.5284 -1.4004 -1.4004 -1.3040 -1.3040 -1.2707 -1.2707 -1.2162 -1.2162 -1.1398 -1.1398 0.0559 0.0559 0.0988 0.0988 2.2301 2.2301 2.2462 2.2462 3.0934 3.0934 3.1344 3.1344 4.0611 4.0611 4.0924 4.0924 5.1314 5.1314 5.1606 5.1606 5.5005 5.5005 5.5511 5.5511 8.4924 8.4924 8.5085 8.5085 9.3287 9.3287 9.3531 9.3531 9.7178 9.7178 k = 0.5000 0.3769 0.3398 ( 4722 PWs) bands (ev): -5.4001 -5.4001 -5.3979 -5.3979 -3.8539 -3.8539 -3.8411 -3.8411 -2.1328 -2.1328 -2.0857 -2.0857 -1.9552 -1.9552 -1.8574 -1.8574 -1.5276 -1.5276 -1.4009 -1.4009 -1.3020 -1.3020 -1.2697 -1.2697 -1.2168 -1.2168 -1.1373 -1.1373 0.0386 0.0386 0.0815 0.0815 2.2791 2.2791 2.2941 2.2941 3.0916 3.0916 3.1325 3.1325 4.0639 4.0639 4.0933 4.0933 5.1008 5.1008 5.1293 5.1293 5.4977 5.4977 5.5473 5.5473 8.4679 8.4679 8.4847 8.4847 9.2694 9.2694 9.2940 9.2940 9.7111 9.7111 k = 0.5000 0.3769 0.3186 ( 4722 PWs) bands (ev): -5.4076 -5.4076 -5.4055 -5.4055 -3.8447 -3.8447 -3.8317 -3.8317 -2.1325 -2.1325 -2.0849 -2.0849 -1.9510 -1.9510 -1.8530 -1.8530 -1.5267 -1.5267 -1.4013 -1.4013 -1.3003 -1.3003 -1.2681 -1.2681 -1.2174 -1.2174 -1.1344 -1.1344 0.0165 0.0165 0.0594 0.0594 2.3294 2.3294 2.3432 2.3432 3.0895 3.0895 3.1303 3.1303 4.0719 4.0719 4.0994 4.0994 5.0704 5.0704 5.0980 5.0980 5.4973 5.4973 5.5458 5.5458 8.4379 8.4379 8.4549 8.4549 9.2080 9.2080 9.2320 9.2320 9.7122 9.7122 k = 0.5000 0.3769 0.2973 ( 4718 PWs) bands (ev): -5.4152 -5.4152 -5.4132 -5.4132 -3.8352 -3.8352 -3.8220 -3.8220 -2.1316 -2.1316 -2.0838 -2.0838 -1.9462 -1.9462 -1.8480 -1.8480 -1.5256 -1.5256 -1.4017 -1.4017 -1.2985 -1.2985 -1.2660 -1.2660 -1.2179 -1.2179 -1.1313 -1.1313 -0.0096 -0.0096 0.0331 0.0331 2.3802 2.3802 2.3932 2.3932 3.0870 3.0870 3.1277 3.1277 4.0850 4.0850 4.1103 4.1103 5.0401 5.0401 5.0668 5.0668 5.4992 5.4992 5.5464 5.5464 8.4047 8.4047 8.4213 8.4213 9.1451 9.1451 9.1681 9.1681 9.7184 9.7184 k = 0.5000 0.3769 0.2761 ( 4714 PWs) bands (ev): -5.4226 -5.4226 -5.4208 -5.4208 -3.8255 -3.8255 -3.8121 -3.8121 -2.1302 -2.1302 -2.0826 -2.0826 -1.9408 -1.9408 -1.8427 -1.8427 -1.5243 -1.5243 -1.4021 -1.4021 -1.2968 -1.2968 -1.2635 -1.2635 -1.2182 -1.2182 -1.1279 -1.1279 -0.0392 -0.0392 0.0033 0.0033 2.4309 2.4309 2.4436 2.4436 3.0840 3.0840 3.1245 3.1245 4.1027 4.1027 4.1258 4.1258 5.0102 5.0102 5.0357 5.0357 5.5031 5.5031 5.5489 5.5489 8.3701 8.3701 8.3857 8.3857 9.0814 9.0814 9.1033 9.1033 9.7271 