Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:43:22 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Ca2GeO4.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 79 46 13 1498 657 109 Max 80 47 14 1500 676 111 Sum 2869 1665 497 53969 23901 3975 bravais-lattice index = 14 lattice parameter (alat) = 12.2656 a.u. unit-cell volume = 548.7650 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.265559 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.837521 celldm(5)= -0.837521 celldm(6)= 0.675043 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.675043 0.737779 0.000000 ) a(3) = ( -0.837521 -0.368889 0.403086 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.914966 1.240429 ) b(2) = ( 0.000000 1.355420 1.240429 ) b(3) = ( 0.000000 0.000000 2.480857 ) PseudoPot. # 1 for Ge read from file: /users/gautes/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 O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 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. # 3 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 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) O 6.00 15.99940 O( 1.00) Ca 10.00 40.07800 Ca( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 371 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026954 k( 2) = ( 0.0000000 0.0000000 0.0203349), wk = 0.0026954 k( 3) = ( 0.0000000 0.0000000 0.0406698), wk = 0.0026954 k( 4) = ( 0.0000000 0.0000000 0.0610047), wk = 0.0026954 k( 5) = ( 0.0000000 0.0000000 0.0813396), wk = 0.0026954 k( 6) = ( 0.0000000 0.0000000 0.1016745), wk = 0.0026954 k( 7) = ( 0.0000000 0.0000000 0.1220094), wk = 0.0026954 k( 8) = ( 0.0000000 0.0000000 0.1423443), wk = 0.0026954 k( 9) = ( 0.0000000 0.0000000 0.1626792), wk = 0.0026954 k( 10) = ( 0.0000000 0.0000000 0.1830141), wk = 0.0026954 k( 11) = ( 0.0000000 0.0000000 0.2033490), wk = 0.0026954 k( 12) = ( 0.0000000 0.0000000 0.2236838), wk = 0.0026954 k( 13) = ( 0.0000000 0.0000000 0.2440188), wk = 0.0026954 k( 14) = ( 0.0000000 0.0000000 0.2643537), wk = 0.0026954 k( 15) = ( 0.0000000 0.0000000 0.2846885), wk = 0.0026954 k( 16) = ( 0.0000000 0.0000000 0.3050234), wk = 0.0026954 k( 17) = ( 0.0000000 0.0000000 0.3253583), wk = 0.0026954 k( 18) = ( 0.0000000 0.0000000 0.3456932), wk = 0.0026954 k( 19) = ( 0.0000000 0.0000000 0.3660281), wk = 0.0026954 k( 20) = ( 0.0000000 0.0000000 0.3863630), wk = 0.0026954 k( 21) = ( 0.0000000 0.0000000 0.4066979), wk = 0.0026954 k( 22) = ( 0.0000000 0.0000000 0.4270328), wk = 0.0026954 k( 23) = ( 0.0000000 0.0000000 0.4473677), wk = 0.0026954 k( 24) = ( 0.0000000 0.0000000 0.4677026), wk = 0.0026954 k( 25) = ( 0.0000000 0.0000000 0.4880375), wk = 0.0026954 k( 26) = ( 0.0000000 0.0000000 0.5083724), wk = 0.0026954 k( 27) = ( 0.0000000 0.0000000 0.5287073), wk = 0.0026954 k( 28) = ( 0.0000000 0.0000000 0.5490422), wk = 0.0026954 k( 29) = ( 0.0000000 0.0000000 0.5693771), wk = 0.0026954 k( 30) = ( 0.0000000 0.0000000 0.5897120), wk = 0.0026954 k( 31) = ( 0.0000000 0.0000000 0.6100469), wk = 0.0026954 k( 32) = ( 0.0000000 0.0000000 0.6303818), wk = 0.0026954 k( 33) = ( 0.0000000 0.0000000 0.6507167), wk = 0.0026954 k( 34) = ( 0.0000000 0.0000000 0.6710516), wk = 0.0026954 k( 35) = ( 0.0000000 0.0000000 0.6913865), wk = 0.0026954 k( 36) = ( 0.0000000 0.0000000 0.7117214), wk = 0.0026954 k( 37) = ( 0.0000000 0.0000000 0.7320563), wk = 0.0026954 k( 38) = ( 0.0000000 0.0000000 0.7523912), wk = 0.0026954 k( 39) = ( 0.0000000 0.0000000 0.7727261), wk = 0.0026954 k( 40) = ( 0.0000000 0.0000000 0.7930609), wk = 0.0026954 k( 41) = ( 0.0000000 0.0000000 0.8133958), wk = 0.0026954 k( 42) = ( 0.0000000 0.0000000 0.8337307), wk = 0.0026954 k( 43) = ( 0.0000000 0.0000000 0.8540656), wk = 0.0026954 k( 44) = ( 0.0000000 0.0000000 0.8744005), wk = 0.0026954 k( 45) = ( 0.0000000 0.0000000 0.8947354), wk = 0.0026954 k( 46) = ( 0.0000000 0.0000000 0.9150703), wk = 0.0026954 k( 47) = ( 0.0000000 0.0000000 0.9354052), wk = 0.0026954 k( 48) = ( 0.0000000 0.0000000 0.9557401), wk = 0.0026954 k( 49) = ( 0.0000000 0.0000000 0.9760750), wk = 0.0026954 k( 50) = ( 0.0000000 0.0000000 0.9964099), wk = 0.0026954 k( 51) = ( 0.0000000 0.0000000 1.0167448), wk = 0.0026954 k( 52) = ( 0.0000000 0.0000000 1.0370797), wk = 0.0026954 k( 53) = ( 0.0000000 0.0000000 1.0574146), wk = 0.0026954 k( 54) = ( 0.0000000 0.0000000 1.0777495), wk = 0.0026954 k( 55) = ( 0.0000000 0.0000000 1.0980844), wk = 0.0026954 k( 56) = ( 0.0000000 0.0000000 1.1184193), wk = 0.0026954 k( 57) = ( 0.0000000 0.0000000 1.1387542), wk = 0.0026954 k( 58) = ( 0.0000000 0.0000000 1.1590891), wk = 0.0026954 k( 59) = ( 0.0000000 0.0000000 1.1794240), wk = 0.0026954 k( 60) = ( 0.0000000 0.0000000 1.1997589), wk = 0.0026954 k( 61) = ( 0.0000000 0.0000000 1.2200938), wk = 0.0026954 k( 62) = ( 0.0000000 0.0000000 1.2404287), wk = 0.0026954 k( 63) = ( 0.0000000 0.0000000 1.2404287), wk = 0.0026954 k( 64) = ( -0.0080833 0.0183522 1.2404287), wk = 0.0026954 k( 65) = ( -0.0161666 0.0367045 1.2404287), wk = 0.0026954 k( 66) = ( -0.0242499 0.0550567 1.2404287), wk = 0.0026954 k( 67) = ( -0.0323333 0.0734090 1.2404287), wk = 0.0026954 k( 68) = ( -0.0404166 0.0917612 1.2404287), wk = 0.0026954 k( 69) = ( -0.0484999 0.1101134 1.2404287), wk = 0.0026954 k( 70) = ( -0.0484999 0.1101134 1.2404287), wk = 0.0026954 k( 71) = ( -0.0542883 0.1232555 1.2260683), wk = 0.0026954 k( 72) = ( -0.0600768 0.1363975 1.2117079), wk = 0.0026954 k( 73) = ( -0.0658653 0.1495396 1.1973476), wk = 0.0026954 k( 74) = ( -0.0716537 0.1626816 1.1829873), wk = 0.0026954 k( 75) = ( -0.0774422 0.1758237 1.1686269), wk = 0.0026954 k( 76) = ( -0.0832307 0.1889657 1.1542665), wk = 0.0026954 k( 77) = ( -0.0890191 0.2021077 1.1399062), wk = 0.0026954 k( 78) = ( -0.0948076 0.2152498 1.1255458), wk = 0.0026954 k( 79) = ( -0.1005960 0.2283919 1.1111855), wk = 0.0026954 k( 80) = ( -0.1063845 0.2415339 1.0968252), wk = 0.0026954 k( 81) = ( -0.1121730 0.2546759 1.0824648), wk = 0.0026954 k( 82) = ( -0.1179614 0.2678180 1.0681044), wk = 0.0026954 k( 83) = ( -0.1237499 0.2809600 1.0537441), wk = 0.0026954 k( 84) = ( -0.1295383 0.2941021 1.0393838), wk = 0.0026954 k( 85) = ( -0.1353268 0.3072441 1.0250234), wk = 0.0026954 k( 86) = ( -0.1411153 0.3203862 1.0106630), wk = 0.0026954 k( 87) = ( -0.1469037 0.3335282 0.9963027), wk = 0.0026954 k( 88) = ( -0.1526922 0.3466703 0.9819423), wk = 0.0026954 k( 89) = ( -0.1584807 0.3598123 0.9675820), wk = 0.0026954 k( 90) = ( -0.1642691 0.3729543 0.9532216), wk = 0.0026954 k( 91) = ( -0.1700576 0.3860964 0.9388613), wk = 0.0026954 k( 92) = ( -0.1758461 0.3992384 0.9245009), wk = 0.0026954 k( 93) = ( -0.1816345 0.4123805 0.9101406), wk = 0.0026954 k( 94) = ( -0.1874230 0.4255226 0.8957802), wk = 0.0026954 k( 95) = ( -0.1932115 0.4386646 0.8814199), wk = 0.0026954 k( 96) = ( -0.1989999 0.4518066 0.8670595), wk = 0.0026954 k( 97) = ( -0.2047884 0.4649487 0.8526992), wk = 0.0026954 k( 98) = ( -0.2105768 0.4780907 0.8383388), wk = 0.0026954 k( 99) = ( -0.2163653 0.4912328 0.8239785), wk = 0.0026954 k( 100) = ( -0.2221538 0.5043748 0.8096181), wk = 0.0026954 k( 101) = ( -0.2279422 0.5175169 0.7952578), wk = 0.0026954 k( 102) = ( -0.2337307 0.5306589 0.7808974), wk = 0.0026954 k( 103) = ( -0.2395192 0.5438010 0.7665371), wk = 0.0026954 k( 104) = ( -0.2453076 0.5569430 0.7521767), wk = 0.0026954 k( 105) = ( -0.2510961 0.5700850 0.7378164), wk = 0.0026954 k( 106) = ( -0.2568845 0.5832271 0.7234560), wk = 0.0026954 k( 107) = ( -0.2626730 0.5963692 0.7090957), wk = 0.0026954 k( 108) = ( -0.2684615 0.6095112 0.6947353), wk = 0.0026954 k( 109) = ( -0.2742499 0.6226532 0.6803749), wk = 0.0026954 k( 110) = ( -0.2742499 0.6226532 0.6803749), wk = 0.0026954 k( 111) = ( -0.2684148 0.6094053 0.6658989), wk = 0.0026954 k( 112) = ( -0.2625797 0.5961573 0.6514228), wk = 0.0026954 k( 113) = ( -0.2567446 0.5829094 0.6369468), wk = 0.0026954 k( 114) = ( -0.2509095 0.5696615 0.6224707), wk = 0.0026954 k( 115) = ( -0.2450744 0.5564135 0.6079946), wk = 0.0026954 k( 116) = ( -0.2392393 0.5431656 0.5935186), wk = 0.0026954 k( 117) = ( -0.2334042 0.5299177 0.5790425), wk = 0.0026954 k( 118) = ( -0.2275691 0.5166697 0.5645664), wk = 0.0026954 k( 119) = ( -0.2217340 0.5034218 0.5500904), wk = 0.0026954 k( 120) = ( -0.2158989 0.4901738 0.5356143), wk = 0.0026954 k( 121) = ( -0.2100638 0.4769259 0.5211383), wk = 0.0026954 k( 122) = ( -0.2042287 0.4636779 0.5066622), wk = 0.0026954 k( 123) = ( -0.1983936 0.4504300 0.4921861), wk = 0.0026954 k( 124) = ( -0.1925585 0.4371821 0.4777101), wk = 0.0026954 k( 125) = ( -0.1867234 0.4239341 0.4632340), wk = 0.0026954 k( 126) = ( -0.1808883 0.4106862 0.4487579), wk = 0.0026954 k( 127) = ( -0.1750531 0.3974382 0.4342819), wk = 0.0026954 k( 128) = ( -0.1692180 0.3841903 0.4198058), wk = 0.0026954 k( 129) = ( -0.1633829 0.3709424 0.4053298), wk = 0.0026954 k( 130) = ( -0.1575478 0.3576944 0.3908537), wk = 0.0026954 k( 131) = ( -0.1517127 0.3444465 0.3763776), wk = 0.0026954 k( 132) = ( -0.1458776 0.3311985 0.3619016), wk = 0.0026954 k( 133) = ( -0.1400425 0.3179506 0.3474255), wk = 0.0026954 k( 134) = ( -0.1342074 0.3047026 0.3329494), wk = 0.0026954 k( 135) = ( -0.1283723 0.2914547 0.3184734), wk = 0.0026954 k( 136) = ( -0.1225372 0.2782068 0.3039973), wk = 0.0026954 k( 137) = ( -0.1167021 0.2649588 0.2895213), wk = 0.0026954 k( 138) = ( -0.1108670 0.2517109 0.2750452), wk = 0.0026954 k( 139) = ( -0.1050319 0.2384629 0.2605691), wk = 0.0026954 k( 140) = ( -0.0991968 0.2252150 0.2460931), wk = 0.0026954 k( 141) = ( -0.0933617 0.2119671 0.2316170), wk = 0.0026954 k( 142) = ( -0.0875266 0.1987191 0.2171409), wk = 0.0026954 k( 143) = ( -0.0816915 0.1854712 0.2026649), wk = 0.0026954 k( 144) = ( -0.0758564 0.1722232 0.1881888), wk = 0.0026954 k( 145) = ( -0.0700213 0.1589753 0.1737128), wk = 0.0026954 k( 146) = ( -0.0641861 0.1457273 0.1592367), wk = 0.0026954 k( 147) = ( -0.0583511 0.1324794 0.1447606), wk = 0.0026954 k( 148) = ( -0.0525159 0.1192315 0.1302846), wk = 0.0026954 k( 149) = ( -0.0466808 0.1059835 0.1158085), wk = 0.0026954 k( 150) = ( -0.0408457 0.0927356 0.1013324), wk = 0.0026954 k( 151) = ( -0.0350106 0.0794876 0.0868564), wk = 0.0026954 k( 152) = ( -0.0291755 0.0662397 0.0723803), wk = 0.0026954 k( 153) = ( -0.0233404 0.0529918 0.0579043), wk = 0.0026954 k( 154) = ( -0.0175053 0.0397438 0.0434282), wk = 0.0026954 k( 155) = ( -0.0116702 0.0264959 0.0289521), wk = 0.0026954 k( 156) = ( -0.0058351 0.0132479 0.0144761), wk = 0.0026954 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026954 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026954 k( 159) = ( 0.0185185 0.0081566 -0.0000000), wk = 0.0026954 k( 160) = ( 0.0370370 0.0163131 -0.0000000), wk = 0.0026954 k( 161) = ( 0.0555556 0.0244697 -0.0000000), wk = 0.0026954 k( 162) = ( 0.0740741 0.0326262 -0.0000000), wk = 0.0026954 k( 163) = ( 0.0925926 0.0407828 -0.0000000), wk = 0.0026954 k( 164) = ( 0.1111111 0.0489393 -0.0000000), wk = 0.0026954 k( 165) = ( 0.1296296 0.0570959 -0.0000000), wk = 0.0026954 k( 166) = ( 0.1481482 0.0652524 -0.0000000), wk = 0.0026954 k( 167) = ( 0.1666667 0.0734090 -0.0000000), wk = 0.0026954 k( 168) = ( 0.1851852 0.0815655 -0.0000000), wk = 0.0026954 k( 169) = ( 0.2037037 0.0897221 -0.0000000), wk = 0.0026954 k( 170) = ( 0.2222222 0.0978786 -0.0000000), wk = 0.0026954 k( 171) = ( 0.2407407 0.1060352 -0.0000000), wk = 0.0026954 k( 172) = ( 0.2592593 0.1141917 -0.0000000), wk = 0.0026954 k( 173) = ( 0.2777778 0.1223483 -0.0000000), wk = 0.0026954 k( 174) = ( 0.2962963 0.1305048 -0.0000000), wk = 0.0026954 k( 175) = ( 0.3148148 0.1386614 -0.0000000), wk = 0.0026954 k( 176) = ( 0.3333333 0.1468179 -0.0000000), wk = 0.0026954 k( 177) = ( 0.3518519 0.1549745 -0.0000000), wk = 0.0026954 k( 178) = ( 0.3703704 0.1631310 -0.0000000), wk = 0.0026954 k( 179) = ( 0.3888889 0.1712876 -0.0000000), wk = 0.0026954 k( 180) = ( 0.4074074 0.1794441 -0.0000000), wk = 0.0026954 k( 181) = ( 0.4259259 0.1876007 -0.0000000), wk = 0.0026954 k( 182) = ( 0.4444444 0.1957572 -0.0000000), wk = 0.0026954 k( 183) = ( 0.4629630 0.2039138 -0.0000000), wk = 0.0026954 k( 184) = ( 0.4814815 0.2120703 -0.0000000), wk = 0.0026954 k( 185) = ( 0.5000000 0.2202269 -0.0000000), wk = 0.0026954 k( 186) = ( 0.5000000 0.2202269 -0.0000000), wk = 0.0026954 k( 187) = ( 0.4942115 0.2333689 0.0143603), wk = 0.0026954 k( 188) = ( 0.4884231 0.2465110 0.0287207), wk = 0.0026954 k( 189) = ( 0.4826346 0.2596530 0.0430811), wk = 0.0026954 k( 190) = ( 0.4768462 0.2727950 0.0574414), wk = 0.0026954 k( 191) = ( 0.4710577 0.2859371 0.0718018), wk = 0.0026954 k( 192) = ( 0.4652692 0.2990791 0.0861621), wk = 0.0026954 k( 193) = ( 0.4594808 0.3122212 0.1005225), wk = 0.0026954 k( 194) = ( 0.4536923 0.3253632 0.1148828), wk = 0.0026954 k( 195) = ( 0.4479038 0.3385053 0.1292432), wk = 0.0026954 k( 196) = ( 0.4421154 0.3516473 0.1436035), wk = 0.0026954 k( 197) = ( 0.4363269 0.3647894 0.1579639), wk = 0.0026954 k( 198) = ( 0.4305384 0.3779314 0.1723242), wk = 0.0026954 k( 199) = ( 0.4247500 0.3910735 0.1866846), wk = 0.0026954 k( 200) = ( 0.4189615 0.4042155 0.2010449), wk = 0.0026954 k( 201) = ( 0.4131730 0.4173576 0.2154053), wk = 0.0026954 k( 202) = ( 0.4073846 0.4304996 0.2297656), wk = 0.0026954 k( 203) = ( 0.4015961 0.4436416 0.2441260), wk = 0.0026954 k( 204) = ( 0.3958077 0.4567837 0.2584863), wk = 0.0026954 k( 205) = ( 0.3900192 0.4699257 0.2728467), wk = 0.0026954 k( 206) = ( 0.3842307 0.4830678 0.2872070), wk = 0.0026954 k( 207) = ( 0.3784423 0.4962098 0.3015674), wk = 0.0026954 k( 208) = ( 0.3726538 0.5093519 0.3159277), wk = 0.0026954 k( 209) = ( 0.3668653 0.5224939 0.3302881), wk = 0.0026954 k( 210) = ( 0.3610769 0.5356360 0.3446484), wk = 0.0026954 k( 211) = ( 0.3552884 0.5487780 0.3590088), wk = 0.0026954 k( 212) = ( 0.3495000 0.5619201 0.3733691), wk = 0.0026954 k( 213) = ( 0.3437115 0.5750621 0.3877295), wk = 0.0026954 k( 214) = ( 0.3379230 0.5882042 0.4020898), wk = 0.0026954 k( 215) = ( 0.3321346 0.6013462 0.4164502), wk = 0.0026954 k( 216) = ( 0.3263461 0.6144883 0.4308105), wk = 0.0026954 k( 217) = ( 0.3205576 0.6276303 0.4451709), wk = 0.0026954 k( 218) = ( 0.3147692 0.6407723 0.4595312), wk = 0.0026954 k( 219) = ( 0.3089807 0.6539144 0.4738916), wk = 0.0026954 k( 220) = ( 0.3031922 0.6670564 0.4882519), wk = 0.0026954 k( 221) = ( 0.2974038 0.6801985 0.5026123), wk = 0.0026954 k( 222) = ( 0.2916153 0.6933405 0.5169727), wk = 0.0026954 k( 223) = ( 0.2858269 0.7064826 0.5313330), wk = 0.0026954 k( 224) = ( 0.2800384 0.7196246 0.5456933), wk = 0.0026954 k( 225) = ( 0.2742499 0.7327667 0.5600537), wk = 0.0026954 k( 226) = ( 0.2742499 0.7327667 0.5600537), wk = 0.0026954 k( 227) = ( 0.2546606 0.7288340 0.5643509), wk = 0.0026954 k( 228) = ( 0.2350714 0.7249014 0.5686481), wk = 0.0026954 k( 229) = ( 0.2154821 0.7209688 0.5729453), wk = 0.0026954 k( 230) = ( 0.1958928 0.7170362 0.5772425), wk = 0.0026954 k( 231) = ( 0.1763035 0.7131036 0.5815396), wk = 0.0026954 k( 232) = ( 0.1567142 0.7091709 0.5858368), wk = 0.0026954 k( 233) = ( 0.1371250 0.7052383 0.5901340), wk = 0.0026954 k( 234) = ( 0.1175357 0.7013057 0.5944312), wk = 0.0026954 k( 235) = ( 0.0979464 0.6973731 0.5987284), wk = 0.0026954 k( 236) = ( 0.0783571 0.6934404 0.6030256), wk = 0.0026954 k( 237) = ( 0.0587678 0.6895078 0.6073228), wk = 0.0026954 k( 238) = ( 0.0391786 0.6855752 0.6116200), wk = 0.0026954 k( 239) = ( 0.0195893 0.6816426 0.6159171), wk = 0.0026954 k( 240) = ( 0.0000000 0.6777100 0.6202143), wk = 0.0026954 k( 241) = ( 0.0000000 0.6777100 0.6202143), wk = 0.0026954 k( 242) = ( 0.0058140 0.6645100 0.6346379), wk = 0.0026954 k( 243) = ( 0.0116279 0.6513101 0.6490615), wk = 0.0026954 k( 244) = ( 0.0174419 0.6381102 0.6634851), wk = 0.0026954 k( 245) = ( 0.0232558 0.6249103 0.6779087), wk = 0.0026954 k( 246) = ( 0.0290698 0.6117104 0.6923323), wk = 0.0026954 k( 247) = ( 0.0348837 0.5985104 0.7067559), wk = 0.0026954 k( 248) = ( 0.0406977 0.5853105 0.7211794), wk = 0.0026954 k( 249) = ( 0.0465116 0.5721106 0.7356030), wk = 0.0026954 k( 250) = ( 0.0523256 0.5589107 0.7500266), wk = 0.0026954 k( 251) = ( 0.0581395 0.5457108 0.7644502), wk = 0.0026954 k( 252) = ( 0.0639535 0.5325108 0.7788738), wk = 0.0026954 k( 253) = ( 0.0697674 0.5193109 0.7932974), wk = 0.0026954 k( 254) = ( 0.0755814 0.5061110 0.8077210), wk = 0.0026954 k( 255) = ( 0.0813954 0.4929111 0.8221446), wk = 0.0026954 k( 256) = ( 0.0872093 0.4797112 0.8365682), wk = 0.0026954 k( 257) = ( 0.0930233 0.4665112 0.8509918), wk = 0.0026954 k( 258) = ( 0.0988372 0.4533113 0.8654153), wk = 0.0026954 k( 259) = ( 0.1046512 0.4401114 0.8798389), wk = 0.0026954 k( 260) = ( 0.1104651 0.4269115 0.8942625), wk = 0.0026954 k( 261) = ( 0.1162791 0.4137116 0.9086861), wk = 0.0026954 k( 262) = ( 0.1220930 0.4005117 0.9231097), wk = 0.0026954 k( 263) = ( 0.1279070 0.3873117 0.9375333), wk = 0.0026954 k( 264) = ( 0.1337209 0.3741118 0.9519569), wk = 0.0026954 k( 265) = ( 0.1395349 0.3609119 0.9663805), wk = 0.0026954 k( 266) = ( 0.1453488 0.3477120 0.9808041), wk = 0.0026954 k( 267) = ( 0.1511628 0.3345121 0.9952276), wk = 0.0026954 k( 268) = ( 0.1569767 0.3213121 1.0096512), wk = 0.0026954 k( 269) = ( 0.1627907 0.3081122 1.0240748), wk = 0.0026954 k( 270) = ( 0.1686046 0.2949123 1.0384984), wk = 0.0026954 k( 271) = ( 0.1744186 0.2817124 1.0529220), wk = 0.0026954 k( 272) = ( 0.1802326 0.2685125 1.0673456), wk = 0.0026954 k( 273) = ( 0.1860465 0.2553125 1.0817692), wk = 0.0026954 k( 274) = ( 0.1918605 0.2421126 1.0961928), wk = 0.0026954 k( 275) = ( 0.1976744 0.2289127 1.1106164), wk = 0.0026954 k( 276) = ( 0.2034884 0.2157128 1.1250399), wk = 0.0026954 k( 277) = ( 0.2093023 0.2025129 1.1394635), wk = 0.0026954 k( 278) = ( 0.2151163 0.1893129 1.1538871), wk = 0.0026954 k( 279) = ( 0.2209302 0.1761130 1.1683107), wk = 0.0026954 k( 280) = ( 0.2267442 0.1629131 1.1827343), wk = 0.0026954 k( 281) = ( 0.2325581 0.1497132 1.1971579), wk = 0.0026954 k( 282) = ( 0.2383721 0.1365133 1.2115815), wk = 0.0026954 k( 283) = ( 0.2441860 0.1233133 1.2260051), wk = 0.0026954 k( 284) = ( 0.2500000 0.1101134 1.2404287), wk = 0.0026954 k( 285) = ( 0.2500000 0.1101134 1.2404287), wk = 0.0026954 k( 286) = ( 0.2666667 0.1174543 1.2324073), wk = 0.0026954 k( 287) = ( 0.2833333 0.1247952 1.2243858), wk = 0.0026954 k( 288) = ( 0.3000000 0.1321361 1.2163644), wk = 0.0026954 k( 289) = ( 0.3166667 0.1394770 1.2083430), wk = 0.0026954 k( 290) = ( 0.3333333 0.1468179 1.2003216), wk = 0.0026954 k( 291) = ( 0.3500000 0.1541588 1.1923002), wk = 0.0026954 k( 292) = ( 0.3666667 0.1614997 1.1842787), wk = 0.0026954 k( 293) = ( 0.3833333 0.1688406 1.1762573), wk = 0.0026954 k( 294) = ( 0.4000000 0.1761815 1.1682359), wk = 0.0026954 k( 295) = ( 0.4166667 0.1835224 1.1602145), wk = 0.0026954 k( 296) = ( 0.4333333 0.1908633 1.1521931), wk = 0.0026954 k( 297) = ( 0.4500000 0.1982042 1.1441716), wk = 0.0026954 k( 298) = ( 0.4666667 0.2055451 1.1361502), wk = 0.0026954 k( 299) = ( 0.4833333 0.2128860 1.1281288), wk = 0.0026954 k( 300) = ( 0.5000000 0.2202269 1.1201074), wk = 0.0026954 k( 301) = ( 0.5000000 0.2202269 1.1201074), wk = 0.0026954 k( 302) = ( 0.5000000 0.2202269 1.0997418), wk = 0.0026954 k( 303) = ( 0.5000000 0.2202269 1.0793762), wk = 0.0026954 k( 304) = ( 0.5000000 0.2202269 1.0590106), wk = 0.0026954 k( 305) = ( 0.5000000 0.2202269 1.0386451), wk = 0.0026954 k( 306) = ( 0.5000000 0.2202269 1.0182794), wk = 0.0026954 k( 307) = ( 0.5000000 0.2202269 0.9979139), wk = 0.0026954 k( 308) = ( 0.5000000 0.2202269 0.9775483), wk = 0.0026954 k( 309) = ( 0.5000000 0.2202269 0.9571827), wk = 0.0026954 k( 310) = ( 0.5000000 0.2202269 0.9368171), wk = 0.0026954 k( 311) = ( 0.5000000 0.2202269 0.9164515), wk = 0.0026954 k( 312) = ( 0.5000000 0.2202269 0.8960859), wk = 0.0026954 k( 313) = ( 0.5000000 0.2202269 0.8757203), wk = 0.0026954 k( 314) = ( 0.5000000 0.2202269 0.8553547), wk = 0.0026954 k( 315) = ( 0.5000000 0.2202269 0.8349891), wk = 0.0026954 k( 316) = ( 0.5000000 0.2202269 0.8146236), wk = 0.0026954 k( 317) = ( 0.5000000 0.2202269 0.7942580), wk = 0.0026954 k( 318) = ( 0.5000000 0.2202269 0.7738924), wk = 0.0026954 k( 319) = ( 0.5000000 0.2202269 0.7535268), wk = 0.0026954 k( 320) = ( 0.5000000 0.2202269 0.7331612), wk = 0.0026954 k( 321) = ( 0.5000000 0.2202269 0.7127956), wk = 0.0026954 k( 322) = ( 0.5000000 0.2202269 0.6924300), wk = 0.0026954 k( 323) = ( 0.5000000 0.2202269 0.6720644), wk = 0.0026954 k( 324) = ( 0.5000000 0.2202269 0.6516988), wk = 0.0026954 k( 325) = ( 0.5000000 0.2202269 0.6313333), wk = 0.0026954 k( 326) = ( 0.5000000 0.2202269 0.6109677), wk = 0.0026954 k( 327) = ( 0.5000000 0.2202269 0.5906021), wk = 0.0026954 k( 328) = ( 0.5000000 0.2202269 0.5702365), wk = 0.0026954 k( 329) = ( 0.5000000 0.2202269 0.5498709), wk = 0.0026954 k( 330) = ( 0.5000000 0.2202269 0.5295053), wk = 0.0026954 k( 331) = ( 0.5000000 0.2202269 0.5091397), wk = 0.0026954 k( 332) = ( 0.5000000 0.2202269 0.4887741), wk = 0.0026954 k( 333) = ( 0.5000000 0.2202269 0.4684086), wk = 0.0026954 k( 334) = ( 0.5000000 0.2202269 0.4480430), wk = 0.0026954 k( 335) = ( 0.5000000 0.2202269 0.4276774), wk = 0.0026954 k( 336) = ( 0.5000000 0.2202269 0.4073118), wk = 0.0026954 k( 337) = ( 0.5000000 0.2202269 0.3869462), wk = 0.0026954 k( 338) = ( 0.5000000 0.2202269 0.3665806), wk = 0.0026954 k( 339) = ( 0.5000000 0.2202269 0.3462150), wk = 0.0026954 k( 340) = ( 0.5000000 0.2202269 0.3258494), wk = 0.0026954 k( 341) = ( 0.5000000 0.2202269 0.3054838), wk = 0.0026954 k( 342) = ( 0.5000000 0.2202269 0.2851183), wk = 0.0026954 k( 343) = ( 0.5000000 0.2202269 0.2647527), wk = 0.0026954 k( 344) = ( 0.5000000 0.2202269 0.2443871), wk = 0.0026954 k( 345) = ( 0.5000000 0.2202269 0.2240215), wk = 0.0026954 k( 346) = ( 0.5000000 0.2202269 0.2036559), wk = 0.0026954 k( 347) = ( 0.5000000 0.2202269 0.1832903), wk = 0.0026954 k( 348) = ( 0.5000000 0.2202269 0.1629247), wk = 0.0026954 k( 349) = ( 0.5000000 0.2202269 0.1425591), wk = 0.0026954 k( 350) = ( 0.5000000 0.2202269 0.1221935), wk = 0.0026954 k( 351) = ( 0.5000000 0.2202269 0.1018280), wk = 0.0026954 k( 352) = ( 0.5000000 0.2202269 0.0814623), wk = 0.0026954 k( 353) = ( 0.5000000 0.2202269 0.0610968), wk = 0.0026954 k( 354) = ( 0.5000000 0.2202269 0.0407312), wk = 0.0026954 k( 355) = ( 0.5000000 0.2202269 0.0203656), wk = 0.0026954 k( 356) = ( 0.5000000 0.2202269 -0.0000000), wk = 0.0026954 k( 357) = ( 0.0000000 0.0000000 1.2404287), wk = 0.0026954 k( 358) = ( 0.0178571 0.0078652 1.2404287), wk = 0.0026954 k( 359) = ( 0.0357143 0.0157305 1.2404287), wk = 0.0026954 k( 360) = ( 0.0535714 0.0235957 1.2404287), wk = 0.0026954 k( 361) = ( 0.0714286 0.0314610 1.2404287), wk = 0.0026954 k( 362) = ( 0.0892857 0.0393262 1.2404287), wk = 0.0026954 k( 363) = ( 0.1071429 0.0471915 1.2404287), wk = 0.0026954 k( 364) = ( 0.1250000 0.0550567 1.2404287), wk = 0.0026954 k( 365) = ( 0.1428571 0.0629220 1.2404287), wk = 0.0026954 k( 366) = ( 0.1607143 0.0707872 1.2404287), wk = 0.0026954 k( 367) = ( 0.1785714 0.0786525 1.2404287), wk = 0.0026954 k( 368) = ( 0.1964286 0.0865177 1.2404287), wk = 0.0026954 k( 369) = ( 0.2142857 0.0943829 1.2404287), wk = 0.0026954 k( 370) = ( 0.2321429 0.1022482 1.2404287), wk = 0.0026954 k( 371) = ( 0.2500000 0.1101134 1.2404287), wk = 0.0026954 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026954 k( 2) = ( 0.0000000 0.0000000 0.0081967), wk = 0.0026954 k( 3) = ( 0.0000000 0.0000000 0.0163934), wk = 0.0026954 k( 4) = ( 0.0000000 0.0000000 0.0245902), wk = 0.0026954 k( 5) = ( 0.0000000 0.0000000 0.0327869), wk = 0.0026954 k( 6) = ( 0.0000000 0.0000000 0.0409836), wk = 0.0026954 k( 7) = ( 0.0000000 0.0000000 0.0491803), wk = 0.0026954 k( 8) = ( 0.0000000 0.0000000 0.0573771), wk = 0.0026954 k( 9) = ( 0.0000000 0.0000000 0.0655738), wk = 0.0026954 k( 10) = ( 0.0000000 0.0000000 0.0737705), wk = 0.0026954 k( 11) = ( 0.0000000 0.0000000 0.0819672), wk = 0.0026954 k( 12) = ( 0.0000000 0.0000000 0.0901639), wk = 0.0026954 k( 13) = ( 0.0000000 0.0000000 0.0983607), wk = 0.0026954 k( 14) = ( 0.0000000 0.0000000 0.1065574), wk = 0.0026954 k( 15) = ( 0.0000000 0.0000000 0.1147541), wk = 0.0026954 k( 16) = ( 0.0000000 0.0000000 0.1229508), wk = 0.0026954 k( 17) = ( 0.0000000 0.0000000 0.1311475), wk = 0.0026954 k( 18) = ( 0.0000000 0.0000000 0.1393443), wk = 0.0026954 k( 19) = ( 0.0000000 0.0000000 0.1475410), wk = 0.0026954 k( 20) = ( 0.0000000 0.0000000 0.1557377), wk = 0.0026954 k( 21) = ( 0.0000000 0.0000000 0.1639344), wk = 0.0026954 k( 22) = ( 0.0000000 0.0000000 0.1721312), wk = 0.0026954 k( 23) = ( 0.0000000 0.0000000 0.1803279), wk = 0.0026954 k( 24) = ( 0.0000000 0.0000000 0.1885246), wk = 0.0026954 k( 25) = ( 0.0000000 0.0000000 0.1967213), wk = 0.0026954 k( 26) = ( 0.0000000 0.0000000 0.2049180), wk = 0.0026954 k( 27) = ( 0.0000000 0.0000000 0.2131147), wk = 0.0026954 k( 28) = ( 0.0000000 0.0000000 0.2213115), wk = 0.0026954 k( 29) = ( 0.0000000 0.0000000 0.2295082), wk = 0.0026954 k( 30) = ( 0.0000000 0.0000000 0.2377049), wk = 0.0026954 k( 31) = ( 0.0000000 0.0000000 0.2459016), wk = 0.0026954 k( 32) = ( 0.0000000 0.0000000 0.2540984), wk = 0.0026954 k( 33) = ( 0.0000000 0.0000000 0.2622951), wk = 0.0026954 k( 34) = ( 0.0000000 0.0000000 0.2704918), wk = 0.0026954 k( 35) = ( 0.0000000 0.0000000 0.2786885), wk = 0.0026954 k( 36) = ( 0.0000000 0.0000000 0.2868852), wk = 0.0026954 k( 37) = ( 0.0000000 0.0000000 0.2950820), wk = 0.0026954 k( 38) = ( 0.0000000 0.0000000 0.3032787), wk = 0.0026954 k( 39) = ( 0.0000000 0.0000000 0.3114754), wk = 0.0026954 k( 40) = ( 0.0000000 0.0000000 0.3196721), wk = 0.0026954 k( 41) = ( 0.0000000 0.0000000 0.3278688), wk = 0.0026954 k( 42) = ( 0.0000000 0.0000000 0.3360656), wk = 0.0026954 k( 43) = ( 0.0000000 0.0000000 0.3442623), wk = 0.0026954 k( 44) = ( 0.0000000 0.0000000 0.3524590), wk = 0.0026954 k( 45) = ( 0.0000000 0.0000000 0.3606557), wk = 0.0026954 k( 46) = ( 0.0000000 0.0000000 0.3688525), wk = 0.0026954 k( 47) = ( 0.0000000 0.0000000 0.3770492), wk = 0.0026954 k( 48) = ( 0.0000000 0.0000000 0.3852459), wk = 0.0026954 k( 49) = ( 0.0000000 0.0000000 0.3934426), wk = 0.0026954 k( 50) = ( 0.0000000 0.0000000 0.4016393), wk = 0.0026954 k( 51) = ( 0.0000000 0.0000000 0.4098361), wk = 0.0026954 k( 52) = ( 0.0000000 0.0000000 0.4180328), wk = 0.0026954 k( 53) = ( 0.0000000 0.0000000 0.4262295), wk = 0.0026954 k( 54) = ( 0.0000000 0.0000000 0.4344262), wk = 0.0026954 k( 55) = ( 0.0000000 0.0000000 0.4426230), wk = 0.0026954 k( 56) = ( 0.0000000 0.0000000 0.4508197), wk = 0.0026954 k( 57) = ( 0.0000000 0.0000000 0.4590164), wk = 0.0026954 k( 58) = ( 0.0000000 0.0000000 0.4672131), wk = 0.0026954 k( 59) = ( 0.0000000 0.0000000 0.4754098), wk = 0.0026954 k( 60) = ( 0.0000000 0.0000000 0.4836066), wk = 0.0026954 k( 61) = ( 0.0000000 0.0000000 0.4918033), wk = 0.0026954 k( 62) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026954 k( 63) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026954 k( 64) = ( -0.0080833 0.0080833 0.5000000), wk = 0.0026954 k( 65) = ( -0.0161666 0.0161666 0.5000000), wk = 0.0026954 k( 66) = ( -0.0242499 0.0242499 0.5000000), wk = 0.0026954 k( 67) = ( -0.0323333 0.0323333 0.5000000), wk = 0.0026954 k( 68) = ( -0.0404166 0.0404166 0.5000000), wk = 0.0026954 k( 69) = ( -0.0484999 0.0484999 0.5000000), wk = 0.0026954 k( 70) = ( -0.0484999 0.0484999 0.5000000), wk = 0.0026954 k( 71) = ( -0.0542883 0.0542883 0.4942115), wk = 0.0026954 k( 72) = ( -0.0600768 0.0600768 0.4884231), wk = 0.0026954 k( 73) = ( -0.0658653 0.0658653 0.4826346), wk = 0.0026954 k( 74) = ( -0.0716537 0.0716537 0.4768462), wk = 0.0026954 k( 75) = ( -0.0774422 0.0774422 0.4710577), wk = 0.0026954 k( 76) = ( -0.0832307 0.0832307 0.4652692), wk = 0.0026954 k( 77) = ( -0.0890191 0.0890191 0.4594808), wk = 0.0026954 k( 78) = ( -0.0948076 0.0948076 0.4536923), wk = 0.0026954 k( 79) = ( -0.1005960 0.1005960 0.4479038), wk = 0.0026954 k( 80) = ( -0.1063845 0.1063845 0.4421154), wk = 0.0026954 k( 81) = ( -0.1121730 0.1121730 0.4363269), wk = 0.0026954 k( 82) = ( -0.1179614 0.1179614 0.4305384), wk = 0.0026954 k( 83) = ( -0.1237499 0.1237499 0.4247500), wk = 0.0026954 k( 84) = ( -0.1295383 0.1295383 0.4189615), wk = 0.0026954 k( 85) = ( -0.1353268 0.1353268 0.4131730), wk = 0.0026954 k( 86) = ( -0.1411153 0.1411153 0.4073846), wk = 0.0026954 k( 87) = ( -0.1469037 0.1469037 0.4015961), wk = 0.0026954 k( 88) = ( -0.1526922 0.1526922 0.3958077), wk = 0.0026954 k( 89) = ( -0.1584807 0.1584807 0.3900192), wk = 0.0026954 k( 90) = ( -0.1642691 0.1642691 0.3842307), wk = 0.0026954 k( 91) = ( -0.1700576 0.1700576 0.3784423), wk = 0.0026954 k( 92) = ( -0.1758461 0.1758461 0.3726538), wk = 0.0026954 k( 93) = ( -0.1816345 0.1816345 0.3668653), wk = 0.0026954 k( 94) = ( -0.1874230 0.1874230 0.3610769), wk = 0.0026954 k( 95) = ( -0.1932115 0.1932115 0.3552884), wk = 0.0026954 k( 96) = ( -0.1989999 0.1989999 0.3495000), wk = 0.0026954 k( 97) = ( -0.2047884 0.2047884 0.3437115), wk = 0.0026954 k( 98) = ( -0.2105768 0.2105768 0.3379230), wk = 0.0026954 k( 99) = ( -0.2163653 0.2163653 0.3321346), wk = 0.0026954 k( 100) = ( -0.2221538 0.2221538 0.3263461), wk = 0.0026954 k( 101) = ( -0.2279422 0.2279422 0.3205576), wk = 0.0026954 k( 102) = ( -0.2337307 0.2337307 0.3147692), wk = 0.0026954 k( 103) = ( -0.2395192 0.2395192 0.3089807), wk = 0.0026954 k( 104) = ( -0.2453076 0.2453076 0.3031923), wk = 0.0026954 k( 105) = ( -0.2510961 0.2510961 0.2974038), wk = 0.0026954 k( 106) = ( -0.2568845 0.2568845 0.2916153), wk = 0.0026954 k( 107) = ( -0.2626730 0.2626730 0.2858269), wk = 0.0026954 k( 108) = ( -0.2684615 0.2684615 0.2800384), wk = 0.0026954 k( 109) = ( -0.2742499 0.2742499 0.2742499), wk = 0.0026954 k( 110) = ( -0.2742499 0.2742499 0.2742499), wk = 0.0026954 k( 111) = ( -0.2684148 0.2684148 0.2684148), wk = 0.0026954 k( 112) = ( -0.2625797 0.2625797 0.2625797), wk = 0.0026954 k( 113) = ( -0.2567446 0.2567446 0.2567446), wk = 0.0026954 k( 114) = ( -0.2509095 0.2509095 0.2509095), wk = 0.0026954 k( 115) = ( -0.2450744 0.2450744 0.2450744), wk = 0.0026954 k( 116) = ( -0.2392393 0.2392393 0.2392393), wk = 0.0026954 k( 117) = ( -0.2334042 0.2334042 0.2334042), wk = 0.0026954 k( 118) = ( -0.2275691 0.2275691 0.2275691), wk = 0.0026954 k( 119) = ( -0.2217340 0.2217340 0.2217340), wk = 0.0026954 k( 120) = ( -0.2158989 0.2158989 0.2158989), wk = 0.0026954 k( 121) = ( -0.2100638 0.2100638 0.2100638), wk = 0.0026954 k( 122) = ( -0.2042287 0.2042287 0.2042287), wk = 0.0026954 k( 123) = ( -0.1983936 0.1983936 0.1983936), wk = 0.0026954 k( 124) = ( -0.1925585 0.1925585 0.1925585), wk = 0.0026954 k( 125) = ( -0.1867234 0.1867234 0.1867234), wk = 0.0026954 k( 126) = ( -0.1808883 0.1808883 0.1808883), wk = 0.0026954 k( 127) = ( -0.1750531 0.1750531 0.1750531), wk = 0.0026954 k( 128) = ( -0.1692180 0.1692180 0.1692180), wk = 0.0026954 k( 129) = ( -0.1633829 0.1633829 0.1633829), wk = 0.0026954 k( 130) = ( -0.1575478 0.1575478 0.1575478), wk = 0.0026954 k( 131) = ( -0.1517127 0.1517127 0.1517127), wk = 0.0026954 k( 132) = ( -0.1458776 0.1458776 0.1458776), wk = 0.0026954 k( 133) = ( -0.1400425 0.1400425 0.1400425), wk = 0.0026954 k( 134) = ( -0.1342074 0.1342074 0.1342074), wk = 0.0026954 k( 135) = ( -0.1283723 0.1283723 0.1283723), wk = 0.0026954 k( 136) = ( -0.1225372 0.1225372 0.1225372), wk = 0.0026954 k( 137) = ( -0.1167021 0.1167021 0.1167021), wk = 0.0026954 k( 138) = ( -0.1108670 0.1108670 0.1108670), wk = 0.0026954 k( 139) = ( -0.1050319 0.1050319 0.1050319), wk = 0.0026954 k( 140) = ( -0.0991968 0.0991968 0.0991968), wk = 0.0026954 k( 141) = ( -0.0933617 0.0933617 0.0933617), wk = 0.0026954 k( 142) = ( -0.0875266 0.0875266 0.0875266), wk = 0.0026954 k( 143) = ( -0.0816915 0.0816915 0.0816915), wk = 0.0026954 k( 144) = ( -0.0758564 0.0758564 0.0758564), wk = 0.0026954 k( 145) = ( -0.0700213 0.0700213 0.0700213), wk = 0.0026954 k( 146) = ( -0.0641861 0.0641861 0.0641861), wk = 0.0026954 k( 147) = ( -0.0583511 0.0583511 0.0583511), wk = 0.0026954 k( 148) = ( -0.0525159 0.0525159 0.0525159), wk = 0.0026954 k( 149) = ( -0.0466808 0.0466808 0.0466808), wk = 0.0026954 k( 150) = ( -0.0408457 0.0408457 0.0408457), wk = 0.0026954 k( 151) = ( -0.0350106 0.0350106 0.0350106), wk = 0.0026954 k( 152) = ( -0.0291755 0.0291755 0.0291755), wk = 0.0026954 k( 153) = ( -0.0233404 0.0233404 0.0233404), wk = 0.0026954 k( 154) = ( -0.0175053 0.0175053 0.0175053), wk = 0.0026954 k( 155) = ( -0.0116702 0.0116702 0.0116702), wk = 0.0026954 k( 156) = ( -0.0058351 0.0058351 0.0058351), wk = 0.0026954 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026954 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026954 k( 159) = ( 0.0185185 0.0185185 -0.0185185), wk = 0.0026954 k( 160) = ( 0.0370370 0.0370370 -0.0370370), wk = 0.0026954 k( 161) = ( 0.0555556 0.0555556 -0.0555556), wk = 0.0026954 k( 162) = ( 0.0740741 0.0740741 -0.0740741), wk = 0.0026954 k( 163) = ( 0.0925926 0.0925926 -0.0925926), wk = 0.0026954 k( 164) = ( 0.1111111 0.1111111 -0.1111111), wk = 0.0026954 k( 165) = ( 0.1296296 0.1296296 -0.1296296), wk = 0.0026954 k( 166) = ( 0.1481482 0.1481481 -0.1481482), wk = 0.0026954 k( 167) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0026954 k( 168) = ( 0.1851852 0.1851852 -0.1851852), wk = 0.0026954 k( 169) = ( 0.2037037 0.2037037 -0.2037037), wk = 0.0026954 k( 170) = ( 0.2222222 0.2222222 -0.2222222), wk = 0.0026954 k( 171) = ( 0.2407407 0.2407407 -0.2407407), wk = 0.0026954 k( 172) = ( 0.2592593 0.2592593 -0.2592593), wk = 0.0026954 k( 173) = ( 0.2777778 0.2777778 -0.2777778), wk = 0.0026954 k( 174) = ( 0.2962963 0.2962963 -0.2962963), wk = 0.0026954 k( 175) = ( 0.3148148 0.3148148 -0.3148148), wk = 0.0026954 k( 176) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0026954 k( 177) = ( 0.3518519 0.3518519 -0.3518518), wk = 0.0026954 k( 178) = ( 0.3703704 0.3703704 -0.3703704), wk = 0.0026954 k( 179) = ( 0.3888889 0.3888889 -0.3888889), wk = 0.0026954 k( 180) = ( 0.4074074 0.4074074 -0.4074074), wk = 0.0026954 k( 181) = ( 0.4259259 0.4259259 -0.4259259), wk = 0.0026954 k( 182) = ( 0.4444444 0.4444444 -0.4444444), wk = 0.0026954 k( 183) = ( 0.4629630 0.4629630 -0.4629630), wk = 0.0026954 k( 184) = ( 0.4814815 0.4814815 -0.4814815), wk = 0.0026954 k( 185) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026954 k( 186) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026954 k( 187) = ( 0.4942115 0.5057885 -0.4942115), wk = 0.0026954 k( 188) = ( 0.4884231 0.5115769 -0.4884231), wk = 0.0026954 k( 189) = ( 0.4826346 0.5173654 -0.4826346), wk = 0.0026954 k( 190) = ( 0.4768462 0.5231539 -0.4768462), wk = 0.0026954 k( 191) = ( 0.4710577 0.5289423 -0.4710577), wk = 0.0026954 k( 192) = ( 0.4652692 0.5347308 -0.4652692), wk = 0.0026954 k( 193) = ( 0.4594808 0.5405192 -0.4594808), wk = 0.0026954 k( 194) = ( 0.4536923 0.5463077 -0.4536923), wk = 0.0026954 k( 195) = ( 0.4479038 0.5520962 -0.4479038), wk = 0.0026954 k( 196) = ( 0.4421154 0.5578846 -0.4421154), wk = 0.0026954 k( 197) = ( 0.4363269 0.5636731 -0.4363269), wk = 0.0026954 k( 198) = ( 0.4305384 0.5694616 -0.4305384), wk = 0.0026954 k( 199) = ( 0.4247500 0.5752500 -0.4247500), wk = 0.0026954 k( 200) = ( 0.4189615 0.5810385 -0.4189615), wk = 0.0026954 k( 201) = ( 0.4131730 0.5868269 -0.4131730), wk = 0.0026954 k( 202) = ( 0.4073846 0.5926154 -0.4073846), wk = 0.0026954 k( 203) = ( 0.4015961 0.5984039 -0.4015961), wk = 0.0026954 k( 204) = ( 0.3958077 0.6041923 -0.3958077), wk = 0.0026954 k( 205) = ( 0.3900192 0.6099808 -0.3900192), wk = 0.0026954 k( 206) = ( 0.3842307 0.6157693 -0.3842307), wk = 0.0026954 k( 207) = ( 0.3784423 0.6215577 -0.3784423), wk = 0.0026954 k( 208) = ( 0.3726538 0.6273462 -0.3726538), wk = 0.0026954 k( 209) = ( 0.3668653 0.6331347 -0.3668653), wk = 0.0026954 k( 210) = ( 0.3610769 0.6389231 -0.3610769), wk = 0.0026954 k( 211) = ( 0.3552884 0.6447116 -0.3552884), wk = 0.0026954 k( 212) = ( 0.3495000 0.6505000 -0.3495000), wk = 0.0026954 k( 213) = ( 0.3437115 0.6562885 -0.3437115), wk = 0.0026954 k( 214) = ( 0.3379230 0.6620770 -0.3379230), wk = 0.0026954 k( 215) = ( 0.3321346 0.6678654 -0.3321346), wk = 0.0026954 k( 216) = ( 0.3263461 0.6736539 -0.3263461), wk = 0.0026954 k( 217) = ( 0.3205576 0.6794424 -0.3205576), wk = 0.0026954 k( 218) = ( 0.3147692 0.6852308 -0.3147692), wk = 0.0026954 k( 219) = ( 0.3089807 0.6910193 -0.3089807), wk = 0.0026954 k( 220) = ( 0.3031922 0.6968077 -0.3031922), wk = 0.0026954 k( 221) = ( 0.2974038 0.7025962 -0.2974038), wk = 0.0026954 k( 222) = ( 0.2916153 0.7083847 -0.2916153), wk = 0.0026954 k( 223) = ( 0.2858269 0.7141731 -0.2858269), wk = 0.0026954 k( 224) = ( 0.2800384 0.7199616 -0.2800384), wk = 0.0026954 k( 225) = ( 0.2742499 0.7257501 -0.2742499), wk = 0.0026954 k( 226) = ( 0.2742499 0.7257501 -0.2742499), wk = 0.0026954 k( 227) = ( 0.2546606 0.7096251 -0.2546606), wk = 0.0026954 k( 228) = ( 0.2350714 0.6935001 -0.2350714), wk = 0.0026954 k( 229) = ( 0.2154821 0.6773750 -0.2154821), wk = 0.0026954 k( 230) = ( 0.1958928 0.6612501 -0.1958928), wk = 0.0026954 k( 231) = ( 0.1763035 0.6451250 -0.1763035), wk = 0.0026954 k( 232) = ( 0.1567142 0.6290000 -0.1567142), wk = 0.0026954 k( 233) = ( 0.1371250 0.6128750 -0.1371250), wk = 0.0026954 k( 234) = ( 0.1175357 0.5967500 -0.1175357), wk = 0.0026954 k( 235) = ( 0.0979464 0.5806250 -0.0979464), wk = 0.0026954 k( 236) = ( 0.0783571 0.5645000 -0.0783571), wk = 0.0026954 k( 237) = ( 0.0587678 0.5483750 -0.0587678), wk = 0.0026954 k( 238) = ( 0.0391786 0.5322500 -0.0391786), wk = 0.0026954 k( 239) = ( 0.0195893 0.5161250 -0.0195893), wk = 0.0026954 k( 240) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026954 k( 241) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026954 k( 242) = ( 0.0058140 0.4941861 0.0058140), wk = 0.0026954 k( 243) = ( 0.0116279 0.4883721 0.0116279), wk = 0.0026954 k( 244) = ( 0.0174419 0.4825581 0.0174419), wk = 0.0026954 k( 245) = ( 0.0232558 0.4767442 0.0232558), wk = 0.0026954 k( 246) = ( 0.0290698 0.4709302 0.0290698), wk = 0.0026954 k( 247) = ( 0.0348837 0.4651163 0.0348837), wk = 0.0026954 k( 248) = ( 0.0406977 0.4593023 0.0406977), wk = 0.0026954 k( 249) = ( 0.0465116 0.4534884 0.0465116), wk = 0.0026954 k( 250) = ( 0.0523256 0.4476744 0.0523256), wk = 0.0026954 k( 251) = ( 0.0581395 0.4418605 0.0581395), wk = 0.0026954 k( 252) = ( 0.0639535 0.4360465 0.0639535), wk = 0.0026954 k( 253) = ( 0.0697674 0.4302326 0.0697674), wk = 0.0026954 k( 254) = ( 0.0755814 0.4244186 0.0755814), wk = 0.0026954 k( 255) = ( 0.0813954 0.4186047 0.0813953), wk = 0.0026954 k( 256) = ( 0.0872093 0.4127907 0.0872093), wk = 0.0026954 k( 257) = ( 0.0930233 0.4069767 0.0930233), wk = 0.0026954 k( 258) = ( 0.0988372 0.4011628 0.0988372), wk = 0.0026954 k( 259) = ( 0.1046512 0.3953488 0.1046512), wk = 0.0026954 k( 260) = ( 0.1104651 0.3895349 0.1104651), wk = 0.0026954 k( 261) = ( 0.1162791 0.3837209 0.1162791), wk = 0.0026954 k( 262) = ( 0.1220930 0.3779070 0.1220930), wk = 0.0026954 k( 263) = ( 0.1279070 0.3720930 0.1279070), wk = 0.0026954 k( 264) = ( 0.1337209 0.3662791 0.1337209), wk = 0.0026954 k( 265) = ( 0.1395349 0.3604651 0.1395349), wk = 0.0026954 k( 266) = ( 0.1453488 0.3546512 0.1453488), wk = 0.0026954 k( 267) = ( 0.1511628 0.3488372 0.1511628), wk = 0.0026954 k( 268) = ( 0.1569767 0.3430233 0.1569767), wk = 0.0026954 k( 269) = ( 0.1627907 0.3372093 0.1627907), wk = 0.0026954 k( 270) = ( 0.1686046 0.3313953 0.1686047), wk = 0.0026954 k( 271) = ( 0.1744186 0.3255814 0.1744186), wk = 0.0026954 k( 272) = ( 0.1802326 0.3197674 0.1802326), wk = 0.0026954 k( 273) = ( 0.1860465 0.3139535 0.1860465), wk = 0.0026954 k( 274) = ( 0.1918605 0.3081395 0.1918605), wk = 0.0026954 k( 275) = ( 0.1976744 0.3023256 0.1976744), wk = 0.0026954 k( 276) = ( 0.2034884 0.2965116 0.2034884), wk = 0.0026954 k( 277) = ( 0.2093023 0.2906977 0.2093023), wk = 0.0026954 k( 278) = ( 0.2151163 0.2848837 0.2151163), wk = 0.0026954 k( 279) = ( 0.2209302 0.2790698 0.2209302), wk = 0.0026954 k( 280) = ( 0.2267442 0.2732558 0.2267442), wk = 0.0026954 k( 281) = ( 0.2325581 0.2674419 0.2325581), wk = 0.0026954 k( 282) = ( 0.2383721 0.2616279 0.2383721), wk = 0.0026954 k( 283) = ( 0.2441860 0.2558140 0.2441861), wk = 0.0026954 k( 284) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026954 k( 285) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026954 k( 286) = ( 0.2666667 0.2666667 0.2301000), wk = 0.0026954 k( 287) = ( 0.2833333 0.2833333 0.2102000), wk = 0.0026954 k( 288) = ( 0.3000000 0.3000000 0.1903000), wk = 0.0026954 k( 289) = ( 0.3166667 0.3166667 0.1704000), wk = 0.0026954 k( 290) = ( 0.3333333 0.3333333 0.1505000), wk = 0.0026954 k( 291) = ( 0.3500000 0.3500000 0.1306001), wk = 0.0026954 k( 292) = ( 0.3666667 0.3666667 0.1107001), wk = 0.0026954 k( 293) = ( 0.3833333 0.3833333 0.0908001), wk = 0.0026954 k( 294) = ( 0.4000000 0.4000000 0.0709001), wk = 0.0026954 k( 295) = ( 0.4166667 0.4166667 0.0510001), wk = 0.0026954 k( 296) = ( 0.4333333 0.4333333 0.0311001), wk = 0.0026954 k( 297) = ( 0.4500000 0.4500000 0.0112001), wk = 0.0026954 k( 298) = ( 0.4666667 0.4666667 -0.0086999), wk = 0.0026954 k( 299) = ( 0.4833333 0.4833333 -0.0285999), wk = 0.0026954 k( 300) = ( 0.5000000 0.5000000 -0.0484999), wk = 0.0026954 k( 301) = ( 0.5000000 0.5000000 -0.0484999), wk = 0.0026954 k( 302) = ( 0.5000000 0.5000000 -0.0567090), wk = 0.0026954 k( 303) = ( 0.5000000 0.5000000 -0.0649181), wk = 0.0026954 k( 304) = ( 0.5000000 0.5000000 -0.0731272), wk = 0.0026954 k( 305) = ( 0.5000000 0.5000000 -0.0813362), wk = 0.0026954 k( 306) = ( 0.5000000 0.5000000 -0.0895453), wk = 0.0026954 k( 307) = ( 0.5000000 0.5000000 -0.0977544), wk = 0.0026954 k( 308) = ( 0.5000000 0.5000000 -0.1059635), wk = 0.0026954 k( 309) = ( 0.5000000 0.5000000 -0.1141726), wk = 0.0026954 k( 310) = ( 0.5000000 0.5000000 -0.1223817), wk = 0.0026954 k( 311) = ( 0.5000000 0.5000000 -0.1305908), wk = 0.0026954 k( 312) = ( 0.5000000 0.5000000 -0.1387999), wk = 0.0026954 k( 313) = ( 0.5000000 0.5000000 -0.1470090), wk = 0.0026954 k( 314) = ( 0.5000000 0.5000000 -0.1552181), wk = 0.0026954 k( 315) = ( 0.5000000 0.5000000 -0.1634272), wk = 0.0026954 k( 316) = ( 0.5000000 0.5000000 -0.1716363), wk = 0.0026954 k( 317) = ( 0.5000000 0.5000000 -0.1798454), wk = 0.0026954 k( 318) = ( 0.5000000 0.5000000 -0.1880545), wk = 0.0026954 k( 319) = ( 0.5000000 0.5000000 -0.1962636), wk = 0.0026954 k( 320) = ( 0.5000000 0.5000000 -0.2044726), wk = 0.0026954 k( 321) = ( 0.5000000 0.5000000 -0.2126817), wk = 0.0026954 k( 322) = ( 0.5000000 0.5000000 -0.2208908), wk = 0.0026954 k( 323) = ( 0.5000000 0.5000000 -0.2290999), wk = 0.0026954 k( 324) = ( 0.5000000 0.5000000 -0.2373090), wk = 0.0026954 k( 325) = ( 0.5000000 0.5000000 -0.2455181), wk = 0.0026954 k( 326) = ( 0.5000000 0.5000000 -0.2537272), wk = 0.0026954 k( 327) = ( 0.5000000 0.5000000 -0.2619363), wk = 0.0026954 k( 328) = ( 0.5000000 0.5000000 -0.2701454), wk = 0.0026954 k( 329) = ( 0.5000000 0.5000000 -0.2783545), wk = 0.0026954 k( 330) = ( 0.5000000 0.5000000 -0.2865636), wk = 0.0026954 k( 331) = ( 0.5000000 0.5000000 -0.2947727), wk = 0.0026954 k( 332) = ( 0.5000000 0.5000000 -0.3029818), wk = 0.0026954 k( 333) = ( 0.5000000 0.5000000 -0.3111909), wk = 0.0026954 k( 334) = ( 0.5000000 0.5000000 -0.3193999), wk = 0.0026954 k( 335) = ( 0.5000000 0.5000000 -0.3276090), wk = 0.0026954 k( 336) = ( 0.5000000 0.5000000 -0.3358181), wk = 0.0026954 k( 337) = ( 0.5000000 0.5000000 -0.3440272), wk = 0.0026954 k( 338) = ( 0.5000000 0.5000000 -0.3522363), wk = 0.0026954 k( 339) = ( 0.5000000 0.5000000 -0.3604454), wk = 0.0026954 k( 340) = ( 0.5000000 0.5000000 -0.3686545), wk = 0.0026954 k( 341) = ( 0.5000000 0.5000000 -0.3768636), wk = 0.0026954 k( 342) = ( 0.5000000 0.5000000 -0.3850727), wk = 0.0026954 k( 343) = ( 0.5000000 0.5000000 -0.3932818), wk = 0.0026954 k( 344) = ( 0.5000000 0.5000000 -0.4014909), wk = 0.0026954 k( 345) = ( 0.5000000 0.5000000 -0.4097000), wk = 0.0026954 k( 346) = ( 0.5000000 0.5000000 -0.4179091), wk = 0.0026954 k( 347) = ( 0.5000000 0.5000000 -0.4261182), wk = 0.0026954 k( 348) = ( 0.5000000 0.5000000 -0.4343272), wk = 0.0026954 k( 349) = ( 0.5000000 0.5000000 -0.4425364), wk = 0.0026954 k( 350) = ( 0.5000000 0.5000000 -0.4507454), wk = 0.0026954 k( 351) = ( 0.5000000 0.5000000 -0.4589545), wk = 0.0026954 k( 352) = ( 0.5000000 0.5000000 -0.4671636), wk = 0.0026954 k( 353) = ( 0.5000000 0.5000000 -0.4753727), wk = 0.0026954 k( 354) = ( 0.5000000 0.5000000 -0.4835818), wk = 0.0026954 k( 355) = ( 0.5000000 0.5000000 -0.4917909), wk = 0.0026954 k( 356) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026954 k( 357) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026954 k( 358) = ( 0.0178571 0.0178571 0.4821429), wk = 0.0026954 k( 359) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0026954 k( 360) = ( 0.0535714 0.0535714 0.4464286), wk = 0.0026954 k( 361) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0026954 k( 362) = ( 0.0892857 0.0892857 0.4107143), wk = 0.0026954 k( 363) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0026954 k( 364) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0026954 k( 365) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0026954 k( 366) = ( 0.1607143 0.1607143 0.3392857), wk = 0.0026954 k( 367) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0026954 k( 368) = ( 0.1964286 0.1964286 0.3035714), wk = 0.0026954 k( 369) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0026954 k( 370) = ( 0.2321429 0.2321429 0.2678571), wk = 0.0026954 k( 371) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026954 Dense grid: 53969 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 23901 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 172, 58) NL pseudopotentials 0.18 Mb ( 86, 138) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.01 Mb ( 1499) G-vector shells 0.01 Mb ( 691) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.61 Mb ( 172, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.24 Mb ( 138, 2, 58) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Ca2GeO4.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 5.6 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 7.8 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 9.9 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 12.1 secs Computing kpt #: 5 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 14.2 secs Computing kpt #: 6 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 16.3 secs Computing kpt #: 7 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 18.5 secs Computing kpt #: 8 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 20.6 secs Computing kpt #: 9 total cpu time spent up to now is 22.6 secs Computing kpt #: 10 total cpu time spent up to now is 24.1 secs Computing kpt #: 11 total cpu time spent up to now is 26.0 secs Computing kpt #: 12 total cpu time spent up to now is 28.0 secs Computing kpt #: 13 total cpu time spent up to now is 29.8 secs Computing kpt #: 14 total cpu time spent up to now is 31.0 secs Computing kpt #: 15 total cpu time spent up to now is 32.4 secs Computing kpt #: 16 total cpu time spent up to now is 33.9 secs Computing kpt #: 17 total cpu time spent up to now is 35.4 secs Computing kpt #: 18 total cpu time spent up to now is 36.9 secs Computing kpt #: 19 total cpu time spent up to now is 38.5 secs Computing kpt #: 20 total cpu time spent up to now is 40.0 secs Computing kpt #: 21 total cpu time spent up to now is 41.4 secs Computing kpt #: 22 total cpu time spent up to now is 43.0 secs Computing kpt #: 23 total cpu time spent up to now is 44.4 secs Computing kpt #: 24 total cpu time spent up to now is 45.9 secs Computing kpt #: 25 total cpu time spent up to now is 47.3 secs Computing kpt #: 26 total cpu time spent up to now is 49.0 secs Computing kpt #: 27 total cpu time spent up to now is 50.6 secs Computing kpt #: 28 total cpu time spent up to now is 52.4 secs Computing kpt #: 29 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 54.7 secs Computing kpt #: 30 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 56.9 secs Computing kpt #: 31 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 59.2 secs Computing kpt #: 32 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 61.5 secs Computing kpt #: 33 total cpu time spent up to now is 63.6 secs Computing kpt #: 34 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 66.0 secs Computing kpt #: 35 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 68.2 secs Computing kpt #: 36 total cpu time spent up to now is 69.8 secs Computing kpt #: 37 total cpu time spent up to now is 71.4 secs Computing kpt #: 38 total cpu time spent up to now is 72.7 secs Computing kpt #: 39 total cpu time spent up to now is 74.0 secs Computing kpt #: 40 total cpu time spent up to now is 75.3 secs Computing kpt #: 41 total cpu time spent up to now is 76.6 secs Computing kpt #: 42 total cpu time spent up to now is 77.8 secs Computing kpt #: 43 total cpu time spent up to now is 79.1 secs Computing kpt #: 44 total cpu time spent up to now is 80.4 secs Computing kpt #: 45 total cpu time spent up to now is 81.7 secs Computing kpt #: 46 total cpu time spent up to now is 83.0 secs Computing kpt #: 47 total cpu time spent up to now is 84.3 secs Computing kpt #: 48 total cpu time spent up to now is 85.7 secs Computing kpt #: 49 total cpu time spent up to now is 87.6 secs Computing kpt #: 50 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 89.9 secs Computing kpt #: 51 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 92.0 secs Computing kpt #: 52 total cpu time spent up to now is 93.3 secs Computing kpt #: 53 total cpu time spent up to now is 94.7 secs Computing kpt #: 54 total cpu time spent up to now is 96.1 secs Computing kpt #: 55 total cpu time spent up to now is 97.4 secs Computing kpt #: 56 total cpu time spent up to now is 98.8 secs Computing kpt #: 57 total cpu time spent up to now is 100.1 secs Computing kpt #: 58 total cpu time spent up to now is 101.5 secs Computing kpt #: 59 total cpu time spent up to now is 103.0 secs Computing kpt #: 60 total cpu time spent up to now is 104.3 secs Computing kpt #: 61 total cpu time spent up to now is 105.7 secs Computing kpt #: 62 total cpu time spent up to now is 107.1 secs Computing kpt #: 63 total cpu time spent up to now is 108.5 secs Computing kpt #: 64 total cpu time spent up to now is 109.8 secs Computing kpt #: 65 total cpu time spent up to now is 111.2 secs Computing kpt #: 66 total cpu time spent up to now is 112.6 secs Computing kpt #: 67 total cpu time spent up to now is 114.1 secs Computing kpt #: 68 total cpu time spent up to now is 115.6 secs Computing kpt #: 69 total cpu time spent up to now is 117.2 secs Computing kpt #: 70 total cpu time spent up to now is 118.7 secs Computing kpt #: 71 total cpu time spent up to now is 120.3 secs Computing kpt #: 72 total cpu time spent up to now is 122.0 secs Computing kpt #: 73 total cpu time spent up to now is 123.7 secs Computing kpt #: 74 total cpu time spent up to now is 125.4 secs Computing kpt #: 75 total cpu time spent up to now is 127.2 secs Computing kpt #: 76 total cpu time spent up to now is 128.8 secs Computing kpt #: 77 total cpu time spent up to now is 130.3 secs Computing kpt #: 78 total cpu time spent up to now is 131.5 secs Computing kpt #: 79 total cpu time spent up to now is 132.8 secs Computing kpt #: 80 total cpu time spent up to now is 134.0 secs Computing kpt #: 81 total cpu time spent up to now is 135.2 secs Computing kpt #: 82 total cpu time spent up to now is 136.5 secs Computing kpt #: 83 total cpu time spent up to now is 137.7 secs Computing kpt #: 84 total cpu time spent up to now is 139.0 secs Computing kpt #: 85 total cpu time spent up to now is 140.3 secs Computing kpt #: 86 total cpu time spent up to now is 141.6 secs Computing kpt #: 87 total cpu time spent up to now is 143.0 secs Computing kpt #: 88 total cpu time spent up to now is 144.5 secs Computing kpt #: 89 total cpu time spent up to now is 145.9 secs Computing kpt #: 90 total cpu time spent up to now is 147.4 secs Computing kpt #: 91 total cpu time spent up to now is 148.8 secs Computing kpt #: 92 total cpu time spent up to now is 150.2 secs Computing kpt #: 93 total cpu time spent up to now is 151.8 secs Computing kpt #: 94 total cpu time spent up to now is 153.2 secs Computing kpt #: 95 total cpu time spent up to now is 155.1 secs Computing kpt #: 96 total cpu time spent up to now is 157.1 secs Computing kpt #: 97 total cpu time spent up to now is 159.1 secs Computing kpt #: 98 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 161.3 secs Computing kpt #: 99 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 163.5 secs Computing kpt #: 100 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 165.7 secs Computing kpt #: 101 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 167.9 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 170.1 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 172.3 secs Computing kpt #: 104 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 174.5 secs Computing kpt #: 105 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 176.6 secs Computing kpt #: 106 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 178.8 secs Computing kpt #: 107 total cpu time spent up to now is 180.8 secs Computing kpt #: 108 total cpu time spent up to now is 183.0 secs Computing kpt #: 109 total cpu time spent up to now is 185.2 secs Computing kpt #: 110 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 187.4 secs Computing kpt #: 111 total cpu time spent up to now is 189.0 secs Computing kpt #: 112 total cpu time spent up to now is 190.6 secs Computing kpt #: 113 total cpu time spent up to now is 192.0 secs Computing kpt #: 114 total cpu time spent up to now is 193.5 secs Computing kpt #: 115 total cpu time spent up to now is 194.9 secs Computing kpt #: 116 total cpu time spent up to now is 196.4 secs Computing kpt #: 117 total cpu time spent up to now is 197.8 secs Computing kpt #: 118 total cpu time spent up to now is 199.2 secs Computing kpt #: 119 total cpu time spent up to now is 200.5 secs Computing kpt #: 120 total cpu time spent up to now is 201.8 secs Computing kpt #: 121 total cpu time spent up to now is 203.1 secs Computing kpt #: 122 total cpu time spent up to now is 204.4 secs Computing kpt #: 123 total cpu time spent up to now is 205.7 secs Computing kpt #: 124 total cpu time spent up to now is 207.0 secs Computing kpt #: 125 total cpu time spent up to now is 208.3 secs Computing kpt #: 126 total cpu time spent up to now is 209.6 secs Computing kpt #: 127 total cpu time spent up to now is 211.0 secs Computing kpt #: 128 total cpu time spent up to now is 212.3 secs Computing kpt #: 129 total cpu time spent up to now is 213.7 secs Computing kpt #: 130 total cpu time spent up to now is 215.1 secs Computing kpt #: 131 total cpu time spent up to now is 216.4 secs Computing kpt #: 132 total cpu time spent up to now is 217.7 secs Computing kpt #: 133 total cpu time spent up to now is 219.1 secs Computing kpt #: 134 total cpu time spent up to now is 220.4 secs Computing kpt #: 135 total cpu time spent up to now is 221.8 secs Computing kpt #: 136 total cpu time spent up to now is 223.1 secs Computing kpt #: 137 total cpu time spent up to now is 224.6 secs Computing kpt #: 138 total cpu time spent up to now is 225.9 secs Computing kpt #: 139 total cpu time spent up to now is 227.2 secs Computing kpt #: 140 total cpu time spent up to now is 228.5 secs Computing kpt #: 141 total cpu time spent up to now is 229.9 secs Computing kpt #: 142 total cpu time spent up to now is 231.2 secs Computing kpt #: 143 total cpu time spent up to now is 232.5 secs Computing kpt #: 144 total cpu time spent up to now is 233.9 secs Computing kpt #: 145 total cpu time spent up to now is 235.5 secs Computing kpt #: 146 total cpu time spent up to now is 237.1 secs Computing kpt #: 147 total cpu time spent up to now is 239.0 secs Computing kpt #: 148 total cpu time spent up to now is 240.4 secs Computing kpt #: 149 total cpu time spent up to now is 242.5 secs Computing kpt #: 150 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 244.6 secs Computing kpt #: 151 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 246.7 secs Computing kpt #: 152 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 248.8 secs Computing kpt #: 153 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 251.0 secs Computing kpt #: 154 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 253.1 secs Computing kpt #: 155 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 255.2 secs Computing kpt #: 156 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 257.4 secs Computing kpt #: 157 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 259.5 secs Computing kpt #: 158 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 261.6 secs Computing kpt #: 159 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 263.8 secs Computing kpt #: 160 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 265.9 secs Computing kpt #: 161 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 268.0 secs Computing kpt #: 162 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 270.1 secs Computing kpt #: 163 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 272.2 secs Computing kpt #: 164 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 274.4 secs Computing kpt #: 165 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 276.5 secs Computing kpt #: 166 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 278.6 secs Computing kpt #: 167 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 280.8 secs Computing kpt #: 168 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 283.0 secs Computing kpt #: 169 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 285.2 secs Computing kpt #: 170 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 287.3 secs Computing kpt #: 171 total cpu time spent up to now is 288.6 secs Computing kpt #: 172 total cpu time spent up to now is 289.9 secs Computing kpt #: 173 total cpu time spent up to now is 291.4 secs Computing kpt #: 174 total cpu time spent up to now is 293.4 secs Computing kpt #: 175 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 295.4 secs Computing kpt #: 176 total cpu time spent up to now is 297.0 secs Computing kpt #: 177 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 299.1 secs Computing kpt #: 178 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 301.2 secs Computing kpt #: 179 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 303.3 secs Computing kpt #: 180 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 305.5 secs Computing kpt #: 181 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 307.6 secs Computing kpt #: 182 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 309.7 secs Computing kpt #: 183 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 311.9 secs Computing kpt #: 184 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 314.0 secs Computing kpt #: 185 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 316.1 secs Computing kpt #: 186 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 318.2 secs Computing kpt #: 187 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 320.3 secs Computing kpt #: 188 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 322.4 secs Computing kpt #: 189 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 324.5 secs Computing kpt #: 190 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 326.6 secs Computing kpt #: 191 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 328.6 secs Computing kpt #: 192 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 330.7 secs Computing kpt #: 193 total cpu time spent up to now is 332.8 secs Computing kpt #: 194 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 334.9 secs Computing kpt #: 195 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 337.0 secs Computing kpt #: 196 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 339.1 secs Computing kpt #: 197 total cpu time spent up to now is 341.1 secs Computing kpt #: 198 total cpu time spent up to now is 342.9 secs Computing kpt #: 199 total cpu time spent up to now is 344.9 secs Computing kpt #: 200 total cpu time spent up to now is 346.9 secs Computing kpt #: 201 total cpu time spent up to now is 348.7 secs Computing kpt #: 202 total cpu time spent up to now is 350.5 secs Computing kpt #: 203 total cpu time spent up to now is 352.2 secs Computing kpt #: 204 total cpu time spent up to now is 353.8 secs Computing kpt #: 205 total cpu time spent up to now is 355.4 secs Computing kpt #: 206 total cpu time spent up to now is 357.0 secs Computing kpt #: 207 total cpu time spent up to now is 358.6 secs Computing kpt #: 208 total cpu time spent up to now is 360.2 secs Computing kpt #: 209 total cpu time spent up to now is 361.9 secs Computing kpt #: 210 total cpu time spent up to now is 363.5 secs Computing kpt #: 211 total cpu time spent up to now is 365.1 secs Computing kpt #: 212 total cpu time spent up to now is 366.7 secs Computing kpt #: 213 total cpu time spent up to now is 368.4 secs Computing kpt #: 214 total cpu time spent up to now is 370.2 secs Computing kpt #: 215 total cpu time spent up to now is 372.1 secs Computing kpt #: 216 total cpu time spent up to now is 374.1 secs Computing kpt #: 217 total cpu time spent up to now is 376.1 secs Computing kpt #: 218 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 378.3 secs Computing kpt #: 219 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 380.4 secs Computing kpt #: 220 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 382.6 secs Computing kpt #: 221 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 384.8 secs Computing kpt #: 222 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 387.0 secs Computing kpt #: 223 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 389.1 secs Computing kpt #: 224 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 391.2 secs Computing kpt #: 225 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 393.3 secs Computing kpt #: 226 total cpu time spent up to now is 395.3 secs Computing kpt #: 227 total cpu time spent up to now is 397.3 secs Computing kpt #: 228 total cpu time spent up to now is 398.9 secs Computing kpt #: 229 total cpu time spent up to now is 400.9 secs Computing kpt #: 230 total cpu time spent up to now is 402.9 secs Computing kpt #: 231 total cpu time spent up to now is 404.3 secs Computing kpt #: 232 total cpu time spent up to now is 405.8 secs Computing kpt #: 233 total cpu time spent up to now is 407.7 secs Computing kpt #: 234 total cpu time spent up to now is 409.8 secs Computing kpt #: 235 total cpu time spent up to now is 411.5 secs Computing kpt #: 236 total cpu time spent up to now is 413.2 secs Computing kpt #: 237 total cpu time spent up to now is 415.4 secs Computing kpt #: 238 total cpu time spent up to now is 417.0 secs Computing kpt #: 239 total cpu time spent up to now is 418.5 secs Computing kpt #: 240 total cpu time spent up to now is 420.3 secs Computing kpt #: 241 total cpu time spent up to now is 422.0 secs Computing kpt #: 242 total cpu time spent up to now is 423.5 secs Computing kpt #: 243 total cpu time spent up to now is 425.3 secs Computing kpt #: 244 total cpu time spent up to now is 426.8 secs Computing kpt #: 245 total cpu time spent up to now is 428.5 secs Computing kpt #: 246 total cpu time spent up to now is 430.1 secs Computing kpt #: 247 total cpu time spent up to now is 432.0 secs Computing kpt #: 248 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 434.2 secs Computing kpt #: 249 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 436.4 secs Computing kpt #: 250 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 438.6 secs Computing kpt #: 251 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 440.8 secs Computing kpt #: 252 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 443.0 secs Computing kpt #: 253 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 445.1 secs Computing kpt #: 254 total cpu time spent up to now is 446.4 secs Computing kpt #: 255 total cpu time spent up to now is 447.7 secs Computing kpt #: 256 total cpu time spent up to now is 449.1 secs Computing kpt #: 257 total cpu time spent up to now is 450.4 secs Computing kpt #: 258 total cpu time spent up to now is 451.7 secs Computing kpt #: 259 total cpu time spent up to now is 453.0 secs Computing kpt #: 260 total cpu time spent up to now is 454.4 secs Computing kpt #: 261 total cpu time spent up to now is 455.8 secs Computing kpt #: 262 total cpu time spent up to now is 457.7 secs Computing kpt #: 263 total cpu time spent up to now is 459.6 secs Computing kpt #: 264 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 461.9 secs Computing kpt #: 265 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 464.1 secs Computing kpt #: 266 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 466.3 secs Computing kpt #: 267 total cpu time spent up to now is 468.4 secs Computing kpt #: 268 total cpu time spent up to now is 470.5 secs Computing kpt #: 269 total cpu time spent up to now is 472.3 secs Computing kpt #: 270 total cpu time spent up to now is 474.3 secs Computing kpt #: 271 total cpu time spent up to now is 476.5 secs Computing kpt #: 272 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 478.6 secs Computing kpt #: 273 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 480.8 secs Computing kpt #: 274 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 483.5 secs Computing kpt #: 275 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 485.6 secs Computing kpt #: 276 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 487.8 secs Computing kpt #: 277 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 490.0 secs Computing kpt #: 278 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 492.2 secs Computing kpt #: 279 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 494.3 secs Computing kpt #: 280 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 496.4 secs Computing kpt #: 281 total cpu time spent up to now is 498.5 secs Computing kpt #: 282 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 500.6 secs Computing kpt #: 283 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 502.8 secs Computing kpt #: 284 total cpu time spent up to now is 504.6 secs Computing kpt #: 285 total cpu time spent up to now is 506.6 secs Computing kpt #: 286 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 509.0 secs Computing kpt #: 287 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 511.2 secs Computing kpt #: 288 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 513.3 secs Computing kpt #: 289 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 515.5 secs Computing kpt #: 290 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 517.8 secs Computing kpt #: 291 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 519.9 secs Computing kpt #: 292 total cpu time spent up to now is 521.7 secs Computing kpt #: 293 total cpu time spent up to now is 523.4 secs Computing kpt #: 294 total cpu time spent up to now is 525.0 secs Computing kpt #: 295 total cpu time spent up to now is 526.4 secs Computing kpt #: 296 total cpu time spent up to now is 528.0 secs Computing kpt #: 297 total cpu time spent up to now is 529.5 secs Computing kpt #: 298 total cpu time spent up to now is 531.1 secs Computing kpt #: 299 total cpu time spent up to now is 532.6 secs Computing kpt #: 300 total cpu time spent up to now is 534.1 secs Computing kpt #: 301 total cpu time spent up to now is 535.7 secs Computing kpt #: 302 total cpu time spent up to now is 537.4 secs Computing kpt #: 303 total cpu time spent up to now is 539.1 secs Computing kpt #: 304 total cpu time spent up to now is 540.8 secs Computing kpt #: 305 total cpu time spent up to now is 542.5 secs Computing kpt #: 306 total cpu time spent up to now is 544.0 secs Computing kpt #: 307 total cpu time spent up to now is 545.5 secs Computing kpt #: 308 total cpu time spent up to now is 546.8 secs Computing kpt #: 309 total cpu time spent up to now is 548.1 secs Computing kpt #: 310 total cpu time spent up to now is 549.3 secs Computing kpt #: 311 total cpu time spent up to now is 550.6 secs Computing kpt #: 312 total cpu time spent up to now is 551.9 secs Computing kpt #: 313 total cpu time spent up to now is 553.2 secs Computing kpt #: 314 total cpu time spent up to now is 554.7 secs Computing kpt #: 315 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 556.8 secs Computing kpt #: 316 total cpu time spent up to now is 558.7 secs Computing kpt #: 317 total cpu time spent up to now is 560.4 secs Computing kpt #: 318 total cpu time spent up to now is 562.0 secs Computing kpt #: 319 total cpu time spent up to now is 563.4 secs Computing kpt #: 320 total cpu time spent up to now is 564.7 secs Computing kpt #: 321 total cpu time spent up to now is 566.1 secs Computing kpt #: 322 total cpu time spent up to now is 567.4 secs Computing kpt #: 323 total cpu time spent up to now is 568.7 secs Computing kpt #: 324 total cpu time spent up to now is 570.1 secs Computing kpt #: 325 total cpu time spent up to now is 571.3 secs Computing kpt #: 326 total cpu time spent up to now is 572.8 secs Computing kpt #: 327 total cpu time spent up to now is 574.1 secs Computing kpt #: 328 total cpu time spent up to now is 575.4 secs Computing kpt #: 329 total cpu time spent up to now is 576.8 secs Computing kpt #: 330 total cpu time spent up to now is 578.1 secs Computing kpt #: 331 total cpu time spent up to now is 579.5 secs Computing kpt #: 332 total cpu time spent up to now is 580.8 secs Computing kpt #: 333 total cpu time spent up to now is 582.1 secs Computing kpt #: 334 total cpu time spent up to now is 583.4 secs Computing kpt #: 335 total cpu time spent up to now is 584.8 secs Computing kpt #: 336 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 586.9 secs Computing kpt #: 337 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 589.0 secs Computing kpt #: 338 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 591.1 secs Computing kpt #: 339 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 593.2 secs Computing kpt #: 340 total cpu time spent up to now is 595.2 secs Computing kpt #: 341 total cpu time spent up to now is 597.0 secs Computing kpt #: 342 total cpu time spent up to now is 598.7 secs Computing kpt #: 343 total cpu time spent up to now is 600.7 secs Computing kpt #: 344 total cpu time spent up to now is 602.6 secs Computing kpt #: 345 total cpu time spent up to now is 604.4 secs Computing kpt #: 346 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 606.5 secs Computing kpt #: 347 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 608.6 secs Computing kpt #: 348 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 610.7 secs Computing kpt #: 349 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 612.8 secs Computing kpt #: 350 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 615.0 secs Computing kpt #: 351 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 617.1 secs Computing kpt #: 352 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 619.2 secs Computing kpt #: 353 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 621.4 secs Computing kpt #: 354 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 623.5 secs Computing kpt #: 355 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 625.6 secs Computing kpt #: 356 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 627.7 secs Computing kpt #: 357 total cpu time spent up to now is 629.0 secs Computing kpt #: 358 total cpu time spent up to now is 630.4 secs Computing kpt #: 359 total cpu time spent up to now is 631.8 secs Computing kpt #: 360 total cpu time spent up to now is 633.2 secs Computing kpt #: 361 total cpu time spent up to now is 634.5 secs Computing kpt #: 362 total cpu time spent up to now is 635.8 secs Computing kpt #: 363 total cpu time spent up to now is 637.3 secs Computing kpt #: 364 total cpu time spent up to now is 639.0 secs Computing kpt #: 365 total cpu time spent up to now is 640.7 secs Computing kpt #: 366 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 642.8 secs Computing kpt #: 367 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 645.0 secs Computing kpt #: 368 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 647.1 secs Computing kpt #: 369 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 649.3 secs Computing kpt #: 370 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 651.4 secs Computing kpt #: 371 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 653.5 secs ethr = 2.08E-08, avg # of iterations = 86.0 total cpu time spent up to now is 653.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2985 PWs) bands (ev): -29.8010 -29.8010 -29.7519 -29.7519 -11.7901 -11.7901 -11.0240 -11.0240 -10.9287 -10.9287 -10.6724 -10.6724 -10.6723 -10.6723 -10.6222 -10.6222 -10.3651 -10.3651 -7.9654 -7.9654 -7.6100 -7.6100 -7.0119 -7.0119 1.9087 1.9087 1.9781 1.9781 3.8341 3.8341 4.3895 4.3895 6.5689 6.5689 7.1607 7.1607 7.1840 7.1840 7.2383 7.2383 7.2654 7.2654 7.7556 7.7556 8.0321 8.0321 8.0559 8.0559 11.6144 11.6144 13.4349 13.4349 13.8695 13.8695 14.3506 14.3506 14.9253 14.9297 k = 0.0000 0.0000 0.0203 ( 2993 PWs) bands (ev): -29.8009 -29.8009 -29.7519 -29.7519 -11.7896 -11.7896 -11.0245 -11.0245 -10.9292 -10.9292 -10.6772 -10.6772 -10.6679 -10.6679 -10.6236 -10.6236 -10.3628 -10.3628 -7.9662 -7.9662 -7.6095 -7.6095 -7.0119 -7.0119 1.9076 1.9076 1.9773 1.9773 3.8343 3.8343 4.3937 4.3937 6.5663 6.5663 7.1591 7.1591 7.1827 7.1827 7.2379 7.2379 7.2653 7.2653 7.7570 7.7570 8.0303 8.0303 8.0541 8.0541 11.6183 11.6183 13.4379 13.4379 13.8689 13.8689 14.3524 14.3524 14.9273 14.9299 k = 0.0000 0.0000 0.0407 ( 2995 PWs) bands (ev): -29.8008 -29.8008 -29.7519 -29.7519 -11.7882 -11.7882 -11.0257 -11.0257 -10.9304 -10.9304 -10.6824 -10.6824 -10.6640 -10.6640 -10.6276 -10.6276 -10.3560 -10.3560 -7.9688 -7.9688 -7.6083 -7.6083 -7.0121 -7.0121 1.9020 1.9020 1.9770 1.9770 3.8348 3.8348 4.4060 4.4060 6.5586 6.5586 7.1528 7.1528 7.1806 7.1806 7.2347 7.2347 7.2668 7.2668 7.7609 7.7609 8.0238 8.0238 8.0499 8.0499 11.6300 11.6300 13.4470 13.4470 13.8674 13.8674 14.3577 14.3577 14.9323 14.9338 k = 0.0000 0.0000 0.0610 ( 2999 PWs) bands (ev): -29.8007 -29.8007 -29.7518 -29.7518 -11.7859 -11.7859 -11.0277 -11.0277 -10.9325 -10.9325 -10.6881 -10.6881 -10.6607 -10.6607 -10.6335 -10.6335 -10.3453 -10.3453 -7.9731 -7.9731 -7.6062 -7.6062 -7.0123 -7.0123 1.8872 1.8872 1.9822 1.9822 3.8357 3.8357 4.4262 4.4262 6.5462 6.5462 7.1392 7.1392 7.1803 7.1803 7.2256 7.2256 7.2732 7.2732 7.7673 7.7673 8.0108 8.0108 8.0451 8.0451 11.6493 11.6493 13.4618 13.4618 13.8650 13.8650 14.3666 14.3666 14.9387 14.9423 k = 0.0000 0.0000 0.0813 ( 2993 PWs) bands (ev): -29.8005 -29.8005 -29.7518 -29.7518 -11.7827 -11.7827 -11.0305 -11.0305 -10.9353 -10.9353 -10.6941 -10.6941 -10.6586 -10.6586 -10.6399 -10.6399 -10.3312 -10.3312 -7.9790 -7.9790 -7.6034 -7.6034 -7.0127 -7.0127 1.8611 1.8611 1.9956 1.9956 3.8369 3.8369 4.4538 4.4538 6.5295 6.5295 7.1181 7.1181 7.1823 7.1823 7.2107 7.2107 7.2843 7.2843 7.7755 7.7755 7.9909 7.9909 8.0407 8.0407 11.6759 11.6759 13.4823 13.4823 13.8619 13.8619 14.3790 14.3790 14.9475 14.9480 k = 0.0000 0.0000 0.1017 ( 2997 PWs) bands (ev): -29.8002 -29.8002 -29.7518 -29.7518 -11.7785 -11.7785 -11.0341 -11.0341 -10.9388 -10.9388 -10.7006 -10.7006 -10.6597 -10.6597 -10.6443 -10.6443 -10.3145 -10.3145 -7.9866 -7.9866 -7.5997 -7.5997 -7.0131 -7.0131 1.8250 1.8250 2.0166 2.0166 3.8384 3.8384 4.4881 4.4881 6.5089 6.5089 7.0902 7.0902 7.1854 7.1854 7.1917 7.1917 7.2987 7.2987 7.7853 7.7853 7.9648 7.9648 8.0364 8.0364 11.7096 11.7096 13.5080 13.5080 13.8584 13.8584 14.3948 14.3948 14.9586 14.9650 k = 0.0000 0.0000 0.1220 ( 2993 PWs) bands (ev): -29.7999 -29.7999 -29.7517 -29.7517 -11.7734 -11.7734 -11.0385 -11.0385 -10.9431 -10.9431 -10.7076 -10.7076 -10.6656 -10.6656 -10.6446 -10.6446 -10.2956 -10.2956 -7.9957 -7.9957 -7.5954 -7.5954 -7.0138 -7.0138 1.7804 1.7804 2.0441 2.0441 3.8404 3.8404 4.5284 4.5284 6.4852 6.4852 7.0562 7.0562 7.1677 7.1677 7.1913 7.1913 7.3155 7.3155 7.7961 7.7961 7.9333 7.9333 8.0317 8.0317 11.7501 11.7501 13.5386 13.5386 13.8547 13.8547 14.4141 14.4141 14.9722 14.9736 k = 0.0000 0.0000 0.1423 ( 3001 PWs) bands (ev): -29.7995 -29.7995 -29.7517 -29.7517 -11.7675 -11.7675 -11.0437 -11.0437 -10.9481 -10.9481 -10.7150 -10.7150 -10.6737 -10.6737 -10.6430 -10.6430 -10.2751 -10.2751 -8.0065 -8.0065 -7.5903 -7.5903 -7.0146 -7.0146 1.7286 1.7286 2.0775 2.0775 3.8428 3.8428 4.5740 4.5740 6.4589 6.4589 7.0166 7.0166 7.1417 7.1417 7.1973 7.1973 7.3340 7.3340 7.8072 7.8072 7.8973 7.8973 8.0266 8.0266 11.7968 11.7968 13.5735 13.5735 13.8512 13.8512 14.4366 14.4366 14.9881 14.9881 k = 0.0000 0.0000 0.1627 ( 3001 PWs) bands (ev): -29.7991 -29.7991 -29.7516 -29.7516 -11.7607 -11.7607 -11.0497 -11.0497 -10.9537 -10.9537 -10.7228 -10.7228 -10.6821 -10.6821 -10.6409 -10.6409 -10.2532 -10.2532 -8.0187 -8.0187 -7.5847 -7.5847 -7.0156 -7.0156 1.6709 1.6709 2.1163 2.1163 3.8456 3.8456 4.6239 4.6239 6.4304 6.4304 6.9719 6.9719 7.1133 7.1133 7.2044 7.2044 7.3535 7.3535 7.8174 7.8174 7.8587 7.8587 8.0209 8.0209 11.8494 11.8494 13.6122 13.6122 13.8481 13.8481 14.4625 14.4625 15.0066 15.0066 k = 0.0000 0.0000 0.1830 ( 3005 PWs) bands (ev): -29.7986 -29.7986 -29.7515 -29.7515 -11.7530 -11.7530 -11.0564 -11.0564 -10.9598 -10.9598 -10.7308 -10.7308 -10.6905 -10.6905 -10.6389 -10.6389 -10.2303 -10.2303 -8.0323 -8.0323 -7.5784 -7.5784 -7.0169 -7.0169 1.6079 1.6079 2.1604 2.1604 3.8488 3.8488 4.6775 4.6775 6.4002 6.4002 6.9225 6.9225 7.0830 7.0830 7.2126 7.2126 7.3736 7.3736 7.8064 7.8064 7.8379 7.8379 8.0147 8.0147 11.9074 11.9074 13.6542 13.6542 13.8458 13.8458 14.4914 14.4914 15.0278 15.0278 k = 0.0000 0.0000 0.2033 ( 3001 PWs) bands (ev): -29.7981 -29.7981 -29.7514 -29.7514 -11.7445 -11.7445 -11.0637 -11.0637 -10.9663 -10.9663 -10.7389 -10.7389 -10.6985 -10.6985 -10.6369 -10.6369 -10.2066 -10.2066 -8.0473 -8.0473 -7.5717 -7.5717 -7.0185 -7.0185 1.5405 1.5405 2.2095 2.2095 3.8526 3.8526 4.7341 4.7341 6.3686 6.3686 6.8689 6.8689 7.0512 7.0512 7.2217 7.2217 7.3940 7.3940 7.7626 7.7626 7.8468 7.8468 8.0080 8.0080 11.9705 11.9705 13.6990 13.6990 13.8445 13.8445 14.5236 14.5236 15.0516 15.0516 k = 0.0000 0.0000 0.2237 ( 2995 PWs) bands (ev): -29.7975 -29.7975 -29.7514 -29.7514 -11.7352 -11.7352 -11.0718 -11.0718 -10.9732 -10.9732 -10.7469 -10.7469 -10.7062 -10.7062 -10.6352 -10.6352 -10.1823 -10.1823 -8.0636 -8.0636 -7.5645 -7.5645 -7.0204 -7.0204 1.4693 1.4693 2.2635 2.2635 3.8569 3.8569 4.7929 4.7929 6.3360 6.3360 6.8116 6.8116 7.0182 7.0182 7.2318 7.2318 7.4141 7.4141 7.7139 7.7139 7.8580 7.8580 8.0008 8.0008 12.0382 12.0382 13.7458 13.7458 13.8444 13.8444 14.5587 14.5587 15.0780 15.0780 k = 0.0000 0.0000 0.2440 ( 2991 PWs) bands (ev): -29.7969 -29.7969 -29.7513 -29.7513 -11.7252 -11.7252 -11.0804 -11.0804 -10.9802 -10.9802 -10.7549 -10.7549 -10.7136 -10.7136 -10.6336 -10.6336 -10.1575 -10.1575 -8.0811 -8.0811 -7.5569 -7.5569 -7.0227 -7.0227 1.3950 1.3950 2.3222 2.3222 3.8617 3.8617 4.8533 4.8533 6.3027 6.3027 6.7512 6.7512 6.9843 6.9843 7.2429 7.2429 7.4339 7.4339 7.6630 7.6630 7.8693 7.8693 7.9931 7.9931 12.1101 12.1101 13.7941 13.7941 13.8459 13.8459 14.5967 14.5967 15.1069 15.1069 k = 0.0000 0.0000 0.2644 ( 2993 PWs) bands (ev): -29.7962 -29.7962 -29.7512 -29.7512 -11.7145 -11.7145 -11.0897 -11.0897 -10.9873 -10.9873 -10.7626 -10.7626 -10.7208 -10.7208 -10.6324 -10.6324 -10.1322 -10.1322 -8.0996 -8.0996 -7.5491 -7.5491 -7.0254 -7.0254 1.3180 1.3180 2.3856 2.3856 3.8672 3.8672 4.9146 4.9146 6.2688 6.2688 6.6881 6.6881 6.9498 6.9498 7.2548 7.2548 7.4530 7.4530 7.6106 7.6106 7.8802 7.8802 7.9851 7.9851 12.1860 12.1860 13.8427 13.8427 13.8496 13.8496 14.6374 14.6374 15.1383 15.1383 k = 0.0000 0.0000 0.2847 ( 2991 PWs) bands (ev): -29.7955 -29.7955 -29.7510 -29.7510 -11.7031 -11.7031 -11.0994 -11.0994 -10.9944 -10.9944 -10.7702 -10.7702 -10.7278 -10.7278 -10.6313 -10.6313 -10.1066 -10.1066 -8.1192 -8.1192 -7.5410 -7.5410 -7.0286 -7.0286 1.2388 1.2388 2.4533 2.4533 3.8733 3.8733 4.9762 4.9762 6.2346 6.2346 6.6230 6.6230 6.9150 6.9150 7.2677 7.2677 7.4713 7.4713 7.5573 7.5573 7.8907 7.8907 7.9766 7.9766 12.2654 12.2654 13.8535 13.8535 13.8936 13.8936 14.6808 14.6808 15.1721 15.1721 k = 0.0000 0.0000 0.3050 ( 2987 PWs) bands (ev): -29.7947 -29.7947 -29.7509 -29.7509 -11.6910 -11.6910 -11.1095 -11.1095 -11.0013 -11.0013 -10.7776 -10.7776 -10.7347 -10.7347 -10.6305 -10.6305 -10.0808 -10.0808 -8.1398 -8.1398 -7.5328 -7.5328 -7.0323 -7.0323 1.1578 1.1578 2.5253 2.5253 3.8801 3.8801 5.0374 5.0374 6.2002 6.2002 6.5567 6.5567 6.8799 6.8799 7.2814 7.2814 7.4885 7.4885 7.5035 7.5035 7.9006 7.9006 7.9680 7.9680 12.3482 12.3482 13.8603 13.8603 13.9436 13.9436 14.7267 14.7267 15.2083 15.2083 k = 0.0000 0.0000 0.3254 ( 2991 PWs) bands (ev): -29.7939 -29.7939 -29.7508 -29.7508 -11.6784 -11.6784 -11.1198 -11.1198 -11.0080 -11.0080 -10.7848 -10.7848 -10.7415 -10.7415 -10.6299 -10.6299 -10.0548 -10.0548 -8.1611 -8.1611 -7.5246 -7.5246 -7.0366 -7.0366 1.0753 1.0753 2.6015 2.6015 3.8876 3.8876 5.0976 5.0976 6.1659 6.1659 6.4897 6.4897 6.8449 6.8449 7.2961 7.2961 7.4495 7.4495 7.5049 7.5049 7.9097 7.9097 7.9593 7.9593 12.4340 12.4340 13.8691 13.8691 13.9933 13.9933 14.7749 14.7749 15.2468 15.2468 k = 0.0000 0.0000 0.3457 ( 2995 PWs) bands (ev): -29.7931 -29.7931 -29.7507 -29.7507 -11.6652 -11.6652 -11.1304 -11.1304 -11.0145 -11.0145 -10.7918 -10.7918 -10.7481 -10.7481 -10.6296 -10.6296 -10.0286 -10.0286 -8.1832 -8.1832 -7.5164 -7.5164 -7.0416 -7.0416 0.9918 0.9918 2.6816 2.6816 3.8960 3.8960 5.1558 5.1558 6.1316 6.1316 6.4232 6.4232 6.8100 6.8100 7.3115 7.3115 7.3959 7.3959 7.5198 7.5198 7.9176 7.9176 7.9511 7.9511 12.5226 12.5226 13.8799 13.8799 14.0423 14.0423 14.8254 14.8254 15.2873 15.2873 k = 0.0000 0.0000 0.3660 ( 2995 PWs) bands (ev): -29.7922 -29.7922 -29.7506 -29.7506 -11.6515 -11.6515 -11.1410 -11.1410 -11.0207 -11.0207 -10.7987 -10.7987 -10.7546 -10.7546 -10.6294 -10.6294 -10.0022 -10.0022 -8.2060 -8.2060 -7.5083 -7.5083 -7.0473 -7.0473 0.9073 0.9073 2.7655 2.7655 3.9051 3.9051 5.2112 5.2112 6.0976 6.0976 6.3580 6.3580 6.7754 6.7754 7.3279 7.3279 7.3429 7.3429 7.5336 7.5336 7.9226 7.9226 7.9452 7.9452 12.6138 12.6138 13.8928 13.8928 14.0905 14.0905 14.8780 14.8780 15.3299 15.3299 k = 0.0000 0.0000 0.3864 ( 2991 PWs) bands (ev): -29.7913 -29.7913 -29.7504 -29.7504 -11.6374 -11.6374 -11.1516 -11.1516 -11.0264 -11.0264 -10.8055 -10.8055 -10.7610 -10.7610 -10.6295 -10.6295 -9.9757 -9.9757 -8.2293 -8.2293 -7.5004 -7.5004 -7.0537 -7.0537 0.8224 0.8224 2.8530 2.8530 3.9152 3.9152 5.2626 5.2626 6.0639 6.0639 6.2957 6.2957 6.7413 6.7413 7.2908 7.2908 7.3450 7.3450 7.5460 7.5460 7.9207 7.9207 7.9455 7.9455 12.7073 12.7073 13.9077 13.9077 14.1376 14.1376 14.9325 14.9325 15.3742 15.3742 k = 0.0000 0.0000 0.4067 ( 2995 PWs) bands (ev): -29.7903 -29.7903 -29.7503 -29.7503 -11.6230 -11.6230 -11.1620 -11.1620 -11.0317 -11.0317 -10.8124 -10.8124 -10.7673 -10.7673 -10.6299 -10.6299 -9.9491 -9.9491 -8.2531 -8.2531 -7.4928 -7.4928 -7.0610 -7.0610 0.7370 0.7370 2.9439 2.9439 3.9262 3.9262 5.3082 5.3082 6.0306 6.0306 6.2378 6.2378 6.7076 6.7076 7.2398 7.2398 7.3630 7.3630 7.5570 7.5570 7.9133 7.9133 7.9508 7.9508 12.8031 12.8031 13.9248 13.9248 14.1833 14.1833 14.9887 14.9887 15.4201 15.4201 k = 0.0000 0.0000 0.4270 ( 3003 PWs) bands (ev): -29.7894 -29.7894 -29.7501 -29.7501 -11.6083 -11.6083 -11.1722 -11.1722 -11.0366 -11.0366 -10.8193 -10.8193 -10.7734 -10.7734 -10.6304 -10.6304 -9.9225 -9.9225 -8.2773 -8.2773 -7.4855 -7.4855 -7.0691 -7.0691 0.6515 0.6515 3.0381 3.0381 3.9382 3.9382 5.3460 5.3460 5.9977 5.9977 6.1867 6.1867 6.6746 6.6746 7.1902 7.1902 7.3817 7.3817 7.5667 7.5667 7.9039 7.9039 7.9577 7.9577 12.9008 12.9008 13.9439 13.9439 14.2276 14.2276 15.0464 15.0464 15.4674 15.4674 k = 0.0000 0.0000 0.4474 ( 3015 PWs) bands (ev): -29.7884 -29.7884 -29.7500 -29.7500 -11.5933 -11.5933 -11.1822 -11.1822 -11.0410 -11.0410 -10.8262 -10.8262 -10.7793 -10.7793 -10.6311 -10.6311 -9.8958 -9.8958 -8.3017 -8.3017 -7.4786 -7.4786 -7.0781 -7.0781 0.5661 0.5661 3.1354 3.1354 3.9512 3.9512 5.3736 5.3736 5.9654 5.9654 6.1449 6.1449 6.6422 6.6422 7.1422 7.1422 7.4011 7.4011 7.5750 7.5750 7.8938 7.8938 7.9649 7.9649 13.0004 13.0004 13.9650 13.9650 14.2702 14.2702 15.1056 15.1056 15.5157 15.5157 k = 0.0000 0.0000 0.4677 ( 3019 PWs) bands (ev): -29.7873 -29.7873 -29.7499 -29.7499 -11.5782 -11.5782 -11.1916 -11.1916 -11.0449 -11.0449 -10.8332 -10.8332 -10.7851 -10.7851 -10.6321 -10.6321 -9.8690 -9.8690 -8.3264 -8.3264 -7.4722 -7.4722 -7.0881 -7.0881 0.4808 0.4808 3.2355 3.2355 3.9654 3.9654 5.3883 5.3883 5.9337 5.9337 6.1151 6.1151 6.6105 6.6105 7.0960 7.0960 7.4214 7.4214 7.5820 7.5820 7.8835 7.8835 7.9722 7.9722 13.1015 13.1015 13.9879 13.9879 14.3112 14.3112 15.1660 15.1660 15.5647 15.5647 k = 0.0000 0.0000 0.4880 ( 3023 PWs) bands (ev): -29.7863 -29.7863 -29.7497 -29.7497 -11.5631 -11.5631 -11.2006 -11.2006 -11.0482 -11.0482 -10.8402 -10.8402 -10.7906 -10.7906 -10.6332 -10.6332 -9.8420 -9.8420 -8.3511 -8.3511 -7.4664 -7.4664 -7.0991 -7.0991 0.3960 0.3960 3.3384 3.3384 3.9807 3.9807 5.3882 5.3882 5.9026 5.9026 6.0995 6.0995 6.5795 6.5795 7.0517 7.0517 7.4423 7.4423 7.5876 7.5876 7.8729 7.8729 7.9796 7.9796 13.2041 13.2041 14.0126 14.0126 14.3504 14.3504 15.2274 15.2274 15.6139 15.6139 k = 0.0000 0.0000 0.5084 ( 3023 PWs) bands (ev): -29.7852 -29.7852 -29.7496 -29.7496 -11.5479 -11.5479 -11.2090 -11.2090 -11.0510 -11.0510 -10.8473 -10.8473 -10.7959 -10.7959 -10.6345 -10.6345 -9.8150 -9.8150 -8.3759 -8.3759 -7.4611 -7.4611 -7.1111 -7.1111 0.3116 0.3116 3.4437 3.4437 3.9972 3.9972 5.3729 5.3729 5.8722 5.8722 6.0986 6.0986 6.5493 6.5493 7.0096 7.0096 7.4639 7.4639 7.5920 7.5920 7.8623 7.8623 7.9870 7.9870 13.3078 13.3078 14.0390 14.0390 14.3877 14.3877 15.2897 15.2897 15.6625 15.6625 k = 0.0000 0.0000 0.5287 ( 3023 PWs) bands (ev): -29.7842 -29.7842 -29.7494 -29.7494 -11.5329 -11.5329 -11.2168 -11.2168 -11.0532 -11.0532 -10.8545 -10.8545 -10.8010 -10.8010 -10.6360 -10.6360 -9.7879 -9.7879 -8.4007 -8.4007 -7.4565 -7.4565 -7.1242 -7.1242 0.2278 0.2278 3.5513 3.5513 4.0150 4.0150 5.3438 5.3438 5.8425 5.8425 6.1110 6.1110 6.5198 6.5198 6.9697 6.9697 7.4862 7.4862 7.5951 7.5951 7.8516 7.8516 7.9946 7.9946 13.4123 13.4123 14.0670 14.0670 14.4232 14.4232 15.3527 15.3527 15.7094 15.7094 k = 0.0000 0.0000 0.5490 ( 3023 PWs) bands (ev): -29.7831 -29.7831 -29.7493 -29.7493 -11.5181 -11.5181 -11.2240 -11.2240 -11.0548 -11.0548 -10.8617 -10.8617 -10.8059 -10.8059 -10.6376 -10.6376 -9.7607 -9.7607 -8.4253 -8.4253 -7.4525 -7.4525 -7.1384 -7.1384 0.1449 0.1449 3.6609 3.6609 4.0341 4.0341 5.3037 5.3037 5.8135 5.8135 6.1339 6.1339 6.4910 6.4910 6.9322 6.9322 7.5091 7.5091 7.5970 7.5970 7.8409 7.8409 8.0024 8.0024 13.5173 13.5173 14.0963 14.0963 14.4568 14.4568 15.4161 15.4161 15.7525 15.7525 k = 0.0000 0.0000 0.5694 ( 3019 PWs) bands (ev): -29.7820 -29.7820 -29.7491 -29.7491 -11.5036 -11.5036 -11.2304 -11.2304 -11.0559 -11.0559 -10.8688 -10.8688 -10.8105 -10.8105 -10.6394 -10.6394 -9.7333 -9.7333 -8.4498 -8.4498 -7.4492 -7.4492 -7.1537 -7.1537 0.0628 0.0628 3.7723 3.7723 4.0546 4.0546 5.2555 5.2555 5.7853 5.7853 6.1646 6.1646 6.4629 6.4629 6.8974 6.8974 7.5325 7.5325 7.5979 7.5979 7.8302 7.8302 8.0105 8.0105 13.6221 13.6221 14.1269 14.1269 14.4886 14.4886 15.4798 15.4798 15.7887 15.7888 k = 0.0000 0.0000 0.5897 ( 3009 PWs) bands (ev): -29.7808 -29.7808 -29.7490 -29.7490 -11.4894 -11.4894 -11.2360 -11.2360 -11.0563 -11.0563 -10.8760 -10.8760 -10.8149 -10.8149 -10.6414 -10.6414 -9.7057 -9.7057 -8.4740 -8.4740 -7.4467 -7.4467 -7.1702 -7.1702 -0.0183 -0.0183 3.8852 3.8852 4.0766 4.0766 5.2018 5.2018 5.7579 5.7579 6.2004 6.2004 6.4354 6.4354 6.8652 6.8652 7.5564 7.5564 7.5977 7.5977 7.8196 7.8196 8.0189 8.0189 13.7260 13.7260 14.1586 14.1586 14.5191 14.5191 15.5435 15.5435 15.8147 15.8190 k = 0.0000 0.0000 0.6100 ( 3013 PWs) bands (ev): -29.7797 -29.7797 -29.7488 -29.7488 -11.4758 -11.4758 -11.2409 -11.2409 -11.0563 -11.0563 -10.8831 -10.8831 -10.8191 -10.8191 -10.6436 -10.6436 -9.6781 -9.6781 -8.4979 -8.4979 -7.4450 -7.4450 -7.1878 -7.1878 -0.0983 -0.0983 3.9986 3.9986 4.1008 4.1008 5.1447 5.1447 5.7313 5.7313 6.2392 6.2392 6.4084 6.4084 6.8359 6.8359 7.5804 7.5804 7.5969 7.5969 7.8092 7.8092 8.0278 8.0278 13.8280 13.8280 14.1912 14.1912 14.5487 14.5487 15.6069 15.6069 15.7921 15.7941 k = 0.0000 0.0000 0.6304 ( 3013 PWs) bands (ev): -29.7786 -29.7786 -29.7487 -29.7487 -11.4627 -11.4627 -11.2450 -11.2450 -11.0556 -11.0556 -10.8900 -10.8900 -10.8231 -10.8231 -10.6459 -10.6459 -9.6502 -9.6502 -8.5214 -8.5214 -7.4440 -7.4440 -7.2065 -7.2065 -0.1771 -0.1771 4.1035 4.1035 4.1361 4.1361 5.0855 5.0855 5.7055 5.7055 6.2791 6.2791 6.3823 6.3823 6.8098 6.8098 7.5932 7.5932 7.6066 7.6066 7.7991 7.7991 8.0371 8.0371 13.9263 13.9263 14.2246 14.2246 14.5787 14.5787 15.6699 15.6699 15.7592 15.7593 k = 0.0000 0.0000 0.6507 ( 3005 PWs) bands (ev): -29.7775 -29.7775 -29.7485 -29.7485 -11.4503 -11.4503 -11.2482 -11.2482 -11.0545 -11.0545 -10.8967 -10.8967 -10.8269 -10.8269 -10.6483 -10.6483 -9.6222 -9.6222 -8.5446 -8.5446 -7.4437 -7.4437 -7.2263 -7.2263 -0.2546 -0.2546 4.1454 4.1454 4.2368 4.2368 5.0255 5.0255 5.6806 5.6806 6.3175 6.3175 6.3582 6.3582 6.7871 6.7871 7.5908 7.5908 7.6307 7.6307 7.7896 7.7896 8.0471 8.0471 14.0187 14.0187 14.2586 14.2586 14.6111 14.6111 15.7270 15.7270 15.7344 15.7344 k = 0.0000 0.0000 0.6711 ( 3005 PWs) bands (ev): -29.7764 -29.7764 -29.7484 -29.7484 -11.4387 -11.4387 -11.2506 -11.2506 -11.0529 -11.0529 -10.9031 -10.9031 -10.8304 -10.8304 -10.6509 -10.6509 -9.5940 -9.5940 -8.5672 -8.5672 -7.4443 -7.4443 -7.2473 -7.2473 -0.3307 -0.3307 4.1740 4.1740 4.3528 4.3528 4.9653 4.9653 5.6565 5.6565 6.3249 6.3249 6.3645 6.3645 6.7682 6.7682 7.5872 7.5872 7.6547 7.6547 7.7811 7.7811 8.0577 8.0577 14.1018 14.1018 14.2930 14.2930 14.6488 14.6488 15.7024 15.7024 15.7947 15.8061 k = 0.0000 0.0000 0.6914 ( 2997 PWs) bands (ev): -29.7753 -29.7753 -29.7482 -29.7482 -11.4279 -11.4279 -11.2520 -11.2520 -11.0510 -11.0510 -10.9091 -10.9091 -10.8336 -10.8336 -10.6536 -10.6536 -9.5655 -9.5655 -8.5893 -8.5893 -7.4455 -7.4455 -7.2694 -7.2694 -0.4053 -0.4053 4.2031 4.2031 4.4702 4.4702 4.9056 4.9056 5.6333 5.6333 6.3012 6.3012 6.3998 6.3998 6.7538 6.7538 7.5828 7.5828 7.6769 7.6769 7.7750 7.7750 8.0691 8.0691 14.1715 14.1715 14.3277 14.3277 14.6955 14.6955 15.6800 15.6800 15.7933 15.7937 k = 0.0000 0.0000 0.7117 ( 2993 PWs) bands (ev): -29.7742 -29.7742 -29.7481 -29.7481 -11.4180 -11.4180 -11.2527 -11.2527 -11.0488 -11.0488 -10.9145 -10.9145 -10.8367 -10.8367 -10.6565 -10.6565 -9.5369 -9.5369 -8.6109 -8.6109 -7.4475 -7.4475 -7.2925 -7.2925 -0.4783 -0.4783 4.2333 4.2333 4.5880 4.5880 4.8469 4.8469 5.6110 5.6110 6.2758 6.2758 6.4337 6.4337 6.7446 6.7446 7.5778 7.5778 7.6944 7.6944 7.7740 7.7740 8.0811 8.0811 14.2244 14.2244 14.3624 14.3624 14.7547 14.7547 15.6619 15.6619 15.7734 15.7734 k = 0.0000 0.0000 0.7321 ( 2985 PWs) bands (ev): -29.7732 -29.7732 -29.7479 -29.7479 -11.4089 -11.4089 -11.2525 -11.2525 -11.0465 -11.0465 -10.9193 -10.9193 -10.8395 -10.8395 -10.6595 -10.6595 -9.5080 -9.5080 -8.6319 -8.6319 -7.4502 -7.4502 -7.3167 -7.3167 -0.5497 -0.5497 4.2649 4.2649 4.7057 4.7057 4.7896 4.7896 5.5895 5.5895 6.2499 6.2499 6.4632 6.4632 6.7416 6.7416 7.5723 7.5723 7.7030 7.7030 7.7823 7.7823 8.0940 8.0940 14.2590 14.2590 14.3970 14.3970 14.8277 14.8277 15.6483 15.6483 15.7508 15.7508 k = 0.0000 0.0000 0.7524 ( 2985 PWs) bands (ev): -29.7721 -29.7721 -29.7478 -29.7478 -11.4007 -11.4007 -11.2516 -11.2516 -11.0443 -11.0443 -10.9234 -10.9234 -10.8421 -10.8421 -10.6627 -10.6627 -9.4790 -9.4790 -8.6522 -8.6522 -7.4536 -7.4536 -7.3418 -7.3418 -0.6193 -0.6193 4.2977 4.2977 4.7332 4.7332 4.8237 4.8237 5.5689 5.5689 6.2237 6.2237 6.4871 6.4871 6.7457 6.7457 7.5664 7.5664 7.7022 7.7022 7.8004 7.8004 8.1078 8.1078 14.2769 14.2769 14.4314 14.4314 14.9132 14.9132 15.6388 15.6388 15.7256 15.7256 k = 0.0000 0.0000 0.7727 ( 2981 PWs) bands (ev): -29.7711 -29.7711 -29.7477 -29.7477 -11.3935 -11.3935 -11.2500 -11.2500 -11.0423 -11.0423 -10.9264 -10.9264 -10.8444 -10.8444 -10.6660 -10.6660 -9.4497 -9.4497 -8.6718 -8.6718 -7.4576 -7.4576 -7.3678 -7.3678 -0.6870 -0.6870 4.3319 4.3319 4.6791 4.6791 4.9403 4.9403 5.5491 5.5491 6.1972 6.1972 6.5047 6.5047 6.7572 6.7572 7.5601 7.5601 7.6956 7.6956 7.8244 7.8244 8.1223 8.1223 14.2811 14.2811 14.4654 14.4654 15.0081 15.0081 15.6334 15.6334 15.6980 15.6980 k = 0.0000 0.0000 0.7931 ( 2977 PWs) bands (ev): -29.7701 -29.7701 -29.7475 -29.7475 -11.3870 -11.3870 -11.2478 -11.2478 -11.0407 -11.0407 -10.9284 -10.9284 -10.8465 -10.8465 -10.6694 -10.6694 -9.4203 -9.4203 -8.6908 -8.6908 -7.4621 -7.4621 -7.3946 -7.3946 -0.7528 -0.7528 4.3673 4.3673 4.6268 4.6268 5.0562 5.0562 5.5303 5.5303 6.1701 6.1701 6.5164 6.5164 6.7755 6.7755 7.5535 7.5535 7.6863 7.6863 7.8514 7.8514 8.1378 8.1378 14.2748 14.2748 14.4989 14.4989 15.1095 15.1095 15.6315 15.6315 15.6683 15.6683 k = 0.0000 0.0000 0.8134 ( 2979 PWs) bands (ev): -29.7691 -29.7691 -29.7474 -29.7474 -11.3812 -11.3812 -11.2452 -11.2452 -11.0396 -11.0396 -10.9293 -10.9293 -10.8483 -10.8483 -10.6730 -10.6730 -9.3907 -9.3907 -8.7090 -8.7090 -7.4671 -7.4671 -7.4222 -7.4222 -0.8165 -0.8165 4.4040 4.4040 4.5765 4.5765 5.1707 5.1707 5.5123 5.5123 6.1425 6.1425 6.5234 6.5234 6.7990 6.7990 7.5467 7.5467 7.6755 7.6755 7.8801 7.8801 8.1540 8.1540 14.2608 14.2608 14.5316 14.5316 15.2148 15.2148 15.6326 15.6326 15.6366 15.6366 k = 0.0000 0.0000 0.8337 ( 2975 PWs) bands (ev): -29.7681 -29.7681 -29.7473 -29.7473 -11.3762 -11.3762 -11.2421 -11.2421 -11.0392 -11.0392 -10.9289 -10.9289 -10.8498 -10.8498 -10.6767 -10.6767 -9.3609 -9.3609 -8.7265 -8.7265 -7.4727 -7.4727 -7.4505 -7.4505 -0.8781 -0.8781 4.4419 4.4419 4.5283 4.5283 5.2837 5.2837 5.4952 5.4952 6.1143 6.1143 6.5274 6.5274 6.8260 6.8260 7.5398 7.5398 7.6637 7.6637 7.9098 7.9098 8.1710 8.1710 14.2412 14.2412 14.5636 14.5636 15.3217 15.3217 15.6032 15.6032 15.6363 15.6363 k = 0.0000 0.0000 0.8541 ( 2977 PWs) bands (ev): -29.7672 -29.7672 -29.7472 -29.7472 -11.3717 -11.3717 -11.2388 -11.2388 -11.0394 -11.0394 -10.9273 -10.9273 -10.8510 -10.8510 -10.6806 -10.6806 -9.3311 -9.3311 -8.7432 -8.7432 -7.4803 -7.4803 -7.4776 -7.4776 -0.9374 -0.9374 4.4795 4.4795 4.4837 4.4837 5.3945 5.3945 5.4792 5.4792 6.0853 6.0853 6.5295 6.5295 6.8551 6.8551 7.5328 7.5328 7.6512 7.6512 7.9401 7.9401 8.1888 8.1888 14.2176 14.2176 