9.7271 k = 0.5000 0.3769 0.2548 ( 4704 PWs) bands (ev): -5.4299 -5.4299 -5.4282 -5.4282 -3.8156 -3.8156 -3.8023 -3.8023 -2.1283 -2.1283 -2.0815 -2.0815 -1.9348 -1.9348 -1.8373 -1.8373 -1.5227 -1.5227 -1.4026 -1.4026 -1.2949 -1.2949 -1.2608 -1.2608 -1.2179 -1.2179 -1.1243 -1.1243 -0.0713 -0.0713 -0.0293 -0.0293 2.4808 2.4808 2.4937 2.4937 3.0804 3.0804 3.1207 3.1207 4.1248 4.1248 4.1458 4.1458 4.9805 4.9805 5.0050 5.0050 5.5089 5.5089 5.5530 5.5530 8.3358 8.3358 8.3501 8.3501 9.0177 9.0177 9.0384 9.0384 9.7358 9.7358 k = 0.5000 0.3769 0.2336 ( 4700 PWs) bands (ev): -5.4370 -5.4370 -5.4353 -5.4353 -3.8057 -3.8057 -3.7925 -3.7925 -2.1259 -2.1259 -2.0805 -2.0805 -1.9282 -1.9282 -1.8320 -1.8320 -1.5206 -1.5206 -1.4036 -1.4036 -1.2927 -1.2927 -1.2581 -1.2581 -1.2170 -1.2170 -1.1207 -1.1207 -0.1053 -0.1053 -0.0640 -0.0640 2.5294 2.5294 2.5432 2.5432 3.0761 3.0761 3.1162 3.1162 4.1508 4.1508 4.1698 4.1698 4.9511 4.9511 4.9744 4.9744 5.5162 5.5162 5.5584 5.5584 8.3034 8.3034 8.3159 8.3159 8.9546 8.9546 8.9741 8.9741 9.7422 9.7422 k = 0.5000 0.3769 0.2124 ( 4690 PWs) bands (ev): -5.4437 -5.4437 -5.4422 -5.4422 -3.7960 -3.7960 -3.7831 -3.7831 -2.1231 -2.1231 -2.0797 -2.0797 -1.9209 -1.9209 -1.8269 -1.8269 -1.5180 -1.5180 -1.4050 -1.4050 -1.2903 -1.2903 -1.2557 -1.2557 -1.2149 -1.2149 -1.1170 -1.1170 -0.1404 -0.1404 -0.0999 -0.0999 2.5764 2.5764 2.5915 2.5915 3.0709 3.0709 3.1106 3.1106 4.1804 4.1804 4.1974 4.1974 4.9219 4.9219 4.9439 4.9439 5.5248 5.5248 5.5649 5.5649 8.2740 8.2740 8.2846 8.2846 8.8925 8.8925 8.9107 8.9107 9.7442 9.7442 k = 0.5000 0.3769 0.1911 ( 4698 PWs) bands (ev): -5.4501 -5.4501 -5.4486 -5.4486 -3.7866 -3.7866 -3.7742 -3.7742 -2.1201 -2.1201 -2.0793 -2.0793 -1.9131 -1.9131 -1.8224 -1.8224 -1.5147 -1.5147 -1.4070 -1.4070 -1.2876 -1.2876 -1.2539 -1.2539 -1.2113 -1.2113 -1.1135 -1.1135 -0.1756 -0.1756 -0.1363 -0.1363 2.6214 2.6214 2.6382 2.6382 3.0645 3.0645 3.1039 3.1039 4.2130 4.2130 4.2283 4.2283 4.8928 4.8928 4.9136 4.9136 5.5344 5.5344 5.5721 5.5721 8.2486 8.2486 8.2571 8.2571 8.8317 8.8317 8.8488 8.8488 9.7400 9.7400 k = 0.5000 0.3769 0.1699 ( 4698 PWs) bands (ev): -5.4559 -5.4559 -5.4546 -5.4546 -3.7776 -3.7776 -3.7660 -3.7660 -2.1167 -2.1167 -2.0791 -2.0791 -1.9047 -1.9047 -1.8188 -1.8188 -1.5107 -1.5107 -1.4097 -1.4097 -1.2846 -1.2846 -1.2528 -1.2528 -1.2060 -1.2060 -1.1104 -1.1104 -0.2101 -0.2101 -0.1724 -0.1724 2.6642 2.6642 2.6830 2.6830 3.0570 3.0570 3.0959 3.0959 4.2480 4.2480 4.2619 4.2619 4.8637 4.8637 4.8833 4.8833 5.5446 5.5446 5.5795 5.5795 8.2281 8.2281 8.2343 8.2343 8.7725 8.7725 8.7885 8.7885 9.7276 9.7276 k = 0.5000 0.3769 0.1487 ( 4698 PWs) bands (ev): -5.4612 -5.4612 -5.4601 -5.4601 -3.7692 -3.7692 -3.7585 -3.7585 -2.1133 -2.1133 -2.0793 -2.0793 -1.8958 -1.8958 -1.8161 -1.8161 -1.5059 -1.5059 -1.4131 -1.4131 -1.2815 -1.2815 -1.2524 -1.2524 -1.1990 -1.1990 -1.1079 -1.1079 -0.2429 -0.2429 -0.2075 -0.2075 2.7048 2.7048 2.7255 2.7255 3.0480 3.0480 3.0864 3.0864 4.2848 4.2848 4.2975 4.2975 4.8347 4.8347 4.8530 4.8530 5.5551 5.5551 5.5869 5.5869 8.2129 8.2129 8.2170 8.2170 8.7154 8.7154 8.7302 8.7302 9.7063 9.7063 k = 0.5000 0.3769 0.1274 ( 4704 PWs) bands (ev): -5.4659 -5.4659 -5.4649 -5.4649 -3.7615 -3.7615 -3.7518 -3.7518 -2.1097 -2.1097 -2.0798 -2.0798 -1.8867 -1.8867 -1.8147 -1.8147 -1.5003 -1.5003 -1.4173 -1.4173 -1.2784 -1.2784 -1.2527 -1.2527 -1.1905 -1.1905 -1.1062 -1.1062 -0.2733 -0.2733 -0.2406 -0.2406 2.7430 2.7430 2.7655 2.7655 3.0376 3.0376 3.0752 3.0752 4.3226 4.3226 4.3345 4.3345 4.8055 4.8055 4.8226 4.8226 5.5655 5.5655 5.5938 5.5938 8.2034 8.2034 8.2056 8.2056 8.6607 8.6607 8.6744 8.6744 9.6771 9.6771 k = 0.5000 0.3769 0.1062 ( 4708 PWs) bands (ev): -5.4700 -5.4700 -5.4692 -5.4692 -3.7546 -3.7546 -3.7462 -3.7462 -2.1062 -2.1062 -2.0807 -2.0807 -1.8773 -1.8773 -1.8146 -1.8146 -1.4940 -1.4940 -1.4222 -1.4222 -1.2753 -1.2753 -1.2535 -1.2535 -1.1806 -1.1806 -1.1056 -1.1056 -0.3002 -0.3002 -0.2711 -0.2711 2.7787 2.7787 2.8030 2.8030 3.0256 3.0256 3.0624 3.0624 4.3607 4.3607 4.3719 4.3719 4.7765 4.7765 4.7922 4.7922 5.5755 5.5755 5.5999 5.5999 8.1992 8.1992 8.2004 8.2004 8.6091 8.6091 8.6216 8.6216 9.6431 9.6431 k = 0.5000 0.3769 0.0849 ( 4702 PWs) bands (ev): -5.4734 -5.4734 -5.4727 -5.4727 -3.7486 -3.7486 -3.7417 -3.7417 -2.1027 -2.1027 -2.0820 -2.0820 -1.8680 -1.8680 -1.8159 -1.8159 -1.4871 -1.4871 -1.4279 -1.4279 -1.2723 -1.2723 -1.2547 -1.2547 -1.1698 -1.1698 -1.1064 -1.1064 -0.3228 -0.3228 -0.2981 -0.2981 2.8119 2.8119 2.8375 2.8375 3.0123 3.0123 3.0479 3.0479 4.3981 4.3981 4.4088 4.4088 4.7477 4.7477 4.7621 4.7621 5.5847 5.5847 5.6049 5.6049 8.1995 8.1995 8.2015 8.2015 8.5616 8.5616 8.5727 8.5727 9.6087 9.6087 k = 0.5000 0.3769 0.0637 ( 4696 PWs) bands (ev): -5.4760 -5.4760 -5.4755 -5.4755 -3.7436 -3.7436 -3.7383 -3.7383 -2.0993 -2.0993 -2.0835 -2.0835 -1.8589 -1.8589 -1.8187 -1.8187 -1.4796 -1.4796 -1.4342 -1.4342 -1.2695 -1.2695 -1.2562 -1.2562 -1.1586 -1.1586 -1.1089 -1.1089 -0.3405 -0.3405 -0.3209 -0.3209 2.8424 2.8424 2.8686 2.8686 2.9980 2.9980 3.0316 3.0316 4.4336 4.4336 4.4435 4.4435 4.7202 4.7202 4.7329 4.7329 5.5929 5.5929 5.6084 5.6084 8.2043 8.2043 8.2069 8.2069 8.5198 8.5198 8.5292 8.5292 9.5782 9.5782 k = 0.5000 0.3769 0.0425 ( 4670 PWs) bands (ev): -5.4779 -5.4779 -5.4775 -5.4775 -3.7397 -3.7397 -3.7361 -3.7361 -2.0960 -2.0960 -2.0855 -2.0855 -1.8501 -1.8501 -1.8227 -1.8227 -1.4719 -1.4719 -1.4411 -1.4411 -1.2668 -1.2668 -1.2579 -1.2579 -1.1475 -1.1475 -1.1132 -1.1132 -0.3525 -0.3525 -0.3389 -0.3389 2.8699 2.8699 2.8950 2.8950 2.9839 2.9839 3.0140 3.0140 4.4653 4.4653 4.4737 4.4737 4.6958 4.6958 4.7060 4.7060 5.5997 5.5997 5.6103 5.6103 8.2118 8.2118 8.2145 8.2145 8.4862 8.4862 8.4934 8.4934 9.5549 9.5549 k = 0.5000 0.3769 0.0212 ( 4666 PWs) bands (ev): -5.4790 -5.4790 -5.4788 -5.4788 -3.7370 -3.7370 -3.7352 -3.7352 -2.0930 -2.0930 -2.0877 -2.0877 -1.8420 -1.8420 -1.8281 -1.8281 -1.4640 -1.4640 -1.4484 -1.4484 -1.2643 -1.2643 -1.2598 -1.2598 -1.1369 -1.1369 -1.1195 -1.1195 -0.3584 -0.3584 -0.3514 -0.3514 2.8936 2.8936 2.9119 2.9119 2.9750 2.9750 2.9957 2.9957 4.4897 4.4897 4.4949 4.4949 4.6784 4.6784 4.6845 4.6845 5.6050 5.6050 5.6103 5.6103 8.2192 8.2192 8.2210 8.2210 8.4644 8.4644 8.4684 8.4684 9.5409 9.5409 k = 0.5000 0.3769 0.0000 ( 4672 PWs) bands (ev): -5.4793 -5.4793 -5.4793 -5.4793 -3.7355 -3.7355 -3.7355 -3.7355 -2.0902 -2.0902 -2.0902 -2.0902 -1.8345 -1.8345 -1.8345 -1.8345 -1.4561 -1.4561 -1.4561 -1.4561 -1.2620 -1.2620 -1.2620 -1.2620 -1.1274 -1.1274 -1.1274 -1.1274 -0.3580 -0.3580 -0.3580 -0.3580 2.9104 2.9104 2.9104 2.9104 2.9799 2.9799 2.9799 2.9799 4.5011 4.5011 4.5011 4.5011 4.6738 4.6738 4.6738 4.6738 5.6086 5.6086 5.6086 5.6086 8.2230 8.2230 8.2230 8.2230 8.4580 8.4580 8.4580 8.4580 9.5374 9.5374 k = 0.0000 0.0000 0.8306 ( 4724 PWs) bands (ev): -5.3209 -5.3209 -5.3182 -5.3182 -3.8959 -3.8959 -3.8850 -3.8850 -2.0552 -2.0552 -2.0330 -2.0330 -1.9106 -1.9106 -1.8752 -1.8752 -1.5052 -1.5052 -1.3772 -1.3772 -1.3203 -1.3203 -1.2601 -1.2601 -1.1897 -1.1897 -1.1407 -1.1407 -0.3864 -0.3864 -0.3368 -0.3368 1.8116 1.8116 1.8240 1.8240 3.0630 3.0630 3.1003 3.1003 4.7457 4.7457 4.7517 4.7517 