14.5947 14.5947 15.4277 15.4277 15.5685 15.5685 15.6424 15.6424 k = 0.0000 0.0000 0.8744 ( 2973 PWs) bands (ev): -29.7663 -29.7663 -29.7471 -29.7471 -11.3677 -11.3677 -11.2352 -11.2352 -11.0403 -11.0403 -10.9246 -10.9246 -10.8520 -10.8520 -10.6846 -10.6846 -9.3012 -9.3012 -8.7592 -8.7592 -7.5089 -7.5089 -7.4846 -7.4846 -0.9945 -0.9945 4.4383 4.4383 4.5214 4.5214 5.4626 5.4626 5.5046 5.5046 6.0555 6.0555 6.5308 6.5308 6.8851 6.8851 7.5257 7.5257 7.6380 7.6380 7.9709 7.9709 8.2072 8.2072 14.1912 14.1912 14.6247 14.6247 15.5178 15.5178 15.5447 15.5447 15.6523 15.6523 k = 0.0000 0.0000 0.8947 ( 2981 PWs) bands (ev): -29.7654 -29.7654 -29.7470 -29.7470 -11.3642 -11.3642 -11.2316 -11.2316 -11.0416 -11.0416 -10.9209 -10.9209 -10.8526 -10.8526 -10.6887 -10.6887 -9.2714 -9.2714 -8.7743 -8.7743 -7.5385 -7.5385 -7.4911 -7.4911 -1.0491 -1.0491 4.3969 4.3969 4.5626 4.5626 5.4487 5.4487 5.6103 5.6103 6.0248 6.0248 6.5317 6.5317 6.9152 6.9152 7.5188 7.5188 7.6243 7.6243 8.0020 8.0020 8.2262 8.2262 14.1632 14.1632 14.6536 14.6536 15.4912 15.4912 15.6171 15.6171 15.6792 15.6792 k = 0.0000 0.0000 0.9151 ( 2981 PWs) bands (ev): -29.7646 -29.7646 -29.7469 -29.7469 -11.3610 -11.3610 -11.2280 -11.2280 -11.0434 -11.0434 -10.9166 -10.9166 -10.8530 -10.8530 -10.6929 -10.6929 -9.2416 -9.2416 -8.7886 -8.7886 -7.5684 -7.5684 -7.4977 -7.4977 -1.1012 -1.1012 4.3577 4.3577 4.6049 4.6049 5.4351 5.4351 5.7136 5.7136 5.9932 5.9932 6.5328 6.5328 6.9448 6.9448 7.5119 7.5119 7.6101 7.6101 8.0332 8.0332 8.2456 8.2456 14.1342 14.1342 14.6812 14.6812 15.4530 15.4530 15.6464 15.6464 15.7558 15.7558 k = 0.0000 0.0000 0.9354 ( 2973 PWs) bands (ev): -29.7638 -29.7638 -29.7468 -29.7468 -11.3581 -11.3581 -11.2244 -11.2244 -11.0454 -11.0454 -10.9116 -10.9116 -10.8529 -10.8529 -10.6972 -10.6972 -9.2121 -9.2121 -8.8021 -8.8021 -7.5984 -7.5984 -7.5045 -7.5045 -1.1507 -1.1507 4.3209 4.3209 4.6481 4.6481 5.4223 5.4223 5.8135 5.8135 5.9608 5.9608 6.5341 6.5341 6.9736 6.9736 7.5052 7.5052 7.5953 7.5953 8.0644 8.0644 8.2652 8.2652 14.1050 14.1050 14.7076 14.7076 15.4138 15.4138 15.6570 15.6570 15.8452 15.8452 k = 0.0000 0.0000 0.9557 ( 2983 PWs) bands (ev): -29.7631 -29.7631 -29.7467 -29.7467 -11.3555 -11.3555 -11.2209 -11.2209 -11.0476 -11.0476 -10.9064 -10.9064 -10.8525 -10.8525 -10.7017 -10.7017 -9.1829 -9.1829 -8.8148 -8.8148 -7.6283 -7.6283 -7.5112 -7.5112 -1.1975 -1.1975 4.2865 4.2865 4.6921 4.6921 5.4104 5.4104 5.9060 5.9060 5.9313 5.9313 6.5357 6.5357 7.0013 7.0013 7.4987 7.4987 7.5800 7.5800 8.0953 8.0953 8.2850 8.2850 14.0759 14.0759 14.7325 14.7325 15.3743 15.3743 15.6641 15.6641 15.9294 15.9294 k = 0.0000 0.0000 0.9761 ( 2979 PWs) bands (ev): -29.7624 -29.7624 -29.7466 -29.7466 -11.3532 -11.3532 -11.2176 -11.2176 -11.0498 -11.0498 -10.9011 -10.9011 -10.8517 -10.8517 -10.7063 -10.7063 -9.1541 -9.1541 -8.8265 -8.8265 -7.6579 -7.6579 -7.5179 -7.5179 -1.2415 -1.2415 4.2544 4.2544 4.7369 4.7369 5.3993 5.3993 5.8907 5.8907 6.0048 6.0048 6.5377 6.5377 7.0276 7.0276 7.4925 7.4925 7.5641 7.5641 8.1258 8.1258 8.3048 8.3048 14.0477 14.0477 14.7559 14.7559 15.3348 15.3348 15.6696 15.6696 16.0045 16.0045 k = 0.0000 0.0000 0.9964 ( 2974 PWs) bands (ev): -29.7617 -29.7617 -29.7466 -29.7466 -11.3510 -11.3510 -11.2144 -11.2144 -11.0519 -11.0519 -10.8959 -10.8959 -10.8504 -10.8504 -10.7110 -10.7110 -9.1259 -9.1259 -8.8374 -8.8374 -7.6870 -7.6870 -7.5244 -7.5244 -1.2827 -1.2827 4.2248 4.2248 4.7823 4.7823 5.3890 5.3890 5.8552 5.8552 6.0931 6.0931 6.5401 6.5401 7.0525 7.0525 7.4866 7.4866 7.5478 7.5478 8.1558 8.1558 8.3242 8.3242 14.0205 14.0205 14.7778 14.7778 15.2960 15.2960 15.6737 15.6737 16.0670 16.0677 k = 0.0000 0.0000 1.0167 ( 2982 PWs) bands (ev): -29.7611 -29.7611 -29.7465 -29.7465 -11.3491 -11.3491 -11.2115 -11.2115 -11.0539 -11.0539 -10.8910 -10.8910 -10.8485 -10.8485 -10.7158 -10.7158 -9.0984 -9.0984 -8.8475 -8.8475 -7.7155 -7.7155 -7.5308 -7.5308 -1.3209 -1.3209 4.1975 4.1975 4.8284 4.8284 5.3796 5.3796 5.8184 5.8184 6.1774 6.1774 6.5427 6.5427 7.0757 7.0757 7.4809 7.4809 7.5311 7.5311 8.1848 8.1848 8.3433 8.3433 13.9947 13.9947 14.7982 14.7982 15.2580 15.2580 15.6766 15.6766 16.0628 16.0629 k = 0.0000 0.0000 1.0371 ( 2982 PWs) bands (ev): -29.7606 -29.7606 -29.7464 -29.7464 -11.3474 -11.3474 -11.2088 -11.2088 -11.0558 -11.0558 -10.8866 -10.8866 -10.8460 -10.8460 -10.7207 -10.7207 -9.0720 -9.0720 -8.8566 -8.8566 -7.7430 -7.7430 -7.5368 -7.5368 -1.3561 -1.3561 4.1727 4.1727 4.8750 4.8750 5.3710 5.3710 5.7805 5.7805 6.2569 6.2569 6.5455 6.5455 7.0972 7.0972 7.4757 7.4757 7.5139 7.5139 8.2127 8.2127 8.3616 8.3616 13.9705 13.9705 14.8169 14.8169 15.2215 15.2215 15.6784 15.6784 16.0330 16.0330 k = 0.0000 0.0000 1.0574 ( 2982 PWs) bands (ev): -29.7601 -29.7601 -29.7464 -29.7464 -11.3460 -11.3460 -11.2063 -11.2063 -11.0575 -11.0575 -10.8827 -10.8827 -10.8428 -10.8428 -10.7256 -10.7256 -9.0468 -9.0468 -8.8649 -8.8649 -7.7694 -7.7694 -7.5425 -7.5425 -1.3882 -1.3882 4.1502 4.1502 4.9219 4.9219 5.3632 5.3632 5.7415 5.7415 6.3313 6.3313 6.5484 6.5484 7.1169 7.1169 7.4709 7.4709 7.4966 7.4966 8.2392 8.2392 8.3791 8.3791 13.9482 13.9482 14.8339 14.8339 15.1868 15.1868 15.6790 15.6790 16.0029 16.0029 k = 0.0000 0.0000 1.0777 ( 2980 PWs) bands (ev): -29.7596 -29.7596 -29.7463 -29.7463 -11.3446 -11.3446 -11.2041 -11.2041 -11.0590 -11.0590 -10.8795 -10.8795 -10.8391 -10.8391 -10.7305 -10.7305 -9.0231 -9.0231 -8.8722 -8.8722 -7.7942 -7.7942 -7.5478 -7.5478 -1.4171 -1.4171 4.1301 4.1301 4.9692 4.9692 5.3563 5.3563 5.7014 5.7014 6.4002 6.4002 6.5513 6.5513 7.1347 7.1347 7.4664 7.4664 7.4792 7.4792 8.2641 8.2641 8.3954 8.3954 13.9279 13.9279 14.8492 14.8492 15.1545 15.1545 15.6788 15.6788 15.9739 15.9739 k = 0.0000 0.0000 1.0981 ( 2984 PWs) bands (ev): -29.7592 -29.7592 -29.7463 -29.7463 -11.3435 -11.3435 -11.2021 -11.2021 -11.0603 -11.0603 -10.8769 -10.8769 -10.8348 -10.8348 -10.7356 -10.7356 -9.0012 -9.0012 -8.8786 -8.8786 -7.8173 -7.8173 -7.5527 -7.5527 -1.4428 -1.4428 4.1124 4.1124 5.0168 5.0168 5.3502 5.3502 5.6604 5.6604 6.4632 6.4632 6.5541 6.5541 7.1505 7.1505 7.4610 7.4610 7.4634 7.4634 8.2869 8.2869 8.4104 8.4104 13.9097 13.9097 14.8628 14.8628 15.1248 15.1248 15.6778 15.6778 15.9466 15.9466 k = 0.0000 0.0000 1.1184 ( 2988 PWs) bands (ev): -29.7588 -29.7588 -29.7462 -29.7462 -11.3425 -11.3425 -11.2004 -11.2004 -11.0615 -11.0615 -10.8749 -10.8749 -10.8303 -10.8303 -10.7405 -10.7405 -8.9814 -8.9814 -8.8840 -8.8840 -7.8383 -7.8383 -7.5570 -7.5570 -1.4652 -1.4652 4.0971 4.0971 5.0644 5.0644 5.3449 5.3449 5.6185 5.6185 6.5198 6.5198 6.5568 6.5568 7.1644 7.1644 7.4449 7.4449 7.4592 7.4592 8.3075 8.3075 8.4239 8.4239 13.8937 13.8937 14.8746 14.8746 15.0982 15.0982 15.6764 15.6764 15.9217 15.9217 k = 0.0000 0.0000 1.1388 ( 2984 PWs) bands (ev): -29.7585 -29.7585 -29.7462 -29.7462 -11.3417 -11.3417 -11.1990 -11.1990 -11.0624 -11.0624 -10.8733 -10.8733 -10.8256 -10.8256 -10.7452 -10.7452 -8.9641 -8.9641 -8.8884 -8.8884 -7.8568 -7.8568 -7.5607 -7.5607 -1.4842 -1.4842 4.0841 4.0841 5.1121 5.1121 5.3404 5.3404 5.5757 5.5757 6.5586 6.5586 6.5702 6.5702 7.1761 7.1761 7.4291 7.4291 7.4562 7.4562 8.3255 8.3255 8.4357 8.4357 13.8801 13.8801 14.8847 14.8847 15.0750 15.0750 15.6746 15.6746 15.8996 15.8996 k = 0.0000 0.0000 1.1591 ( 2980 PWs) bands (ev): -29.7583 -29.7583 -29.7462 -29.7462 -11.3411 -11.3411 -11.1977 -11.1977 -11.0631 -11.0631 -10.8720 -10.8720 -10.8211 -10.8211 -10.7496 -10.7496 -8.9497 -8.9497 -8.8917 -8.8917 -7.8726 -7.8726 -7.5638 -7.5638 -1.4999 -1.4999 4.0735 4.0735 5.1597 5.1597 5.3367 5.3367 5.5322 5.5322 6.5610 6.5610 6.6120 6.6120 7.1858 7.1858 7.4148 7.4148 7.4538 7.4538 8.3406 8.3406 8.4456 8.4456 13.8689 13.8689 14.8929 14.8929 15.0556 15.0556 15.6728 15.6728 15.8808 15.8808 k = 0.0000 0.0000 1.1794 ( 2972 PWs) bands (ev): -29.7581 -29.7581 -29.7461 -29.7461 -11.3406 -11.3406 -11.1968 -11.1968 -11.0637 -11.0637 -10.8711 -10.8711 -10.8169 -10.8169 -10.7536 -10.7536 -8.9386 -8.9386 -8.8938 -8.8938 -7.8852 -7.8852 -7.5663 -7.5663 -1.5121 -1.5121 4.0653 4.0653 5.2071 5.2071 5.3339 5.3339 5.4880 5.4880 6.5627 6.5627 6.6459 6.6459 7.1934 7.1934 7.4026 7.4026 7.4518 7.4518 8.3526 8.3526 8.4535 8.4535 13.8602 13.8602 14.8993 14.8993 15.0402 15.0402 15.6712 15.6712 15.8659 15.8659 k = 0.0000 0.0000 1.1998 ( 2974 PWs) bands (ev): -29.7579 -29.7579 -29.7461 -29.7461 -11.3402 -11.3402 -11.1961 -11.1961 -11.0641 -11.0641 -10.8705 -10.8705 -10.8135 -10.8135 -10.7568 -10.7568 -8.9309 -8.9309 -8.8948 -8.8948 -7.8944 -7.8944 -7.5681 -7.5681 -1.5208 -1.5208 4.0594 4.0594 5.2540 5.2540 5.3319 5.3319 5.4434 5.4434 6.5640 6.5640 6.6709 6.6709 7.1988 7.1988 7.3932 7.3932 7.4505 7.4505 8.3614 8.3614 8.4592 8.4592 13.8538 13.8538 14.9039 14.9039 15.0291 15.0291 15.6699 15.6699 15.8549 15.8549 k = 0.0000 0.0000 1.2201 ( 2978 PWs) bands (ev): -29.7579 -29.7579 -29.7461 -29.7461 -11.3400 -11.3400 -11.1958 -11.1958 -11.0643 -11.0643 -10.8702 -10.8702 -10.8113 -10.8113 -10.7590 -10.7590 -8.9266 -8.9266 -8.8950 -8.8950 -7.9001 -7.9001 -7.5691 -7.5691 -1.5261 -1.5261 4.0559 4.0559 5.2995 5.2995 5.3307 5.3307 5.3992 5.3992 6.5647 6.5647 6.6862 6.6862 7.2020 7.2020 7.3872 7.3872 7.4496 7.4496 8.3667 8.3667 8.4626 8.4626 13.8501 13.8501 14.9067 14.9067 15.0223 15.0223 15.6691 15.6691 15.8482 15.8482 k = 0.0000 0.0000 1.2404 ( 2974 PWs) bands (ev): -29.7578 -29.7578 -29.7461 -29.7461 -11.3400 -11.3400 -11.1956 -11.1956 -11.0644 -11.0644 -10.8701 -10.8701 -10.8105 -10.8105 -10.7597 -10.7597 -8.9252 -8.9252 -8.8950 -8.8950 -7.9020 -7.9020 -7.5695 -7.5695 -1.5278 -1.5278 4.0547 4.0547 5.3297 5.3297 5.3325 5.3325 5.3673 5.3673 6.5650 6.5650 6.6913 6.6913 7.2031 7.2031 7.3852 7.3852 7.4494 7.4494 8.3685 8.3685 8.4638 8.4638 13.8489 13.8489 14.9076 14.9076 15.0201 15.0201 15.6688 15.6688 15.8460 15.8460 k = 0.0000 0.0000 1.2404 ( 2974 PWs) bands (ev): -29.7578 -29.7578 -29.7461 -29.7461 -11.3400 -11.3400 -11.1956 -11.1956 -11.0644 -11.0644 -10.8701 -10.8701 -10.8105 -10.8105 -10.7597 -10.7597 -8.9252 -8.9252 -8.8950 -8.8950 -7.9020 -7.9020 -7.5695 -7.5695 -1.5278 -1.5278 4.0547 4.0547 5.3297 5.3297 5.3325 5.3325 5.3673 5.3673 6.5650 6.5650 6.6913 6.6913 7.2031 7.2031 7.3852 7.3852 7.4494 7.4494 8.3685 8.3685 8.4638 8.4638 13.8489 13.8489 14.9076 14.9076 15.0201 15.0201 15.6688 15.6688 15.8460 15.8460 k =-0.0081 0.0184 1.2404 ( 2970 PWs) bands (ev): -29.7578 -29.7578 -29.7461 -29.7461 -11.3401 -11.3401 -11.1962 -11.1962 -11.0645 -11.0645 -10.8696 -10.8696 -10.8107 -10.8107 -10.7593 -10.7593 -8.9251 -8.9251 -8.8958 -8.8958 -7.9008 -7.9008 -7.5692 -7.5692 -1.5259 -1.5259 4.0558 4.0558 5.3054 5.3054 5.3548 5.3548 5.3681 5.3681 6.5590 6.5590 6.6945 6.6945 7.2002 7.2002 7.3866 7.3866 7.4503 7.4503 8.3665 8.3665 8.4636 8.4636 13.8511 13.8511 14.8937 14.8937 15.0352 15.0352 15.6702 15.6702 15.8467 15.8467 k =-0.0162 0.0367 1.2404 ( 2962 PWs) bands (ev): -29.7578 -29.7578 -29.7462 -29.7462 -11.3405 -11.3405 -11.1980 -11.1980 -11.0648 -11.0648 -10.8681 -10.8681 -10.8114 -10.8114 -10.7582 -10.7582 -8.9252 -8.9252 -8.8979 -8.8979 -7.8973 -7.8973 -7.5684 -7.5684 -1.5202 -1.5202 4.0588 4.0588 5.2782 5.2782 5.3675 5.3675 5.3793 5.3793 6.5423 6.5423 6.7025 6.7025 7.1917 7.1917 7.3905 7.3905 7.4532 7.4532 8.3608 8.3608 8.4632 8.4632 13.8578 13.8578 14.8636 14.8636 15.0689 15.0689 15.6744 15.6744 15.8489 15.8489 k =-0.0242 0.0551 1.2404 ( 2974 PWs) bands (ev): -29.7579 -29.7579 -29.7464 -29.7464 -11.3414 -11.3414 -11.2009 -11.2009 -11.0654 -11.0654 -10.8658 -10.8658 -10.8125 -10.8125 -10.7564 -10.7564 -8.9261 -8.9261 -8.9006 -8.9006 -7.8916 -7.8916 -7.5671 -7.5671 -1.5106 -1.5106 4.0640 4.0640 5.2496 5.2496 5.3703 5.3703 5.3997 5.3997 6.5173 6.5173 6.7130 6.7130 7.1782 7.1782 7.3964 7.3964 7.4580 7.4580 8.3512 8.3512 8.4624 8.4624 13.8689 13.8689 14.8291 14.8291 15.1094 15.1094 15.6808 15.6808 15.8525 15.8525 k =-0.0323 0.0734 1.2404 ( 2976 PWs) bands (ev): -29.7579 -29.7579 -29.7465 -29.7465 -11.3427 -11.3427 -11.2047 -11.2047 -11.0661 -11.0661 -10.8627 -10.8627 -10.8138 -10.8138 -10.7540 -10.7540 -8.9294 -8.9294 -8.9023 -8.9023 -7.8836 -7.8836 -7.5653 -7.5653 -1.4973 -1.4973 4.0711 4.0711 5.2197 5.2197 5.3734 5.3734 5.4189 5.4189 6.4858 6.4858 6.7243 6.7243 7.1608 7.1608 7.4033 7.4033 7.4647 7.4647 8.3381 8.3381 8.4614 8.4614 13.8842 13.8842 14.7938 14.7938 15.1529 15.1529 15.6892 15.6892 15.8578 15.8578 k =-0.0404 0.0918 1.2404 ( 2984 PWs) bands (ev): -29.7579 -29.7579 -29.7468 -29.7468 -11.3447 -11.3447 -11.2093 -11.2093 -11.0670 -11.0670 -10.8590 -10.8590 -10.8153 -10.8153 -10.7512 -10.7512 -8.9363 -8.9363 -8.9015 -8.9015 -7.8737 -7.8737 -7.5630 -7.5630 -1.4803 -1.4803 4.0803 4.0803 5.1886 5.1886 5.3773 5.3773 5.4365 5.4365 6.4485 6.4485 6.7355 6.7355 7.1400 7.1400 7.4107 7.4107 7.4731 7.4731 8.3218 8.3218 8.4601 8.4601 13.9035 13.9035 14.7592 14.7592 15.1979 15.1979 15.6986 15.6986 15.8649 15.8649 k =-0.0485 0.1101 1.2404 ( 2988 PWs) bands (ev): -29.7580 -29.7580 -29.7470 -29.7470 -11.3473 -11.3473 -11.2142 -11.2142 -11.0679 -11.0679 -10.8549 -10.8549 -10.8167 -10.8167 -10.7480 -10.7480 -8.9466 -8.9466 -8.8985 -8.8985 -7.8617 -7.8617 -7.5602 -7.5602 -1.4596 -1.4596 4.0916 4.0916 5.1564 5.1564 5.3821 5.3821 5.4525 5.4525 6.4060 6.4060 6.7462 6.7462 7.1165 7.1165 7.4181 7.4181 7.4832 7.4832 8.3026 8.3026 8.4584 8.4584 13.9265 13.9265 14.7258 14.7258 15.2439 15.2439 15.7083 15.7083 15.8738 15.8738 k =-0.0485 0.1101 1.2404 ( 2988 PWs) bands (ev): -29.7580 -29.7580 -29.7470 -29.7470 -11.3473 -11.3473 -11.2142 -11.2142 -11.0679 -11.0679 -10.8549 -10.8549 -10.8167 -10.8167 -10.7480 -10.7480 -8.9466 -8.9466 -8.8985 -8.8985 -7.8617 -7.8617 -7.5602 -7.5602 -1.4596 -1.4596 4.0916 4.0916 5.1564 5.1564 5.3821 5.3821 5.4525 5.4525 6.4060 6.4060 6.7462 6.7462 7.1165 7.1165 7.4181 7.4181 7.4832 7.4832 8.3026 8.3026 8.4584 8.4584 13.9265 13.9265 14.7258 14.7258 15.2439 15.2439 15.7083 15.7083 15.8738 15.8738 k =-0.0543 0.1233 1.2261 ( 2990 PWs) bands (ev): -29.7580 -29.7580 -29.7473 -29.7473 -11.3499 -11.3499 -11.2179 -11.2179 -11.0684 -11.0684 -10.8519 -10.8519 -10.8178 -10.8178 -10.7453 -10.7453 -8.9557 -8.9557 -8.8958 -8.8958 -7.8512 -7.8512 -7.5578 -7.5578 -1.4416 -1.4416 4.1015 4.1015 5.1314 5.1314 5.3786 5.3786 5.4719 5.4719 6.3709 6.3709 6.7518 6.7518 7.0991 7.0991 7.4235 7.4235 7.4916 7.4916 8.2863 8.2863 8.4565 8.4565 13.9458 13.9458 14.7032 14.7032 15.2775 15.2775 15.7154 15.7154 15.8818 15.8818 k =-0.0601 0.1364 1.2117 ( 2990 PWs) bands (ev): -29.7581 -29.7581 -29.7475 -29.7475 -11.3531 -11.3531 -11.2216 -11.2216 -11.0688 -11.0688 -10.8491 -10.8491 -10.8189 -10.8189 -10.7421 -10.7421 -8.9659 -8.9659 -8.8937 -8.8937 -7.8381 -7.8381 -7.5549 -7.5549 -1.4200 -1.4200 4.1135 4.1135 5.1039 5.1039 5.3667 5.3667 5.5014 5.5014 6.3299 6.3299 6.7536 6.7536 7.0832 7.0832 7.4287 7.4287 7.5008 7.5008 8.2669 8.2669 8.4531 8.4531 13.9680 13.9680 14.6822 14.6822 15.3121 15.3121 15.7232 15.7232 15.8916 15.8916 k =-0.0659 0.1495 1.1973 ( 2990 PWs) bands (ev): -29.7582 -29.7582 -29.7478 -29.7478 -11.3571 -11.3571 -11.2253 -11.2253 -11.0690 -11.0690 -10.8470 -10.8470 -10.8198 -10.8198 -10.7385 -10.7385 -8.9770 -8.9770 -8.8922 -8.8922 -7.8227 -7.8227 -7.5514 -7.5514 -1.3948 -1.3948 4.1277 4.1277 5.0747 5.0747 5.3517 5.3517 5.5350 5.5350 6.2824 6.2824 6.7520 6.7520 7.0696 7.0696 7.4334 7.4334 7.5110 7.5110 8.2444 8.2444 8.4485 8.4485 13.9928 13.9928 14.6630 14.6630 15.3474 15.3474 15.7318 15.7318 15.9019 15.9019 k =-0.0717 0.1627 1.1830 ( 2982 PWs) bands (ev): -29.7584 -29.7584 -29.7481 -29.7481 -11.3620 -11.3620 -11.2288 -11.2288 -11.0689 -11.0689 -10.8456 -10.8456 -10.8199 -10.8199 -10.7346 -10.7346 -8.9889 -8.9889 -8.8913 -8.8913 -7.8051 -7.8051 -7.5473 -7.5473 -1.3660 -1.3660 4.1441 4.1441 5.0443 5.0443 5.3353 5.3353 5.5706 5.5706 6.2281 6.2281 6.7472 6.7472 7.0588 7.0588 7.4373 7.4373 7.5220 7.5220 8.2190 8.2190 8.4424 8.4424 14.0202 14.0202 14.6459 14.6459 15.3833 15.3833 15.7413 15.7413 15.9108 15.9108 k =-0.0774 0.1758 1.1686 ( 2976 PWs) bands (ev): -29.7586 -29.7586 -29.7484 -29.7484 -11.3679 -11.3679 -11.2321 -11.2321 -11.0686 -11.0686 -10.8453 -10.8453 -10.8191 -10.8191 -10.7305 -10.7305 -9.0015 -9.0015 -8.8910 -8.8910 -7.7856 -7.7856 -7.5428 -7.5428 -1.3336 -1.3336 4.1627 4.1627 5.0133 5.0133 5.3181 5.3181 5.6074 5.6074 6.1669 6.1669 6.7398 6.7398 7.0509 7.0509 7.4404 7.4404 7.5337 7.5337 8.1907 8.1907 8.4350 8.4350 14.0499 14.0499 14.6308 14.6308 15.4198 15.4198 15.7520 15.7520 15.9150 15.9150 k =-0.0832 0.1890 1.1543 ( 2973 PWs) bands (ev): -29.7587 -29.7587 -29.7488 -29.7488 -11.3747 -11.3747 -11.2351 -11.2351 -11.0681 -11.0681 -10.8460 -10.8460 -10.8174 -10.8174 -10.7263 -10.7263 -9.0146 -9.0146 -8.8911 -8.8911 -7.7643 -7.7643 -7.5379 -7.5379 -1.2976 -1.2976 4.1833 4.1833 4.9817 4.9817 5.3002 5.3002 5.6450 5.6450 6.0986 6.0986 6.7302 6.7302 7.0457 7.0457 7.4425 7.4425 7.5459 7.5459 8.1596 8.1596 8.4262 8.4262 14.0818 14.0818 14.6180 14.6180 15.4567 15.4567 15.7635 15.7635 15.9103 15.9103 k =-0.0890 0.2021 1.1399 ( 2969 PWs) bands (ev): -29.7590 -29.7590 -29.7492 -29.7492 -11.3825 -11.3825 -11.2377 -11.2377 -11.0672 -11.0672 -10.8475 -10.8475 -10.8148 -10.8148 -10.7220 -10.7220 -9.0281 -9.0281 -8.8916 -8.8916 -7.7416 -7.7416 -7.5325 -7.5325 -1.2580 -1.2580 4.2060 4.2060 4.9499 4.9499 5.2817 5.2817 5.6831 5.6831 6.0235 6.0235 6.7191 6.7191 7.0428 7.0428 7.4437 7.4437 7.5586 7.5586 8.1259 8.1259 8.4161 8.4161 14.1157 14.1157 14.6074 14.6074 15.4939 15.4939 15.7757 15.7757 15.8931 15.8931 k =-0.0948 0.2152 1.1255 ( 2968 PWs) bands (ev): -29.7592 -29.7592 -29.7496 -29.7496 -11.3912 -11.3912 -11.2401 -11.2401 -11.0661 -11.0661 -10.8494 -10.8494 -10.8118 -10.8118 -10.7177 -10.7177 -9.0420 -9.0420 -8.8925 -8.8925 -7.7176 -7.7176 -7.5267 -7.5267 -1.2149 -1.2149 4.2308 4.2308 4.9181 4.9181 5.2627 5.2627 5.7218 5.7218 5.9420 5.9420 6.7068 6.7068 7.0419 7.0419 7.4440 7.4440 7.5716 7.5716 8.0897 8.0897 8.4047 8.4047 14.1513 14.1513 14.5991 14.5991 15.5314 15.5314 15.7868 15.7868 15.8649 15.8649 k =-0.1006 0.2284 1.1112 ( 2972 PWs) bands (ev): -29.7595 -29.7595 -29.7500 -29.7500 -11.4007 -11.4007 -11.2421 -11.2421 -11.0648 -11.0648 -10.8516 -10.8516 -10.8084 -10.8084 -10.7133 -10.7133 -9.0561 -9.0561 -8.8938 -8.8938 -7.6926 -7.6926 -7.5205 -7.5205 -1.1683 -1.1683 4.2576 4.2576 4.8863 4.8863 5.2433 5.2433 5.7603 5.7603 5.8548 5.8548 6.6936 6.6936 7.0424 7.0424 7.4435 7.4435 7.5848 7.5848 8.0511 8.0511 8.3921 8.3921 14.1883 14.1883 14.5933 14.5933 15.5689 15.5689 15.7870 15.7870 15.8381 15.8381 k =-0.1064 0.2415 1.0968 ( 2972 PWs) bands (ev): -29.7598 -29.7598 -29.7504 -29.7504 -11.4110 -11.4110 -11.2440 -11.2440 -11.0632 -11.0632 -10.8539 -10.8539 -10.8047 -10.8047 -10.7090 -10.7090 -9.0704 -9.0704 -8.8952 -8.8952 -7.6668 -7.6668 -7.5140 -7.5140 -1.1182 -1.1182 4.2864 4.2864 4.8547 4.8547 5.2235 5.2235 5.7572 5.7572 5.8040 5.8040 6.6799 6.6799 7.0440 7.0440 7.4421 7.4421 7.5980 7.5980 8.0104 8.0104 8.3782 8.3782 14.2266 14.2266 14.5898 14.5898 15.6065 15.6065 15.7540 15.7540 15.8383 15.8383 k =-0.1122 0.2547 1.0825 ( 2980 PWs) bands (ev): -29.7601 -29.7601 -29.7509 -29.7509 -11.4219 -11.4219 -11.2458 -11.2458 -11.0613 -11.0613 -10.8562 -10.8562 -10.8010 -10.8010 -10.7047 -10.7047 -9.0848 -9.0848 -8.8969 -8.8969 -7.6403 -7.6403 -7.5073 -7.5073 -1.0646 -1.0646 4.3170 4.3170 4.8233 4.8233 5.2034 5.2034 5.6601 5.6601 5.8423 5.8423 6.6657 6.6657 7.0464 7.0464 7.4400 7.4400 7.6111 7.6111 7.9677 7.9677 8.3632 8.3632 14.2658 14.2658 14.5888 14.5888 15.6429 15.6429 15.7043 15.7043 15.8521 15.8521 k =-0.1180 0.2678 1.0681 ( 2976 PWs) bands (ev): -29.7604 -29.7604 -29.7513 -29.7513 -11.4333 -11.4333 -11.2475 -11.2475 -11.0592 -11.0592 -10.8584 -10.8584 -10.7970 -10.7970 -10.7004 -10.7004 -9.0991 -9.0991 -8.8988 -8.8988 -7.6134 -7.6134 -7.5002 -7.5002 -1.0075 -1.0075 4.3496 4.3496 4.7924 4.7924 5.1830 5.1830 5.5565 5.5565 5.8827 5.8827 6.6512 6.6512 7.0492 7.0492 7.4372 7.4372 7.6240 7.6240 7.9232 7.9232 8.3472 8.3472 14.3056 14.3056 14.5902 14.5902 15.6419 15.6419 15.6866 15.6866 15.8689 15.8689 k =-0.1237 0.2810 1.0537 ( 2978 PWs) bands (ev): -29.7608 -29.7608 -29.7518 -29.7518 -11.4452 -11.4452 -11.2491 -11.2491 -11.0569 -11.0569 -10.8605 -10.8605 -10.7930 -10.7930 -10.6962 -10.6962 -9.1134 -9.1134 -8.9008 -8.9008 -7.5862 -7.5862 -7.4930 -7.4930 -0.9470 -0.9470 4.3839 4.3839 4.7618 4.7618 5.1624 5.1624 5.4483 5.4483 5.9237 5.9237 6.6365 6.6365 7.0522 7.0522 7.4338 7.4338 7.6363 7.6363 7.8773 7.8773 8.3303 8.3303 14.3456 14.3456 14.5941 14.5941 15.5855 15.5855 15.7218 15.7218 15.8858 15.8858 k =-0.1295 0.2941 1.0394 ( 2980 PWs) bands (ev): -29.7611 -29.7611 -29.7522 -29.7522 -11.4573 -11.4573 -11.2509 -11.2509 -11.0544 -11.0544 -10.8624 -10.8624 -10.7888 -10.7888 -10.6921 -10.6921 -9.1275 -9.1275 -8.9030 -8.9030 -7.5589 -7.5589 -7.4856 -7.4856 -0.8832 -0.8832 4.4198 4.4198 4.7318 4.7318 5.1417 5.1417 5.3362 5.3362 5.9653 5.9653 6.6214 6.6214 7.0550 7.0550 7.4297 7.4297 7.6479 7.6479 7.8304 7.8304 8.3126 8.3126 14.3853 14.3853 14.6003 14.6003 15.5267 15.5267 15.7587 15.7587 15.9008 15.9008 k =-0.1353 0.3072 1.0250 ( 2980 PWs) bands (ev): -29.7615 -29.7615 -29.7527 -29.7527 -11.4697 -11.4697 -11.2527 -11.2527 -11.0518 -11.0518 -10.8642 -10.8642 -10.7845 -10.7845 -10.6880 -10.6880 -9.1414 -9.1414 -8.9052 -8.9052 -7.5317 -7.5317 -7.4780 -7.4780 -0.8160 -0.8160 4.4571 4.4571 4.7025 4.7025 5.1209 5.1209 5.2208 5.2208 6.0073 6.0073 6.6061 6.6061 7.0575 7.0575 7.4249 7.4249 7.6586 7.6586 7.7827 7.7827 8.2943 8.2943 14.4242 14.4242 14.6090 14.6090 15.4687 15.4687 15.7952 15.7952 15.9110 15.9110 k =-0.1411 0.3204 1.0107 ( 2976 PWs) bands (ev): -29.7618 -29.7618 -29.7532 -29.7532 -11.4822 -11.4822 -11.2546 -11.2546 -11.0490 -11.0490 -10.8658 -10.8658 -10.7802 -10.7802 -10.6840 -10.6840 -9.1551 -9.1551 -8.9075 -8.9075 -7.5047 -7.5047 -7.4703 -7.4703 -0.7455 -0.7455 4.4953 4.4953 4.6737 4.6737 5.0984 5.0984 5.1045 5.1045 6.0497 6.0497 6.5907 6.5907 7.0593 7.0593 7.4194 7.4194 7.6679 7.6679 7.7351 7.7351 8.2755 8.2755 14.4615 14.4615 14.6200 14.6200 15.4129 15.4129 15.8310 15.8310 15.9115 15.9115 k =-0.1469 0.3335 0.9963 ( 2974 PWs) bands (ev): -29.7622 -29.7622 -29.7536 -29.7536 -11.4947 -11.4947 -11.2567 -11.2567 -11.0462 -11.0462 -10.8672 -10.8672 -10.7757 -10.7757 -10.6800 -10.6800 -9.1685 -9.1685 -8.9099 -8.9099 -7.4781 -7.4781 -7.4624 -7.4624 -0.6718 -0.6718 4.5333 4.5333 4.6457 4.6457 4.9834 4.9834 5.0798 5.0798 6.0926 6.0926 6.5750 6.5750 7.0600 7.0600 7.4129 7.4129 7.6738 7.6738 7.6901 7.6901 8.2566 8.2566 14.4963 14.4963 14.6333 14.6333 15.3605 15.3605 15.8657 15.8657 15.8987 15.8987 k =-0.1527 0.3467 0.9819 ( 2975 PWs) bands (ev): -29.7626 -29.7626 -29.7541 -29.7541 -11.5071 -11.5071 -11.2589 -11.2589 -11.0433 -11.0433 -10.8684 -10.8684 -10.7711 -10.7711 -10.6762 -10.6762 -9.1815 -9.1815 -8.9123 -8.9123 -7.4565 -7.4565 -7.4501 -7.4501 -0.5950 -0.5950 4.5675 4.5675 4.6189 4.6189 4.8667 4.8667 5.0594 5.0594 6.1360 6.1360 6.5591 6.5591 7.0593 7.0593 7.4049 7.4049 7.6406 7.6406 7.6839 7.6839 8.2378 8.2378 14.5277 14.5277 14.6488 14.6488 15.3130 15.3130 15.8736 15.8736 15.8992 15.8992 k =-0.1585 0.3598 0.9676 ( 2978 PWs) bands (ev): -29.7630 -29.7630 -29.7546 -29.7546 -11.5194 -11.5194 -11.2612 -11.2612 -11.0405 -11.0405 -10.8694 -10.8694 -10.7664 -10.7664 -10.6724 -10.6724 -9.1941 -9.1941 -8.9148 -8.9148 -7.4479 -7.4479 -7.4253 -7.4253 -0.5150 -0.5150 4.5786 4.5786 4.5978 4.5978 4.7673 4.7673 5.0394 5.0394 6.1797 6.1797 6.5430 6.5430 7.0564 7.0564 7.3951 7.3951 7.5982 7.5982 7.6878 7.6878 8.2194 8.2194 14.5541 14.5541 14.6664 14.6664 15.2717 15.2717 15.8422 15.8422 15.9305 15.9305 k =-0.1643 0.3730 0.9532 ( 2983 PWs) bands (ev): -29.7633 -29.7633 -29.7551 -29.7551 -11.5316 -11.5316 -11.2637 -11.2637 -11.0378 -11.0378 -10.8702 -10.8702 -10.7617 -10.7617 -10.6688 -10.6688 -9.2063 -9.2063 -8.9172 -8.9172 -7.4402 -7.4402 -7.4004 -7.4004 -0.4321 -0.4321 4.5302 4.5302 4.5715 4.5715 4.7331 4.7331 5.0197 5.0197 6.2239 6.2239 6.5267 6.5267 7.0506 7.0506 7.3826 7.3826 7.5599 7.5599 7.6895 7.6895 8.2018 8.2018 14.5743 14.5743 14.6861 14.6861 15.2382 15.2382 15.8082 15.8082 15.9594 15.9594 k =-0.1701 0.3861 0.9389 ( 2977 PWs) bands (ev): -29.7637 -29.7637 -29.7555 -29.7555 -11.5434 -11.5434 -11.2663 -11.2663 -11.0352 -11.0352 -10.8708 -10.8708 -10.7568 -10.7568 -10.6652 -10.6652 -9.2180 -9.2180 -8.9196 -8.9196 -7.4327 -7.4327 -7.3761 -7.3761 -0.3462 -0.3462 4.4238 4.4238 4.5443 4.5443 4.7586 4.7586 5.0005 5.0005 6.2684 6.2684 6.5103 6.5103 7.0411 7.0411 7.3669 7.3669 7.5279 7.5279 7.6885 7.6885 8.1852 8.1852 14.5868 14.5868 14.7077 14.7077 15.2136 15.2136 15.7744 15.7744 15.9853 15.9853 k =-0.1758 0.3992 0.9245 ( 2977 PWs) bands (ev): -29.7641 -29.7641 -29.7559 -29.7559 -11.5549 -11.5549 -11.2690 -11.2690 -11.0327 -11.0327 -10.8712 -10.8712 -10.7519 -10.7519 -10.6618 -10.6618 -9.2293 -9.2293 -8.9221 -8.9221 -7.4254 -7.4254 -7.3526 -7.3526 -0.2575 -0.2575 4.2985 4.2985 4.5201 4.5201 4.8009 4.8009 4.9819 4.9819 6.3133 6.3133 6.4936 6.4936 7.0268 7.0268 7.3482 7.3482 7.5030 7.5030 7.6843 7.6843 8.1701 8.1701 14.5908 14.5908 14.7311 14.7311 15.1988 15.1988 15.7422 15.7422 16.0077 16.0077 k =-0.1816 0.4124 0.9101 ( 2981 PWs) bands (ev): -29.7644 -29.7644 -29.7564 -29.7564 -11.5661 -11.5661 -11.2717 -11.2717 -11.0304 -11.0304 -10.8715 -10.8715 -10.7470 -10.7470 -10.6586 -10.6586 -9.2400 -9.2400 -8.9244 -8.9244 -7.4183 -7.4183 -7.3301 -7.3301 -0.1662 -0.1662 4.1675 4.1675 4.4973 4.4973 4.8489 4.8489 4.9638 4.9638 6.3585 6.3585 6.4766 6.4766 7.0068 7.0068 7.3282 7.3282 7.4849 7.4849 7.6767 7.6767 8.1567 8.1567 14.5863 14.5863 14.7562 14.7562 15.1933 15.1933 15.7126 15.7126 16.0262 16.0262 k =-0.1874 0.4255 0.8958 ( 2983 PWs) bands (ev): -29.7648 -29.7648 -29.7568 -29.7568 -11.5768 -11.5768 -11.2744 -11.2744 -11.0284 -11.0284 -10.8715 -10.8715 -10.7420 -10.7420 -10.6554 -10.6554 -9.2502 -9.2502 -8.9268 -8.9268 -7.4115 -7.4115 -7.3086 -7.3086 -0.0723 -0.0723 4.0339 4.0339 4.4758 4.4758 4.8997 4.8997 4.9466 4.9466 6.4040 6.4040 6.4593 6.4593 6.9804 6.9804 7.3090 7.3090 7.4723 7.4723 7.6655 7.6655 8.1452 8.1452 14.5742 14.5742 14.7828 14.7828 15.1957 15.1957 15.6864 15.6864 16.0409 16.0409 k =-0.1932 0.4387 0.8814 ( 2979 PWs) bands (ev): -29.7651 -29.7651 -29.7572 -29.7572 -11.5870 -11.5870 -11.2771 -11.2771 -11.0265 -11.0265 -10.8714 -10.8714 -10.7371 -10.7371 -10.6524 -10.6524 -9.2599 -9.2599 -8.9291 -8.9291 -7.4049 -7.4049 -7.2882 -7.2882 0.0239 0.0239 3.8991 3.8991 4.4555 4.4555 4.9297 4.9297 4.9528 4.9528 6.4403 6.4403 6.4509 6.4509 6.9479 6.9479 7.2924 7.2924 7.4635 7.4635 7.6507 7.6507 8.1358 8.1358 14.5560 14.5560 14.8109 14.8109 15.2040 15.2040 15.6646 15.6646 16.0518 16.0518 k =-0.1990 0.4518 0.8671 ( 2985 PWs) bands (ev): -29.7655 -29.7655 -29.7576 -29.7576 -11.5967 -11.5967 -11.2798 -11.2798 -11.0248 -11.0248 -10.8712 -10.8712 -10.7322 -10.7322 -10.6496 -10.6496 -9.2689 -9.2689 -8.9313 -8.9313 -7.3986 -7.3986 -7.2689 -7.2689 0.1222 0.1222 3.7637 3.7637 4.4364 4.4364 4.9141 4.9141 5.0071 5.0071 6.4225 6.4225 6.4960 6.4960 6.9101 6.9101 7.2790 7.2790 7.4574 7.4574 7.6322 7.6322 8.1284 8.1284 14.5336 14.5336 14.8401 14.8401 15.2153 15.2153 15.6478 15.6478 16.0593 16.0593 k =-0.2048 0.4649 0.8527 ( 2987 PWs) bands (ev): -29.7658 -29.7658 -29.7579 -29.7579 -11.6059 -11.6059 -11.2825 -11.2825 -11.0234 -11.0234 -10.8709 -10.8709 -10.7274 -10.7274 -10.6470 -10.6470 -9.2774 -9.2774 -8.9334 -8.9334 -7.3927 -7.3927 -7.2509 -7.2509 0.2224 0.2224 3.6284 3.6284 4.4185 4.4185 4.8993 4.8993 5.0626 5.0626 6.4030 6.4030 6.5420 6.5420 6.8686 6.8686 7.2689 7.2689 7.4532 7.4532 7.6102 7.6102 8.1229 8.1229 14.5086 14.5086 14.8702 14.8702 15.2274 15.2274 15.6370 15.6370 16.0640 16.0640 k =-0.2106 0.4781 0.8383 ( 2983 PWs) bands (ev): -29.7661 -29.7661 -29.7583 -29.7583 -11.6144 -11.6144 -11.2850 -11.2850 -11.0221 -11.0221 -10.8705 -10.8705 -10.7228 -10.7228 -10.6445 -10.6445 -9.2853 -9.2853 -8.9354 -8.9354 -7.3871 -7.3871 -7.2341 -7.2341 0.3242 0.3242 3.4938 3.4938 4.4019 4.4019 4.8855 4.8855 5.1191 5.1191 6.3822 6.3822 6.5881 6.5881 6.8249 6.8249 7.2614 7.2614 7.4502 7.4502 7.5851 7.5851 8.1191 8.1191 14.4826 14.4826 14.9012 14.9012 15.2380 15.2380 15.6325 15.6325 16.0663 16.0663 k =-0.2164 0.4912 0.8240 ( 2990 PWs) bands (ev): -29.7663 -29.7663 -29.7586 -29.7586 -11.6223 -11.6223 -11.2874 -11.2874 -11.0211 -11.0211 -10.8700 -10.8700 -10.7183 -10.7183 -10.6423 -10.6423 -9.2925 -9.2925 -8.9373 -8.9373 -7.3819 -7.3819 -7.2186 -7.2186 0.4271 0.4271 3.3603 3.3603 4.3867 4.3867 4.8726 4.8726 5.1764 5.1764 6.3595 6.3595 6.6341 6.6341 6.7808 6.7808 7.2559 7.2559 7.4481 7.4481 7.5573 7.5573 8.1166 8.1166 14.4566 14.4566 14.9325 14.9325 15.2458 15.2458 15.6346 15.6346 16.0663 16.0664 k =-0.2222 0.5044 0.8096 ( 2991 PWs) bands (ev): -29.7666 -29.7666 -29.7589 -29.7589 -11.6296 -11.6296 -11.2896 -11.2896 -11.0203 -11.0203 -10.8695 -10.8695 -10.7141 -10.7141 -10.6402 -10.6402 -9.2991 -9.2991 -8.9390 -8.9390 -7.3771 -7.3771 -7.2044 -7.2044 0.5306 0.5306 3.2288 3.2288 4.3727 4.3727 4.8609 4.8609 5.2340 5.2340 6.3345 6.3345 6.6799 6.6799 6.7378 6.7378 7.2519 7.2519 7.4467 7.4467 7.5271 7.5271 8.1153 8.1153 14.4314 14.4314 14.9639 14.9639 15.2503 15.2503 15.6427 15.6427 16.0636 16.0636 k =-0.2279 0.5175 0.7953 ( 2989 PWs) bands (ev): -29.7668 -29.7668 -29.7592 -29.7592 -11.6361 -11.6361 -11.2917 -11.2917 -11.0196 -11.0196 -10.8690 -10.8690 -10.7101 -10.7101 -10.6384 -10.6384 -9.3051 -9.3051 -8.9406 -8.9406 -7.3728 -7.3728 -7.1917 -7.1917 0.6341 0.6341 3.1000 3.1000 4.3602 4.3602 4.8502 4.8502 5.2916 5.2916 6.3068 6.3068 6.6974 6.6974 6.7254 6.7254 7.2490 7.2490 7.4456 7.4456 7.4952 7.4952 8.1148 8.1148 14.4077 14.4077 14.9950 14.9950 15.2516 15.2516 15.6557 15.6557 16.0554 16.0555 k =-0.2337 0.5307 0.7809 ( 2988 PWs) bands (ev): -29.7670 -29.7670 -29.7594 -29.7594 -11.6420 -11.6420 -11.2936 -11.2936 -11.0190 -11.0190 -10.8685 -10.8685 -10.7064 -10.7064 -10.6368 -10.6368 -9.3103 -9.3103 -8.9421 -8.9421 -7.3689 -7.3689 -7.1803 -7.1803 0.7366 0.7366 2.9749 2.9749 4.3490 4.3490 4.8407 4.8407 5.3489 5.3489 6.2760 6.2760 6.6610 6.6610 6.7702 6.7702 7.2469 7.2469 7.4434 7.4434 7.4633 7.4633 8.1149 8.1149 14.3860 14.3860 15.0252 15.0252 15.2504 15.2504 15.6721 15.6721 16.0373 16.0374 k =-0.2395 0.5438 0.7665 ( 2996 PWs) bands (ev): -29.7672 -29.7672 -29.7596 -29.7596 -11.6471 -11.6471 -11.2953 -11.2953 -11.0186 -11.0186 -10.8680 -10.8680 -10.7032 -10.7032 -10.6354 -10.6354 -9.3149 -9.3149 -8.9433 -8.9433 -7.3655 -7.3655 -7.1705 -7.1705 0.8367 0.8367 2.8550 2.8550 4.3393 4.3393 4.8324 4.8324 5.4052 5.4052 6.2421 6.2421 6.6294 6.6294 6.8140 6.8140 7.2454 7.2454 7.4237 7.4237 7.4482 7.4482 8.1155 8.1155 14.3666 14.3666 15.0539 15.0539 15.2476 15.2476 15.6901 15.6901 16.0112 16.0113 k =-0.2453 0.5569 0.7522 ( 2994 PWs) bands (ev): -29.7674 -29.7674 -29.7598 -29.7598 -11.6515 -11.6515 -11.2968 -11.2968 -11.0183 -11.0183 -10.8676 -10.8676 -10.7003 -10.7003 -10.6342 -10.6342 -9.3188 -9.3188 -8.9444 -8.9444 -7.3626 -7.3626 -7.1621 -7.1621 0.9326 0.9326 2.7423 2.7423 4.3310 4.3310 4.8253 4.8253 5.4596 5.4596 6.2058 6.2058 6.6031 6.6031 6.8564 6.8564 7.2442 7.2442 7.3901 7.3901 7.4470 7.4470 8.1162 8.1162 14.3499 14.3499 15.0805 15.0805 15.2439 15.2439 15.7082 15.7082 15.9837 15.9837 k =-0.2511 0.5701 0.7378 ( 2990 PWs) bands (ev): -29.7675 -29.7675 -29.7599 -29.7599 -11.6550 -11.6550 -11.2979 -11.2979 -11.0180 -11.0180 -10.8672 -10.8672 -10.6978 -10.6978 -10.6332 -10.6332 -9.3220 -9.3220 -8.9453 -8.9453 -7.3602 -7.3602 -7.1552 -7.1552 1.0217 1.0217 2.6393 2.6393 4.3242 4.3242 4.8194 4.8194 5.5108 5.5108 6.1686 6.1686 6.5821 6.5821 6.8965 6.8965 7.2434 7.2434 7.3562 7.3562 7.4468 7.4468 8.1170 8.1170 14.3359 14.3359 