5.5125 5.5125 5.5189 5.5189 6.0163 6.0163 6.0248 6.0248 7.8839 7.8839 7.8869 7.8869 9.4826 9.4826 9.4887 9.4887 10.4629 10.4629 k = 0.0167 0.0126 0.8306 ( 4726 PWs) bands (ev): -5.3210 -5.3208 -5.3184 -5.3180 -3.8970 -3.8948 -3.8858 -3.8843 -2.0562 -2.0542 -2.0367 -2.0291 -1.9148 -1.9062 -1.8793 -1.8714 -1.5159 -1.4946 -1.3806 -1.3738 -1.3213 -1.3194 -1.2614 -1.2589 -1.1906 -1.1892 -1.1442 -1.1384 -0.3860 -0.3838 -0.3392 -0.3318 1.8066 1.8066 1.8186 1.8194 3.0683 3.0715 3.1059 3.1083 4.7432 4.7448 4.7499 4.7501 5.5123 5.5129 5.5182 5.5198 6.0109 6.0128 6.0180 6.0228 7.8880 7.8912 7.8914 7.8941 9.4803 9.4809 9.4862 9.4867 10.4615 10.4641 k = 0.0333 0.0251 0.8306 ( 4716 PWs) bands (ev): -5.3210 -5.3207 -5.3186 -5.3177 -3.8981 -3.8938 -3.8866 -3.8837 -2.0572 -2.0532 -2.0402 -2.0250 -1.9188 -1.9017 -1.8835 -1.8679 -1.5266 -1.4841 -1.3839 -1.3705 -1.3224 -1.3185 -1.2629 -1.2577 -1.1919 -1.1890 -1.1488 -1.1373 -0.3827 -0.3783 -0.3391 -0.3244 1.7920 1.7921 1.8038 1.8054 3.0872 3.0936 3.1248 3.1296 4.7372 4.7405 4.7448 4.7451 5.5123 5.5136 5.5176 5.5208 5.9970 6.0006 6.0027 6.0119 7.9036 7.9070 7.9101 7.9125 9.4740 9.4751 9.4791 9.4801 10.4601 10.4653 k = 0.0500 0.0377 0.8306 ( 4710 PWs) bands (ev): -5.3210 -5.3206 -5.3187 -5.3175 -3.8992 -3.8928 -3.8874 -3.8832 -2.0581 -2.0522 -2.0435 -2.0208 -1.9225 -1.8971 -1.8879 -1.8647 -1.5372 -1.4738 -1.3873 -1.3672 -1.3235 -1.3177 -1.2645 -1.2566 -1.1934 -1.1891 -1.1542 -1.1374 -0.3766 -0.3703 -0.3365 -0.3147 1.7690 1.7694 1.7806 1.7830 3.1184 3.1278 3.1557 3.1629 4.7278 4.7329 4.7363 4.7366 5.5125 5.5146 5.5171 5.5220 5.9753 5.9799 5.9806 5.9931 7.9299 7.9333 7.9392 7.9414 9.4635 9.4653 9.4674 9.4690 10.4590 10.4667 k = 0.0667 0.0503 0.8306 ( 4702 PWs) bands (ev): -5.3211 -5.3204 -5.3189 -5.3173 -3.9003 -3.8918 -3.8883 -3.8828 -2.0591 -2.0513 -2.0466 -2.0165 -1.9259 -1.8926 -1.8924 -1.8619 -1.5475 -1.4637 -1.3906 -1.3640 -1.3247 -1.3169 -1.2664 -1.2556 -1.1952 -1.1894 -1.1602 -1.1386 -0.3679 -0.3599 -0.3316 -0.3030 1.7394 1.7402 1.7508 1.7540 3.1600 3.1725 3.1968 3.2065 4.7147 4.7218 4.7242 4.7244 5.5129 5.5160 5.5169 5.5235 5.9472 5.9510 5.9541 5.9674 7.9659 7.9691 7.9774 7.9795 9.4489 9.4509 9.4513 9.4532 10.4585 10.4686 k = 0.0833 0.0628 0.8306 ( 4718 PWs) bands (ev): -5.3211 -5.3203 -5.3191 -5.3171 -3.9013 -3.8909 -3.8892 -3.8825 -2.0600 -2.0504 -2.0494 -2.0121 -1.9289 -1.8970 -1.8881 -1.8594 -1.5575 -1.4540 -1.3939 -1.3611 -1.3258 -1.3161 -1.2685 -1.2545 -1.1973 -1.1898 -1.1667 -1.1408 -0.3572 -0.3475 -0.3247 -0.2897 1.7050 1.7065 1.7163 1.7203 3.2100 3.2256 3.2462 3.2585 4.6978 4.7072 4.7085 4.7087 5.5135 5.5168 5.5180 5.5253 5.9142 5.9177 5.9226 5.9363 8.0101 8.0129 8.0232 8.0252 9.4297 9.4299 9.4328 9.4330 10.4590 10.4715 k = 0.1000 0.0754 0.8306 ( 4716 PWs) bands (ev): -5.3210 -5.3201 -5.3192 -5.3168 -3.9023 -3.8901 -3.8900 -3.8823 -2.0608 -2.0520 -2.0495 -2.0078 -1.9316 -1.9015 -1.8838 -1.8573 -1.5671 -1.4446 -1.3971 -1.3585 -1.3267 -1.3154 -1.2710 -1.2535 -1.1994 -1.1903 -1.1734 -1.1438 -0.3447 -0.3338 -0.3162 -0.2751 1.6678 1.6701 1.6789 1.6837 3.2662 3.2852 3.3017 3.3168 4.6771 4.6887 4.6890 4.6895 5.5144 5.5170 5.5206 5.5276 5.8780 5.8815 5.8878 5.9013 8.0609 8.0632 8.0750 8.0771 9.4039 9.4067 9.4080 9.4105 10.4612 10.4760 k = 0.1167 0.0879 0.8306 ( 4724 PWs) bands (ev): -5.3210 -5.3200 -5.3194 -5.3166 -3.9033 -3.8910 -3.8892 -3.8821 -2.0616 -2.0543 -2.0487 -2.0036 -1.9338 -1.9060 -1.8797 -1.8557 -1.5760 -1.4355 -1.4002 -1.3565 -1.3272 -1.3147 -1.2738 -1.2525 -1.2017 -1.1907 -1.1800 -1.1475 -0.3311 -0.3191 -0.3064 -0.2598 1.6296 1.6329 1.6406 1.6460 3.3268 3.3492 3.3615 3.3795 4.6526 4.6650 4.6669 4.6675 5.5157 5.5175 5.5239 5.5304 5.8402 5.8443 5.8514 5.8642 8.1166 8.1182 8.1311 8.1334 9.3737 9.3790 9.3794 9.3840 10.4653 10.4825 k = 0.1333 0.1005 0.8306 ( 4724 PWs) bands (ev): -5.3209 -5.3199 -5.3195 -5.3164 -3.9042 -3.8918 -3.8884 -3.8821 -2.0623 -2.0564 -2.0480 -1.9995 -1.9355 -1.9103 -1.8759 -1.8543 -1.5842 -1.4267 -1.4031 -1.3553 -1.3271 -1.3141 -1.2769 -1.2515 -1.2039 -1.1908 -1.1864 -1.1516 -0.3169 -0.3041 -0.2960 -0.2443 1.5921 1.5965 1.6028 1.6087 3.3895 3.4158 3.4234 3.4445 4.6246 4.6376 4.6411 4.6428 5.5173 5.5185 5.5282 5.5339 5.8021 5.8075 5.8150 5.8263 8.1755 8.1763 8.1897 8.1923 9.3396 9.3464 9.3484 9.3539 10.4715 10.4913 k = 0.1500 0.1131 0.8306 ( 4724 PWs) bands (ev): -5.3209 -5.3197 -5.3196 -5.3162 -3.9050 -3.8926 -3.8877 -3.8822 -2.0629 -2.0582 -2.0473 -1.9956 -1.9367 -1.9145 -1.8725 -1.8534 -1.5916 -1.4183 -1.4058 -1.3554 -1.3261 -1.3135 -1.2803 -1.2505 -1.2061 -1.1923 -1.1907 -1.1561 -0.3027 -0.2894 -0.2855 -0.2292 1.5565 1.5622 1.5670 1.5733 3.4524 3.4830 3.4854 3.5099 4.5935 4.6070 4.6127 4.6156 5.5194 5.5199 5.5336 5.5384 5.7651 5.7725 5.7801 5.7890 8.2355 8.2358 