15.1042 15.1042 15.2401 15.2401 15.7252 15.7252 15.9580 15.9580 k =-0.2569 0.5832 0.7235 ( 2988 PWs) bands (ev): -29.7676 -29.7676 -29.7600 -29.7600 -11.6578 -11.6578 -11.2989 -11.2989 -11.0178 -11.0178 -10.8669 -10.8669 -10.6959 -10.6959 -10.6325 -10.6325 -9.3245 -9.3245 -8.9461 -8.9461 -7.3583 -7.3583 -7.1498 -7.1498 1.1001 1.1001 2.5500 2.5500 4.3189 4.3189 4.8149 4.8149 5.5569 5.5569 6.1328 6.1328 6.5663 6.5663 6.9329 6.9329 7.2429 7.2429 7.3244 7.3244 7.4469 7.4469 8.1177 8.1177 14.3249 14.3249 15.1240 15.1240 15.2367 15.2367 15.7396 15.7396 15.9362 15.9362 k =-0.2627 0.5964 0.7091 ( 2986 PWs) bands (ev): -29.7677 -29.7677 -29.7601 -29.7601 -11.6598 -11.6598 -11.2996 -11.2996 -11.0177 -11.0177 -10.8666 -10.8666 -10.6945 -10.6945 -10.6320 -10.6320 -9.3263 -9.3263 -8.9466 -8.9466 -7.3570 -7.3570 -7.1459 -7.1459 1.1629 1.1629 2.4795 2.4795 4.3151 4.3151 4.8116 4.8116 5.5948 5.5948 6.1018 6.1018 6.5553 6.5553 6.9634 6.9634 7.2426 7.2426 7.2971 7.2971 7.4470 7.4470 8.1183 8.1183 14.3170 14.3170 15.1390 15.1390 15.2340 15.2340 15.7507 15.7507 15.9195 15.9195 k =-0.2685 0.6095 0.6947 ( 2984 PWs) bands (ev): -29.7677 -29.7677 -29.7602 -29.7602 -11.6610 -11.6610 -11.3000 -11.3000 -11.0176 -11.0176 -10.8665 -10.8665 -10.6937 -10.6937 -10.6316 -10.6316 -9.3274 -9.3274 -8.9469 -8.9469 -7.3562 -7.3562 -7.1436 -7.1436 1.2042 1.2042 2.4335 2.4335 4.3129 4.3129 4.8096 4.8096 5.6204 5.6204 6.0802 6.0802 6.5489 6.5489 6.9846 6.9846 7.2424 7.2424 7.2778 7.2778 7.4471 7.4471 8.1186 8.1186 14.3122 14.3122 15.1484 15.1484 15.2323 15.2323 15.7576 15.7576 15.9091 15.9092 k =-0.2742 0.6227 0.6804 ( 2980 PWs) bands (ev): -29.7677 -29.7677 -29.7602 -29.7602 -11.6614 -11.6614 -11.3001 -11.3001 -11.0176 -11.0176 -10.8664 -10.8664 -10.6934 -10.6934 -10.6315 -10.6315 -9.3277 -9.3277 -8.9470 -8.9470 -7.3559 -7.3559 -7.1428 -7.1428 1.2187 1.2187 2.4175 2.4175 4.3121 4.3121 4.8090 4.8090 5.6296 5.6296 6.0723 6.0723 6.5468 6.5468 6.9923 6.9923 7.2424 7.2424 7.2706 7.2706 7.4471 7.4471 8.1188 8.1188 14.3106 14.3106 15.1516 15.1516 15.2317 15.2317 15.7599 15.7599 15.9056 15.9056 k =-0.2742 0.6227 0.6804 ( 2980 PWs) bands (ev): -29.7677 -29.7677 -29.7602 -29.7602 -11.6614 -11.6614 -11.3001 -11.3001 -11.0176 -11.0176 -10.8664 -10.8664 -10.6934 -10.6934 -10.6315 -10.6315 -9.3277 -9.3277 -8.9470 -8.9470 -7.3559 -7.3559 -7.1428 -7.1428 1.2187 1.2187 2.4175 2.4175 4.3121 4.3121 4.8090 4.8090 5.6296 5.6296 6.0723 6.0723 6.5468 6.5468 6.9923 6.9923 7.2424 7.2424 7.2706 7.2706 7.4471 7.4471 8.1188 8.1188 14.3106 14.3106 15.1516 15.1516 15.2317 15.2317 15.7599 15.7599 15.9056 15.9056 k =-0.2684 0.6094 0.6659 ( 2988 PWs) bands (ev): -29.7682 -29.7682 -29.7594 -29.7594 -11.6511 -11.6511 -11.3053 -11.3053 -11.0282 -11.0282 -10.8640 -10.8640 -10.6942 -10.6942 -10.6304 -10.6304 -9.3097 -9.3097 -8.9726 -8.9726 -7.3506 -7.3506 -7.1381 -7.1381 1.2094 1.2094 2.4224 2.4224 4.3006 4.3006 4.8137 4.8137 5.6426 5.6426 6.0646 6.0646 6.5480 6.5480 6.9825 6.9825 7.2175 7.2175 7.2856 7.2856 7.4486 7.4486 8.1073 8.1073 14.3712 14.3712 15.1330 15.1330 15.2700 15.2700 15.7755 15.7755 15.8817 15.8817 k =-0.2626 0.5962 0.6514 ( 2990 PWs) bands (ev): -29.7688 -29.7688 -29.7587 -29.7587 -11.6404 -11.6404 -11.3104 -11.3104 -11.0388 -11.0388 -10.8615 -10.8615 -10.6952 -10.6952 -10.6292 -10.6292 -9.2961 -9.2961 -8.9927 -8.9927 -7.3462 -7.3462 -7.1333 -7.1333 1.2010 1.2010 2.4258 2.4258 4.2858 4.2858 4.8245 4.8245 5.6567 5.6567 6.0598 6.0598 6.5510 6.5510 6.9739 6.9739 7.1907 7.1907 7.3000 7.3000 7.4511 7.4511 8.0956 8.0956 14.4271 14.4271 15.1100 15.1100 15.2997 15.2997 15.7889 15.7889 15.8568 15.8568 k =-0.2567 0.5829 0.6369 ( 2994 PWs) bands (ev): -29.7694 -29.7694 -29.7580 -29.7580 -11.6293 -11.6293 -11.3155 -11.3155 -11.0494 -11.0494 -10.8589 -10.8589 -10.6963 -10.6963 -10.6280 -10.6280 -9.2890 -9.2890 -9.0051 -9.0051 -7.3426 -7.3426 -7.1285 -7.1285 1.1936 1.1936 2.4277 2.4277 4.2683 4.2683 4.8406 4.8406 5.6717 5.6717 6.0578 6.0578 6.5558 6.5558 6.9664 6.9664 7.1621 7.1621 7.3137 7.3137 7.4547 7.4547 8.0840 8.0840 14.4780 14.4780 15.0828 15.0828 15.3200 15.3200 15.8000 15.8000 15.8311 15.8311 k =-0.2509 0.5697 0.6225 ( 2990 PWs) bands (ev): -29.7700 -29.7700 -29.7573 -29.7573 -11.6179 -11.6179 -11.3206 -11.3206 -11.0599 -11.0599 -10.8562 -10.8562 -10.6975 -10.6975 -10.6267 -10.6267 -9.2901 -9.2901 -9.0081 -9.0081 -7.3399 -7.3399 -7.1237 -7.1237 1.1872 1.1872 2.4281 2.4281 4.2491 4.2491 4.8612 4.8612 5.6878 5.6878 6.0586 6.0586 6.5625 6.5625 6.9601 6.9601 7.1318 7.1318 7.3266 7.3266 7.4594 7.4594 8.0725 8.0725 14.5232 14.5232 15.0517 15.0517 15.3303 15.3303 15.8038 15.8038 15.8095 15.8095 k =-0.2451 0.5564 0.6080 ( 2998 PWs) bands (ev): -29.7706 -29.7706 -29.7567 -29.7567 -11.6062 -11.6062 -11.3258 -11.3258 -11.0702 -11.0702 -10.8536 -10.8536 -10.6989 -10.6989 -10.6254 -10.6254 -9.2998 -9.2998 -9.0016 -9.0016 -7.3381 -7.3381 -7.1189 -7.1189 1.1817 1.1817 2.4269 2.4269 4.2288 4.2288 4.8856 4.8856 5.7049 5.7049 6.0624 6.0624 6.5709 6.5709 6.9549 6.9549 7.0999 7.0999 7.3386 7.3386 7.4652 7.4652 8.0613 8.0613 14.5620 14.5620 15.0169 15.0169 15.3303 15.3303 15.7771 15.7771 15.8154 15.8154 k =-0.2392 0.5432 0.5935 ( 2990 PWs) bands (ev): -29.7713 -29.7713 -29.7561 -29.7561 -11.5940 -11.5940 -11.3311 -11.3311 -11.0800 -11.0800 -10.8509 -10.8509 -10.7003 -10.7003 -10.6241 -10.6241 -9.3168 -9.3168 -8.9867 -8.9867 -7.3371 -7.3371 -7.1142 -7.1142 1.1773 1.1773 2.4242 2.4242 4.2079 4.2079 4.9132 4.9132 5.7229 5.7229 6.0690 6.0690 6.5811 6.5811 6.9509 6.9509 7.0665 7.0665 7.3496 7.3496 7.4720 7.4720 8.0505 8.0505 14.5935 14.5935 14.9789 14.9789 15.3202 15.3202 15.7492 15.7492 15.8194 15.8194 k =-0.2334 0.5299 0.5790 ( 2988 PWs) bands (ev): -29.7720 -29.7720 -29.7555 -29.7555 -11.5816 -11.5816 -11.3368 -11.3368 -11.0894 -11.0894 -10.8482 -10.8482 -10.7018 -10.7018 -10.6228 -10.6228 -9.3392 -9.3392 -8.9653 -8.9653 -7.3369 -7.3369 -7.1094 -7.1094 1.1739 1.1739 2.4199 2.4199 4.1869 4.1869 4.9435 4.9435 5.7418 5.7418 6.0784 6.0784 6.5930 6.5930 6.9479 6.9479 7.0319 7.0319 7.3596 7.3596 7.4799 7.4799 8.0402 8.0402 14.6163 14.6163 14.9379 14.9379 15.3007 15.3007 15.7208 15.7208 15.8209 15.8209 k =-0.2276 0.5167 0.5646 ( 2992 PWs) bands (ev): -29.7728 -29.7728 -29.7550 -29.7550 -11.5689 -11.5689 -11.3429 -11.3429 -11.0980 -11.0980 -10.8456 -10.8456 -10.7033 -10.7033 -10.6215 -10.6215 -9.3653 -9.3653 -8.9394 -8.9394 -7.3376 -7.3376 -7.1047 -7.1047 1.1717 1.1717 2.4142 2.4142 4.1661 4.1661 4.9762 4.9762 5.7613 5.7613 6.0907 6.0907 6.6065 6.6065 6.9459 6.9459 6.9965 6.9965 7.3685 7.3685 7.4888 7.4888 8.0304 8.0304 14.6287 14.6287 14.8942 14.8942 15.2734 15.2734 15.6919 15.6919 15.8194 15.8194 k =-0.2217 0.5034 0.5501 ( 2992 PWs) bands (ev): -29.7736 -29.7736 -29.7545 -29.7545 -11.5561 -11.5561 -11.3493 -11.3493 -11.1058 -11.1058 -10.8429 -10.8429 -10.7049 -10.7049 -10.6202 -10.6202 -9.3938 -9.3938 -8.9103 -8.9103 -7.3392 -7.3392 -7.1000 -7.1000 1.1706 1.1706 2.4070 2.4070 4.1456 4.1456 5.0109 5.0109 5.7813 5.7813 6.1057 6.1057 6.6213 6.6213 6.9434 6.9434 6.9621 6.9621 7.3762 7.3762 7.4987 7.4987 8.0213 8.0213 14.6286 14.6286 14.8483 14.8483 15.2408 15.2408 15.6625 15.6625 15.8148 15.8148 k =-0.2159 0.4902 0.5356 ( 2984 PWs) bands (ev): -29.7744 -29.7744 -29.7540 -29.7540 -11.5430 -11.5430 -11.3561 -11.3561 -11.1125 -11.1125 -10.8403 -10.8403 -10.7065 -10.7065 -10.6190 -10.6190 -9.4237 -9.4237 -8.8788 -8.8788 -7.3416 -7.3416 -7.0954 -7.0954 1.1707 1.1707 2.3985 2.3985 4.1258 4.1258 5.0476 5.0476 5.8014 5.8014 6.1233 6.1233 6.6373 6.6373 6.9210 6.9210 6.9487 6.9487 7.3827 7.3827 7.5096 7.5096 8.0131 8.0131 14.6137 14.6137 14.8006 14.8006 15.2059 15.2059 15.6328 15.6328 15.8063 15.8063 k =-0.2101 0.4769 0.5211 ( 2988 PWs) bands (ev): -29.7753 -29.7753 -29.7536 -29.7536 -11.5300 -11.5300 -11.3633 -11.3633 -11.1181 -11.1181 -10.8377 -10.8377 -10.7081 -10.7081 -10.6179 -10.6179 -9.4545 -9.4545 -8.8457 -8.8457 -7.3447 -7.3447 -7.0909 -7.0909 1.1721 1.1721 2.3886 2.3886 4.1066 4.1066 5.0858 5.0858 5.8211 5.8211 6.1434 6.1434 6.6536 6.6536 6.8868 6.8868 6.9494 6.9494 7.3879 7.3879 7.5215 7.5215 8.0056 8.0056 14.5819 14.5819 14.7512 14.7512 15.1716 15.1716 15.6029 15.6029 15.7932 15.7932 k =-0.2042 0.4637 0.5067 ( 2988 PWs) bands (ev): -29.7761 -29.7761 -29.7532 -29.7532 -11.5174 -11.5174 -11.3707 -11.3707 -11.1225 -11.1225 -10.8351 -10.8351 -10.7096 -10.7096 -10.6168 -10.6168 -9.4857 -9.4857 -8.8114 -8.8114 -7.3487 -7.3487 -7.0864 -7.0864 1.1748 1.1748 2.3776 2.3776 4.0883 4.0883 5.1257 5.1257 5.8400 5.8400 6.1660 6.1660 6.6690 6.6690 6.8548 6.8548 6.9519 6.9519 7.3919 7.3919 7.5343 7.5343 7.9989 7.9989 14.5324 14.5324 14.7007 14.7007 15.1397 15.1397 15.5728 15.5728 15.7747 15.7747 k =-0.1984 0.4504 0.4922 ( 2990 PWs) bands (ev): -29.7770 -29.7770 -29.7529 -29.7529 -11.5056 -11.5056 -11.3777 -11.3777 -11.1257 -11.1257 -10.8326 -10.8326 -10.7112 -10.7112 -10.6158 -10.6158 -9.5173 -9.5173 -8.7763 -8.7763 -7.3533 -7.3533 -7.0820 -7.0820 1.1789 1.1789 2.3655 2.3655 4.0707 4.0707 5.1669 5.1669 5.8573 5.8573 6.1908 6.1908 6.6804 6.6804 6.8294 6.8294 6.9556 6.9556 7.3945 7.3945 7.5479 7.5479 7.9931 7.9931 14.4661 14.4661 14.6493 14.6493 15.1106 15.1106 15.5426 15.5426 15.7499 15.7499 k =-0.1926 0.4372 0.4777 ( 2988 PWs) bands (ev): -29.7779 -29.7779 -29.7525 -29.7525 -11.4954 -11.4954 -11.3836 -11.3836 -11.1275 -11.1275 -10.8300 -10.8300 -10.7127 -10.7127 -10.6149 -10.6149 -9.5489 -9.5489 -8.7406 -8.7406 -7.3587 -7.3587 -7.0777 -7.0777 1.1843 1.1843 2.3523 2.3523 4.0540 4.0540 5.2094 5.2094 5.8721 5.8721 6.2179 6.2179 6.6829 6.6829 6.8165 6.8165 6.9603 6.9603 7.3958 7.3958 7.5624 7.5624 7.9881 7.9881 14.3850 14.3850 14.5975 14.5975 15.0832 15.0832 15.5125 15.5125 15.7185 15.7185 k =-0.1867 0.4239 0.4632 ( 2990 PWs) bands (ev): -29.7789 -29.7789 -29.7523 -29.7523 -11.4881 -11.4881 -11.3870 -11.3870 -11.1280 -11.1280 -10.8275 -10.8275 -10.7141 -10.7141 -10.6141 -10.6141 -9.5805 -9.5805 -8.7046 -8.7046 -7.3648 -7.3648 -7.0735 -7.0735 1.1913 1.1913 2.3382 2.3382 4.0381 4.0381 5.2532 5.2532 5.8833 5.8833 6.2469 6.2469 6.6733 6.6733 6.8201 6.8201 6.9660 6.9660 7.3958 7.3958 7.5778 7.5778 7.9838 7.9838 14.2920 14.2920 14.5456 14.5456 15.0559 15.0559 15.4825 15.4825 15.6800 15.6800 k =-0.1809 0.4107 0.4488 ( 2989 PWs) bands (ev): -29.7798 -29.7798 -29.7520 -29.7520 -11.4851 -11.4851 -11.3865 -11.3865 -11.1274 -11.1274 -10.8250 -10.8250 -10.7155 -10.7155 -10.6134 -10.6134 -9.6119 -9.6119 -8.6683 -8.6683 -7.3715 -7.3715 -7.0694 -7.0694 1.1998 1.1998 2.3233 2.3233 4.0230 4.0230 5.2981 5.2981 5.8897 5.8897 6.2778 6.2778 6.6562 6.6562 6.8372 6.8372 6.9726 6.9726 7.3947 7.3947 7.5938 7.5938 7.9803 7.9803 14.1897 14.1897 14.4939 14.4939 15.0269 15.0269 15.4527 15.4527 15.6351 15.6351 k =-0.1751 0.3974 0.4343 ( 2993 PWs) bands (ev): -29.7808 -29.7808 -29.7518 -29.7518 -11.4872 -11.4872 -11.3812 -11.3812 -11.1255 -11.1255 -10.8226 -10.8226 -10.7168 -10.7168 -10.6128 -10.6128 -9.6432 -9.6432 -8.6320 -8.6320 -7.3788 -7.3788 -7.0655 -7.0655 1.2098 1.2098 2.3077 2.3077 4.0088 4.0088 5.3441 5.3441 5.8898 5.8898 6.3104 6.3104 6.6382 6.6382 6.8623 6.8623 6.9800 6.9800 7.3924 7.3924 7.6106 7.6106 7.9774 7.9774 14.0807 14.0807 14.4427 14.4427 14.9948 14.9948 15.4231 15.4231 15.5842 15.5842 k =-0.1692 0.3842 0.4198 ( 2997 PWs) bands (ev): -29.7818 -29.7818 -29.7516 -29.7516 -11.4939 -11.4939 -11.3716 -11.3716 -11.1227 -11.1227 -10.8201 -10.8201 -10.7180 -10.7180 -10.6123 -10.6123 -9.6742 -9.6742 -8.5957 -8.5957 -7.3867 -7.3867 -7.0616 -7.0616 1.2215 1.2215 2.2915 2.2915 3.9954 3.9954 5.3910 5.3910 5.8823 5.8823 6.3444 6.3444 6.6235 6.6235 6.8924 6.8924 6.9883 6.9883 7.3890 7.3890 7.6279 7.6279 7.9749 7.9749 13.9668 13.9668 14.3923 14.3923 14.9585 14.9585 15.3939 15.3939 15.5286 15.5286 k =-0.1634 0.3709 0.4053 ( 3005 PWs) bands (ev): -29.7828 -29.7828 -29.7514 -29.7514 -11.5039 -11.5039 -11.3588 -11.3588 -11.1188 -11.1188 -10.8177 -10.8177 -10.7191 -10.7191 -10.6120 -10.6120 -9.7050 -9.7050 -8.5597 -8.5597 -7.3951 -7.3951 -7.0579 -7.0579 1.2349 1.2349 2.2748 2.2748 3.9827 3.9827 5.4389 5.4389 5.8663 5.8663 6.3798 6.3798 6.6146 6.6146 6.9261 6.9261 6.9973 6.9973 7.3847 7.3847 7.6459 7.6459 7.9728 7.9728 13.8497 13.8497 14.3430 14.3430 14.9173 14.9173 15.3651 15.3651 15.4694 15.4694 k =-0.1575 0.3577 0.3909 ( 3005 PWs) bands (ev): -29.7837 -29.7837 -29.7513 -29.7513 -11.5161 -11.5161 -11.3438 -11.3438 -11.1141 -11.1141 -10.8152 -10.8152 -10.7200 -10.7200 -10.6117 -10.6117 -9.7355 -9.7355 -8.5239 -8.5239 -7.4040 -7.4040 -7.0544 -7.0544 1.2499 1.2499 2.2577 2.2577 3.9708 3.9708 5.4876 5.4876 5.8413 5.8413 6.4164 6.4164 6.6125 6.6125 6.9626 6.9626 7.0069 7.0069 7.3795 7.3795 7.6643 7.6643 7.9709 7.9709 13.7306 13.7306 14.2952 14.2952 14.8708 14.8708 15.3367 15.3367 15.4080 15.4080 k =-0.1517 0.3444 0.3764 ( 3003 PWs) bands (ev): -29.7847 -29.7847 -29.7512 -29.7512 -11.5296 -11.5296 -11.3275 -11.3275 -11.1086 -11.1086 -10.8126 -10.8126 -10.7207 -10.7207 -10.6116 -10.6116 -9.7658 -9.7658 -8.4886 -8.4886 -7.4132 -7.4132 -7.0509 -7.0509 1.2667 1.2667 2.2404 2.2404 3.9595 3.9595 5.5371 5.5371 5.8075 5.8075 6.4539 6.4539 6.6173 6.6173 7.0016 7.0016 7.0172 7.0172 7.3737 7.3737 7.6832 7.6832 7.9690 7.9690 13.6107 13.6107 14.2490 14.2490 14.8190 14.8190 15.3089 15.3089 15.3454 15.3454 k =-0.1459 0.3312 0.3619 ( 2999 PWs) bands (ev): -29.7857 -29.7857 -29.7511 -29.7511 -11.5440 -11.5440 -11.3103 -11.3103 -11.1024 -11.1024 -10.8100 -10.8100 -10.7212 -10.7212 -10.6116 -10.6116 -9.7957 -9.7957 -8.4539 -8.4539 -7.4229 -7.4229 -7.0477 -7.0477 1.2852 1.2852 2.2229 2.2229 3.9490 3.9490 5.5872 5.5872 5.7655 5.7655 6.4922 6.4922 6.6286 6.6286 7.0279 7.0279 7.0429 7.0429 7.3672 7.3672 7.7024 7.7024 7.9671 7.9671 13.4906 13.4906 14.2047 14.2047 14.7620 14.7620 15.2800 15.2800 15.2844 15.2844 k =-0.1400 0.3180 0.3474 ( 2999 PWs) bands (ev): -29.7867 -29.7867 -29.7510 -29.7510 -11.5589 -11.5589 -11.2924 -11.2924 -11.0955 -11.0955 -10.8074 -10.8074 -10.7216 -10.7216 -10.6117 -10.6117 -9.8254 -9.8254 -8.4197 -8.4197 -7.4328 -7.4328 -7.0445 -7.0445 1.3055 1.3055 2.2053 2.2053 3.9390 3.9390 5.6376 5.6376 5.7167 5.7167 6.5310 6.5310 6.6455 6.6455 7.0392 7.0392 7.0861 7.0861 7.3602 7.3602 7.7218 7.7218 7.9649 7.9649 13.3712 13.3712 14.1625 14.1625 14.7002 14.7002 15.2198 15.2198 15.2558 15.2558 k =-0.1342 0.3047 0.3329 ( 2999 PWs) bands (ev): -29.7877 -29.7877 -29.7510 -29.7510 -11.5741 -11.5741 -11.2741 -11.2741 -11.0882 -11.0882 -10.8046 -10.8046 -10.7218 -10.7218 -10.6120 -10.6120 -9.8547 -9.8547 -8.3863 -8.3863 -7.4430 -7.4430 -7.0416 -7.0416 1.3275 1.3275 2.1877 2.1877 3.9297 3.9297 5.6589 5.6589 5.6913 5.6913 6.5703 6.5703 6.6669 6.6669 7.0509 7.0509 7.1312 7.1312 7.3528 7.3528 7.7415 7.7415 7.9624 7.9624 13.2529 13.2529 14.1226 14.1226 14.6342 14.6342 15.1585 15.1585 15.2300 15.2300 k =-0.1284 0.2915 0.3185 ( 3001 PWs) bands (ev): -29.7886 -29.7886 -29.7509 -29.7509 -11.5894 -11.5894 -11.2557 -11.2557 -11.0803 -11.0803 -10.8018 -10.8018 -10.7216 -10.7216 -10.6125 -10.6125 -9.8837 -9.8837 -8.3537 -8.3537 -7.4533 -7.4533 -7.0387 -7.0387 1.3512 1.3512 2.1703 2.1703 3.9209 3.9209 5.5999 5.5999 5.7417 5.7417 6.6097 6.6097 6.6919 6.6919 7.0629 7.0629 7.1780 7.1780 7.3451 7.3451 7.7612 7.7612 7.9593 7.9593 13.1362 13.1362 14.0852 14.0852 14.5646 14.5646 15.0985 15.0985 15.2051 15.2051 k =-0.1225 0.2782 0.3040 ( 2997 PWs) bands (ev): -29.7896 -29.7896 -29.7509 -29.7509 -11.6046 -11.6046 -11.2371 -11.2371 -11.0721 -11.0721 -10.7987 -10.7987 -10.7213 -10.7213 -10.6131 -10.6131 -9.9125 -9.9125 -8.3219 -8.3219 -7.4638 -7.4638 -7.0361 -7.0361 1.3766 1.3766 2.1531 2.1531 3.9127 3.9127 5.5357 5.5357 5.7935 5.7935 6.6491 6.6491 6.7196 6.7196 7.0752 7.0752 7.2262 7.2262 7.3373 7.3373 7.7809 7.7809 7.9556 7.9556 13.0217 13.0217 14.0503 14.0503 14.4924 14.4924 15.0400 15.0400 15.1812 15.1812 k =-0.1167 0.2650 0.2895 ( 2989 PWs) bands (ev): -29.7905 -29.7905 -29.7509 -29.7509 -11.6196 -11.6196 -11.2186 -11.2186 -11.0635 -11.0635 -10.7955 -10.7955 -10.7206 -10.7206 -10.6138 -10.6138 -9.9409 -9.9409 -8.2912 -8.2912 -7.4744 -7.4744 -7.0336 -7.0336 1.4037 1.4037 2.1361 2.1361 3.9049 3.9049 5.4681 5.4681 5.8455 5.8455 6.6884 6.6884 6.7492 6.7492 7.0875 7.0875 7.2757 7.2757 7.3295 7.3295 7.8005 7.8005 7.9512 7.9512 12.9096 12.9096 14.0183 14.0183 14.4183 14.4183 14.9832 14.9832 15.1581 15.1581 k =-0.1109 0.2517 0.2750 ( 2995 PWs) bands (ev): -29.7914 -29.7914 -29.7509 -29.7509 -11.6344 -11.6344 -11.2003 -11.2003 -11.0546 -11.0546 -10.7920 -10.7920 -10.7196 -10.7196 -10.6147 -10.6147 -9.9690 -9.9690 -8.2614 -8.2614 -7.4849 -7.4849 -7.0312 -7.0312 1.4322 1.4322 2.1195 2.1195 3.8977 3.8977 5.3980 5.3980 5.8976 5.8976 6.7272 6.7272 6.7800 6.7800 7.1000 7.1000 7.3189 7.3189 7.3293 7.3293 7.8199 7.8199 7.9460 7.9460 12.8002 12.8002 13.9890 13.9890 14.3431 14.3431 14.9280 14.9280 15.1360 15.1360 k =-0.1050 0.2385 0.2606 ( 2991 PWs) bands (ev): -29.7923 -29.7923 -29.7510 -29.7510 -11.6488 -11.6488 -11.1824 -11.1824 -11.0455 -11.0455 -10.7883 -10.7883 -10.7183 -10.7183 -10.6158 -10.6158 -9.9968 -9.9968 -8.2328 -8.2328 -7.4954 -7.4954 -7.0290 -7.0290 1.4622 1.4622 2.1034 2.1034 3.8909 3.8909 5.3262 5.3262 5.9495 5.9495 6.7654 6.7654 6.8116 6.8116 7.1124 7.1124 7.3131 7.3131 7.3788 7.3788 7.8390 7.8390 7.9399 7.9399 12.6938 12.6938 13.9627 13.9627 14.2676 14.2676 14.8747 14.8747 15.1150 15.1150 k =-0.0992 0.2252 0.2461 ( 2991 PWs) bands (ev): -29.7931 -29.7931 -29.7510 -29.7510 -11.6628 -11.6628 -11.1650 -11.1650 -11.0362 -11.0362 -10.7841 -10.7841 -10.7167 -10.7167 -10.6170 -10.6170 -10.0244 -10.0244 -8.2054 -8.2054 -7.5058 -7.5058 -7.0270 -7.0270 1.4935 1.4935 2.0878 2.0878 3.8846 3.8846 5.2531 5.2531 6.0012 6.0012 6.8027 6.8027 6.8436 6.8436 7.1248 7.1248 7.3056 7.3056 7.4309 7.4309 7.8576 7.8576 7.9329 7.9329 12.5909 12.5909 13.9393 13.9393 14.1925 14.1925 14.8232 14.8232 15.0950 15.0950 k =-0.0934 0.2120 0.2316 ( 2995 PWs) bands (ev): -29.7940 -29.7940 -29.7511 -29.7511 -11.6763 -11.6763 -11.1483 -11.1483 -11.0268 -11.0268 -10.7796 -10.7796 -10.7147 -10.7147 -10.6185 -10.6185 -10.0516 -10.0516 -8.1791 -8.1791 -7.5160 -7.5160 -7.0251 -7.0251 1.5260 1.5260 2.0728 2.0728 3.8787 3.8787 5.1795 5.1795 6.0523 6.0523 6.8391 6.8391 6.8755 6.8755 7.1370 7.1370 7.2984 7.2984 7.4834 7.4834 7.8754 7.8754 7.9253 7.9253 12.4915 12.4915 13.9189 13.9189 14.1184 14.1184 14.7736 14.7736 15.0761 15.0761 k =-0.0875 0.1987 0.2171 ( 2991 PWs) bands (ev): -29.7947 -29.7947 -29.7511 -29.7511 -11.6892 -11.6892 -11.1324 -11.1324 -11.0172 -11.0172 -10.7746 -10.7746 -10.7123 -10.7123 -10.6201 -10.6201 -10.0784 -10.0784 -8.1542 -8.1542 -7.5259 -7.5259 -7.0233 -7.0233 1.5594 1.5594 2.0585 2.0585 3.8731 3.8731 5.1058 5.1058 6.1026 6.1026 6.8743 6.8743 6.9070 6.9070 7.1489 7.1489 7.2914 7.2914 7.5359 7.5359 7.8914 7.8914 7.9180 7.9180 12.3959 12.3959 13.9015 13.9015 14.0460 14.0460 14.7262 14.7262 15.0582 15.0582 k =-0.0817 0.1855 0.2027 ( 2995 PWs) bands (ev): -29.7955 -29.7955 -29.7512 -29.7512 -11.7015 -11.7015 -11.1174 -11.1174 -11.0077 -11.0077 -10.7691 -10.7691 -10.7095 -10.7095 -10.6219 -10.6219 -10.1048 -10.1048 -8.1307 -8.1307 -7.5356 -7.5356 -7.0217 -7.0217 1.5936 1.5936 2.0449 2.0449 3.8680 3.8680 5.0326 5.0326 6.1521 6.1521 6.9081 6.9081 6.9379 6.9379 7.1604 7.1604 7.2849 7.2849 7.5880 7.5880 7.8980 7.8980 7.9184 7.9184 12.3044 12.3044 13.8870 13.8870 13.9757 13.9757 14.6809 14.6809 15.0415 15.0415 k =-0.0759 0.1722 0.1882 ( 2991 PWs) bands (ev): -29.7962 -29.7962 -29.7513 -29.7513 -11.7132 -11.7132 -11.1035 -11.1035 -10.9982 -10.9982 -10.7629 -10.7629 -10.7062 -10.7062 -10.6238 -10.6238 -10.1308 -10.1308 -8.1086 -8.1086 -7.5448 -7.5448 -7.0203 -7.0203 1.6282 1.6282 2.0320 2.0320 3.8633 3.8633 4.9604 4.9604 6.2003 6.2003 6.9403 6.9403 6.9678 6.9678 7.1715 7.1715 7.2790 7.2790 7.6393 7.6393 7.8906 7.8906 7.9313 7.9313 12.2173 12.2173 13.8753 13.8753 13.9081 13.9081 14.6380 14.6380 15.0260 15.0260 k =-0.0700 0.1590 0.1737 ( 2995 PWs) bands (ev): -29.7969 -29.7969 -29.7513 -29.7513 -11.7242 -11.7242 -11.0908 -11.0908 -10.9888 -10.9888 -10.7561 -10.7561 -10.7025 -10.7025 -10.6260 -10.6260 -10.1565 -10.1565 -8.0879 -8.0879 -7.5537 -7.5537 -7.0189 -7.0189 1.6629 1.6629 2.0201 2.0201 3.8589 3.8589 4.8898 4.8898 6.2471 6.2471 6.9708 6.9708 6.9967 6.9967 7.1821 7.1821 7.2736 7.2736 7.6894 7.6894 7.8796 7.8796 7.9462 7.9462 12.1348 12.1348 13.8434 13.8434 13.8665 13.8665 14.5976 14.5976 15.0115 15.0115 k =-0.0642 0.1457 0.1592 ( 2995 PWs) bands (ev): -29.7975 -29.7975 -29.7514 -29.7514 -11.7344 -11.7344 -11.0793 -11.0793 -10.9798 -10.9798 -10.7488 -10.7488 -10.6982 -10.6982 -10.6283 -10.6283 -10.1815 -10.1815 -8.0687 -8.0687 -7.5621 -7.5621 -7.0177 -7.0177 1.6974 1.6974 2.0091 2.0091 3.8549 3.8549 4.8213 4.8213 6.2920 6.2920 6.9995 6.9995 7.0241 7.0241 7.1921 7.1921 7.2689 7.2689 7.7377 7.7377 7.8674 7.8674 7.9607 7.9607 12.0572 12.0572 13.7825 13.7825 13.8599 13.8599 14.5598 14.5598 14.9982 14.9982 k =-0.0584 0.1325 0.1448 ( 2999 PWs) bands (ev): -29.7981 -29.7981 -29.7515 -29.7515 -11.7438 -11.7438 -11.0690 -11.0690 -10.9713 -10.9713 -10.7409 -10.7409 -10.6933 -10.6933 -10.6307 -10.6307 -10.2060 -10.2060 -8.0510 -8.0510 -7.5699 -7.5699 -7.0167 -7.0167 1.7313 1.7313 1.9991 1.9991 3.8513 3.8513 4.7556 4.7556 6.3349 6.3349 7.0262 7.0262 7.0500 7.0500 7.2013 7.2013 7.2651 7.2651 7.7835 7.7835 7.8551 7.8551 7.9745 7.9745 11.9848 11.9848 13.7255 13.7255 13.8557 13.8557 14.5247 14.5247 14.9861 14.9861 k =-0.0525 0.1192 0.1303 ( 2999 PWs) bands (ev): -29.7986 -29.7986 -29.7515 -29.7515 -11.7524 -11.7524 -11.0599 -11.0599 -10.9633 -10.9633 -10.7326 -10.7326 -10.6878 -10.6878 -10.6333 -10.6333 -10.2298 -10.2298 -8.0350 -8.0350 -7.5772 -7.5772 -7.0157 -7.0157 1.7639 1.7639 1.9902 1.9902 3.8480 3.8480 4.6933 4.6933 6.3753 6.3753 7.0507 7.0507 7.0741 7.0741 7.2096 7.2096 7.2620 7.2620 7.8221 7.8221 7.8470 7.8470 7.9873 7.9873 11.9178 11.9178 13.6727 13.6727 13.8536 13.8536 14.4925 14.4925 14.9752 14.9752 k =-0.0467 0.1060 0.1158 ( 3001 PWs) bands (ev): -29.7991 -29.7991 -29.7516 -29.7516 -11.7602 -11.7602 -11.0520 -11.0520 -10.9560 -10.9560 -10.7243 -10.7243 -10.6817 -10.6817 -10.6360 -10.6360 -10.2527 -10.2527 -8.0205 -8.0205 -7.5838 -7.5838 -7.0149 -7.0149 1.7948 1.7948 1.9826 1.9826 3.8451 3.8451 4.6351 4.6351 6.4129 6.4129 7.0731 7.0731 7.0962 7.0962 7.2170 7.2170 7.2599 7.2599 7.8232 7.8232 7.8733 7.8733 7.9991 7.9991 11.8567 11.8567 13.6246 13.6246 13.8532 13.8532 14.4634 14.4634 14.9653 14.9653 k =-0.0408 0.0927 0.1013 ( 3001 PWs) bands (ev): -29.7995 -29.7995 -29.7517 -29.7517 -11.7671 -11.7671 -11.0452 -11.0452 -10.9496 -10.9496 -10.7160 -10.7160 -10.6749 -10.6749 -10.6385 -10.6385 -10.2746 -10.2746 -8.0077 -8.0077 -7.5898 -7.5898 -7.0142 -7.0142 1.8233 1.8233 1.9765 1.9765 3.8425 3.8425 4.5815 4.5815 6.4473 6.4473 7.0931 7.0931 7.1161 7.1161 7.2232 7.2232 7.2588 7.2588 7.8110 7.8110 7.9094 7.9094 8.0099 8.0099 11.8018 11.8018 13.5813 13.5813 13.8543 13.8543 14.4375 14.4375 14.9567 14.9567 k =-0.0350 0.0795 0.0869 ( 3005 PWs) bands (ev): -29.7999 -29.7999 -29.7517 -29.7517 -11.7732 -11.7732 -11.0394 -11.0394 -10.9440 -10.9440 -10.7082 -10.7082 -10.6679 -10.6679 -10.6406 -10.6406 -10.2951 -10.2951 -7.9965 -7.9965 -7.5950 -7.5950 -7.0136 -7.0136 1.8486 1.8486 1.9720 1.9720 3.8403 3.8403 4.5332 4.5332 6.4781 6.4781 7.1106 7.1106 7.1337 7.1337 7.2282 7.2282 7.2588 7.2588 7.7985 7.7985 7.9425 7.9425 8.0195 8.0195 11.7533 11.7533 13.5433 13.5433 13.8564 13.8564 14.4147 14.4147 14.9492 14.9497 k =-0.0292 0.0662 0.0724 ( 2997 PWs) bands (ev): -29.8002 -29.8002 -29.7518 -29.7518 -11.7783 -11.7783 -11.0346 -11.0346 -10.9393 -10.9393 -10.7010 -10.7010 -10.6621 -10.6621 -10.6412 -10.6412 -10.3140 -10.3140 -7.9870 -7.9870 -7.5995 -7.5995 -7.0130 -7.0130 1.8699 1.8699 1.9696 1.9696 3.8384 3.8384 4.4909 4.4909 6.5050 6.5050 7.1257 7.1257 7.1488 7.1488 7.2319 7.2319 7.2596 7.2596 7.7868 7.7868 7.9712 7.9712 8.0281 8.0281 11.7116 11.7116 13.5106 13.5106 13.8592 13.8592 14.3953 14.3953 14.9429 14.9430 k =-0.0233 0.0530 0.0579 ( 2993 PWs) bands (ev): -29.8005 -29.8005 -29.7518 -29.7518 -11.7825 -11.7825 -11.0307 -11.0307 -10.9355 -10.9355 -10.6943 -10.6943 -10.6597 -10.6597 -10.6385 -10.6385 -10.3309 -10.3309 -7.9792 -7.9792 -7.6032 -7.6032 -7.0126 -7.0126 1.8863 1.8863 1.9694 1.9694 3.8369 3.8369 4.4553 4.4553 6.5275 6.5275 7.1382 7.1382 7.1613 7.1613 7.2345 7.2345 7.2610 7.2610 7.7763 7.7763 7.9948 7.9948 8.0358 8.0358 11.6771 11.6771 13.4836 13.4836 13.8622 13.8622 14.3794 14.3794 14.9378 14.9385 k =-0.0175 0.0397 0.0434 ( 2993 PWs) bands (ev): -29.8007 -29.8007 -29.7518 -29.7518 -11.7859 -11.7859 -11.0277 -11.0277 -10.9326 -10.9326 -10.6882 -10.6882 -10.6610 -10.6610 -10.6331 -10.6331 -10.3451 -10.3451 -7.9732 -7.9732 -7.6062 -7.6062 -7.0123 -7.0123 1.8976 1.8976 1.9713 1.9713 3.8357 3.8357 4.4270 4.4270 6.5454 6.5454 7.1479 7.1479 7.1712 7.1712 7.2363 7.2363 7.2627 7.2627 7.7676 7.7676 8.0126 8.0126 8.0429 8.0429 11.6498 11.6498 13.4624 13.4624 13.8650 13.8650 14.3669 14.3669 14.9335 14.9341 k =-0.0117 0.0265 0.0290 ( 2995 PWs) bands (ev): -29.8008 -29.8008 -29.7519 -29.7519 -11.7882 -11.7882 -11.0257 -11.0257 -10.9305 -10.9305 -10.6825 -10.6825 -10.6640 -10.6640 -10.6276 -10.6276 -10.3559 -10.3559 -7.9688 -7.9688 -7.6083 -7.6083 -7.0121 -7.0121 1.9044 1.9044 1.9744 1.9744 3.8348 3.8348 4.4063 4.4063 6.5584 6.5584 7.1550 7.1550 7.1783 7.1783 7.2374 7.2374 7.2641 7.2641 7.7610 7.7610 8.0242 8.0242 8.0493 8.0493 11.6302 11.6302 13.4472 13.4472 13.8674 13.8674 14.3578 14.3578 14.9301 14.9401 k =-0.0058 0.0132 0.0145 ( 2993 PWs) bands (ev): -29.8009 -29.8009 -29.7519 -29.7519 -11.7896 -11.7896 -11.0245 -11.0245 -10.9292 -10.9292 -10.6772 -10.6772 -10.6679 -10.6679 -10.6236 -10.6236 -10.3628 -10.3628 -7.9662 -7.9662 -7.6095 -7.6095 -7.0119 -7.0119 1.9077 1.9077 1.9771 1.9771 3.8343 3.8343 4.3937 4.3937 6.5663 6.5663 7.1592 7.1592 7.1825 7.1825 7.2381 7.2381 7.2651 7.2651 7.7570 7.7570 8.0303 8.0303 8.0541 8.0541 11.6184 11.6184 13.4380 13.4380 13.8689 13.8689 14.3524 14.3524 14.9276 14.9302 k = 0.0000 0.0000 0.0000 ( 2985 PWs) bands (ev): -29.8010 -29.8010 -29.7519 -29.7519 -11.7901 -11.7901 -11.0240 -11.0240 -10.9287 -10.9287 -10.6724 -10.6724 -10.6723 -10.6723 -10.6222 -10.6222 -10.3651 -10.3651 -7.9654 -7.9654 -7.6100 -7.6100 -7.0119 -7.0119 1.9087 1.9087 1.9781 1.9781 3.8341 3.8341 4.3895 4.3895 6.5689 6.5689 7.1607 7.1607 7.1840 7.1840 7.2383 7.2383 7.2654 7.2654 7.7556 7.7556 8.0321 8.0321 8.0559 8.0559 11.6144 11.6144 13.4349 13.4349 13.8695 13.8695 14.3506 14.3506 14.9255 14.9322 k = 0.0000 0.0000 0.0000 ( 2985 PWs) bands (ev): -29.8010 -29.8010 -29.7519 -29.7519 -11.7901 -11.7901 -11.0240 -11.0240 -10.9287 -10.9287 -10.6724 -10.6724 -10.6723 -10.6723 -10.6222 -10.6222 -10.3651 -10.3651 -7.9654 -7.9654 -7.6100 -7.6100 -7.0119 -7.0119 1.9087 1.9087 1.9781 1.9781 3.8341 3.8341 4.3895 4.3895 6.5689 6.5689 7.1607 7.1607 7.1840 7.1840 7.2383 7.2383 7.2654 7.2654 7.7556 7.7556 8.0321 8.0321 8.0559 8.0559 11.6144 11.6144 13.4349 13.4349 13.8695 13.8695 14.3506 14.3506 14.9253 14.9289 k = 0.0185 0.0082-0.0000 ( 2993 PWs) bands (ev): -29.8009 -29.8009 -29.7519 -29.7519 -11.7905 -11.7905 -11.0250 -11.0250 -10.9282 -10.9282 -10.6737 -10.6737 -10.6725 -10.6725 -10.6221 -10.6221 -10.3624 -10.3624 -7.9654 -7.9654 -7.6103 -7.6103 -7.0127 -7.0127 1.9088 1.9088 1.9782 1.9782 3.8344 3.8344 4.3911 4.3911 6.5691 6.5691 7.1579 7.1579 7.1813 7.1813 7.2413 7.2413 7.2685 7.2685 7.7528 7.7528 8.0313 8.0313 8.0551 8.0551 11.6169 11.6169 13.4365 13.4365 13.8599 13.8599 14.3606 14.3606 14.9308 14.9334 k = 0.0370 0.0163-0.0000 ( 2989 PWs) bands (ev): -29.8008 -29.8008 -29.7520 -29.7520 -11.7915 -11.7915 -11.0278 -11.0278 -10.9263 -10.9263 -10.6774 -10.6774 -10.6729 -10.6729 -10.6216 -10.6216 -10.3542 -10.3542 -7.9654 -7.9654 -7.6114 -7.6114 -7.0150 -7.0150 1.9089 1.9089 1.9783 1.9783 3.8351 3.8351 4.3960 4.3960 6.5696 6.5696 7.1509 7.1509 7.1742 7.1742 7.2495 7.2495 7.2766 7.2766 7.7445 7.7445 8.0289 8.0289 8.0527 8.0527 11.6244 11.6244 13.4414 13.4414 13.8333 13.8333 14.3884 14.3884 14.9338 14.9384 k = 0.0556 0.0245-0.0000 ( 2989 PWs) bands (ev): -29.8007 -29.8007 -29.7522 -29.7522 -11.7933 -11.7933 -11.0321 -11.0321 -10.9235 -10.9235 -10.6832 -10.6832 -10.6737 -10.6737 -10.6209 -10.6209 -10.3411 -10.3411 -7.9654 -7.9654 -7.6132 -7.6132 -7.0188 -7.0188 1.9092 1.9092 1.9786 1.9786 3.8363 3.8363 4.4040 4.4040 6.5703 6.5703 7.1412 7.1412 7.1645 7.1645 7.2610 7.2610 7.2881 7.2881 7.7309 7.7309 8.0249 8.0249 8.0488 8.0488 11.6366 11.6366 13.4493 13.4493 13.7943 13.7943 14.4293 14.4293 14.9440 14.9469 k = 0.0741 0.0326-0.0000 ( 2989 PWs) bands (ev): -29.8004 -29.8004 -29.7524 -29.7524 -11.7958 -11.7958 -11.0377 -11.0377 -10.9199 -10.9199 -10.6904 -10.6904 -10.6746 -10.6746 -10.6199 -10.6199 -10.3237 -10.3237 -7.9654 -7.9654 -7.6156 -7.6156 -7.0240 -7.0240 1.9096 1.9096 1.9790 1.9790 3.8381 3.8381 4.4150 4.4150 6.5714 6.5714 7.1304 7.1304 7.1535 7.1535 7.2744 7.2744 7.3016 7.3016 7.7121 7.7121 8.0193 8.0193 8.0433 8.0433 11.6533 11.6533 13.4603 13.4603 13.7477 13.7477 14.4788 14.4788 14.9585 14.9588 k = 0.0926 0.0408-0.0000 ( 2997 PWs) bands (ev): -29.8001 -29.8001 -29.7527 -29.7527 -11.7989 -11.7989 -11.0443 -11.0443 -10.9159 -10.9159 -10.6986 -10.6986 -10.6758 -10.6758 -10.6187 -10.6187 -10.3029 -10.3029 -7.9654 -7.9654 -7.6188 -7.6188 -7.0306 -7.0306 1.9100 1.9100 1.9795 1.9795 3.8403 3.8403 4.4290 4.4290 6.5727 6.5727 7.1191 7.1191 7.1420 7.1420 7.2889 7.2889 7.3163 7.3163 7.6884 7.6884 8.0122 8.0122 8.0364 8.0364 11.6739 11.6739 13.4744 13.4744 13.6965 13.6965 14.5334 14.5334 14.9770 14.9797 k = 0.1111 0.0489-0.0000 ( 3005 PWs) bands (ev): -29.7998 -29.7998 -29.7531 -29.7531 -11.8026 -11.8026 -11.0515 -11.0515 -10.9116 -10.9116 -10.7073 -10.7073 -10.6772 -10.6772 -10.6174 -10.6174 -10.2791 -10.2791 -7.9654 -7.9654 -7.6226 -7.6226 -7.0385 -7.0385 1.9106 1.9106 1.9801 1.9801 3.8431 3.8431 4.4457 4.4457 6.5743 6.5743 7.1079 7.1079 7.1305 7.1305 7.3042 7.3042 7.3317 7.3317 7.6603 7.6603 8.0037 8.0037 8.0281 8.0281 11.6980 11.6980 13.4916 13.4916 13.6429 13.6429 14.5912 14.5912 14.9994 15.0028 k = 0.1296 0.0571-0.0000 ( 3005 PWs) bands (ev): -29.7993 -29.7993 -29.7535 -29.7535 -11.8068 -11.8068 -11.0591 -11.0591 -10.9072 -10.9072 -10.7160 -10.7160 -10.6787 -10.6787 -10.6159 -10.6159 -10.2530 -10.2530 -7.9654 -7.9654 -7.6271 -7.6271 -7.0476 -7.0476 1.9112 1.9112 1.9807 1.9807 3.8465 3.8465 4.4650 4.4650 6.5762 6.5762 7.0968 7.0968 7.1191 7.1191 7.3199 7.3199 7.3476 7.3476 7.6281 7.6281 7.9939 7.9939 8.0184 8.0184 11.7249 11.7249 13.5117 13.5117 13.5885 13.5885 14.6505 14.6505 15.0255 15.0275 k = 0.1481 0.0653-0.0000 ( 2997 PWs) bands (ev): -29.7989 -29.7989 -29.7540 -29.7540 -11.8115 -11.8115 -11.0669 -11.0669 -10.9028 -10.9028 -10.7246 -10.7246 -10.6803 -10.6803 -10.6143 -10.6143 -10.2251 -10.2251 -7.9654 -7.9654 -7.6322 -7.6322 -7.0578 -7.0578 1.9119 1.9119 1.9815 1.9815 3.8504 3.8504 4.4866 4.4866 6.5782 6.5782 7.0861 7.0861 7.1081 7.1081 7.3359 7.3359 7.3638 7.3638 7.5924 7.5924 7.9828 7.9828 8.0076 8.0076 11.7541 11.7541 13.5340 13.5340 13.5346 13.5346 14.7103 14.7103 15.0553 15.0582 k = 0.1667 0.0734-0.0000 ( 2989 PWs) bands (ev): -29.7983 -29.7983 -29.7545 -29.7545 -11.8167 -11.8167 -11.0747 -11.0747 -10.8983 -10.8983 -10.7329 -10.7329 -10.6819 -10.6819 -10.6126 -10.6126 -10.1959 -10.1959 -7.9654 -7.9654 -7.6379 -7.6379 -7.0688 -7.0688 1.9127 1.9127 1.9823 1.9823 3.8548 3.8548 4.5104 4.5104 6.5805 6.5805 7.0758 7.0758 7.0975 7.0975 7.3522 7.3522 7.3802 7.3802 7.5536 7.5536 7.9706 7.9706 7.9956 7.9956 11.7846 11.7846 13.4803 13.4803 13.5603 13.5603 14.7701 14.7701 