8.2490 8.2520 9.3025 9.3111 9.3145 9.3209 10.4799 10.5024 k = 0.1667 0.1256 0.8306 ( 4732 PWs) bands (ev): -5.3208 -5.3197 -5.3196 -5.3161 -3.9057 -3.8932 -3.8870 -3.8823 -2.0634 -2.0597 -2.0467 -1.9921 -1.9374 -1.9185 -1.8694 -1.8527 -1.5981 -1.4103 -1.4083 -1.3566 -1.3241 -1.3129 -1.2840 -1.2496 -1.2081 -1.1976 -1.1902 -1.1606 -0.2892 -0.2756 -0.2753 -0.2150 1.5242 1.5312 1.5344 1.5410 3.5134 3.5455 3.5488 3.5734 4.5605 4.5739 4.5826 4.5867 5.5218 5.5219 5.5402 5.5439 5.7303 5.7406 5.7478 5.7534 8.2938 8.2952 8.3069 8.3104 9.2637 9.2743 9.2788 9.2862 10.4902 10.5159 k = 0.1833 0.1382 0.8306 ( 4730 PWs) bands (ev): -5.3207 -5.3199 -5.3195 -5.3159 -3.9063 -3.8938 -3.8863 -3.8825 -2.0638 -2.0610 -2.0462 -1.9891 -1.9376 -1.9222 -1.8668 -1.8523 -1.6035 -1.4104 -1.4027 -1.3590 -1.3212 -1.3124 -1.2880 -1.2487 -1.2099 -1.2022 -1.1892 -1.1651 -0.2770 -0.2663 -0.2633 -0.2024 1.4962 1.5046 1.5061 1.5128 3.5699 3.6012 3.6108 3.6325 4.5271 4.5400 4.5525 4.5576 5.5242 5.5247 5.5483 5.5507 5.6982 5.7128 5.7192 5.7204 8.3490 8.3515 8.3610 8.3653 9.2249 9.2379 9.2430 9.2515 10.5017 10.5314 k = 0.2000 0.1508 0.8306 ( 4724 PWs) bands (ev): -5.3206 -5.3200 -5.3194 -5.3158 -3.9068 -3.8943 -3.8857 -3.8828 -2.0641 -2.0621 -2.0458 -1.9866 -1.9373 -1.9256 -1.8647 -1.8521 -1.6078 -1.4121 -1.3955 -1.3623 -1.3178 -1.3120 -1.2922 -1.2480 -1.2114 -1.2058 -1.1878 -1.1695 -0.2666 -0.2588 -0.2530 -0.1919 1.4735 1.4831 1.4832 1.4896 3.6191 3.6497 3.6661 3.6841 4.4959 4.5072 4.5243 4.5305 5.5269 5.5277 5.5578 5.5591 5.6696 5.6899 5.6907 5.6953 8.3982 8.4017 8.4084 8.4137 9.1886 9.2043 9.2094 9.2191 10.5134 10.5431 k = 0.2167 0.1633 0.8306 ( 4720 PWs) bands (ev): -5.3205 -5.3201 -5.3194 -5.3158 -3.9071 -3.8946 -3.8851 -3.8832 -2.0642 -2.0629 -2.0456 -1.9847 -1.9365 -1.9286 -1.8632 -1.8520 -1.6109 -1.4133 -1.3887 -1.3664 -1.3139 -1.3117 -1.2966 -1.2475 -1.2125 -1.2085 -1.1859 -1.1736 -0.2584 -0.2533 -0.2453 -0.1840 1.4567 1.4661 1.4678 1.4721 3.6578 3.6879 3.7112 3.7243 4.4702 4.4788 4.5009 4.5079 5.5296 5.5304 5.5684 5.5690 5.6449 5.6653 5.6729 5.6768 8.4382 8.4422 8.4457 8.4523 9.1583 9.1769 9.1810 9.1921 10.5237 10.5506 k = 0.2333 0.1759 0.8306 ( 4732 PWs) bands (ev): -5.3204 -5.3202 -5.3193 -5.3157 -3.9073 -3.8948 -3.8845 -3.8836 -2.0642 -2.0636 -2.0454 -1.9835 -1.9352 -1.9312 -1.8623 -1.8520 -1.6127 -1.4141 -1.3824 -1.3712 -1.3115 -1.3097 -1.3010 -1.2471 -1.2132 -1.2101 -1.1835 -1.1773 -0.2529 -0.2504 -0.2405 -0.1791 1.4464 1.4557 1.4588 1.4610 3.6828 3.7125 3.7422 3.7491 4.4537 4.4584 4.4851 4.4927 5.5318 5.5323 5.5787 5.5800 5.6249 5.6460 5.6626 5.6647 8.4653 8.4689 8.4693 8.4775 9.1377 9.1589 9.1613 9.1739 10.5310 10.5560 k = 0.2500 0.1885 0.8306 ( 4740 PWs) bands (ev): -5.3203 -5.3203 -5.3193 -5.3157 -3.9074 -3.8949 -3.8840 -3.8840 -2.0640 -2.0640 -2.0453 -1.9831 -1.9335 -1.9335 -1.8620 -1.8520 -1.6134 -1.4144 -1.3765 -1.3765 -1.3114 -1.3054 -1.3054 -1.2470 -1.2135 -1.2107 -1.1806 -1.1806 -0.2502 -0.2502 -0.2389 -0.1774 1.4429 1.4522 1.4565 1.4565 3.6915 3.7211 3.7554 3.7554 4.4494 4.4494 4.4796 4.4873 5.5328 5.5328 5.5838 5.5868 5.6151 5.6379 5.6598 5.6598 8.4761 8.4761 8.4783 8.4864 9.1304 9.1534 9.1534 9.1674 10.5337 10.5579 Writing output data file CdGeP2.save init_run : 3.97s CPU 13.04s WALL ( 1 calls) electrons : 1644.24s CPU 1656.63s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.48s CPU 1.78s WALL ( 1 calls) Called by electrons: c_bands : 1644.19s CPU 1656.29s WALL ( 1 calls) v_of_rho : 0.16s CPU 1.08s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.14s CPU 0.62s WALL ( 1 calls) newd : 1.50s CPU 1.62s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.14s WALL ( 274 calls) cegterg : 1542.94s CPU 1551.36s WALL ( 1022 calls) Called by sum_band: Called by *egterg: h_psi : 804.27s CPU 817.78s WALL ( 19201 calls) s_psi : 74.28s CPU 74.63s WALL ( 19201 calls) g_psi : 1.03s CPU 1.03s WALL ( 17905 calls) cdiaghg : 531.09s CPU 526.88s WALL ( 18179 calls) cegterg:over : 84.81s CPU 80.90s WALL ( 17905 calls) cegterg:upda : 22.12s CPU 27.33s WALL ( 17905 calls) cegterg:last : 15.71s CPU 16.43s WALL ( 2152 calls) Called by h_psi: h_psi:vloc : 658.94s CPU 669.96s WALL ( 19201 calls) h_psi:vnl : 144.69s CPU 146.48s WALL ( 19201 calls) add_vuspsi : 55.41s CPU 61.59s WALL ( 19201 calls) General routines calbec : 89.17s CPU 84.74s WALL ( 19201 calls) fft : 0.30s CPU 1.36s WALL ( 19 calls) ffts : 0.00s CPU 0.05s WALL ( 4 calls) fftw : 530.70s CPU 535.59s WALL ( 1619488 calls) interpolate : 0.03s CPU 0.09s WALL ( 4 calls) davcio : 0.03s CPU 2.31s WALL ( 548 calls) Parallel routines fft_scatter : 320.36s CPU 317.16s WALL ( 1619511 calls) PWSCF : 28m30.55s CPU 32m 7.97s WALL This run was terminated on: 20:52:54 14Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=