15.0890 15.0919 k = 0.1852 0.0816-0.0000 ( 2981 PWs) bands (ev): -29.7977 -29.7977 -29.7551 -29.7551 -11.8223 -11.8223 -11.0823 -11.0823 -10.8940 -10.8940 -10.7408 -10.7408 -10.6835 -10.6835 -10.6109 -10.6109 -10.1657 -10.1657 -7.9654 -7.9654 -7.6442 -7.6442 -7.0807 -7.0807 1.9136 1.9136 1.9832 1.9832 3.8596 3.8596 4.5361 4.5361 6.5829 6.5829 7.0661 7.0661 7.0875 7.0875 7.3685 7.3685 7.3967 7.3967 7.5122 7.5122 7.9574 7.9574 7.9826 7.9826 11.8160 11.8160 13.4277 13.4277 13.5885 13.5885 14.8290 14.8290 15.1262 15.1311 k = 0.2037 0.0897-0.0000 ( 2989 PWs) bands (ev): -29.7971 -29.7971 -29.7558 -29.7558 -11.8281 -11.8281 -11.0899 -11.0899 -10.8899 -10.8899 -10.7482 -10.7482 -10.6852 -10.6852 -10.6092 -10.6092 -10.1349 -10.1349 -7.9654 -7.9654 -7.6509 -7.6509 -7.0932 -7.0932 1.9145 1.9145 1.9841 1.9841 3.8650 3.8650 4.5634 4.5634 6.5855 6.5855 7.0568 7.0568 7.0780 7.0780 7.3847 7.3847 7.4133 7.4133 7.4690 7.4690 7.9432 7.9432 7.9687 7.9687 11.8473 11.8473 13.3767 13.3767 13.6192 13.6192 14.8866 14.8866 15.1653 15.1663 k = 0.2222 0.0979-0.0000 ( 2977 PWs) bands (ev): -29.7964 -29.7964 -29.7565 -29.7565 -11.8341 -11.8341 -11.0970 -11.0970 -10.8859 -10.8859 -10.7551 -10.7551 -10.6868 -10.6868 -10.6075 -10.6075 -10.1039 -10.1039 -7.9654 -7.9654 -7.6581 -7.6581 -7.1061 -7.1061 1.9154 1.9154 1.9851 1.9851 3.8707 3.8707 4.5920 4.5920 6.5881 6.5881 7.0482 7.0482 7.0690 7.0690 7.3998 7.3998 7.4254 7.4254 7.4298 7.4298 7.9283 7.9283 7.9540 7.9540 11.8780 11.8780 13.3276 13.3276 13.6523 13.6523 14.9427 14.9427 15.1813 15.1813 k = 0.2407 0.1060-0.0000 ( 2981 PWs) bands (ev): -29.7957 -29.7957 -29.7572 -29.7572 -11.8403 -11.8403 -11.1038 -11.1038 -10.8821 -10.8821 -10.7615 -10.7615 -10.6884 -10.6884 -10.6059 -10.6059 -10.0729 -10.0729 -7.9655 -7.9655 -7.6657 -7.6657 -7.1192 -7.1192 1.9163 1.9163 1.9861 1.9861 3.8767 3.8767 4.6216 4.6216 6.5908 6.5908 7.0402 7.0402 7.0607 7.0607 7.3764 7.3764 7.4194 7.4194 7.4463 7.4463 7.9127 7.9127 7.9387 7.9387 11.9076 11.9076 13.2807 13.2807 13.6873 13.6873 14.9967 14.9967 15.1389 15.1389 k = 0.2593 0.1142-0.0000 ( 2992 PWs) bands (ev): -29.7949 -29.7949 -29.7580 -29.7580 -11.8465 -11.8465 -11.1102 -11.1102 -10.8785 -10.8785 -10.7674 -10.7674 -10.6900 -10.6900 -10.6043 -10.6043 -10.0424 -10.0424 -7.9655 -7.9655 -7.6736 -7.6736 -7.1324 -7.1324 1.9172 1.9172 1.9870 1.9870 3.8829 3.8829 4.6519 4.6519 6.5936 6.5936 7.0328 7.0328 7.0530 7.0530 7.3307 7.3307 7.4351 7.4351 7.4627 7.4627 7.8965 7.8965 7.9228 7.9228 11.9353 11.9353 13.2361 13.2361 13.7242 13.7242 15.0484 15.0484 15.0997 15.0997 k = 0.2778 0.1223-0.0000 ( 2992 PWs) bands (ev): -29.7941 -29.7941 -29.7587 -29.7587 -11.8526 -11.8526 -11.1161 -11.1161 -10.8751 -10.8751 -10.7728 -10.7728 -10.6915 -10.6915 -10.6028 -10.6028 -10.0124 -10.0124 -7.9655 -7.9655 -7.6817 -7.6817 -7.1455 -7.1455 1.9182 1.9182 1.9880 1.9880 3.8893 3.8893 4.6825 4.6825 6.5963 6.5963 7.0260 7.0260 7.0459 7.0459 7.2847 7.2847 7.4512 7.4512 7.4790 7.4790 7.8799 7.8799 7.9065 7.9065 11.9610 11.9610 13.1942 13.1942 13.7627 13.7627 15.0640 15.0640 15.0975 15.0975 k = 0.2963 0.1305-0.0000 ( 2992 PWs) bands (ev): -29.7933 -29.7933 -29.7596 -29.7596 -11.8586 -11.8586 -11.1216 -11.1216 -10.8719 -10.8719 -10.7778 -10.7778 -10.6930 -10.6930 -10.6014 -10.6014 -9.9833 -9.9833 -7.9655 -7.9655 -7.6900 -7.6900 -7.1583 -7.1583 1.9191 1.9191 1.9890 1.9890 3.8957 3.8957 4.7130 4.7130 6.5990 6.5990 7.0198 7.0198 7.0394 7.0394 7.2394 7.2394 7.4673 7.4673 7.4951 7.4951 7.8629 7.8629 7.8899 7.8899 11.9841 11.9841 13.1549 13.1549 13.8024 13.8024 15.0313 15.0313 15.1437 15.1437 k = 0.3148 0.1387-0.0000 ( 2992 PWs) bands (ev): -29.7925 -29.7925 -29.7604 -29.7604 -11.8643 -11.8643 -11.1265 -11.1265 -10.8688 -10.8688 -10.7823 -10.7823 -10.6943 -10.6943 -10.6001 -10.6001 -9.9556 -9.9556 -7.9655 -7.9655 -7.6982 -7.6982 -7.1706 -7.1706 1.9200 1.9200 1.9899 1.9899 3.9020 3.9020 4.7431 4.7431 6.6015 6.6015 7.0142 7.0142 7.0336 7.0336 7.1952 7.1952 7.4833 7.4833 7.5110 7.5110 7.8459 7.8459 7.8732 7.8732 12.0046 12.0046 13.1186 13.1186 13.8429 13.8429 15.0012 15.0012 15.1868 15.1868 k = 0.3333 0.1468-0.0000 ( 2984 PWs) bands (ev): -29.7917 -29.7917 -29.7612 -29.7612 -11.8697 -11.8697 -11.1310 -11.1310 -10.8659 -10.8659 -10.7864 -10.7864 -10.6955 -10.6955 -10.5987 -10.5987 -9.9294 -9.9294 -7.9655 -7.9655 -7.7064 -7.7064 -7.1823 -7.1823 1.9208 1.9208 1.9908 1.9908 3.9081 3.9081 4.7723 4.7723 6.6040 6.6040 7.0091 7.0091 7.0284 7.0284 7.1530 7.1530 7.4991 7.4991 7.5266 7.5266 7.8287 7.8287 7.8564 7.8564 12.0224 12.0224 13.0854 13.0854 13.8838 13.8838 14.9733 14.9733 15.2265 15.2265 k = 0.3519 0.1550-0.0000 ( 2984 PWs) bands (ev): -29.7909 -29.7909 -29.7620 -29.7620 -11.8748 -11.8748 -11.1349 -11.1349 -10.8633 -10.8633 -10.7901 -10.7901 -10.6966 -10.6966 -10.5976 -10.5976 -9.9050 -9.9050 -7.9656 -7.9656 -7.7142 -7.7142 -7.1931 -7.1931 1.9216 1.9216 1.9916 1.9916 3.9140 3.9140 4.8003 4.8003 6.6063 6.6063 7.0047 7.0047 7.0238 7.0238 7.1131 7.1131 7.5146 7.5146 7.5420 7.5420 7.8116 7.8116 7.8398 7.8398 12.0375 12.0375 13.0553 13.0553 13.9246 13.9246 14.9471 14.9471 15.2626 15.2626 k = 0.3704 0.1631-0.0000 ( 2984 PWs) bands (ev): -29.7901 -29.7901 -29.7628 -29.7628 -11.8794 -11.8794 -11.1384 -11.1384 -10.8609 -10.8609 -10.7933 -10.7933 -10.6976 -10.6976 -10.5966 -10.5966 -9.8827 -9.8827 -7.9656 -7.9656 -7.7217 -7.7217 -7.2030 -7.2030 1.9223 1.9223 1.9924 1.9924 3.9194 3.9194 4.8264 4.8264 6.6084 6.6084 7.0007 7.0007 7.0198 7.0198 7.0763 7.0763 7.5299 7.5299 7.5571 7.5571 7.7948 7.7948 7.8234 7.8234 12.0500 12.0500 13.0286 13.0286 13.9644 13.9644 14.9221 14.9221 15.2949 15.2957 k = 0.3889 0.1713-0.0000 ( 2980 PWs) bands (ev): -29.7894 -29.7894 -29.7635 -29.7635 -11.8835 -11.8835 -11.1414 -11.1414 -10.8588 -10.8588 -10.7962 -10.7962 -10.6985 -10.6985 -10.5957 -10.5957 -9.8628 -9.8628 -7.9656 -7.9656 -7.7286 -7.7286 -7.2119 -7.2119 1.9230 1.9230 1.9930 1.9930 3.9244 3.9244 4.8503 4.8503 6.6103 6.6103 6.9971 6.9971 7.0163 7.0163 7.0431 7.0431 7.5449 7.5449 7.5717 7.5717 7.7784 7.7784 7.8075 7.8075 12.0602 12.0602 13.0052 13.0052 14.0027 14.0027 14.8986 14.8986 15.3231 15.3234 k = 0.4074 0.1794-0.0000 ( 2992 PWs) bands (ev): -29.7887 -29.7887 -29.7642 -29.7642 -11.8872 -11.8872 -11.1439 -11.1439 -10.8569 -10.8569 -10.7987 -10.7987 -10.6992 -10.6992 -10.5950 -10.5950 -9.8455 -9.8455 -7.9656 -7.9656 -7.7347 -7.7347 -7.2195 -7.2195 1.9235 1.9235 1.9936 1.9936 3.9288 3.9288 4.8715 4.8715 6.6120 6.6120 6.9933 6.9933 7.0134 7.0134 7.0148 7.0148 7.5593 7.5593 7.5856 7.5856 7.7625 7.7625 7.7922 7.7922 12.0682 12.0682 12.9852 12.9852 14.0384 14.0384 14.8765 14.8765 15.3470 15.3472 k = 0.4259 0.1876-0.0000 ( 2992 PWs) bands (ev): -29.7881 -29.7881 -29.7648 -29.7648 -11.8902 -11.8902 -11.1459 -11.1459 -10.8553 -10.8553 -10.8008 -10.8008 -10.6999 -10.6999 -10.5944 -10.5944 -9.8310 -9.8310 -7.9656 -7.9656 -7.7400 -7.7400 -7.2259 -7.2259 1.9240 1.9240 1.9941 1.9941 3.9324 3.9324 4.8896 4.8896 6.6133 6.6133 6.9839 6.9839 6.9971 6.9971 7.0111 7.0111 7.5729 7.5729 7.5987 7.5987 7.7476 7.7476 7.7780 7.7780 12.0743 12.0743 12.9688 12.9688 14.0703 14.0703 14.8564 14.8564 15.3672 15.3758 k = 0.4444 0.1958-0.0000 ( 2992 PWs) bands (ev): -29.7877 -29.7877 -29.7653 -29.7653 -11.8925 -11.8925 -11.1475 -11.1475 -10.8541 -10.8541 -10.8024 -10.8024 -10.7004 -10.7004 -10.5939 -10.5939 -9.8195 -9.8195 -7.9656 -7.9656 -7.7442 -7.7442 -7.2309 -7.2309 1.9244 1.9244 1.9945 1.9945 3.9354 3.9354 4.9041 4.9041 6.6144 6.6144 6.9666 6.9666 6.9928 6.9928 7.0093 7.0093 7.5853 7.5853 7.6105 7.6105 7.7342 7.7342 7.7653 7.7653 12.0788 12.0788 12.9560 12.9560 14.0972 14.0972 14.8391 14.8391 15.3822 15.3835 k = 0.4630 0.2039-0.0000 ( 2992 PWs) bands (ev): -29.7873 -29.7873 -29.7657 -29.7657 -11.8943 -11.8943 -11.1486 -11.1486 -10.8531 -10.8531 -10.8036 -10.8036 -10.7007 -10.7007 -10.5935 -10.5935 -9.8112 -9.8112 -7.9656 -7.9656 -7.7474 -7.7474 -7.2346 -7.2346 1.9247 1.9247 1.9948 1.9948 3.9375 3.9375 4.9147 4.9147 6.6152 6.6152 6.9526 6.9526 6.9911 6.9911 7.0080 7.0080 7.5957 7.5957 7.6202 7.6202 7.7230 7.7230 7.7548 7.7548 12.0818 12.0818 12.9468 12.9468 14.1178 14.1178 14.8256 14.8256 15.3933 15.3942 k = 0.4815 0.2121-0.0000 ( 2992 PWs) bands (ev): -29.7870 -29.7870 -29.7659 -29.7659 -11.8953 -11.8953 -11.1492 -11.1492 -10.8526 -10.8526 -10.8043 -10.8043 -10.7009 -10.7009 -10.5933 -10.5933 -9.8061 -9.8061 -7.9656 -7.9656 -7.7493 -7.7493 -7.2368 -7.2368 1.9248 1.9248 1.9950 1.9950 3.9388 3.9388 4.9212 4.9212 6.6157 6.6157 6.9440 6.9440 6.9902 6.9902 7.0072 7.0072 7.6028 7.6028 7.6268 7.6268 7.7153 7.7153 7.7478 7.7478 12.0835 12.0835 12.9413 12.9413 14.1308 14.1308 14.8169 14.8169 15.4001 15.4013 k = 0.5000 0.2202-0.0000 ( 2992 PWs) bands (ev): -29.7870 -29.7870 -29.7660 -29.7660 -11.8957 -11.8957 -11.1495 -11.1495 -10.8524 -10.8524 -10.8045 -10.8045 -10.7010 -10.7010 -10.5932 -10.5932 -9.8044 -9.8044 -7.9656 -7.9656 -7.7499 -7.7499 -7.2375 -7.2375 1.9249 1.9249 1.9950 1.9950 3.9393 3.9393 4.9234 4.9234 6.6159 6.6159 6.9411 6.9411 6.9899 6.9899 7.0070 7.0070 7.6055 7.6055 7.6292 7.6292 7.7125 7.7125 7.7453 7.7453 12.0841 12.0841 12.9394 12.9394 14.1352 14.1352 14.8139 14.8139 15.4023 15.4051 k = 0.5000 0.2202-0.0000 ( 2992 PWs) bands (ev): -29.7870 -29.7870 -29.7660 -29.7660 -11.8957 -11.8957 -11.1495 -11.1495 -10.8524 -10.8524 -10.8045 -10.8045 -10.7010 -10.7010 -10.5932 -10.5932 -9.8044 -9.8044 -7.9656 -7.9656 -7.7499 -7.7499 -7.2375 -7.2375 1.9249 1.9249 1.9950 1.9950 3.9393 3.9393 4.9234 4.9234 6.6159 6.6159 6.9411 6.9411 6.9899 6.9899 7.0070 7.0070 7.6055 7.6055 7.6292 7.6292 7.7125 7.7125 7.7453 7.7453 12.0841 12.0841 12.9394 12.9394 14.1352 14.1352 14.8139 14.8139 15.4021 15.4039 k = 0.4942 0.2334 0.0144 ( 2988 PWs) bands (ev): -29.7869 -29.7869 -29.7660 -29.7660 -11.8954 -11.8954 -11.1495 -11.1495 -10.8525 -10.8525 -10.8046 -10.8046 -10.7010 -10.7010 -10.5934 -10.5934 -9.8041 -9.8041 -7.9665 -7.9665 -7.7494 -7.7494 -7.2375 -7.2375 1.9244 1.9244 1.9945 1.9945 3.9397 3.9397 4.9254 4.9254 6.6137 6.6137 6.9374 6.9374 6.9890 6.9890 7.0061 7.0061 7.6071 7.6071 7.6314 7.6314 7.7118 7.7118 7.7445 7.7445 12.0860 12.0860 12.9419 12.9419 14.1371 14.1371 14.8156 14.8156 15.4028 15.4039 k = 0.4884 0.2465 0.0287 ( 2984 PWs) bands (ev): -29.7869 -29.7869 -29.7660 -29.7660 -11.8947 -11.8947 -11.1497 -11.1497 -10.8531 -10.8531 -10.8047 -10.8047 -10.7012 -10.7012 -10.5938 -10.5938 -9.8033 -9.8033 -7.9690 -7.9690 -7.7477 -7.7477 -7.2374 -7.2374 1.9228 1.9228 1.9931 1.9931 3.9408 3.9408 4.9314 4.9314 6.6068 6.6068 6.9271 6.9271 6.9861 6.9861 7.0035 7.0035 7.6088 7.6088 7.6407 7.6407 7.7094 7.7094 7.7421 7.7421 12.0916 12.0916 12.9492 12.9492 14.1426 14.1426 14.8206 14.8206 15.4032 15.4050 k = 0.4826 0.2597 0.0431 ( 2974 PWs) bands (ev): -29.7867 -29.7867 -29.7659 -29.7659 -11.8935 -11.8935 -11.1500 -11.1500 -10.8539 -10.8539 -10.8049 -10.8049 -10.7015 -10.7015 -10.5946 -10.5946 -9.8019 -9.8019 -7.9733 -7.9733 -7.7450 -7.7450 -7.2372 -7.2372 1.9195 1.9195 1.9913 1.9913 3.9427 3.9427 4.9411 4.9411 6.5945 6.5945 6.9121 6.9121 6.9811 6.9811 6.9994 6.9994 7.6070 7.6070 7.6595 7.6595 7.7055 7.7055 7.7384 7.7384 12.1010 12.1010 12.9613 12.9613 14.1518 14.1518 14.8289 14.8289 15.4045 15.4051 k = 0.4768 0.2728 0.0574 ( 2976 PWs) bands (ev): -29.7865 -29.7865 -29.7659 -29.7659 -11.8919 -11.8919 -11.1505 -11.1505 -10.8552 -10.8552 -10.8053 -10.8053 -10.7020 -10.7020 -10.5957 -10.5957 -9.7999 -9.7999 -7.9793 -7.9793 -7.7412 -7.7412 -7.2369 -7.2369 1.9138 1.9138 1.9901 1.9901 3.9454 3.9454 4.9546 4.9546 6.5757 6.5757 6.8952 6.8952 6.9738 6.9738 6.9941 6.9941 7.6021 7.6021 7.6850 7.6850 7.7004 7.7004 7.7333 7.7333 12.1142 12.1142 12.9781 12.9781 14.1646 14.1646 14.8404 14.8404 15.4061 15.4063 k = 0.4711 0.2859 0.0718 ( 2980 PWs) bands (ev): -29.7863 -29.7863 -29.7658 -29.7658 -11.8899 -11.8899 -11.1511 -11.1511 -10.8568 -10.8568 -10.8059 -10.8059 -10.7025 -10.7025 -10.5970 -10.5970 -9.7974 -9.7974 -7.9870 -7.9870 -7.7364 -7.7364 -7.2366 -7.2366 1.9052 1.9052 1.9902 1.9902 3.9489 3.9489 4.9714 4.9714 6.5496 6.5496 6.8790 6.8790 6.9638 6.9638 6.9879 6.9879 7.5951 7.5951 7.6914 7.6914 7.7171 7.7171 7.7275 7.7275 12.1310 12.1310 12.9997 12.9997 14.1809 14.1809 14.8550 14.8550 15.4081 15.4083 k = 0.4653 0.2991 0.0862 ( 2984 PWs) bands (ev): -29.7860 -29.7860 -29.7658 -29.7658 -11.8874 -11.8874 -11.1519 -11.1519 -10.8587 -10.8587 -10.8065 -10.8065 -10.7031 -10.7031 -10.5987 -10.5987 -9.7943 -9.7943 -7.9964 -7.9964 -7.7306 -7.7306 -7.2362 -7.2362 1.8933 1.8933 1.9922 1.9922 3.9531 3.9531 4.9913 4.9913 6.5156 6.5156 6.8657 6.8657 6.9513 6.9513 6.9809 6.9809 7.5862 7.5862 7.6824 7.6824 7.7202 7.7202 7.7511 7.7511 12.1517 12.1517 13.0259 13.0259 14.2006 14.2006 14.8726 14.8726 15.4108 15.4109 k = 0.4595 0.3122 0.1005 ( 2990 PWs) bands (ev): -29.7856 -29.7856 -29.7657 -29.7657 -11.8844 -11.8844 -11.1529 -11.1529 -10.8610 -10.8610 -10.8074 -10.8074 -10.7038 -10.7038 -10.6005 -10.6005 -9.7907 -9.7907 -8.0075 -8.0075 -7.7238 -7.7238 -7.2357 -7.2357 1.8782 1.8782 1.9959 1.9959 3.9580 3.9580 5.0139 5.0139 6.4739 6.4739 6.8562 6.8562 6.9363 6.9363 6.9731 6.9731 7.5757 7.5757 7.6714 7.6714 7.7127 7.7127 7.7865 7.7865 12.1760 12.1760 13.0566 13.0566 14.2236 14.2236 14.8931 14.8931 15.4143 15.4143 k = 0.4537 0.3254 0.1149 ( 2990 PWs) bands (ev): -29.7852 -29.7852 -29.7656 -29.7656 -11.8811 -11.8811 -11.1540 -11.1540 -10.8634 -10.8634 -10.8085 -10.8085 -10.7044 -10.7044 -10.6025 -10.6025 -9.7865 -9.7865 -8.0202 -8.0202 -7.7160 -7.7160 -7.2350 -7.2350 1.8604 1.8604 2.0015 2.0015 3.9637 3.9637 5.0389 5.0389 6.4255 6.4255 6.8506 6.8506 6.9190 6.9190 6.9644 6.9644 7.5637 7.5637 7.6589 7.6589 7.7046 7.7046 7.8226 7.8226 12.2041 12.2041 13.0918 13.0918 14.2497 14.2497 14.9163 14.9163 15.4189 15.4189 k = 0.4479 0.3385 0.1292 ( 2990 PWs) bands (ev): -29.7848 -29.7848 -29.7655 -29.7655 -11.8774 -11.8774 -11.1554 -11.1554 -10.8661 -10.8661 -10.8099 -10.8099 -10.7050 -10.7050 -10.6047 -10.6047 -9.7817 -9.7817 -8.0346 -8.0346 -7.7074 -7.7074 -7.2343 -7.2343 1.8402 1.8402 2.0085 2.0085 3.9702 3.9702 5.0659 5.0659 6.3716 6.3716 6.8487 6.8487 6.8994 6.8994 6.9547 6.9547 7.5502 7.5502 7.6451 7.6451 7.6959 7.6959 7.8585 7.8585 12.2359 12.2359 13.1312 13.1312 14.2788 14.2788 14.9420 14.9420 15.4246 15.4247 k = 0.4421 0.3516 0.1436 ( 2994 PWs) bands (ev): -29.7843 -29.7843 -29.7654 -29.7654 -11.8733 -11.8733 -11.1569 -11.1569 -10.8690 -10.8690 -10.8115 -10.8115 -10.7056 -10.7056 -10.6069 -10.6069 -9.7763 -9.7763 -8.0506 -8.0506 -7.6980 -7.6980 -7.2334 -7.2334 1.8182 1.8182 2.0169 2.0169 3.9774 3.9774 5.0943 5.0943 6.3132 6.3132 6.8498 6.8498 6.8778 6.8778 6.9442 6.9442 7.5355 7.5355 7.6303 7.6303 7.6868 7.6868 7.8937 7.8937 12.2713 12.2713 13.1748 13.1748 14.3106 14.3106 14.9699 14.9699 15.4317 15.4317 k = 0.4363 0.3648 0.1580 ( 2986 PWs) bands (ev): -29.7837 -29.7837 -29.7653 -29.7653 -11.8688 -11.8688 -11.1587 -11.1587 -10.8720 -10.8720 -10.8134 -10.8134 -10.7061 -10.7061 -10.6092 -10.6092 -9.7704 -9.7704 -8.0682 -8.0682 -7.6878 -7.6878 -7.2324 -7.2324 1.7946 1.7946 2.0265 2.0265 3.9854 3.9854 5.1239 5.1239 6.2514 6.2514 6.8523 6.8523 6.8554 6.8554 6.9326 6.9326 7.5195 7.5195 7.6148 7.6148 7.6772 7.6772 7.9278 7.9278 12.3104 12.3104 13.2225 13.2225 14.3450 14.3450 14.9998 14.9998 15.4404 15.4404 k = 0.4305 0.3779 0.1723 ( 2990 PWs) bands (ev): -29.7832 -29.7832 -29.7652 -29.7652 -11.8640 -11.8640 -11.1607 -11.1607 -10.8752 -10.8752 -10.8157 -10.8157 -10.7065 -10.7065 -10.6115 -10.6115 -9.7638 -9.7638 -8.0873 -8.0873 -7.6768 -7.6768 -7.2312 -7.2312 1.7699 1.7699 2.0372 2.0372 3.9941 3.9941 5.1541 5.1541 6.1872 6.1872 6.8287 6.8287 6.8593 6.8593 6.9202 6.9202 7.5024 7.5024 7.5989 7.5989 7.6671 7.6671 7.9604 7.9604 12.3532 12.3532 13.2741 13.2741 14.3818 14.3818 15.0315 15.0315 15.4505 15.4505 k = 0.4247 0.3911 0.1867 ( 2990 PWs) bands (ev): -29.7825 -29.7825 -29.7651 -29.7651 -11.8589 -11.8589 -11.1630 -11.1630 -10.8785 -10.8785 -10.8182 -10.8182 -10.7068 -10.7068 -10.6138 -10.6138 -9.7566 -9.7566 -8.1080 -8.1080 -7.6653 -7.6653 -7.2299 -7.2299 1.7443 1.7443 2.0489 2.0489 4.0035 4.0035 5.1847 5.1847 6.1211 6.1211 6.8016 6.8016 6.8666 6.8666 6.9068 6.9068 7.4843 7.4843 7.5829 7.5829 7.6567 7.6567 7.9912 7.9912 12.3996 12.3996 13.3294 13.3294 14.4206 14.4206 15.0645 15.0645 15.4623 15.4623 k = 0.4190 0.4042 0.2010 ( 2990 PWs) bands (ev): -29.7819 -29.7819 -29.7650 -29.7650 -11.8535 -11.8535 -11.1657 -11.1657 -10.8817 -10.8817 -10.8211 -10.8211 -10.7069 -10.7069 -10.6161 -10.6161 -9.7488 -9.7488 -8.1302 -8.1302 -7.6531 -7.6531 -7.2284 -7.2284 1.7180 1.7180 2.0614 2.0614 4.0136 4.0136 5.2151 5.2151 6.0538 6.0538 6.7731 6.7731 6.8752 6.8752 6.8927 6.8927 7.4653 7.4653 7.5670 7.5670 7.6459 7.6459 8.0202 8.0202 12.4496 12.4496 13.3882 13.3882 14.4612 14.4612 15.0985 15.0985 15.4759 15.4759 k = 0.4132 0.4174 0.2154 ( 2990 PWs) bands (ev): -29.7812 -29.7812 -29.7649 -29.7649 -11.8478 -11.8478 -11.1686 -11.1686 -10.8850 -10.8850 -10.8243 -10.8243 -10.7069 -10.7069 -10.6183 -10.6183 -9.7404 -9.7404 -8.1538 -8.1538 -7.6405 -7.6405 -7.2268 -7.2268 1.6914 1.6914 2.0747 2.0747 4.0245 4.0245 5.2451 5.2451 5.9856 5.9856 6.7431 6.7431 6.8758 6.8758 6.8871 6.8871 7.4455 7.4455 7.5515 7.5515 7.6349 7.6349 8.0470 8.0470 12.5030 12.5030 13.4504 13.4504 14.5034 14.5034 15.1333 15.1333 15.4912 15.4912 k = 0.4074 0.4305 0.2298 ( 2984 PWs) bands (ev): -29.7804 -29.7804 -29.7648 -29.7648 -11.8419 -11.8419 -11.1718 -11.1718 -10.8883 -10.8883 -10.8278 -10.8278 -10.7067 -10.7067 -10.6204 -10.6204 -9.7313 -9.7313 -8.1787 -8.1787 -7.6274 -7.6274 -7.2250 -7.2250 1.6646 1.6646 2.0888 2.0888 4.0360 4.0360 5.2744 5.2744 5.9171 5.9171 6.7120 6.7120 6.8604 6.8604 6.8977 6.8977 7.4251 7.4251 7.5366 7.5366 7.6236 7.6236 8.0717 8.0717 12.5599 12.5599 13.5158 13.5158 14.5469 14.5469 15.1683 15.1683 15.5082 15.5082 k = 0.4016 0.4436 0.2441 ( 2984 PWs) bands (ev): -29.7796 -29.7796 -29.7647 -29.7647 -11.8357 -11.8357 -11.1754 -11.1754 -10.8914 -10.8914 -10.8317 -10.8317 -10.7063 -10.7063 -10.6224 -10.6224 -9.7216 -9.7216 -8.2051 -8.2051 -7.6139 -7.6139 -7.2230 -7.2230 1.6379 1.6379 2.1035 2.1035 4.0482 4.0482 5.3026 5.3026 5.8484 5.8484 6.6799 6.6799 6.8435 6.8435 6.9098 6.9098 7.4040 7.4040 7.5224 7.5224 7.6121 7.6121 8.0942 8.0942 12.6202 12.6202 13.5842 13.5842 14.5913 14.5913 15.2032 15.2032 15.5268 15.5268 k = 0.3958 0.4568 0.2585 ( 2984 PWs) bands (ev): -29.7788 -29.7788 -29.7646 -29.7646 -11.8294 -11.8294 -11.1793 -11.1793 -10.8945 -10.8945 -10.8358 -10.8358 -10.7058 -10.7058 -10.6243 -10.6243 -9.7112 -9.7112 -8.2326 -8.2326 -7.6001 -7.6001 -7.2208 -7.2208 1.6113 1.6113 2.1188 2.1188 4.0611 4.0611 5.3297 5.3297 5.7800 5.7800 6.6469 6.6469 6.8260 6.8260 6.9229 6.9229 7.3825 7.3825 7.5090 7.5090 7.6005 7.6005 8.1145 8.1145 12.6837 12.6837 13.6553 13.6553 14.6363 14.6363 15.2377 15.2377 15.5470 15.5470 k = 0.3900 0.4699 0.2728 ( 2982 PWs) bands (ev): -29.7780 -29.7780 -29.7645 -29.7645 -11.8228 -11.8228 -11.1835 -11.1835 -10.8975 -10.8975 -10.8401 -10.8401 -10.7052 -10.7052 -10.6261 -10.6261 -9.7000 -9.7000 -8.2614 -8.2614 -7.5861 -7.5861 -7.2185 -7.2185 1.5851 1.5851 2.1347 2.1347 4.0746 4.0746 5.3553 5.3553 5.7119 5.7119 6.6131 6.6131 6.8078 6.8078 6.9367 6.9367 7.3607 7.3607 7.4965 7.4965 7.5889 7.5889 8.1325 8.1325 12.7503 12.7503 13.7290 13.7290 14.6817 14.6817 15.2713 15.2713 15.5687 15.5687 k = 0.3842 0.4831 0.2872 ( 2986 PWs) bands (ev): -29.7772 -29.7772 -29.7645 -29.7645 -11.8162 -11.8162 -11.1881 -11.1881 -10.9004 -10.9004 -10.8445 -10.8445 -10.7044 -10.7044 -10.6277 -10.6277 -9.6882 -9.6882 -8.2913 -8.2913 -7.5720 -7.5720 -7.2160 -7.2160 1.5593 1.5593 2.1509 2.1509 4.0888 4.0888 5.3793 5.3793 5.6446 5.6446 6.5789 6.5789 6.7891 6.7891 6.9513 6.9513 7.3386 7.3386 7.4849 7.4849 7.5773 7.5773 8.1482 8.1482 12.8200 12.8200 13.8051 13.8051 14.7271 14.7271 15.3038 15.3038 15.5918 15.5918 k = 0.3784 0.4962 0.3016 ( 2988 PWs) bands (ev): -29.7763 -29.7763 -29.7644 -29.7644 -11.8093 -11.8093 -11.1931 -11.1931 -10.9032 -10.9032 -10.8491 -10.8491 -10.7036 -10.7036 -10.6292 -10.6292 -9.6756 -9.6756 -8.3223 -8.3223 -7.5578 -7.5578 -7.2134 -7.2134 1.5340 1.5340 2.1676 2.1676 4.1035 4.1035 5.4016 5.4016 5.5782 5.5782 6.5444 6.5444 6.7701 6.7701 6.9664 6.9664 7.3163 7.3163 7.4741 7.4741 7.5659 7.5659 8.1618 8.1618 12.8924 12.8924 13.8833 13.8833 14.7722 14.7722 15.3351 15.3351 15.6160 15.6160 k = 0.3727 0.5094 0.3159 ( 2988 PWs) bands (ev): -29.7754 -29.7754 -29.7644 -29.7644 -11.8023 -11.8023 -11.1983 -11.1983 -10.9059 -10.9059 -10.8538 -10.8538 -10.7026 -10.7026 -10.6305 -10.6305 -9.6623 -9.6623 -8.3543 -8.3543 -7.5435 -7.5435 -7.2105 -7.2105 1.5094 1.5094 2.1844 2.1844 4.1187 4.1187 5.4222 5.4222 5.5130 5.5130 6.5097 6.5097 6.7509 6.7509 6.9820 6.9820 7.2941 7.2941 7.4641 7.4641 7.5546 7.5546 8.1732 8.1732 12.9674 12.9674 13.9633 13.9633 14.8166 14.8166 15.3649 15.3649 15.6412 15.6412 k = 0.3669 0.5225 0.3303 ( 2988 PWs) bands (ev): -29.7745 -29.7745 -29.7644 -29.7644 -11.7952 -11.7952 -11.2038 -11.2038 -10.9087 -10.9087 -10.8583 -10.8583 -10.7015 -10.7015 -10.6318 -10.6318 -9.6481 -9.6481 -8.3872 -8.3872 -7.5293 -7.5293 -7.2075 -7.2075 1.4855 1.4855 2.2015 2.2015 4.1345 4.1345 5.4375 5.4375 5.4526 5.4526 6.4750 6.4750 6.7318 6.7318 6.9981 6.9981 7.2719 7.2719 7.4547 7.4547 7.5435 7.5435 8.1824 8.1824 13.0447 13.0447 14.0449 14.0449 14.8600 14.8600 15.3932 15.3932 15.6672 15.6672 k = 0.3611 0.5356 0.3446 ( 2996 PWs) bands (ev): -29.7736 -29.7736 -29.7643 -29.7643 -11.7880 -11.7880 -11.2095 -11.2095 -10.9116 -10.9116 -10.8627 -10.8627 -10.7004 -10.7004 -10.6329 -10.6329 -9.6332 -9.6332 -8.4209 -8.4209 -7.5152 -7.5152 -7.2044 -7.2044 1.4624 1.4624 2.2187 2.2187 4.1507 4.1507 5.3849 5.3849 5.4600 5.4600 6.4406 6.4406 6.7128 6.7128 7.0146 7.0146 7.2498 7.2498 7.4458 7.4458 7.5327 7.5327 8.1896 8.1896 13.1242 13.1242 14.1278 14.1278 14.9022 14.9022 15.4203 15.4203 15.6937 15.6937 k = 0.3553 0.5488 0.3590 ( 2990 PWs) bands (ev): -29.7726 -29.7726 -29.7644 -29.7644 -11.7806 -11.7806 -11.2155 -11.2155 -10.9147 -10.9147 -10.8668 -10.8668 -10.6993 -10.6993 -10.6338 -10.6338 -9.6174 -9.6174 -8.4553 -8.4553 -7.5013 -7.5013 -7.2011 -7.2011 1.4400 1.4400 2.2358 2.2358 4.1673 4.1673 5.3241 5.3241 5.4757 5.4757 6.4065 6.4065 6.6941 6.6941 7.0315 7.0315 7.2280 7.2280 7.4371 7.4371 7.5223 7.5223 8.1949 8.1949 13.2054 13.2054 14.2116 14.2116 14.9426 14.9426 15.4462 15.4462 15.7208 15.7208 k = 0.3495 0.5619 0.3734 ( 2994 PWs) bands (ev): -29.7717 -29.7717 -29.7644 -29.7644 -11.7731 -11.7731 -11.2217 -11.2217 -10.9182 -10.9182 -10.8704 -10.8704 -10.6981 -10.6981 -10.6346 -10.6346 -9.6009 -9.6009 -8.4904 -8.4904 -7.4876 -7.4876 -7.1977 -7.1977 1.4185 1.4185 2.2529 2.2529 4.1842 4.1842 5.2649 5.2649 5.4902 5.4902 6.3731 6.3731 6.6759 6.6759 7.0486 7.0486 7.2066 7.2066 7.4286 7.4286 7.5123 7.5123 8.1983 8.1983 13.2881 13.2881 14.2960 14.2960 14.9810 14.9810 15.4713 15.4713 15.7481 15.7481 k = 0.3437 0.5751 0.3877 ( 3002 PWs) bands (ev): -29.7708 -29.7708 -29.7645 -29.7645 -11.7656 -11.7656 -11.2280 -11.2280 -10.9223 -10.9223 -10.8734 -10.8734 -10.6970 -10.6970 -10.6352 -10.6352 -9.5835 -9.5835 -8.5260 -8.5260 -7.4743 -7.4743 -7.1941 -7.1941 1.3979 1.3979 2.2697 2.2697 4.2013 4.2013 5.2076 5.2076 5.5034 5.5034 6.3404 6.3404 6.6585 6.6585 7.0659 7.0659 7.1856 7.1856 7.4200 7.4200 7.5028 7.5028 8.1998 8.1998 13.3719 13.3719 14.3806 14.3806 15.0170 15.0170 15.4955 15.4955 15.7755 15.7755 k = 0.3379 0.5882 0.4021 ( 2998 PWs) bands (ev): -29.7698 -29.7698 -29.7646 -29.7646 -11.7579 -11.7579 -11.2343 -11.2343 -10.9270 -10.9270 -10.8758 -10.8758 -10.6960 -10.6960 -10.6357 -10.6357 -9.5653 -9.5653 -8.5621 -8.5621 -7.4613 -7.4613 -7.1904 -7.1904 1.3781 1.3781 2.2862 2.2862 4.2184 4.2184 5.1526 5.1526 5.5156 5.5156 6.3087 6.3087 6.6418 6.6418 7.0834 7.0834 7.1652 7.1652 7.4111 7.4111 7.4939 7.4939 8.1997 8.1997 13.4564 13.4564 14.4651 14.4651 15.0503 15.0503 15.5193 15.5193 15.8029 15.8029 k = 0.3321 0.6013 0.4165 ( 3006 PWs) bands (ev): -29.7689 -29.7689 -29.7647 -29.7647 -11.7501 -11.7501 -11.2408 -11.2408 -10.9324 -10.9324 -10.8774 -10.8774 -10.6950 -10.6950 -10.6361 -10.6361 -9.5462 -9.5462 -8.5985 -8.5985 -7.4487 -7.4487 -7.1865 -7.1865 1.3592 1.3592 2.3023 2.3023 4.2354 4.2354 5.1001 5.1001 5.5269 5.5269 6.2782 6.2782 6.6262 6.6262 7.1010 7.1010 7.1453 7.1453 7.4017 7.4017 7.4856 7.4856 8.1980 8.1980 13.5412 13.5412 14.5489 14.5489 15.0805 15.0805 15.5429 15.5429 15.8302 15.8302 k = 0.3263 0.6145 0.4308 ( 3002 PWs) bands (ev): -29.7680 -29.7680 -29.7648 -29.7648 -11.7421 -11.7421 -11.2472 -11.2472 -10.9386 -10.9386 -10.8783 -10.8783 -10.6941 -10.6941 -10.6363 -10.6363 -9.5263 -9.5263 -8.6352 -8.6352 -7.4366 -7.4366 -7.1826 -7.1826 1.3412 1.3412 2.3179 2.3179 4.2520 4.2520 5.0503 5.0503 5.5374 5.5374 6.2490 6.2490 6.6117 6.6117 7.1185 7.1185 7.1261 7.1261 7.3915 7.3915 7.4779 7.4779 8.1948 8.1948 13.6259 13.6259 14.6317 14.6317 15.1072 15.1072 15.5663 15.5663 15.8572 15.8572 k = 0.3206 0.6276 0.4452 ( 3002 PWs) bands (ev): -29.7670 -29.7670 -29.7650 -29.7650 -11.7340 -11.7340 -11.2536 -11.2536 -10.9454 -10.9454 -10.8785 -10.8785 -10.6933 -10.6933 -10.6364 -10.6364 -9.5057 -9.5057 -8.6720 -8.6720 -7.4250 -7.4250 -7.1785 -7.1785 1.3241 1.3241 2.3328 2.3328 4.2680 4.2680 5.0038 5.0038 5.5473 5.5473 6.2212 6.2212 6.5984 6.5984 7.1075 7.1075 7.1363 7.1363 7.3805 7.3805 7.4710 7.4710 8.1902 8.1902 13.7099 13.7099 14.7129 14.7129 15.1301 15.1301 15.5897 15.5897 15.8839 15.8839 k = 0.3148 0.6408 0.4595 ( 3004 PWs) bands (ev): -29.7661 -29.7661 -29.7652 -29.7652 -11.7257 -11.7257 -11.2599 -11.2599 -10.9528 -10.9528 -10.8782 -10.8782 -10.6927 -10.6927 -10.6363 -10.6363 -9.4843 -9.4843 -8.7087 -8.7087 -7.4140 -7.4140 -7.1743 -7.1743 1.3078 1.3078 2.3471 2.3471 4.2829 4.2829 4.9607 4.9607 5.5569 5.5569 6.1952 6.1952 6.5864 6.5864 7.0898 7.0898 7.1539 7.1539 7.3683 7.3683 7.4648 7.4648 8.1844 8.1844 13.7930 13.7930 14.7920 14.7920 15.1489 15.1489 15.6130 15.6130 15.9102 15.9105 k = 0.3090 0.6539 0.4739 ( 3002 PWs) bands (ev): -29.7655 -29.7655 -29.7652 -29.7652 -11.7172 -11.7172 -11.2661 -11.2661 -10.9608 -10.9608 -10.8775 -10.8775 -10.6923 -10.6923 -10.6360 -10.6360 -9.4622 -9.4622 -8.7454 -8.7454 -7.4036 -7.4036 -7.1700 -7.1700 1.2925 1.2925 2.3604 2.3604 4.2963 4.2963 4.9218 4.9218 5.5664 5.5664 6.1710 6.1710 6.5759 6.5759 7.0730 7.0730 7.1714 7.1714 7.3550 7.3550 7.4595 7.4595 8.1774 8.1774 13.8747 13.8747 14.8683 14.8683 15.1634 15.1634 15.6361 15.6361 15.9360 15.9361 k = 0.3032 0.6671 0.4883 ( 2994 PWs) bands (ev): -29.7658 -29.7658 -29.7643 -29.7643 -11.7085 -11.7085 -11.2722 -11.2722 -10.9693 -10.9693 -10.8763 -10.8763 -10.6920 -10.6920 -10.6356 -10.6356 -9.4396 -9.4396 -8.7816 -8.7816 -7.3938 -7.3938 -7.1657 -7.1657 1.2780 1.2780 2.3728 2.3728 4.3076 4.3076 4.8876 4.8876 5.5759 5.5759 6.1488 6.1488 6.5670 6.5670 7.0570 7.0570 7.1887 7.1887 7.3402 7.3402 7.4550 7.4550 8.1694 8.1694 13.9544 13.9544 14.9413 14.9413 15.1733 15.1733 15.6590 15.6590 15.9613 15.9677 k = 0.2974 0.6802 0.5026 ( 2992 PWs) bands (ev): -29.7661 -29.7661 -29.7634 -29.7634 -11.6996 -11.6996 -11.2781 -11.2781 -10.9783 -10.9783 -10.8747 -10.8747 -10.6919 -10.6919 -10.6351 -10.6351 -9.4166 -9.4166 -8.8174 -8.8174 -7.3847 -7.3847 -7.1612 -7.1612 1.2644 1.2644 2.3842 2.3842 4.3162 4.3162 4.8588 4.8588 5.5856 5.5856 6.1287 6.1287 6.5596 6.5596 7.0420 7.0420 7.2058 7.2058 7.3240 7.3240 7.4515 7.4515 8.1606 8.1606 14.0319 14.0319 15.0103 15.0103 15.1786 15.1786 15.6813 15.6813 15.9866 15.9901 k = 0.2916 0.6933 0.5170 ( 2988 PWs) bands (ev): -29.7664 -29.7664 -29.7626 -29.7626 -11.6905 -11.6905 -11.2838 -11.2838 -10.9876 -10.9876 -10.8729 -10.8729 -10.6920 -10.6920 -10.6343 -10.6343 -9.3935 -9.3935 -8.8522 -8.8522 -7.3764 -7.3764 -7.1567 -7.1567 1.2516 1.2516 2.3944 2.3944 4.3214 4.3214 4.8361 4.8361 5.5957 5.5957 6.1109 6.1109 6.5538 6.5538 7.0280 7.0280 7.2226 7.2226 7.3062 7.3062 7.4489 7.4489 8.1510 8.1510 14.1066 14.1066 15.0745 15.0745 15.1790 15.1790 15.7029 15.7029 15.9714 15.9729 k = 0.2858 0.7065 0.5313 ( 2984 PWs) bands (ev): -29.7668 -29.7668 -29.7618 -29.7618 -11.6811 -11.6811 -11.2894 -11.2894 -10.9973 -10.9973 -10.8709 -10.8709 -10.6923 -10.6923 -10.6335 -10.6335 -9.3706 -9.3706 -8.8859 -8.8859 -7.3688 -7.3688 -7.1521 -7.1521 1.2398 1.2398 2.4034 2.4034 4.3227 4.3227 4.8200 4.8200 5.6063 5.6063 6.0955 6.0955 6.5497 6.5497 7.0151 7.0151 7.2390 7.2390 7.2867 7.2867 7.4473 7.4473 8.1407 8.1407 14.1782 14.1782 15.1333 15.1333 15.1746 15.1746 15.7234 15.7234 15.9500 15.9505 k = 0.2800 0.7196 0.5457 ( 2984 PWs) bands (ev): -29.7672 -29.7672 -29.7610 -29.7610 -11.6714 -11.6714 -11.2948 -11.2948 -11.0074 -11.0074 -10.8687 -10.8687 -10.6927 -10.6927 -10.6326 -10.6326 -9.3484 -9.3484 -8.9177 -8.9177 -7.3619 -7.3619 -7.1475 -7.1475 1.2288 1.2288 2.4111 2.4111 4.3195 4.3195 4.8110 4.8110 5.6175 5.6175 6.0826 6.0826 6.5474 6.5474 7.0031 7.0031 7.2549 7.2549 7.2656 7.2656 7.4467 7.4467 8.1299 8.1299 14.2463 14.2463 15.1655 15.1655 15.1859 15.1859 15.7425 15.7425 15.9283 15.9284 k = 0.2742 0.7328 0.5601 ( 2980 PWs) bands (ev): -29.7677 -29.7677 -29.7602 -29.7602 -11.6614 -11.6614 -11.3001 -11.3001 -11.0176 -11.0176 -10.8664 -10.8664 -10.6934 -10.6934 -10.6315 -10.6315 -9.3277 -9.3277 -8.9470 -8.9470 -7.3559 -7.3559 -7.1428 -7.1428 1.2187 1.2187 2.4175 2.4175 4.3121 4.3121 4.8090 4.8090 5.6296 5.6296 6.0723 6.0723 6.5468 6.5468 6.9923 6.9923 7.2424 7.2424 7.2706 7.2706 7.4471 7.4471 8.1188 8.1188 14.3106 14.3106 15.1516 15.1516 15.2317 15.2317 15.7599 15.7599 15.9056 15.9056 k = 0.2742 0.7328 0.5601 ( 2980 PWs) bands (ev): -29.7677 -29.7677 -29.7602 -29.7602 -11.6614 -11.6614 -11.3001 -11.3001 -11.0176 -11.0176 -10.8664 -10.8664 -10.6934 -10.6934 -10.6315 -10.6315 -9.3277 -9.3277 -8.9470 -8.9470 -7.3559 -7.3559 -7.1428 -7.1428 1.2187 1.2187 2.4175 2.4175 4.3121 4.3121 4.8090 4.8090 5.6296 5.6296 6.0723 6.0723 6.5468 6.5468 6.9923 6.9923 7.2424 7.2424 7.2706 7.2706 7.4471 7.4471 8.1188 8.1188 14.3106 14.3106 15.1516 15.1516 15.2317 15.2317 15.7599 15.7599 15.9056 15.9056 k = 0.2547 0.7288 0.5644 ( 2986 PWs) bands (ev): -29.7679 -29.7679 -29.7599 -29.7599 -11.6580 -11.6580 -11.3026 -11.3026 -11.0198 -11.0198 -10.8659 -10.8659 -10.6935 -10.6935 -10.6315 -10.6315 -9.3222 -9.3222 -8.9551 -8.9551 -7.3541 -7.3541 -7.1414 -7.1414 1.2157 1.2157 2.4191 2.4191 4.3091 4.3091 4.8087 4.8087 5.6350 5.6350 6.0697 6.0697 6.5474 6.5474 6.9894 6.9894 7.2302 7.2302 7.2791 7.2791 7.4474 7.4474 8.1152 8.1152 14.3306 14.3306 15.1445 15.1445 15.2455 15.2455 15.7652 15.7652 15.8980 15.8980 k = 0.2351 0.7249 0.5686 ( 2982 PWs) bands (ev): -29.7681 -29.7681 -29.7596 -29.7596 -11.6536 -11.6536 -11.3071 -11.3071 -11.0202 -11.0202 -10.8659 -10.8659 -10.6933 -10.6933 -10.6320 -10.6320 -9.3171 -9.3171 -8.9627 -8.9627 -7.3520 -7.3520 -7.1399 -7.1399 1.2126 1.2126 2.4205 2.4205 4.3059 4.3059 4.8070 4.8070 5.6437 5.6437 6.0675 6.0675 6.5490 6.5490 6.9866 6.9866 7.2136 7.2136 7.2898 7.2898 7.4477 7.4477 8.1113 8.1113 14.3532 14.3532 15.1342 15.1342 15.2608 15.2608 15.7715 15.7715 15.8894 15.8894 k = 0.2155 0.7210 0.5729 ( 2988 PWs) bands (ev): -29.7683 -29.7683 -29.7593 -29.7593 -11.6485 -11.6485 -11.3134 -11.3134 -11.0188 -11.0188 -10.8664 -10.8664 -10.6930 -10.6930 -10.6330 -10.6330 -9.3124 -9.3124 -8.9700 -8.9700 -7.3498 -7.3498 -7.1384 -7.1384 1.2095 1.2095 2.4218 2.4218 4.3028 4.3028 4.8038 4.8038 5.6554 5.6554 6.0654 6.0654 6.5515 6.5515 6.9842 6.9842 7.1952 7.1952 7.3001 7.3001 7.4481 7.4481 8.1072 8.1072 14.3780 14.3780 15.1217 15.1217 15.2763 15.2763 15.7787 15.7787 15.8803 15.8803 k = 0.1959 0.7170 0.5772 ( 2989 PWs) bands (ev): -29.7686 -29.7686 -29.7590 -29.7590 -11.6426 -11.6426 -11.3213 -11.3213 -11.0159 -11.0159 -10.8672 -10.8672 -10.6924 -10.6924 -10.6345 -10.6345 -9.3083 -9.3083 -8.9769 -8.9769 -7.3475 -7.3475 -7.1370 -7.1370 1.2063 1.2063 2.4230 2.4230 4.2999 4.2999 4.7991 4.7991 5.6695 5.6695 6.0636 6.0636 6.5548 6.5548 6.9821 6.9821 7.1760 7.1760 7.3096 7.3096 7.4483 7.4483 8.1031 8.1031 14.4049 14.4049 15.1076 15.1076 15.2916 15.2916 15.7868 15.7868 15.8711 15.8711 k = 0.1763 0.7131 0.5815 ( 2994 PWs) bands (ev): -29.7688 -29.7688 -29.7587 -29.7587 -11.6362 -11.6362 -11.3304 -11.3304 -11.0115 -11.0115 -10.8686 -10.8686 -10.6915 -10.6915 -10.6365 -10.6365 -9.3045 -9.3045 -8.9832 -8.9832 -7.3451 -7.3451 -7.1356 -7.1356 1.2033 1.2033 2.4240 2.4240 4.2974 4.2974 4.7932 4.7932 5.6854 5.6854 6.0619 6.0619 6.5588 6.5588 6.9802 6.9802 7.1563 7.1563 7.3180 7.3180 7.4486 7.4486 8.0991 8.0991 14.4334 14.4334 15.0923 15.0923 15.3067 15.3067 15.7951 15.7951 15.8621 15.8621 k = 0.1567 0.7092 0.5858 ( 2993 PWs) bands (ev): -29.7691 -29.7691 -29.7584 -29.7584 -11.6292 -11.6292 -11.3406 -11.3406 -11.0062 -11.0062 -10.8703 -10.8703 -10.6905 -10.6905 -10.6388 -10.6388 -9.3012 -9.3012 -8.9890 -8.9890 -7.3427 -7.3427 -7.1344 -7.1344 1.2003 1.2003 2.4249 2.4249 4.2952 4.2952 4.7864 4.7864 5.7024 5.7024 6.0604 6.0604 6.5634 6.5634 6.9787 6.9787 7.1365 7.1365 7.3255 7.3255 7.4487 7.4487 8.0952 8.0952 14.4631 14.4631 15.0760 15.0760 15.3214 15.3214 15.8030 15.8030 15.8535 15.8535 k = 0.1371 0.7052 0.5901 ( 2997 PWs) bands (ev): -29.7693 -29.7693 -29.7582 -29.7582 -11.6218 -11.6218 -11.3512 -11.3512 -11.0001 -11.0001 -10.8724 -10.8724 -10.6892 -10.6892 -10.6415 -10.6415 -9.2983 -9.2983 -8.9943 -8.9943 -7.3404 -7.3404 -7.1332 -7.1332 1.1976 1.1976 2.4257 2.4257 4.2934 4.2934 4.7792 4.7792 5.7199 5.7199 6.0592 6.0592 6.5685 6.5685 6.9774 6.9774 7.1170 7.1170 7.3319 7.3319 7.4488 7.4488 8.0916 8.0916 14.4934 14.4934 15.0590 15.0590 15.3358 15.3358 15.8093 15.8093 15.8457 15.8457 k = 0.1175 0.7013 0.5944 ( 2996 PWs) bands (ev): -29.7695 -29.7695 -29.7579 -29.7579 -11.6144 -11.6144 -11.3620 -11.3620 -10.9936 -10.9936 -10.8747 -10.8747 -10.6876 -10.6876 -10.6444 -10.6444 -9.2958 -9.2958 -8.9989 -8.9989 -7.3382 -7.3382 -7.1322 -7.1322 1.1951 1.1951 2.4263 2.4263 4.2920 4.2920 4.7719 4.7719 5.7369 5.7369 6.0581 6.0581 6.5738 6.5738 6.9764 6.9764 7.0983 7.0983 7.3374 7.3374 7.4489 7.4489 8.0883 8.0883 14.5235 14.5235 15.0416 15.0416 15.3497 15.3497 15.8126 15.8126 15.8388 15.8388 k = 0.0979 0.6974 0.5987 ( 2994 PWs) bands (ev): -29.7697 -29.7697 -29.7577 -29.7577 -11.6070 -11.6070 -11.3725 -11.3725 -10.9872 -10.9872 -10.8773 -10.8773 -10.6860 -10.6860 -10.6473 -10.6473 -9.2937 -9.2937 -9.0029 -9.0029 -7.3362 -7.3362 -7.1314 -7.1314 1.1929 1.1929 2.4269 2.4269 4.2909 4.2909 4.7649 4.7649 5.7528 5.7528 6.0571 6.0571 6.5790 6.5790 6.9756 6.9756 7.0810 7.0810 7.3420 7.3420 7.4489 7.4489 8.0854 8.0854 14.5526 14.5526 15.0243 15.0243 15.3630 15.3630 15.8120 15.8120 15.8330 15.8330 k = 0.0784 0.6934 0.6030 ( 2992 PWs) bands (ev): -29.7698 -29.7698 -29.7575 -29.7575 -11.6001 -11.6001 -11.3822 -11.3822 -10.9810 -10.9810 -10.8799 -10.8799 -10.6841 -10.6841 -10.6503 -10.6503 -9.2920 -9.2920 -9.0063 -9.0063 -7.3345 -7.3345 -7.1307 -7.1307 1.1911 1.1911 2.4273 2.4273 4.2902 4.2902 4.7586 4.7586 5.7669 5.7669 6.0564 6.0564 6.5840 6.5840 6.9750 6.9750 7.0656 7.0656 7.3457 7.3457 7.4489 7.4489 8.0829 8.0829 14.5797 14.5797 15.0076 15.0076 15.3754 15.3754 15.8076 15.8076 15.8281 15.8281 k = 0.0588 0.6895 0.6073 ( 2992 PWs) bands (ev): -29.7699 -29.7699 -29.7574 -29.7574 -11.5939 -11.5939 -11.3905 -11.3905 -10.9756 -10.9756 -10.8824 -10.8824 -10.6823 -10.6823 -10.6531 -10.6531 -9.2906 -9.2906 -9.0089 -9.0089 -7.3331 -7.3331 -7.1301 -7.1301 1.1896 1.1896 2.4276 2.4276 4.2897 4.2897 4.7534 4.7534 5.7786 5.7786 6.0558 6.0558 6.5884 6.5884 6.9746 6.9746 7.0528 7.0528 7.3485 7.3485 7.4488 7.4488 8.0810 8.0810 14.6034 14.6034 14.9926 14.9926 15.3862 15.3862 15.8009 15.8009 15.8240 15.8240 k = 0.0392 0.6856 0.6116 ( 2998 PWs) bands (ev): -29.7700 -29.7700 -29.7573 -29.7573 -11.5891 -11.5891 -11.3971 -11.3971 -10.9713 -10.9713 -10.8846 -10.8846 -10.6807 -10.6807 -10.6556 -10.6556 -9.2897 -9.2897 -9.0108 -9.0108 -7.3321 -7.3321 -7.1297 -7.1297 1.1885 1.1885 2.4279 2.4279 4.2894 4.2894 4.7495 4.7495 5.7873 5.7873 6.0553 6.0553 6.5919 6.5919 6.9742 6.9742 7.0432 7.0432 7.3505 7.3505 7.4488 7.4488 8.0796 8.0796 14.6222 14.6222 14.9803 14.9803 15.3948 15.3948 15.7936 15.7936 15.8209 15.8209 k = 0.0196 0.6816 0.6159 ( 2989 PWs) bands (ev): -29.7701 -29.7701 -29.7572 -29.7572 -11.5860 -11.5860 -11.4012 -11.4012 -10.9685 -10.9685 -10.8860 -10.8860 -10.6795 -10.6795 -10.6572 -10.6572 -9.2891 -9.2891 -9.0119 -9.0119 -7.3314 -7.3314 -7.1295 -7.1295 1.1879 1.1879 2.4280 2.4280 4.2892 4.2892 4.7470 4.7470 5.7927 5.7927 6.0551 6.0551 6.5941 6.5941 6.9740 6.9740 7.0372 7.0372 7.3517 7.3517 7.4487 7.4487 8.0787 8.0787 14.6344 14.6344 14.9721 14.9721 15.4005 15.4005 15.7882 15.7882 15.8190 15.8190 k = 0.0000 0.6777 0.6202 ( 2994 PWs) bands (ev): -29.7701 -29.7701 -29.7572 -29.7572 -11.5849 -11.5849 -11.4026 -11.4026 -10.9676 -10.9676 -10.8865 -10.8865 -10.6790 -10.6790 -10.6579 -10.6579 -9.2889 -9.2889 -9.0123 -9.0123 -7.3312 -7.3312 -7.1294 -7.1294 1.1877 1.1877 2.4281 2.4281 4.2891 4.2891 4.7462 4.7462 5.7945 5.7945 6.0550 6.0550 6.5948 6.5948 6.9740 6.9740 7.0351 7.0351 7.3521 7.3521 7.4487 7.4487 8.0784 8.0784 14.6387 14.6387 14.9692 14.9692 15.4024 15.4024 15.7861 15.7861 15.8183 15.8183 k = 0.0000 0.6777 0.6202 ( 2994 PWs) bands (ev): -29.7701 -29.7701 -29.7572 -29.7572 -11.5849 -11.5849 -11.4026 -11.4026 -10.9676 -10.9676 -10.8865 -10.8865 -10.6790 -10.6790 -10.6579 -10.6579 -9.2889 -9.2889 -9.0123 -9.0123 -7.3312 -7.3312 -7.1294 -7.1294 1.1877 1.1877 2.4281 2.4281 4.2891 4.2891 4.7462 4.7462 5.7945 5.7945 6.0550 6.0550 6.5948 6.5948 6.9740 6.9740 7.0351 7.0351 7.3521 7.3521 7.4487 7.4487 8.0784 8.0784 14.6387 14.6387 14.9692 14.9692 15.4024 15.4024 15.7861 15.7861 15.8183 15.8183 k = 0.0058 0.6645 0.6346 ( 2996 PWs) bands (ev): -29.7701 -29.7701 -29.7572 -29.7572 -11.5846 -11.5846 -11.4024 -11.4024 -10.9678 -10.9678 -10.8864 -10.8864 -10.6796 -10.6796 -10.6578 -10.6578 -9.2886 -9.2886 -9.0122 -9.0122 -7.3315 -7.3315 -7.1302 -7.1302 1.1733 1.1733 2.4440 2.4440 4.2897 4.2897 4.7470 4.7470 5.7777 5.7777 6.0715 6.0715 6.5954 6.5954 6.9707 6.9707 7.0351 7.0351 7.3559 7.3559 7.4480 7.4480 8.0787 8.0787 14.6393 14.6393 14.9688 14.9688 15.4003 15.4003 15.7858 15.7858 15.8219 15.8219 k = 0.0116 0.6513 0.6491 ( 2992 PWs) bands (ev): -29.7700 -29.7700 -29.7572 -29.7572 -11.5834 -11.5834 -11.4016 -11.4016 -10.9683 -10.9683 -10.8862 -10.8862 -10.6810 -10.6810 -10.6575 -10.6575 -9.2877 -9.2877 -9.0116 -9.0116 -7.3325 -7.3325 -7.1325 -7.1325 1.1323 1.1323 2.4899 2.4899 4.2912 4.2912 4.7494 4.7494 5.7363 5.7363 6.1120 6.1120 6.5971 6.5971 6.9615 6.9615 7.0352 7.0352 7.3666 7.3666 7.4457 7.4457 8.0794 8.0794 14.6413 14.6413 14.9675 14.9675 15.3944 15.3944 15.7848 15.7848 15.8324 15.8324 k = 0.0174 0.6381 0.6635 ( 2994 PWs) bands (ev): -29.7699 -29.7699 -29.7571 -29.7571 -11.5815 -11.5815 -11.4005 -11.4005 -10.9692 -10.9692 -10.8859 -10.8859 -10.6833 -10.6833 -10.6572 -10.6572 -9.2862 -9.2862 -9.0108 -9.0108 -7.3340 -7.3340 -7.1363 -7.1363 1.0697 1.0697 2.5606 2.5606 4.2938 4.2938 4.7535 4.7535 5.6828 5.6828 6.1634 6.1634 6.6003 6.6003 6.9476 6.9476 7.0354 7.0354 7.3831 7.3831 7.4421 7.4421 8.0806 8.0806 14.6446 14.6446 14.9653 14.9653 15.3853 15.3853 15.7828 15.7828 15.8493 15.8493 k = 0.0233 0.6249 0.6779 ( 2996 PWs) bands (ev): -29.7698 -29.7698 -29.7570 -29.7570 -11.5789 -11.5789 -11.3988 -11.3988 -10.9704 -10.9704 -10.8855 -10.8855 -10.6863 -10.6863 -10.6571 -10.6571 -9.2840 -9.2840 -9.0096 -9.0096 -7.3362 -7.3362 -7.1417 -7.1417 0.9912 0.9912 2.6502 2.6502 4.2974 4.2974 4.7591 4.7591 5.6241 5.6241 6.2183 6.2183 6.6051 6.6051 6.9306 6.9306 7.0358 7.0358 7.4036 7.4036 7.4377 7.4377 8.0822 8.0822 14.6490 14.6490 14.9620 14.9620 15.3743 15.3743 15.7802 15.7802 15.8716 15.8716 k = 0.0291 0.6117 0.6923 ( 2990 PWs) bands (ev): -29.7697 -29.7697 -29.7569 -29.7569 -11.5756 -11.5756 -11.3966 -11.3966 -10.9719 -10.9719 -10.8850 -10.8850 -10.6899 -10.6899 -10.6571 -10.6571 -9.2812 -9.2812 -9.0081 -9.0081 -7.3390 -7.3390 -7.1486 -7.1486 0.9020 0.9020 2.7538 2.7538 4.3020 4.3020 4.7663 4.7663 5.5633 5.5633 6.2724 6.2724 6.6122 6.6122 6.9123 6.9123 7.0363 7.0363 7.4206 7.4206 7.4387 7.4387 8.0842 8.0842 14.6542 14.6542 14.9573 14.9573 15.3624 15.3624 15.7773 15.7773 15.8982 15.8982 k = 0.0349 0.5985 0.7068 ( 2988 PWs) bands (ev): -29.7695 -29.7695 -29.7567 -29.7567 -11.5715 -11.5715 -11.3939 -11.3939 -10.9739 -10.9739 -10.8843 -10.8843 -10.6939 -10.6939 -10.6573 -10.6573 -9.2779 -9.2779 -9.0063 -9.0063 -7.3423 -7.3423 -7.1570 -7.1570 0.8057 0.8057 2.8676 2.8676 4.3075 4.3075 4.7750 4.7750 5.5017 5.5017 6.3223 6.3223 6.6225 6.6225 6.8947 6.8947 7.0370 7.0370 7.4179 7.4179 7.4605 7.4605 8.0866 8.0866 14.6601 14.6601 14.9510 14.9510 15.3509 15.3509 15.7744 15.7744 15.9279 15.9279 k = 0.0407 0.5853 0.7212 ( 2986 PWs) bands (ev): -29.7693 -29.7693 -29.7565 -29.7565 -11.5668 -11.5668 -11.3908 -11.3908 -10.9761 -10.9761 -10.8836 -10.8836 -10.6983 -10.6983 -10.6578 -10.6578 -9.2739 -9.2739 -9.0042 -9.0042 -7.3463 -7.3463 -7.1669 -7.1669 0.7050 0.7050 2.9887 2.9887 4.3139 4.3139 4.7851 4.7851 5.4403 5.4403 6.3648 6.3648 6.6370 6.6370 6.8802 6.8802 7.0378 7.0378 7.4092 7.4092 7.4886 7.4886 8.0893 8.0893 14.6661 14.6661 14.9429 14.9429 15.3405 15.3405 15.7723 15.7723 15.9597 15.9597 k = 0.0465 0.5721 0.7356 ( 2992 PWs) bands (ev): -29.7691 -29.7691 -29.7563 -29.7563 -11.5614 -11.5614 -11.3873 -11.3873 -10.9787 -10.9787 -10.8828 -10.8828 -10.7031 -10.7031 -10.6586 -10.6586 -9.2693 -9.2693 -9.0019 -9.0019 -7.3507 -7.3507 -7.1782 -7.1782 0.6019 0.6019 3.1153 3.1153 4.3210 4.3210 4.7967 4.7967 5.3796 5.3796 6.3966 6.3966 6.6558 6.6558 6.8717 6.8717 7.0387 7.0387 7.3986 7.3986 7.5183 7.5183 8.0923 8.0923 14.6719 14.6719 14.9326 14.9326 15.3323 15.3323 15.7713 15.7713 15.9922 15.9922 k = 0.0523 0.5589 0.7500 ( 2988 PWs) bands (ev): -29.7688 -29.7688 -29.7561 -29.7561 -11.5553 -11.5553 -11.3833 -11.3833 -10.9816 -10.9816 -10.8820 -10.8820 -10.7081 -10.7081 -10.6597 -10.6597 -9.2641 -9.2641 -8.9992 -8.9992 -7.3558 -7.3558 -7.1909 -7.1909 0.4977 0.4977 3.2458 3.2458 4.3288 4.3288 4.8097 4.8097 5.3200 5.3200 6.4160 6.4160 6.6765 6.6765 6.8736 6.8736 7.0398 7.0398 7.3868 7.3868 7.5488 7.5488 8.0955 8.0955 14.6771 14.6771 14.9199 14.9199 15.3271 15.3271 15.7721 15.7721 16.0226 16.0226 k = 0.0581 0.5457 0.7645 ( 2992 PWs) bands (ev): -29.7685 -29.7685 -29.7558 -29.7558 -11.5487 -11.5487 -11.3790 -11.3790 -10.9849 -10.9849 -10.8810 -10.8810 -10.7133 -10.7133 -10.6611 -10.6611 -9.2583 -9.2583 -8.9964 -8.9964 -7.3613 -7.3613 -7.2051 -7.2051 0.3934 0.3934 3.3793 3.3793 4.3372 4.3372 4.8239 4.8239 5.2619 5.2619 6.4235 6.4235 6.6942 6.6942 6.8902 6.8902 7.0411 7.0411 7.3738 7.3738 7.5797 7.5797 8.0988 8.0988 14.6812 14.6812 14.9047 14.9047 15.3255 15.3255 15.7753 15.7753 16.0453 16.0494 k = 0.0640 0.5325 0.7789 ( 2994 PWs) bands (ev): -29.7682 -29.7682 -29.7555 -29.7555 -11.5414 -11.5414 -11.3742 -11.3742 -10.9884 -10.9884 -10.8801 -10.8801 -10.7187 -10.7187 -10.6628 -10.6628 -9.2519 -9.2519 -8.9934 -8.9934 -7.3674 -7.3674 -7.2205 -7.2205 0.2896 0.2896 3.5149 3.5149 4.3459 4.3459 4.8393 4.8393 5.2055 5.2055 6.4207 6.4207 6.7058 6.7058 6.9229 6.9229 7.0425 7.0425 7.3599 7.3599 7.6107 7.6107 8.1022 8.1022 14.6836 14.6836 14.8870 14.8870 15.3282 15.3282 15.7811 15.7811 16.0464 16.0466 k = 0.0698 0.5193 0.7933 ( 2994 PWs) bands (ev): -29.7679 -29.7679 -29.7552 -29.7552 -11.5337 -11.5337 -11.3691 -11.3691 -10.9923 -10.9923 -10.8792 -10.8792 -10.7241 -10.7241 -10.6648 -10.6648 -9.2448 -9.2448 -8.9902 -8.9902 -7.3738 -7.3738 -7.2373 -7.2373 0.1870 0.1870 3.6519 3.6519 4.3548 4.3548 4.8559 4.8559 5.1512 5.1512 6.4099 6.4099 6.7123 6.7123 6.9685 6.9685 7.0440 7.0440 7.3452 7.3452 7.6415 7.6415 8.1057 8.1057 14.6839 14.6839 14.8667 14.8667 15.3358 15.3358 15.7901 15.7901 16.0291 16.0291 k = 0.0756 0.5061 0.8077 ( 2992 PWs) bands (ev): -29.7675 -29.7675 -29.7549 -29.7549 -11.5254 -11.5254 -11.3636 -11.3636 -10.9965 -10.9965 -10.8782 -10.8782 -10.7295 -10.7295 -10.6670 -10.6670 -9.2372 -9.2372 -8.9868 -8.9868 -7.3808 -7.3808 -7.2554 -7.2554 0.0860 0.0860 3.7898 3.7898 4.3636 4.3636 4.8735 4.8735 5.0995 5.0995 6.3927 6.3927 6.7164 6.7164 7.0221 7.0221 7.0461 7.0461 7.3297 7.3297 7.6721 7.6721 8.1092 8.1092 14.6820 14.6820 14.8440 14.8440 15.3485 15.3485 15.8022 15.8022 16.0097 16.0097 k = 0.0814 0.4929 0.8221 ( 2986 PWs) bands (ev): -29.7671 -29.7671 -29.7546 -29.7546 -11.5167 -11.5167 -11.3577 -11.3577 -11.0008 -11.0008 -10.8773 -10.8773 -10.7350 -10.7350 -10.6695 -10.6695 -9.2290 -9.2290 -8.9833 -8.9833 -7.3881 -7.3881 -7.2747 -7.2747 -0.0131 -0.0131 3.9281 3.9281 4.3719 4.3719 4.8920 4.8920 5.0506 5.0506 6.3708 6.3708 6.7198 6.7198 7.0469 7.0469 7.0820 7.0820 7.3137 7.3137 7.7023 7.7023 8.1127 8.1127 14.6775 14.6775 14.8192 14.8192 15.3666 15.3666 15.8174 15.8174 15.9884 15.9884 k = 0.0872 0.4797 0.8366 ( 2984 PWs) bands (ev): -29.7668 -29.7668 -29.7542 -29.7542 -11.5076 -11.5076 -11.3516 -11.3516 -11.0055 -11.0055 -10.8763 -10.8763 -10.7404 -10.7404 -10.6721 -10.6721 -9.2202 -9.2202 -8.9797 -8.9797 -7.3958 -7.3958 -7.2951 -7.2951 -0.1101 -0.1101 4.0663 4.0663 4.3794 4.3794 4.9115 4.9115 5.0052 5.0052 6.3452 6.3452 6.7235 6.7235 7.0490 7.0490 7.1434 7.1434 7.2971 7.2971 7.7320 7.7320 8.1162 8.1162 14.6705 14.6705 14.7926 14.7926 15.3901 15.3901 15.8351 15.8351 15.9653 15.9653 k = 0.0930 0.4665 0.8510 ( 2986 PWs) bands (ev): -29.7664 -29.7664 -29.7538 -29.7538 -11.4981 -11.4981 -11.3451 -11.3451 -11.0104 -11.0104 -10.8755 -10.8755 -10.7457 -10.7457 -10.6751 -10.6751 -9.2109 -9.2109 -8.9760 -8.9760 -7.4038 -7.4038 -7.3166 -7.3166 -0.2047 -0.2047 4.2039 4.2039 4.3857 4.3857 4.9316 4.9316 4.9639 4.9639 6.3169 6.3169 6.7277 6.7277 7.0511 7.0511 7.2064 7.2064 7.2800 7.2800 7.7611 7.7611 8.1195 8.1195 14.6610 14.6610 14.7645 14.7645 15.4189 15.4189 15.8535 15.8535 15.9416 15.9416 k = 0.0988 0.4533 0.8654 ( 2980 PWs) bands (ev): -29.7659 -29.7659 -29.7535 -29.7535 -11.4884 -11.4884 -11.3384 -11.3384 -11.0154 -11.0154 -10.8746 -10.8746 -10.7509 -10.7509 -10.6781 -10.6781 -9.2010 -9.2010 -8.9722 -8.9722 -7.4120 -7.4120 -7.3392 -7.3392 -0.2968 -0.2968 4.3387 4.3387 4.3920 4.3920 4.9272 4.9272 4.9525 4.9525 6.2867 6.2867 6.7324 6.7324 7.0534 7.0534 7.2623 7.2623 7.2703 7.2703 7.7897 7.7897 8.1227 8.1227 14.6493 14.6493 14.7352 14.7352 15.4526 15.4526 15.8644 15.8644 15.9253 15.9253 k = 0.1047 0.4401 0.8798 ( 2974 PWs) bands (ev): -29.7655 -29.7655 -29.7531 -29.7531 -11.4785 -11.4785 -11.3315 -11.3315 -11.0205 -11.0205 -10.8738 -10.8738 -10.7559 -10.7559 -10.6814 -10.6814 -9.1905 -9.1905 -8.9684 -8.9684 -7.4206 -7.4206 -7.3627 -7.3627 -0.3861 -0.3861 4.3874 4.3874 4.4802 4.4802 4.8962 4.8962 4.9739 4.9739 6.2549 6.2549 6.7376 6.7376 7.0557 7.0557 7.2449 7.2449 7.3335 7.3335 7.8177 7.8177 8.1258 8.1258 14.6356 14.6356 14.7052 14.7052 15.4910 15.4910 15.8501 15.8501 15.9336 15.9336 k = 0.1105 0.4269 0.8943 ( 2972 PWs) bands (ev): -29.7651 -29.7651 -29.7527 -29.7527 -11.4684 -11.4684 -11.3244 -11.3244 -11.0258 -11.0258 -10.8731 -10.8731 -10.7607 -10.7607 -10.6848 -10.6848 -9.1795 -9.1795 -8.9646 -8.9646 -7.4293 -7.4293 -7.3871 -7.3871 -0.4725 -0.4725 4.3859 4.3859 4.6137 4.6137 4.8713 4.8713 4.9959 4.9959 6.2221 6.2221 6.7430 6.7430 7.0582 7.0582 7.2271 7.2271 7.3965 7.3965 7.8451 7.8451 8.1286 8.1286 14.6201 14.6201 14.6748 14.6748 15.5337 15.5337 15.8183 15.8183 15.9588 15.9588 k = 0.1163 0.4137 0.9087 ( 2978 PWs) bands (ev): -29.7646 -29.7646 -29.7523 -29.7523 -11.4582 -11.4582 -11.3172 -11.3172 -11.0311 -11.0311 -10.8724 -10.8724 -10.7653 -10.7653 -10.6883 -10.6883 -9.1680 -9.1680 -8.9608 -8.9608 -7.4383 -7.4383 -7.4122 -7.4122 -0.5560 -0.5560 4.3793 4.3793 4.7457 4.7457 4.8536 4.8536 5.0184 5.0184 6.1885 6.1885 6.7487 6.7487 7.0609 7.0609 7.2091 7.2091 7.4585 7.4585 7.8719 7.8719 8.1313 8.1313 14.6030 14.6030 14.6442 14.6442 15.5801 15.5801 15.7800 15.7800 15.9899 15.9899 k = 0.1221 0.4005 0.9231 ( 2976 PWs) bands (ev): -29.7642 -29.7642 -29.7519 -29.7519 -11.4481 -11.4481 -11.3097 -11.3097 -11.0363 -11.0363 -10.8717 -10.8717 -10.7697 -10.7697 -10.6920 -10.6920 -9.1560 -9.1560 -8.9571 -8.9571 -7.4474 -7.4474 -7.4379 -7.4379 -0.6364 -0.6364 4.3683 4.3683 4.8398 4.8398 4.8781 4.8781 5.0420 5.0420 6.1543 6.1543 6.7543 6.7543 7.0638 7.0638 7.1910 7.1910 7.5193 7.5193 7.8981 7.8981 8.1337 8.1337 14.5849 14.5849 14.6140 14.6140 15.6294 15.6294 15.7388 15.7388 16.0238 16.0238 k = 0.1279 0.3873 0.9375 ( 2976 PWs) bands (ev): -29.7637 -29.7637 -29.7515 -29.7515 -11.4381 -11.4381 -11.3022 -11.3022 -11.0415 -11.0415 -10.8711 -10.8711 -10.7738 -10.7738 -10.6959 -10.6959 -9.1436 -9.1436 -8.9533 -8.9533 -7.4650 -7.4650 -7.4560 -7.4560 -0.7137 -0.7137 4.3532 4.3532 4.8371 4.8371 4.9993 4.9993 5.0703 5.0703 6.1198 6.1198 6.7599 6.7599 7.0668 7.0668 7.1730 7.1730 7.5786 7.5786 7.9239 7.9239 8.1358 8.1358 14.5657 14.5657 14.5842 14.5842 15.6743 15.6743 15.7025 15.7025 16.0593 16.0593 k = 0.1337 0.3741 0.9520 ( 2980 PWs) bands (ev): -29.7633 -29.7633 -29.7511 -29.7511 -11.4282 -11.4282 -11.2946 -11.2946 -11.0465 -11.0465 -10.8705 -10.8705 -10.7778 -10.7778 -10.6998 -10.6998 -9.1307 -9.1307 -8.9496 -8.9496 -7.4918 -7.4918 -7.4652 -7.4652 -0.7877 -0.7877 4.3344 4.3344 4.8393 4.8393 5.0724 5.0724 5.1454 5.1454 6.0849 6.0849 6.7653 6.7653 7.0701 7.0701 7.1550 7.1550 7.6359 7.6359 7.9492 7.9492 8.1377 8.1377 14.5458 14.5458 14.5553 14.5553 15.6451 15.6451 15.7412 15.7412 16.0932 16.0940 k = 0.1395 0.3609 0.9664 ( 2980 PWs) bands (ev): -29.7628 -29.7628 -29.7507 -29.7507 -11.4186 -11.4186 -11.2870 -11.2870 -11.0513 -11.0513 -10.8699 -10.8699 -10.7814 -10.7814 -10.7038 -10.7038 -9.1175 -9.1175 -8.9460 -8.9460 -7.5191 -7.5191 -7.4744 -7.4744 -0.8584 -0.8584 4.3129 4.3129 4.8469 4.8469 5.1000 5.1000 5.2630 5.2630 6.0499 6.0499 6.7705 6.7705 7.0735 7.0735 7.1370 7.1370 7.6911 7.6911 7.9742 7.9742 8.1393 8.1393 14.5244 14.5244 14.5282 14.5282 15.5994 15.5994 15.7969 15.7969 16.0750 16.0767 k = 0.1453 0.3477 0.9808 ( 2982 PWs) bands (ev): -29.7624 -29.7624 -29.7503 -29.7503 -11.4093 -11.4093 -11.2794 -11.2794 -11.0558 -11.0558 -10.8693 -10.8693 -10.7849 -10.7849 -10.7079 -10.7079 -9.1039 -9.1039 -8.9425 -8.9425 -7.5467 -7.5467 -7.4834 -7.4834 -0.9257 -0.9257 4.2894 4.2894 4.8591 4.8591 5.1230 5.1230 5.3818 5.3818 6.0149 6.0149 6.7753 6.7753 7.0772 7.0772 7.1193 7.1193 7.7436 7.7436 7.9991 7.9991 8.1405 8.1405 14.4990 14.4990 14.5059 14.5059 15.5527 15.5527 15.8533 15.8533 16.0487 16.0487 k = 0.1512 0.3345 0.9952 ( 2984 PWs) bands (ev): -29.7620 -29.7620 -29.7499 -29.7499 -11.4005 -11.4005 -11.2719 -11.2719 -11.0600 -11.0600 -10.8686 -10.8686 -10.7882 -10.7882 -10.7121 -10.7121 -9.0900 -9.0900 -8.9391 -8.9391 -7.5744 -7.5744 -7.4922 -7.4922 -0.9896 -0.9896 4.2647 4.2647 4.8751 4.8751 5.1446 5.1446 5.4979 5.4979 5.9798 5.9798 6.7799 6.7799 7.0810 7.0810 7.1017 7.1017 7.7933 7.7933 8.0240 8.0240 8.1414 8.1414 14.4733 14.4733 14.4850 14.4850 15.5059 15.5059 15.9062 15.9062 16.0238 16.0238 k = 0.1570 0.3213 1.0097 ( 2988 PWs) bands (ev): -29.7616 -29.7616 -29.7495 -29.7495 -11.3921 -11.3921 -11.2646 -11.2646 -11.0638 -11.0638 -10.8678 -10.8678 -10.7914 -10.7914 -10.7164 -10.7164 -9.0759 -9.0759 -8.9358 -8.9358 -7.6021 -7.6021 -7.5009 -7.5009 -1.0501 -1.0501 4.2396 4.2396 4.8943 4.8943 5.1654 5.1654 5.6104 5.6104 5.9447 5.9447 6.7840 6.7840 7.0820 7.0820 7.0874 7.0874 7.8396 7.8396 8.0492 8.0492 8.1420 8.1420 14.4488 14.4488 14.4644 14.4644 15.4596 15.4596 15.9395 15.9395 16.0173 16.0173 k = 0.1628 0.3081 1.0241 ( 2984 PWs) bands (ev): -29.7612 -29.7612 -29.7491 -29.7491 -11.3843 -11.3843 -11.2573 -11.2573 -11.0670 -11.0670 -10.8669 -10.8669 -10.7943 -10.7943 -10.7207 -10.7207 -9.0617 -9.0617 -8.9326 -8.9326 -7.6296 -7.6296 -7.5094 -7.5094 -1.1070 -1.1070 4.2146 4.2146 4.9161 4.9161 5.1855 5.1855 5.7187 5.7187 5.9098 5.9098 6.7878 6.7878 7.0661 7.0661 7.0904 7.0904 7.8821 7.8821 8.0750 8.0750 8.1422 8.1422 14.4256 14.4256 14.4442 14.4442 15.4142 15.4142 15.9304 15.9304 16.0518 16.0518 k = 0.1686 0.2949 1.0385 ( 2982 PWs) bands (ev): -29.7608 -29.7608 -29.7488 -29.7488 -11.3771 -11.3771 -11.2504 -11.2504 -11.0697 -11.0697 -10.8658 -10.8658 -10.7971 -10.7971 -10.7250 -10.7250 -9.0475 -9.0475 -8.9295 -8.9295 -7.6568 -7.6568 -7.5176 -7.5176 -1.1604 -1.1604 4.1900 4.1900 4.9400 4.9400 5.2047 5.2047 5.8214 5.8214 5.8763 5.8763 6.7911 6.7911 7.0489 7.0489 7.0950 7.0950 7.9204 7.9204 8.1013 8.1013 8.1422 8.1422 14.4040 14.4040 14.4244 14.4244 15.3700 15.3700 15.9048 15.9048 16.1010 16.1010 k = 0.1744 0.2817 1.0529 ( 2974 PWs) bands (ev): -29.7604 -29.7604 -29.7484 -29.7484 -11.3705 -11.3705 -11.2437 -11.2437 -11.0718 -11.0718 -10.8646 -10.8646 -10.7998 -10.7998 -10.7294 -10.7294 -9.0332 -9.0332 -8.9266 -8.9266 -7.6835 -7.6835 -7.5254 -7.5254 -1.2102 -1.2102 4.1663 4.1663 4.9657 4.9657 5.2229 5.2229 5.8374 5.8374 5.9247 5.9247 6.7941 6.7941 7.0317 7.0317 7.1001 7.1001 7.9544 7.9544 8.1277 8.1277 8.1426 8.1426 14.3839 14.3839 14.4052 14.4052 15.3274 15.3274 15.8767 15.8767 16.1506 16.1506 k = 0.1802 0.2685 1.0673 ( 2972 PWs) bands (ev): -29.7600 -29.7600 -29.7481 -29.7481 -11.3646 -11.3646 -11.2374 -11.2374 -11.0733 -11.0733 -10.8631 -10.8631 -10.8024 -10.8024 -10.7338 -10.7338 -9.0192 -9.0192 -8.9237 -8.9237 -7.7095 -7.7095 -7.5329 -7.5329 -1.2564 -1.2564 4.1437 4.1437 4.9929 4.9929 5.2402 5.2402 5.8032 5.8032 6.0186 6.0186 6.7966 6.7966 7.0146 7.0146 7.1055 7.1055 7.9841 7.9841 8.1391 8.1391 8.1582 8.1582 14.3653 14.3653 14.3868 14.3868 15.2866 15.2866 15.8487 15.8488 16.1975 16.1976 k = 0.1860 0.2553 1.0818 ( 2970 PWs) bands (ev): -29.7597 -29.7597 -29.7478 -29.7478 -11.3593 -11.3593 -11.2316 -11.2316 -11.0743 -11.0743 -10.8616 -10.8616 -10.8049 -10.8049 -10.7382 -10.7382 -9.0054 -9.0054 -8.9211 -8.9211 -7.7347 -7.7347 -7.5400 -7.5400 -1.2990 -1.2990 4.1224 4.1224 5.0213 5.0213 5.2565 5.2565 5.7684 5.7684 6.1079 6.1079 6.7988 6.7988 6.9974 6.9974 7.1112 7.1112 8.0096 8.0096 8.1385 8.1385 8.1857 8.1857 14.3483 14.3483 14.3693 14.3693 15.2479 15.2479 15.8219 15.8219 16.2412 16.2414 k = 0.1919 0.2421 1.0962 ( 2976 PWs) bands (ev): -29.7594 -29.7594 -29.7475 -29.7475 -11.3547 -11.3547 -11.2263 -11.2263 -11.0746 -11.0746 -10.8598 -10.8598 -10.8074 -10.8074 -10.7425 -10.7425 -8.9921 -8.9921 -8.9185 -8.9185 -7.7587 -7.7587 -7.5466 -7.5466 -1.3380 -1.3380 4.1026 4.1026 5.0508 5.0508 5.2716 5.2716 5.7335 5.7335 6.1920 6.1920 6.8006 6.8006 6.9802 6.9802 7.1172 7.1172 8.0315 8.0315 8.1371 8.1371 8.2133 8.2133 14.3328 14.3328 14.3528 14.3528 15.2116 15.2116 15.7966 15.7966 16.2776 16.2824 k = 0.1977 0.2289 1.1106 ( 2976 PWs) bands (ev): -29.7591 -29.7591 -29.7473 -29.7473 -11.3507 -11.3507 -11.2215 -11.2215 -11.0745 -11.0745 -10.8579 -10.8579 -10.8097 -10.8097 -10.7468 -10.7468 -8.9794 -8.9794 -8.9160 -8.9160 -7.7815 -7.7815 -7.5528 -7.5528 -1.3733 -1.3733 4.0844 4.0844 5.0811 5.0811 5.2854 5.2854 5.6987 5.6987 6.2705 6.2705 6.8021 6.8021 6.9628 6.9628 7.1233 7.1233 8.0502 8.0502 8.1353 8.1353 8.2400 8.2400 14.3189 14.3189 14.3375 14.3375 15.1778 15.1778 15.7731 15.7731 16.2806 16.3145 k = 0.2035 0.2157 1.1250 ( 2972 PWs) bands (ev): -29.7588 -29.7588 -29.7470 -29.7470 -11.3473 -11.3473 -11.2173 -11.2173 -11.0738 -11.0738 -10.8558 -10.8558 -10.8118 -10.8118 -10.7509 -10.7509 -8.9675 -8.9675 -8.9136 -8.9136 -7.8027 -7.8027 -7.5584 -7.5584 -1.4049 -1.4049 4.0679 4.0679 5.1122 5.1122 5.2980 5.2980 5.6639 5.6639 6.3433 6.3433 6.8033 6.8033 6.9451 6.9451 7.1295 7.1295 8.0661 8.0661 8.1334 8.1334 8.2651 8.2651 14.3064 14.3064 14.3236 14.3236 15.1470 15.1470 15.7517 15.7517 16.2790 16.2797 k = 0.2093 0.2025 1.1395 ( 2972 PWs) bands (ev): -29.7586 -29.7586 -29.7468 -29.7468 -11.3444 -11.3444 -11.2136 -11.2136 -11.0729 -11.0729 -10.8537 -10.8537 -10.8139 -10.8139 -10.7549 -10.7549 -8.9567 -8.9567 -8.9112 -8.9112 -7.8221 -7.8221 -7.5634 -7.5634 -1.4328 -1.4328 4.0532 4.0532 5.1439 5.1439 5.3093 5.3093 5.6292 5.6292 6.4103 6.4103 6.8043 6.8043 6.9270 6.9270 7.1357 7.1357 8.0795 8.0795 8.1314 8.1314 8.2882 8.2882 14.2955 14.2955 14.3112 14.3112 15.1192 15.1192 15.7324 15.7324 16.2806 16.2809 k = 0.2151 0.1893 1.1539 ( 2978 PWs) bands (ev): -29.7584 -29.7584 -29.7466 -29.7466 -11.3421 -11.3421 -11.2105 -11.2105 -11.0716 -11.0716 -10.8516 -10.8516 -10.8158 -10.8158 -10.7586 -10.7586 -8.9472 -8.9472 -8.9088 -8.9088 -7.8396 -7.8396 -7.5678 -7.5678 -1.4570 -1.4570 4.0403 4.0403 5.1760 5.1760 5.3192 5.3192 5.5946 5.5946 6.4715 6.4715 6.8050 6.8050 6.9084 6.9084 7.1418 7.1418 8.0908 8.0908 8.1293 8.1293 8.3089 8.3089 14.2858 14.2858 14.3004 14.3004 15.0946 15.0946 15.7154 15.7154 16.2822 16.2823 k = 0.2209 0.1761 1.1683 ( 2980 PWs) bands (ev): -29.7582 -29.7582 -29.7465 -29.7465 -11.3402 -11.3402 -11.2079 -11.2079 -11.0703 -11.0703 -10.8494 -10.8494 -10.8176 -10.8176 -10.7620 -10.7620 -8.9391 -8.9391 -8.9064 -8.9064 -7.8548 -7.8548 -7.5716 -7.5716 -1.4775 -1.4775 4.0294 4.0294 5.2085 5.2085 5.3276 5.3276 5.5603 5.5603 6.5267 6.5267 6.8055 6.8055 6.8893 6.8893 7.1474 7.1474 8.1000 8.1000 8.1274 8.1274 8.3268 8.3268 14.2776 14.2776 14.2913 14.2913 15.0735 15.0735 15.7009 15.7009 16.2836 16.2837 k = 0.2267 0.1629 1.1827 ( 2980 PWs) bands (ev): -29.7581 -29.7581 -29.7464 -29.7464 -11.3387 -11.3387 -11.2059 -11.2059 -11.0690 -11.0690 -10.8474 -10.8474 -10.8191 -10.8191 -10.7651 -10.7651 -8.9328 -8.9328 -8.9039 -8.9039 -7.8676 -7.8676 -7.5748 -7.5748 -1.4943 -1.4943 4.0204 4.0204 5.2410 5.2410 5.3346 5.3346 5.5262 5.5262 6.5760 6.5760 6.8059 6.8059 6.8695 6.8695 7.1525 7.1525 8.1072 8.1072 8.1258 8.1258 8.3417 8.3417 14.2707 14.2707 14.2839 14.2839 15.0560 15.0560 15.6889 15.6889 16.2848 16.2848 k = 0.2326 0.1497 1.1972 ( 2984 PWs) bands (ev): -29.7580 -29.7580 -29.7463 -29.7463 -11.3377 -11.3377 -11.2043 -11.2043 -11.0679 -11.0679 -10.8457 -10.8457 -10.8204 -10.8204 -10.7676 -10.7676 -8.9281 -8.9281 -8.9014 -8.9014 -7.8778 -7.8778 -7.5772 -7.5772 -1.5073 -1.5073 4.0133 4.0133 5.2733 5.2733 5.3401 5.3401 5.4928 5.4928 6.6191 6.6191 6.8062 6.8062 6.8495 6.8495 7.1567 7.1567 8.1125 8.1125 8.1248 8.1248 8.3535 8.3535 14.2652 14.2652 14.2783 14.2783 15.0423 15.0423 15.6795 15.6795 16.2856 16.2856 k = 0.2384 0.1365 1.2116 ( 2982 PWs) bands (ev): -29.7579 -29.7579 -29.7462 -29.7462 -11.3369 -11.3369 -11.2032 -11.2032 -11.0670 -11.0670 -10.8443 -10.8443 -10.8213 -10.8213 -10.7694 -10.7694 -8.9250 -8.9250 -8.8993 -8.8993 -7.8852 -7.8852 -7.5790 -7.5790 -1.5167 -1.5167 4.0083 4.0083 5.3044 5.3044 5.3442 5.3442 5.4607 5.4607 6.6550 6.6550 6.8062 6.8062 6.8301 6.8301 7.1600 7.1600 8.1157 8.1157 8.1244 8.1244 8.3620 8.3620 14.2613 14.2613 14.2743 14.2743 15.0324 15.0324 15.6727 15.6727 16.2863 16.2863 k = 0.2442 0.1233 1.2260 ( 2978 PWs) bands (ev): -29.7578 -29.7578 -29.7461 -29.7461 -11.3365 -11.3365 -11.2026 -11.2026 -11.0664 -11.0664 -10.8434 -10.8434 -10.8219 -10.8219 -10.7706 -10.7706 -8.9233 -8.9233 -8.8979 -8.8979 -7.8897 -7.8897 -7.5801 -7.5801 -1.5223 -1.5223 4.0052 4.0052 5.3312 5.3312 5.3475 5.3475 5.4324 5.4324 6.6810 6.6810 6.8056 6.8056 6.8145 6.8145 7.1620 7.1620 8.1171 8.1171 8.1247 8.1247 8.3671 8.3671 14.2588 14.2588 14.2720 14.2720 15.0264 15.0264 15.6686 15.6686 16.2867 16.2867 k = 0.2500 0.1101 1.2404 ( 2980 PWs) bands (ev): -29.7578 -29.7578 -29.7461 -29.7461 -11.3363 -11.3363 -11.2023 -11.2023 -11.0662 -11.0662 -10.8431 -10.8431 -10.8221 -10.8221 -10.7710 -10.7710 -8.9227 -8.9227 -8.8974 -8.8974 -7.8913 -7.8913 -7.5804 -7.5804 -1.5241 -1.5241 4.0042 4.0042 5.3418 5.3418 5.3516 5.3516 5.4184 5.4184 6.6913 6.6913 6.8038 6.8038 6.8094 6.8094 7.1626 7.1626 8.1174 8.1174 8.1250 8.1250 8.3689 8.3689 14.2580 14.2580 14.2712 14.2712 15.0244 15.0244 15.6672 15.6672 16.2869 16.2869 k = 0.2500 0.1101 1.2404 ( 2980 PWs) bands (ev): -29.7578 -29.7578 -29.7461 -29.7461 -11.3363 -11.3363 -11.2023 -11.2023 -11.0662 -11.0662 -10.8431 -10.8431 -10.8221 -10.8221 -10.7710 -10.7710 -8.9227 -8.9227 -8.8974 -8.8974 -7.8913 -7.8913 -7.5804 -7.5804 -1.5241 -1.5241 4.0042 4.0042 5.3418 5.3418 5.3516 5.3516 5.4184 5.4184 6.6913 6.6913 6.8038 6.8038 6.8094 6.8094 7.1626 7.1626 8.1174 8.1174 8.1250 8.1250 8.3689 8.3689 14.2580 14.2580 14.2712 14.2712 15.0244 15.0244 15.6672 15.6672 16.2869 16.2869 k = 0.2667 0.1175 1.2324 ( 2976 PWs) bands (ev): -29.7578 -29.7578 -29.7461 -29.7461 -11.3364 -11.3364 -11.2023 -11.2023 -11.0662 -11.0662 -10.8436 -10.8436 -10.8218 -10.8218 -10.7708 -10.7708 -8.9228 -8.9228 -8.8975 -8.8975 -7.8911 -7.8911 -7.5803 -7.5803 -1.5239 -1.5239 4.0049 4.0049 5.3397 5.3397 5.3513 5.3513 5.4198 5.4198 6.6892 6.6892 6.7782 6.7782 6.8382 6.8382 7.1630 7.1630 8.0794 8.0794 8.1613 8.1613 8.3686 8.3686 14.2159 14.2159 14.3154 14.3154 15.0247 15.0247 15.6675 15.6675 16.2871 16.2871 k = 0.2833 0.1248 1.2244 ( 2976 PWs) bands (ev): -29.7578 -29.7578 -29.7461 -29.7461 -11.3366 -11.3366 -11.2022 -11.2022 -11.0663 -11.0663 -10.8450 -10.8450 -10.8209 -10.8209 -10.7702 -10.7702 -8.9231 -8.9231 -8.8977 -8.8977 -7.8908 -7.8908 -7.5797 -7.5797 -1.5231 -1.5231 4.0069 4.0069 5.3330 5.3330 5.3521 5.3521 5.4228 5.4228 6.6814 6.6814 6.7566 6.7566 6.8711 6.8711 7.1641 7.1641 8.0363 8.0363 8.1993 8.1993 8.3679 8.3679 14.1704 14.1704 14.3669 14.3669 15.0255 15.0255 15.6684 15.6684 16.2876 16.2877 k = 0.3000 0.1321 1.2164 ( 2976 PWs) bands (ev): -29.7578 -29.7578 -29.7462 -29.7462 -11.3369 -11.3369 -11.2021 -11.2021 -11.0663 -11.0663 -10.8469 -10.8469 -10.8197 -10.8197 -10.7693 -10.7693 -8.9235 -8.9235 -8.8980 -8.8980 -7.8904 -7.8904 -7.5789 -7.5789 -1.5218 -1.5218 4.0102 4.0102 5.3231 5.3231 5.3538 5.3538 5.4260 5.4260 6.6658 6.6658 6.7436 6.7436 6.9053 6.9053 7.1660 7.1660 7.9920 7.9920 8.2353 8.2353 8.3666 8.3666 14.1277 14.1277 14.4192 14.4192 15.0272 15.0272 15.6698 15.6698 16.2884 16.2898 k = 0.3167 0.1395 1.2083 ( 2977 PWs) bands (ev): -29.7578 -29.7578 -29.7462 -29.7462 -11.3374 -11.3374 -11.2020 -11.2020 -11.0665 -11.0665 -10.8491 -10.8491 -10.8186 -10.8186 -10.7680 -10.7680 -8.9240 -8.9240 -8.8985 -8.8985 -7.8897 -7.8897 -7.5777 -7.5777 -1.5200 -1.5200 4.0147 4.0147 5.3116 5.3116 5.3559 5.3559 5.4288 5.4288 6.6443 6.6443 6.7373 6.7373 6.9407 6.9407 7.1688 7.1688 7.9466 7.9466 8.2688 8.2688 8.3651 8.3651 14.0883 14.0883 14.4716 14.4716 15.0299 15.0299 15.6720 15.6720 16.2954 16.3076 k = 0.3333 0.1468 1.2003 ( 2975 PWs) bands (ev): -29.7579 -29.7579 -29.7462 -29.7462 -11.3379 -11.3379 -11.2020 -11.2020 -11.0666 -11.0666 -10.8512 -10.8512 -10.8175 -10.8175 -10.7665 -10.7665 -8.9245 -8.9245 -8.8991 -8.8991 -7.8888 -7.8888 -7.5764 -7.5764 -1.5176 -1.5176 4.0203 4.0203 5.2989 5.2989 5.3582 5.3582 5.4308 5.4308 6.6202 6.6202 6.7347 6.7347 6.9767 6.9767 7.1727 7.1727 7.9004 7.9004 8.2994 8.2994 8.3636 8.3636 14.0524 14.0524 14.5230 14.5230 15.0341 15.0341 15.6748 15.6748 16.2516 16.2516 k = 0.3500 0.1542 1.1923 ( 2975 PWs) bands (ev): -29.7579 -29.7579 -29.7462 -29.7462 -11.3385 -11.3385 -11.2022 -11.2022 -11.0668 -11.0668 -10.8532 -10.8532 -10.8166 -10.8166 -10.7648 -10.7648 -8.9252 -8.9252 -8.8998 -8.8998 -7.8878 -7.8878 -7.5748 -7.5748 -1.5147 -1.5147 4.0267 4.0267 5.2855 5.2855 5.3606 5.3606 5.4323 5.4323 6.5955 6.5955 6.7337 6.7337 7.0128 7.0128 7.1779 7.1779 7.8537 7.8537 8.3256 8.3256 8.3633 8.3633 14.0202 14.0202 14.5722 14.5722 15.0405 15.0405 15.6784 15.6784 16.1919 16.1919 k = 0.3667 0.1615 1.1843 ( 2972 PWs) bands (ev): -29.7579 -29.7579 -29.7463 -29.7463 -11.3393 -11.3393 -11.2025 -11.2025 -11.0669 -11.0669 -10.8550 -10.8550 -10.8159 -10.8159 -10.7629 -10.7629 -8.9261 -8.9261 -8.9005 -8.9005 -7.8864 -7.8864 -7.5731 -7.5731 -1.5111 -1.5111 4.0339 4.0339 5.2714 5.2714 5.3631 5.3631 5.4333 5.4333 6.5711 6.5711 6.7335 6.7335 7.0476 7.0476 7.1854 7.1854 7.8067 7.8067 8.3416 8.3416 8.3700 8.3700 13.9921 13.9921 14.6177 14.6177 15.0499 15.0499 15.6826 15.6826 16.1340 16.1340 k = 0.3833 0.1688 1.1763 ( 2972 PWs) bands (ev): -29.7579 -29.7579 -29.7463 -29.7463 -11.3401 -11.3401 -11.2031 -11.2031 -11.0671 -11.0671 -10.8564 -10.8564 -10.8154 -10.8154 -10.7609 -10.7609 -8.9271 -8.9271 -8.9012 -8.9012 -7.8848 -7.8848 -7.5713 -7.5713 -1.5069 -1.5069 4.0416 4.0416 5.2569 5.2569 5.3656 5.3656 5.4340 5.4340 6.5475 6.5475 6.7337 6.7337 7.0792 7.0792 7.1970 7.1970 7.7597 7.7597 8.3439 8.3439 8.3869 8.3869 13.9682 13.9682 14.6580 14.6580 15.0633 15.0633 15.6872 15.6872 16.0787 16.0787 k = 0.4000 0.1762 1.1682 ( 2974 PWs) bands (ev): -29.7579 -29.7579 -29.7464 -29.7464 -11.3409 -11.3409 -11.2040 -11.2040 -11.0672 -11.0672 -10.8575 -10.8575 -10.8152 -10.8152 -10.7588 -10.7588 -8.9285 -8.9285 -8.9017 -8.9017 -7.8829 -7.8829 -7.5695 -7.5695 -1.5021 -1.5021 4.0496 4.0496 5.2422 5.2422 5.3681 5.3681 5.4348 5.4348 6.5248 6.5248 6.7342 6.7342 7.1042 7.1042 7.2153 7.2153 7.7130 7.7130 8.3410 8.3410 8.4054 8.4054 13.9486 13.9486 14.6914 14.6914 15.0817 15.0817 15.6920 15.6920 16.0270 16.0270 k = 0.4167 0.1835 1.1602 ( 2972 PWs) bands (ev): -29.7579 -29.7579 -29.7465 -29.7465 -11.3419 -11.3419 -11.2052 -11.2052 -11.0672 -11.0672 -10.8582 -10.8582 -10.8151 -10.8151 -10.7567 -10.7567 -8.9302 -8.9302 -8.9020 -8.9020 -7.8805 -7.8805 -7.5677 -7.5677 -1.4966 -1.4966 4.0577 4.0577 5.2273 5.2273 5.3706 5.3706 5.4359 5.4359 6.5030 6.5030 6.7349 6.7349 7.1205 7.1205 7.2423 7.2423 7.6670 7.6670 8.3364 8.3364 8.4219 8.4219 13.9335 13.9335 14.7165 14.7165 15.1052 15.1052 15.6967 15.6967 15.9801 15.9801 k = 0.4333 0.1909 1.1522 ( 2976 PWs) bands (ev): -29.7579 -29.7579 -29.7466 -29.7466 -11.3428 -11.3428 -11.2066 -11.2066 -11.0673 -11.0673 -10.8584 -10.8584 -10.8152 -10.8152 -10.7547 -10.7547 -8.9324 -8.9324 -8.9020 -8.9020 -7.8778 -7.8778 -7.5660 -7.5660 -1.4905 -1.4905 4.0656 4.0656 5.2125 5.2125 5.3730 5.3730 5.4374 5.4374 6.4822 6.4822 6.7360 6.7360 7.1288 7.1288 7.2766 7.2766 7.6219 7.6219 8.3310 8.3310 8.4355 8.4355 13.9230 13.9230 14.7328 14.7328 15.1331 15.1331 15.7008 15.7008 15.9398 15.9398 k = 0.4500 0.1982 1.1442 ( 2980 PWs) bands (ev): -29.7579 -29.7579 -29.7467 -29.7467 -11.3439 -11.3439 -11.2083 -11.2083 -11.0673 -11.0673 -10.8582 -10.8582 -10.8154 -10.8154 -10.7528 -10.7528 -8.9351 -8.9351 -8.9017 -8.9017 -7.8746 -7.8746 -7.5644 -7.5644 -1.4838 -1.4838 4.0731 4.0731 5.1978 5.1978 5.3754 5.3754 5.4397 5.4397 6.4622 6.4622 6.7376 6.7376 7.1314 7.1314 7.3153 7.3153 7.5782 7.5782 8.3248 8.3248 8.4461 8.4461 13.9170 13.9170 14.7410 14.7410 15.1637 15.1637 15.7036 15.7036 15.9078 15.9078 k = 0.4667 0.2055 1.1362 ( 2978 PWs) bands (ev): -29.7580 -29.7580 -29.7468 -29.7468 -11.3450 -11.3450 -11.2102 -11.2102 -11.0674 -11.0674 -10.8575 -10.8575 -10.8157 -10.8157 -10.7510 -10.7510 -8.9384 -8.9384 -8.9010 -8.9010 -7.8708 -7.8708 -7.5628 -7.5628 -1.4763 -1.4763 4.0800 4.0800 5.1836 5.1836 5.3777 5.3777 5.4429 5.4429 6.4429 6.4429 6.7397 6.7397 7.1298 7.1298 7.3558 7.3558 7.5370 7.5370 8.3180 8.3180 8.4534 8.4534 13.9157 13.9157 14.7419 14.7419 15.1943 15.1943 15.7051 15.7051 15.8858 15.8858 k = 0.4833 0.2129 1.1281 ( 2984 PWs) bands (ev): -29.7580 -29.7580 -29.7469 -29.7469 -11.3461 -11.3461 -11.2122 -11.2122 -11.0676 -11.0676 -10.8564 -10.8564 -10.8162 -10.8162 -10.7494 -10.7494 -8.9422 -8.9422 -8.8999 -8.8999 -7.8666 -7.8666 -7.5615 -7.5615 -1.4683 -1.4683 4.0862 4.0862 5.1697 5.1697 5.3800 5.3800 5.4471 5.4471 6.4242 6.4242 6.7425 6.7425 7.1248 7.1248 7.3949 7.3949 7.5007 7.5007 8.3106 8.3106 8.4575 8.4575 13.9189 13.9189 14.7365 14.7365 15.2219 15.2219 15.7060 15.7060 15.8746 15.8746 k = 0.5000 0.2202 1.1201 ( 2988 PWs) bands (ev): -29.7580 -29.7580 -29.7470 -29.7470 -11.3473 -11.3473 -11.2142 -11.2142 -11.0679 -11.0679 -10.8549 -10.8549 -10.8167 -10.8167 -10.7480 -10.7480 -8.9466 -8.9466 -8.8985 -8.8985 -7.8617 -7.8617 -7.5602 -7.5602 -1.4596 -1.4596 4.0916 4.0916 5.1564 5.1564 5.3821 5.3821 5.4525 5.4525 6.4060 6.4060 6.7462 6.7462 7.1165 7.1165 7.4182 7.4182 7.4832 7.4832 8.3026 8.3026 8.4584 8.4584 13.9265 13.9265 14.7258 14.7258 15.2439 15.2439 15.7083 15.7083 15.8738 15.8738 k = 0.5000 0.2202 1.1201 ( 2988 PWs) bands (ev): -29.7580 -29.7580 -29.7470 -29.7470 -11.3473 -11.3473 -11.2142 -11.2142 -11.0679 -11.0679 -10.8549 -10.8549 -10.8167 -10.8167 -10.7480 -10.7480 -8.9466 -8.9466 -8.8985 -8.8985 -7.8617 -7.8617 -7.5602 -7.5602 -1.4596 -1.4596 4.0916 4.0916 5.1564 5.1564 5.3821 5.3821 5.4525 5.4525 6.4060 6.4060 6.7462 6.7462 7.1165 7.1165 7.4182 7.4182 7.4832 7.4832 8.3026 8.3026 8.4584 8.4584 13.9265 13.9265 14.7258 14.7258 15.2439 15.2439 15.7083 15.7083 15.8738 15.8738 k = 0.5000 0.2202 1.0997 ( 2992 PWs) bands (ev): -29.7581 -29.7581 -29.7474 -29.7474 -11.3510 -11.3510 -11.2193 -11.2193 -11.0687 -11.0687 -10.8505 -10.8505 -10.8179 -10.8179 -10.7445 -10.7445 -8.9598 -8.9598 -8.8937 -8.8937 -7.8478 -7.8478 -7.5570 -7.5570 -1.4348 -1.4348 4.1051 4.1051 5.1228 5.1228 5.3878 5.3878 5.4673 5.4673 6.3575 6.3575 6.7566 6.7566 7.0903 7.0903 7.4254 7.4254 7.4951 7.4951 8.2805 8.2805 8.4564 8.4564 13.9535 13.9535 14.6935 14.6935 15.2910 15.2910 15.7175 15.7175 15.8840 15.8840 k = 0.5000 0.2202 1.0794 ( 2988 PWs) bands (ev): -29.7581 -29.7581 -29.7478 -29.7478 -11.3559 -11.3559 -11.2242 -11.2242 -11.0695 -11.0695 -10.8461 -10.8461 -10.8186 -10.8186 -10.7408 -10.7408 -8.9752 -8.9752 -8.8875 -8.8875 -7.8321 -7.8321 -7.5534 -7.5534 -1.4064 -1.4064 4.1206 4.1206 5.0884 5.0884 5.3944 5.3944 5.4805 5.4805 6.3036 6.3036 6.7663 6.7663 7.0623 7.0623 7.4322 7.4322 7.5085 7.5085 8.2562 8.2562 8.4541 8.4541 13.9837 13.9837 14.6630 14.6630 15.3384 15.3384 15.7252 15.7252 15.8936 15.8936 k = 0.5000 0.2202 1.0590 ( 2986 PWs) bands (ev): -29.7582 -29.7582 -29.7482 -29.7482 -11.3621 -11.3621 -11.2286 -11.2286 -11.0702 -11.0702 -10.8423 -10.8423 -10.8185 -10.8185 -10.7369 -10.7369 -8.9924 -8.9924 -8.8801 -8.8801 -7.8150 -7.8150 -7.5495 -7.5495 -1.3743 -1.3743 4.1383 4.1383 5.0532 5.0532 5.4019 5.4019 5.4923 5.4923 6.2444 6.2444 6.7756 6.7756 7.0327 7.0327 7.4383 7.4383 7.5232 7.5232 8.2301 8.2301 8.4515 8.4515 14.0168 14.0168 14.6345 14.6345 15.3856 15.3856 15.7306 15.7306 15.8991 15.8991 k = 0.5000 0.2202 1.0386 ( 2974 PWs) bands (ev): -29.7583 -29.7583 -29.7487 -29.7487 -11.3698 -11.3698 -11.2322 -11.2322 -11.0706 -11.0706 -10.8394 -10.8394 -10.8172 -10.8172 -10.7329 -10.7329 -9.0111 -9.0111 -8.8718 -8.8718 -7.7965 -7.7965 -7.5453 -7.5453 -1.3388 -1.3388 4.1579 4.1579 5.0176 5.0176 5.4103 5.4103 5.5028 5.5028 6.1800 6.1800 6.7845 6.7845 7.0017 7.0017 7.4437 7.4437 7.5391 7.5391 8.2027 8.2027 8.4485 8.4485 14.0524 14.0524 14.6081 14.6081 15.4323 15.4323 15.7329 15.7329 15.8944 15.8944 k = 0.5000 0.2202 1.0183 ( 2978 PWs) bands (ev): -29.7584 -29.7584 -29.7492 -29.7492 -11.3791 -11.3791 -11.2350 -11.2350 -11.0709 -11.0709 -10.8377 -10.8377 -10.8146 -10.8146 -10.7290 -10.7290 -9.0313 -9.0313 -8.8624 -8.8624 -7.7769 -7.7769 -7.5408 -7.5408 -1.2998 -1.2998 4.1796 4.1796 4.9814 4.9814 5.4196 5.4196 5.5122 5.5122 6.1103 6.1103 6.7930 6.7930 6.9697 6.9697 7.4485 7.4485 7.5559 7.5559 8.1743 8.1743 8.4451 8.4451 14.0902 14.0902 14.5836 14.5836 15.4783 15.4783 15.7304 15.7304 15.8735 15.8735 k = 0.5000 0.2202 0.9979 ( 2976 PWs) bands (ev): -29.7585 -29.7585 -29.7498 -29.7498 -11.3898 -11.3898 -11.2369 -11.2369 -11.0709 -11.0709 -10.8370 -10.8370 -10.8109 -10.8109 -10.7249 -10.7249 -9.0526 -9.0526 -8.8521 -8.8521 -7.7563 -7.7563 -7.5363 -7.5363 -1.2575 -1.2575 4.2033 4.2033 4.9450 4.9450 5.4298 5.4298 5.5206 5.5206 6.0355 6.0355 6.8013 6.8013 6.9369 6.9369 7.4525 7.4525 7.5736 7.5736 8.1453 8.1453 8.4413 8.4413 14.1298 14.1298 14.5614 14.5614 15.5234 15.5234 15.7189 15.7189 15.8382 15.8382 k = 0.5000 0.2202 0.9775 ( 2974 PWs) bands (ev): -29.7586 -29.7586 -29.7504 -29.7504 -11.4018 -11.4018 -11.2379 -11.2379 -11.0706 -11.0706 -10.8370 -10.8370 -10.8065 -10.8065 -10.7209 -10.7209 -9.0749 -9.0749 -8.8409 -8.8409 -7.7349 -7.7349 -7.5316 -7.5316 -1.2121 -1.2121 4.2289 4.2289 4.9083 4.9083 5.4409 5.4409 5.5283 5.5283 5.9558 5.9558 6.8095 6.8095 6.9036 6.9036 7.4559 7.4559 7.5920 7.5920 8.1159 8.1159 8.4371 8.4371 14.1708 14.1708 14.5413 14.5413 15.5669 15.5669 15.6874 15.6874 15.8027 15.8027 k = 0.5000 0.2202 0.9572 ( 2964 PWs) bands (ev): -29.7587 -29.7587 -29.7510 -29.7510 -11.4150 -11.4150 -11.2381 -11.2381 -11.0700 -11.0700 -10.8371 -10.8371 -10.8017 -10.8017 -10.7168 -10.7168 -9.0981 -9.0981 -8.8287 -8.8287 -7.7128 -7.7128 -7.5269 -7.5269 -1.1635 -1.1635 4.2565 4.2565 4.8716 4.8716 5.4529 5.4529 5.5354 5.5354 5.8713 5.8713 6.8176 6.8176 6.8699 6.8699 7.4587 7.4587 7.6108 7.6108 8.0866 8.0866 8.4325 8.4325 14.2132 14.2132 14.5233 14.5233 15.6039 15.6039 15.6317 15.6317 15.7808 15.7808 k = 0.5000 0.2202 0.9368 ( 2968 PWs) bands (ev): -29.7588 -29.7588 -29.7517 -29.7517 -11.4291 -11.4291 -11.2377 -11.2377 -11.0690 -11.0690 -10.8375 -10.8375 -10.7969 -10.7969 -10.7128 -10.7128 -9.1220 -9.1220 -8.8157 -8.8157 -7.6903 -7.6903 -7.5223 -7.5223 -1.1119 -1.1119 4.2860 4.2860 4.8349 4.8349 5.4658 5.4658 5.5421 5.5421 5.7825 5.7825 6.8254 6.8254 6.8363 6.8363 7.4608 7.4608 7.6299 7.6299 8.0575 8.0575 8.4275 8.4275 14.2563 14.2563 14.5075 14.5075 15.5403 15.5403 15.6528 15.6528 15.7685 15.7685 k = 0.5000 0.2202 0.9165 ( 2972 PWs) bands (ev): -29.7590 -29.7590 -29.7525 -29.7525 -11.4440 -11.4440 -11.2368 -11.2368 -11.0676 -11.0676 -10.8377 -10.8377 -10.7921 -10.7921 -10.7089 -10.7089 -9.1465 -9.1465 -8.8018 -8.8018 -7.6673 -7.6673 -7.5178 -7.5178 -1.0575 -1.0575 4.3172 4.3172 4.7983 4.7983 5.4795 5.4795 5.5485 5.5485 5.6896 5.6896 6.8021 6.8021 6.8339 6.8339 7.4624 7.4624 7.6491 7.6491 8.0287 8.0287 8.4220 8.4220 14.3000 14.3000 14.4939 14.4939 15.4447 15.4447 15.6911 15.6911 15.7594 15.7594 k = 0.5000 0.2202 0.8961 ( 2972 PWs) bands (ev): -29.7591 -29.7591 -29.7533 -29.7533 -11.4596 -11.4596 -11.2355 -11.2355 -11.0657 -11.0657 -10.8380 -10.8380 -10.7873 -10.7873 -10.7051 -10.7051 -9.1714 -9.1714 -8.7871 -8.7871 -7.6442 -7.6442 -7.5135 -7.5135 -1.0003 -1.0003 4.3503 4.3503 4.7619 4.7619 5.4940 5.4940 5.5533 5.5533 5.5946 5.5946 6.7687 6.7687 6.8420 6.8420 7.4634 7.4634 7.6683 7.6683 8.0005 8.0005 8.4160 8.4160 14.3440 14.3440 14.4824 14.4824 15.3404 15.3404 15.7279 15.7279 15.7509 15.7509 k = 0.5000 0.2202 0.8757 ( 2974 PWs) bands (ev): -29.7592 -29.7592 -29.7541 -29.7541 -11.4755 -11.4755 -11.2339 -11.2339 -11.0633 -11.0633 -10.8381 -10.8381 -10.7828 -10.7828 -10.7013 -10.7013 -9.1967 -9.1967 -8.7715 -8.7715 -7.6210 -7.6210 -7.5095 -7.5095 -0.9405 -0.9405 4.3851 4.3851 4.7258 4.7258 5.4877 5.4877 5.5117 5.5117 5.5644 5.5644 6.7357 6.7357 6.8502 6.8502 7.4639 7.4639 7.6872 7.6872 7.9729 7.9729 8.4094 8.4094 14.3879 14.3879 14.4729 14.4729 15.2302 15.2302 15.7418 15.7418 15.7626 15.7626 k = 0.5000 0.2202 0.8554 ( 2978 PWs) bands (ev): -29.7594 -29.7594 -29.7549 -29.7549 -11.4918 -11.4918 -11.2321 -11.2321 -11.0605 -11.0605 -10.8381 -10.8381 -10.7784 -10.7784 -10.6976 -10.6976 -9.2221 -9.2221 -8.7550 -8.7550 -7.5979 -7.5979 -7.5058 -7.5058 -0.8782 -0.8782 4.4215 4.4215 4.6902 4.6902 5.3861 5.3861 5.5268 5.5268 5.5712 5.5712 6.7035 6.7035 6.8585 6.8585 7.4640 7.4640 7.7057 7.7057 7.9461 7.9461 8.4023 8.4023 14.4315 14.4315 14.4654 14.4654 15.1162 15.1162 15.7317 15.7317 15.7948 15.7948 k = 0.5000 0.2202 0.8350 ( 2982 PWs) bands (ev): -29.7596 -29.7596 -29.7558 -29.7558 -11.5083 -11.5083 -11.2302 -11.2302 -11.0571 -11.0571 -10.8380 -10.8380 -10.7742 -10.7742 -10.6941 -10.6941 -9.2477 -9.2477 -8.7378 -8.7378 -7.5749 -7.5749 -7.5025 -7.5025 -0.8135 -0.8135 4.4594 4.4594 4.6550 4.6550 5.2797 5.2797 5.5440 5.5440 5.5792 5.5792 6.6721 6.6721 6.8670 6.8670 7.4637 7.4637 7.7237 7.7237 7.9202 7.9202 8.3946 8.3946 14.4595 14.4595 14.4747 14.4747 14.9994 14.9994 15.7204 15.7204 15.8240 15.8240 k = 0.5000 0.2202 0.8146 ( 2982 PWs) bands (ev): -29.7597 -29.7597 -29.7567 -29.7567 -11.5249 -11.5249 -11.2281 -11.2281 -11.0533 -11.0533 -10.8378 -10.8378 -10.7702 -10.7702 -10.6906 -10.6906 -9.2732 -9.2732 -8.7198 -8.7198 -7.5523 -7.5523 -7.4997 -7.4997 -0.7466 -0.7466 4.4986 4.4986 4.6204 4.6204 5.1707 5.1707 5.5623 5.5623 5.5884 5.5884 6.6417 6.6417 6.8756 6.8756 7.4631 7.4631 7.7410 7.7410 7.8951 7.8951 8.3864 8.3864 14.4557 14.4557 14.5164 14.5164 14.8809 14.8809 15.7077 15.7077 15.7583 15.7583 k = 0.5000 0.2202 0.7943 ( 2982 PWs) bands (ev): -29.7599 -29.7599 -29.7576 -29.7576 -11.5415 -11.5415 -11.2260 -11.2260 -11.0489 -11.0489 -10.8375 -10.8375 -10.7663 -10.7663 -10.6873 -10.6873 -9.2987 -9.2987 -8.7011 -8.7011 -7.5300 -7.5300 -7.4974 -7.4974 -0.6775 -0.6775 4.5389 4.5389 4.5866 4.5866 5.0595 5.0595 5.5815 5.5815 5.5986 5.5986 6.6126 6.6126 6.8843 6.8843 7.4623 7.4623 7.7574 7.7574 7.8710 7.8710 8.3774 8.3774 14.4534 14.4534 14.5564 14.5564 14.7617 14.7617 15.6732 15.6732 15.6946 15.6946 k = 0.5000 0.2202 0.7739 ( 2984 PWs) bands (ev): -29.7601 -29.7601 -29.7586 -29.7586 -11.5581 -11.5581 -11.2238 -11.2238 -11.0441 -11.0441 -10.8371 -10.8371 -10.7627 -10.7627 -10.6841 -10.6841 -9.3240 -9.3240 -8.6816 -8.6816 -7.5084 -7.5084 -7.4956 -7.4956 -0.6065 -0.6065 4.5515 4.5515 4.5824 4.5824 4.9466 4.9466 5.6016 5.6016 5.6102 5.6102 6.5848 6.5848 6.8931 6.8931 7.4612 7.4612 7.7729 7.7729 7.8479 7.8479 8.3678 8.3678 14.4524 14.4524 14.5932 14.5932 14.6433 14.6433 15.5907 15.5907 15.6787 15.6787 k = 0.5000 0.2202 0.7535 ( 2980 PWs) bands (ev): -29.7603 -29.7603 -29.7596 -29.7596 -11.5745 -11.5745 -11.2216 -11.2216 -11.0389 -11.0389 -10.8366 -10.8366 -10.7592 -10.7592 -10.6810 -10.6810 -9.3491 -9.3491 -8.6615 -8.6615 -7.4952 -7.4952 -7.4864 -7.4864 -0.5335 -0.5335 4.5193 4.5193 4.6245 4.6245 4.8324 4.8324 5.6223 5.6223 5.6234 5.6234 6.5586 6.5586 6.9021 6.9021 7.4599 7.4599 7.7868 7.7868 7.8264 7.8264 8.3576 8.3576 14.4524 14.4524 14.5224 14.5224 14.6297 14.6297 15.5104 15.5104 15.6619 15.6619 k = 0.5000 0.2202 0.7332 ( 2984 PWs) bands (ev): -29.7606 -29.7606 -29.7605 -29.7605 -11.5908 -11.5908 -11.2193 -11.2193 -11.0332 -11.0332 -10.8360 -10.8360 -10.7559 -10.7559 -10.6780 -10.6780 -9.3738 -9.3738 -8.6406 -8.6406 -7.4945 -7.4945 -7.4661 -7.4661 -0.4588 -0.4588 4.4871 4.4871 4.6680 4.6680 4.7173 4.7173 5.6378 5.6378 5.6445 5.6445 6.5340 6.5340 6.9110 6.9110 7.4585 7.4585 7.7947 7.7947 7.8109 7.8109 8.3466 8.3466 14.4021 14.4021 14.4560 14.4560 14.6588 14.6588 15.4341 15.4341 15.6438 15.6438 k = 0.5000 0.2202 0.7128 ( 2980 PWs) bands (ev): -29.7616 -29.7616 -29.7607 -29.7607 -11.6068 -11.6068 -11.2170 -11.2170 -11.0272 -11.0272 -10.8353 -10.8353 -10.7527 -10.7527 -10.6752 -10.6752 -9.3980 -9.3980 -8.6192 -8.6192 -7.4949 -7.4949 -7.4463 -7.4463 -0.3825 -0.3825 4.4552 4.4552 4.6018 4.6018 4.7124 4.7124 5.6542 5.6542 5.6672 5.6672 6.5112 6.5112 6.9201 6.9201 7.4571 7.4571 7.7812 7.7812 7.8168 7.8168 8.3348 8.3348 14.2855 14.2855 14.4577 14.4577 14.6808 14.6808 15.3646 15.3646 15.6245 15.6245 k = 0.5000 0.2202 0.6924 ( 2980 PWs) bands (ev): -29.7626 -29.7626 -29.7609 -29.7609 -11.6226 -11.6226 -11.2147 -11.2147 -11.0209 -11.0209 -10.8345 -10.8345 -10.7497 -10.7497 -10.6724 -10.6724 -9.4218 -9.4218 -8.5971 -8.5971 -7.4959 -7.4959 -7.4273 -7.4273 -0.3047 -0.3047 4.4217 4.4217 4.4884 4.4884 4.7570 4.7570 5.6724 5.6724 5.6908 5.6908 6.4904 6.4904 6.9291 6.9291 7.4558 7.4558 7.7629 7.7629 7.8273 7.8273 8.3222 8.3222 14.1697 14.1697 14.4608 14.4608 14.6924 14.6924 15.3050 15.3050 15.6040 15.6040 k = 0.5000 0.2202 0.6721 ( 2984 PWs) bands (ev): -29.7636 -29.7636 -29.7611 -29.7611 -11.6380 -11.6380 -11.2123 -11.2123 -11.0143 -11.0143 -10.8337 -10.8337 -10.7468 -10.7468 -10.6697 -10.6697 -9.4451 -9.4451 -8.5745 -8.5745 -7.4978 -7.4978 -7.4091 -7.4091 -0.2256 -0.2256 4.3576 4.3576 4.4063 4.4063 4.8017 4.8017 5.6926 5.6926 5.7153 5.7153 6.4716 6.4716 6.9381 6.9381 7.4546 7.4546 7.7451 7.7451 7.8372 7.8372 8.3088 8.3088 14.0555 14.0555 14.4645 14.4645 14.6896 14.6896 15.2593 15.2593 15.5824 15.5824 k = 0.5000 0.2202 0.6517 ( 2982 PWs) bands (ev): -29.7647 -29.7647 -29.7613 -29.7613 -11.6531 -11.6531 -11.2098 -11.2098 -11.0075 -11.0075 -10.8329 -10.8329 -10.7440 -10.7440 -10.6672 -10.6672 -9.4678 -9.4678 -8.5514 -8.5514 -7.5005 -7.5005 -7.3919 -7.3919 -0.1451 -0.1451 4.2468 4.2468 4.3721 4.3721 4.8462 4.8462 5.7148 5.7148 5.7406 5.7406 6.4550 6.4550 6.9469 6.9469 7.4536 7.4536 7.7283 7.7283 7.8460 7.8460 8.2946 8.2946 13.9434 13.9434 14.4685 14.4685 14.6695 14.6695 15.2308 15.2308 15.5598 15.5598 k = 0.5000 0.2202 0.6313 ( 2990 PWs) bands (ev): -29.7657 -29.7657 -29.7615 -29.7615 -11.6678 -11.6678 -11.2073 -11.2073 -11.0005 -11.0005 -10.8320 -10.8320 -10.7414 -10.7414 -10.6647 -10.6647 -9.4899 -9.4899 -8.5278 -8.5278 -7.5040 -7.5040 -7.3755 -7.3755 -0.0636 -0.0636 4.1320 4.1320 4.3433 4.3433 4.8901 4.8901 5.7392 5.7392 5.7667 5.7667 6.4408 6.4408 6.9556 6.9556 7.4530 7.4530 7.7127 7.7127 7.8537 7.8537 8.2795 8.2795 13.8335 13.8335 14.4726 14.4726 14.6315 14.6315 15.2202 15.2202 15.5362 15.5362 k = 0.5000 0.2202 0.6110 ( 2986 PWs) bands (ev): -29.7668 -29.7668 -29.7617 -29.7617 -11.6822 -11.6822 -11.2047 -11.2047 -10.9934 -10.9934 -10.8310 -10.8310 -10.7389 -10.7389 -10.6623 -10.6623 -9.5112 -9.5112 -8.5038 -8.5038 -7.5083 -7.5083 -7.3601 -7.3601 0.0189 0.0189 4.0172 4.0172 4.3161 4.3161 4.9331 4.9331 5.7657 5.7657 5.7937 5.7937 6.4292 6.4292 6.9640 6.9640 7.4528 7.4528 7.6983 7.6983 7.8600 7.8600 8.2635 8.2635 13.7262 13.7262 14.4766 14.4766 14.5781 14.5781 15.2249 15.2249 15.5119 15.5119 k = 0.5000 0.2202 0.5906 ( 2982 PWs) bands (ev): -29.7678 -29.7678 -29.7619 -29.7619 -11.6961 -11.6961 -11.2020 -11.2020 -10.9861 -10.9861 -10.8300 -10.8300 -10.7365 -10.7365 -10.6599 -10.6599 -9.5319 -9.5319 -8.4795 -8.4795 -7.5134 -7.5134 -7.3457 -7.3457 0.1023 0.1023 3.9033 3.9033 4.2901 4.2901 4.9747 4.9747 5.7944 5.7944 5.8214 5.8214 6.4203 6.4203 6.9721 6.9721 7.4531 7.4531 7.6852 7.6852 7.8651 7.8651 8.2466 8.2466 13.6215 13.6215 14.4802 14.4802 14.5135 14.5135 15.2409 15.2409 15.4868 15.4868 k = 0.5000 0.2202 0.5702 ( 2974 PWs) bands (ev): -29.7689 -29.7689 -29.7621 -29.7621 -11.7096 -11.7096 -11.1993 -11.1993 -10.9788 -10.9788 -10.8290 -10.8290 -10.7341 -10.7341 -10.6575 -10.6575 -9.5518 -9.5518 -8.4548 -8.4548 -7.5193 -7.5193 -7.3323 -7.3323 0.1864 0.1864 3.7905 3.7905 4.2651 4.2651 5.0144 5.0144 5.8253 5.8253 5.8500 5.8500 6.4144 6.4144 6.9799 6.9799 7.4540 7.4540 7.6735 7.6735 7.8689 7.8689 8.2288 8.2288 13.5197 13.5197 14.4413 14.4413 14.4832 14.4832 15.2648 15.2648 15.4611 15.4611 k = 0.5000 0.2202 0.5499 ( 2972 PWs) bands (ev): -29.7699 -29.7699 -29.7623 -29.7623 -11.7226 -11.7226 -11.1966 -11.1966 -10.9715 -10.9715 -10.8279 -10.8279 -10.7319 -10.7319 -10.6551 -10.6551 -9.5709 -9.5709 -8.4300 -8.4300 -7.5260 -7.5260 -7.3200 -7.3200 0.2711 0.2711 3.6793 3.6793 4.2412 4.2412 5.0518 5.0518 5.8583 5.8583 5.8792 5.8792 6.4115 6.4115 6.9871 6.9871 7.4556 7.4556 7.6632 7.6632 7.8715 7.8715 8.2100 8.2100 13.4209 13.4209 14.3645 14.3645 14.4854 14.4854 15.2937 15.2937 15.4347 15.4347 k = 0.5000 0.2202 0.5295 ( 2976 PWs) bands (ev): -29.7710 -29.7710 -29.7625 -29.7625 -11.7352 -11.7352 -11.1938 -11.1938 -10.9642 -10.9642 -10.8268 -10.8268 -10.7298 -10.7298 -10.6527 -10.6527 -9.5893 -9.5893 -8.4050 -8.4050 -7.5334 -7.5334 -7.3086 -7.3086 0.3563 0.3563 3.5698 3.5698 4.2182 4.2182 5.0863 5.0863 5.8935 5.8935 5.9093 5.9093 6.4120 6.4120 6.9938 6.9938 7.4581 7.4581 7.6543 7.6543 7.8728 7.8728 8.1903 8.1903 13.3253 13.3253 14.2850 14.2850 14.4866 14.4866 15.3259 15.3259 15.4079 15.4079 k = 0.5000 0.2202 0.5091 ( 2988 PWs) bands (ev): -29.7720 -29.7720 -29.7628 -29.7628 -11.7474 -11.7474 -11.1910 -11.1910 -10.9570 -10.9570 -10.8258 -10.8258 -10.7279 -10.7279 -10.6503 -10.6503 -9.6068 -9.6068 -8.3798 -8.3798 -7.5415 -7.5415 -7.2982 -7.2982 0.4417 0.4417 3.4623 3.4623 4.1962 4.1962 5.1175 5.1175 5.9307 5.9307 5.9400 5.9400 6.4160 6.4160 6.9999 6.9999 7.4615 7.4615 7.6470 7.6470 7.8728 7.8728 8.1697 8.1697 13.2328 13.2328 14.2040 14.2040 14.4866 14.4866 15.3599 15.3599 15.3807 15.3807 k = 0.5000 0.2202 0.4888 ( 2988 PWs) bands (ev): -29.7730 -29.7730 -29.7630 -29.7630 -11.7591 -11.7591 -11.1882 -11.1882 -10.9499 -10.9499 -10.8246 -10.8246 -10.7260 -10.7260 -10.6478 -10.6478 -9.6236 -9.6236 -8.3547 -8.3547 -7.5502 -7.5502 -7.2888 -7.2888 0.5272 0.5272 3.3570 3.3570 4.1751 4.1751 5.1449 5.1449 5.9689 5.9689 5.9725 5.9725 6.4236 6.4236 7.0053 7.0053 7.4660 7.4660 7.6412 7.6412 7.8716 7.8716 8.1482 8.1482 13.1437 13.1437 14.1226 14.1226 14.4853 14.4853 15.3529 15.3529 15.3954 15.3954 k = 0.5000 0.2202 0.4684 ( 2992 PWs) bands (ev): -29.7740 -29.7740 -29.7632 -29.7632 -11.7703 -11.7703 -11.1854 -11.1854 -10.9429 -10.9429 -10.8235 -10.8235 -10.7242 -10.7242 -10.6452 -10.6452 -9.6395 -9.6395 -8.3296 -8.3296 -7.5595 -7.5595 -7.2804 -7.2804 0.6127 0.6127 3.2542 3.2542 4.1551 4.1551 5.1680 5.1680 6.0025 6.0025 6.0121 6.0121 6.4351 6.4351 7.0100 7.0100 7.4715 7.4715 7.6369 7.6369 7.8691 7.8691 8.1257 8.1257 13.0581 13.0581 14.0416 14.0416 14.4825 14.4825 15.3249 15.3250 15.4313 15.4313 k = 0.5000 0.2202 0.4480 ( 2992 PWs) bands (ev): -29.7750 -29.7750 -29.7634 -29.7634 -11.7810 -11.7810 -11.1826 -11.1826 -10.9360 -10.9360 -10.8223 -10.8223 -10.7225 -10.7225 -10.6426 -10.6426 -9.6545 -9.6545 -8.3047 -8.3047 -7.5694 -7.5694 -7.2729 -7.2729 0.6980 0.6980 3.1540 3.1540 4.1360 4.1360 5.1865 5.1865 6.0351 6.0351 6.0551 6.0551 6.4503 6.4503 7.0139 7.0139 7.4781 7.4781 7.6342 7.6342 7.8654 7.8654 8.1024 8.1024 12.9759 12.9759 13.9613 13.9613 14.4780 14.4780 15.2968 15.2968 15.4673 15.4673 k = 0.5000 0.2202 0.4277 ( 2994 PWs) bands (ev): -29.7759 -29.7759 -29.7636 -29.7636 -11.7912 -11.7912 -11.1798 -11.1798 -10.9293 -10.9293 -10.8211 -10.8211 -10.7209 -10.7209 -10.6399 -10.6399 -9.6688 -9.6688 -8.2799 -8.2799 -7.5797 -7.5797 -7.2662 -7.2662 0.7829 0.7829 3.0567 3.0567 4.1178 4.1178 5.2002 5.2002 6.0680 6.0680 6.0999 6.0999 6.4692 6.4692 7.0170 7.0170 7.4859 7.4859 7.6330 7.6330 7.8606 7.8606 8.0783 8.0783 12.8973 12.8973 13.8824 13.8824 14.4717 14.4717 15.2683 15.2683 15.5032 15.5032 k = 0.5000 0.2202 0.4073 ( 3004 PWs) bands (ev): -29.7769 -29.7769 -29.7638 -29.7638 -11.8010 -11.8010 -11.1772 -11.1772 -10.9227 -10.9227 -10.8199 -10.8199 -10.7194 -10.7194 -10.6372 -10.6372 -9.6823 -9.6823 -8.2555 -8.2555 -7.5904 -7.5904 -7.2604 -7.2604 0.8672 0.8672 2.9624 2.9624 4.1006 4.1006 5.2089 5.2089 6.1013 6.1013 6.1462 6.1462 6.4917 6.4917 7.0194 7.0194 7.4949 7.4949 7.6332 7.6332 7.8546 7.8546 8.0533 8.0533 12.8223 12.8223 13.8049 13.8049 14.4635 14.4635 15.2397 15.2397 15.5385 15.5386 k = 0.5000 0.2202 0.3869 ( 3000 PWs) bands (ev): -29.7778 -29.7778 -29.7640 -29.7640 -11.8103 -11.8103 -11.1745 -11.1745 -10.9164 -10.9164 -10.8187 -10.8187 -10.7179 -10.7179 -10.6343 -10.6343 -9.6950 -9.6950 -8.2315 -8.2315 -7.6014 -7.6014 -7.2554 -7.2554 0.9507 0.9507 2.8713 2.8713 4.0844 4.0844 5.2128 5.2128 6.1350 6.1350 6.1940 6.1940 6.5175 6.5175 7.0210 7.0210 7.5051 7.5051 7.6347 7.6347 7.8474 7.8474 8.0277 8.0277 12.7508 12.7508 13.7295 13.7295 14.4534 14.4534 15.2110 15.2110 15.5635 15.5710 k = 0.5000 0.2202 0.3666 ( 3004 PWs) bands (ev): -29.7786 -29.7786 -29.7642 -29.7642 -11.8191 -11.8191 -11.1720 -11.1720 -10.9102 -10.9102 -10.8175 -10.8175 -10.7165 -10.7165 -10.6314 -10.6314 -9.7069 -9.7069 -8.2080 -8.2080 -7.6126 -7.6126 -7.2512 -7.2512 1.0331 1.0331 2.7837 2.7837 4.0690 4.0690 5.2119 5.2119 6.1689 6.1689 6.2429 6.2429 6.5462 6.5462 7.0220 7.0220 7.5164 7.5164 7.6376 7.6376 7.8392 7.8392 8.0013 8.0013 12.6830 12.6830 13.6561 13.6561 14.4414 14.4414 15.1822 15.1822 15.5200 15.5400 k = 0.5000 0.2202 0.3462 ( 3002 PWs) bands (ev): -29.7795 -29.7795 -29.7643 -29.7643 -11.8274 -11.8274 -11.1696 -11.1696 -10.9043 -10.9043 -10.8163 -10.8163 -10.7151 -10.7151 -10.6284 -10.6284 -9.7180 -9.7180 -8.1850 -8.1850 -7.6239 -7.6239 -7.2476 -7.2476 1.1143 1.1143 2.6997 2.6997 4.0546 4.0546 5.2065 5.2065 6.2029 6.2029 6.2929 6.2929 6.5773 6.5773 7.0222 7.0222 7.5288 7.5288 7.6416 7.6416 7.8298 7.8298 7.9744 7.9744 12.6188 12.6188 13.5853 13.5853 14.4274 14.4274 15.1534 15.1534 15.5030 15.5030 k = 0.5000 0.2202 0.3258 ( 2998 PWs) bands (ev): -29.7803 -29.7803 -29.7645 -29.7645 -11.8352 -11.8352 -11.1673 -11.1673 -10.8987 -10.8987 -10.8152 -10.8152 -10.7138 -10.7138 -10.6254 -10.6254 -9.7284 -9.7284 -8.1627 -8.1627 -7.6353 -7.6353 -7.2446 -7.2446 1.1938 1.1938 2.6195 2.6195 4.0411 4.0411 5.1969 5.1969 6.2370 6.2370 6.3435 6.3435 6.6103 6.6103 7.0219 7.0219 7.5421 7.5421 7.6466 7.6466 7.8194 7.8194 7.9471 7.9471 12.5582 12.5582 13.5171 13.5171 14.4114 14.4114 15.1246 15.1246 15.4877 15.4877 k = 0.5000 0.2202 0.3055 ( 3000 PWs) bands (ev): -29.7810 -29.7810 -29.7647 -29.7647 -11.8426 -11.8426 -11.1651 -11.1651 -10.8933 -10.8933 -10.8140 -10.8140 -10.7126 -10.7126 -10.6224 -10.6224 -9.7380 -9.7380 -8.1411 -8.1411 -7.6466 -7.6466 -7.2422 -7.2422 1.2716 1.2716 2.5432 2.5432 4.0285 4.0285 5.1837 5.1837 6.2711 6.2711 6.3946 6.3946 6.6447 6.6447 7.0211 7.0211 7.5562 7.5562 7.6525 7.6525 7.8079 7.8079 7.9194 7.9194 12.5013 12.5013 13.4518 13.4518 14.3935 14.3935 15.0960 15.0960 15.4739 15.4739 k = 0.5000 0.2202 0.2851 ( 2998 PWs) bands (ev): -29.7818 -29.7818 -29.7648 -29.7648 -11.8494 -11.8494 -11.1630 -11.1630 -10.8882 -10.8882 -10.8129 -10.8129 -10.7113 -10.7113 -10.6194 -10.6194 -9.7469 -9.7469 -8.1205 -8.1205 -7.6578 -7.6578 -7.2403 -7.2403 1.3471 1.3471 2.4711 2.4711 4.0167 4.0167 5.1672 5.1672 6.3049 6.3049 6.4459 6.4459 6.6800 6.6800 7.0198 7.0198 7.5709 7.5709 7.6591 7.6591 7.7954 7.7954 7.8915 7.8915 12.4480 12.4480 13.3897 13.3897 14.3740 14.3740 15.0676 15.0676 15.4617 15.4617 k = 0.5000 0.2202 0.2648 ( 2998 PWs) bands (ev): -29.7825 -29.7825 -29.7650 -29.7650 -11.8558 -11.8558 -11.1611 -11.1611 -10.8834 -10.8834 -10.8119 -10.8119 -10.7102 -10.7102 -10.6164 -10.6164 -9.7551 -9.7551 -8.1007 -8.1007 -7.6688 -7.6688 -7.2389 -7.2389 1.4202 1.4202 2.4032 2.4032 4.0058 4.0058 5.1481 5.1481 6.3384 6.3384 6.4970 6.4970 6.7155 6.7155 7.0182 7.0182 7.5861 7.5861 7.6662 7.6662 7.7819 7.7819 7.8636 7.8636 12.3983 12.3983 13.3308 13.3308 14.3531 14.3531 15.0395 15.0395 15.4510 15.4510 k = 0.5000 0.2202 0.2444 ( 2990 PWs) bands (ev): -29.7831 -29.7831 -29.7651 -29.7651 -11.8617 -11.8617 -11.1593 -11.1593 -10.8789 -10.8789 -10.8108 -10.8108 -10.7090 -10.7090 -10.6135 -10.6135 -9.7627 -9.7627 -8.0820 -8.0820 -7.6793 -7.6793 -7.2378 -7.2378 1.4903 1.4903 2.3398 2.3398 3.9958 3.9958 5.1269 5.1269 6.3712 6.3712 6.5477 6.5477 6.7506 6.7506 7.0164 7.0164 7.6014 7.6014 7.6738 7.6738 7.7676 7.7676 7.8359 7.8359 12.3522 12.3522 13.2754 13.2754 14.3309 14.3309 15.0120 15.0120 15.4417 15.4417 k = 0.5000 0.2202 0.2240 ( 2994 PWs) bands (ev): -29.7837 -29.7837 -29.7653 -29.7653 -11.8671 -11.8671 -11.1577 -11.1577 -10.8747 -10.8747 -10.8099 -10.8099 -10.7079 -10.7079 -10.6107 -10.6107 -9.7695 -9.7695 -8.0644 -8.0644 -7.6895 -7.6895 -7.2371 -7.2371 1.5572 1.5572 2.2810 2.2810 3.9867 3.9867 5.1042 5.1042 6.4033 6.4033 6.5976 6.5976 6.7850 6.7850 7.0144 7.0144 7.6167 7.6167 7.6815 7.6815 7.7524 7.7524 7.8086 7.8086 12.3098 12.3098 13.2237 13.2237 14.3080 14.3080 14.9852 14.9852 15.4337 15.4337 k = 0.5000 0.2202 0.2037 ( 2986 PWs) bands (ev): -29.7842 -29.7842 -29.7654 -29.7654 -11.8721 -11.8721 -11.1562 -11.1562 -10.8709 -10.8709 -10.8090 -10.8090 -10.7068 -10.7068 -10.6079 -10.6079 -9.7757 -9.7757 -8.0480 -8.0480 -7.6991 -7.6991 -7.2367 -7.2367 1.6203 1.6203 2.2269 2.2269 3.9783 3.9783 5.0806 5.0806 6.4344 6.4344 6.6463 6.6463 6.8180 6.8180 7.0123 7.0123 7.6316 7.6316 7.6894 7.6894 7.7365 7.7365 7.7821 7.7821 12.2709 12.2709 13.1760 13.1760 14.2846 14.2846 14.9595 14.9595 15.4269 15.4269 k = 0.5000 0.2202 0.1833 ( 2986 PWs) bands (ev): -29.7848 -29.7848 -29.7655 -29.7655 -11.8766 -11.8766 -11.1549 -11.1549 -10.8674 -10.8674 -10.8082 -10.8082 -10.7058 -10.7058 -10.6054 -10.6054 -9.7813 -9.7813 -8.0330 -8.0330 -7.7081 -7.7081 -7.2365 -7.2365 1.6793 1.6793 2.1778 2.1778 3.9708 3.9708 5.0567 5.0567 6.4642 6.4642 6.6932 6.6932 6.8493 6.8493 7.0102 7.0102 7.6459 7.6459 7.6970 7.6970 7.7202 7.7202 7.7567 7.7567 12.2357 12.2357 13.1322 13.1322 14.2614 14.2614 14.9349 14.9349 15.4213 15.4213 k = 0.5000 0.2202 0.1629 ( 2986 PWs) bands (ev): -29.7852 -29.7852 -29.7656 -29.7656 -11.8806 -11.8806 -11.1538 -11.1538 -10.8642 -10.8642 -10.8074 -10.8074 -10.7049 -10.7049 -10.6030 -10.6030 -9.7862 -9.7862 -8.0192 -8.0192 -7.7164 -7.7164 -7.2364 -7.2364 1.7335 1.7335 2.1337 2.1337 3.9642 3.9642 5.0331 5.0331 6.4924 6.4924 6.7380 6.7380 6.8783 6.8783 7.0082 7.0082 7.6592 7.6592 7.6997 7.6997 7.7082 7.7082 7.7328 7.7328 12.2041 12.2041 13.0925 13.0925 14.2387 14.2387 14.9118 14.9118 15.4167 15.4168 k = 0.5000 0.2202 0.1426 ( 2986 PWs) bands (ev): -29.7856 -29.7856 -29.7657 -29.7657 -11.8841 -11.8841 -11.1527 -11.1527 -10.8615 -10.8615 -10.8068 -10.8068 -10.7041 -10.7041 -10.6008 -10.6008 -9.7905 -9.7905 -8.0070 -8.0070 -7.7240 -7.7240 -7.2365 -7.2365 1.7825 1.7825 2.0949 2.0949 3.9583 3.9583 5.0106 5.0106 6.5186 6.5186 6.7802 6.7802 6.9048 6.9048 7.0064 7.0064 7.6706 7.6706 7.6850 7.6850 7.7107 7.7107 7.7138 7.7138 12.1761 12.1761 13.0572 13.0572 14.2171 14.2171 14.8905 14.8905 15.4130 15.4130 k = 0.5000 0.2202 0.1222 ( 2982 PWs) bands (ev): -29.7860 -29.7860 -29.7658 -29.7658 -11.8872 -11.8872 -11.1519 -11.1519 -10.8590 -10.8590 -10.8062 -10.8062 -10.7033 -10.7033 -10.5988 -10.5988 -9.7942 -9.7942 -7.9962 -7.9962 -7.7307 -7.7307 -7.2366 -7.2366 1.8256 1.8256 2.0616 2.0616 3.9532 3.9532 4.9895 4.9895 6.5426 6.5426 6.8189 6.8189 6.9283 6.9283 7.0048 7.0048 7.6661 7.6661 7.6821 7.6821 7.6920 7.6920 7.7207 7.7207 12.1518 12.1518 13.0263 13.0263 14.1971 14.1971 14.8712 14.8712 15.4101 15.4103 k = 0.5000 0.2202 0.1018 ( 2978 PWs) bands (ev): -29.7863 -29.7863 -29.7658 -29.7658 -11.8897 -11.8897 -11.1511 -11.1511 -10.8569 -10.8569 -10.8057 -10.8057 -10.7026 -10.7026 -10.5971 -10.5971 -9.7973 -9.7973 -7.9869 -7.9869 -7.7364 -7.7364 -7.2368 -7.2368 1.8620 1.8620 2.0343 2.0343 3.9490 3.9490 4.9706 4.9706 6.5638 6.5638 6.8537 6.8537 6.9485 6.9485 7.0036 7.0036 7.6501 7.6501 7.6725 7.6725 7.6928 7.6928 7.7273 7.7273 12.1312 12.1312 13.0000 13.0000 14.1793 14.1793 14.8544 14.8544 15.4079 15.4081 k = 0.5000 0.2202 0.0815 ( 2970 PWs) bands (ev): -29.7865 -29.7865 -29.7659 -29.7659 -11.8919 -11.8919 -11.1505 -11.1505 -10.8552 -10.8552 -10.8052 -10.8052 -10.7020 -10.7020 -10.5957 -10.5957 -9.7999 -9.7999 -7.9793 -7.9793 -7.7412 -7.7412 -7.2370 -7.2370 1.8906 1.8906 2.0137 2.0137 3.9455 3.9455 4.9543 4.9543 6.5819 6.5819 6.8837 6.8837 6.9650 6.9650 7.0029 7.0029 7.6353 7.6353 7.6578 7.6578 7.6999 7.6999 7.7333 7.7333 12.1143 12.1143 12.9784 12.9784 14.1640 14.1640 14.8402 14.8402 15.4060 15.4069 k = 0.5000 0.2202 0.0611 ( 2978 PWs) bands (ev): -29.7867 -29.7867 -29.7659 -29.7659 -11.8935 -11.8935 -11.1500 -11.1500 -10.8540 -10.8540 -10.8049 -10.8049 -10.7015 -10.7015 -10.5946 -10.5946 -9.8019 -9.8019 -7.9733 -7.9733 -7.7450 -7.7450 -7.2372 -7.2372 1.9103 1.9103 2.0006 2.0006 3.9428 3.9428 4.9411 4.9411 6.5964 6.5964 6.9081 6.9081 6.9774 6.9774 7.0031 7.0031 7.6228 7.6228 7.6457 7.6457 7.7055 7.7055 7.7383 7.7383 12.1011 12.1011 12.9614 12.9614 14.1517 14.1517 14.8289 14.8289 15.4047 15.4055 k = 0.5000 0.2202 0.0407 ( 2984 PWs) bands (ev): -29.7868 -29.7868 -29.7660 -29.7660 -11.8947 -11.8947 -11.1497 -11.1497 -10.8531 -10.8531 -10.8047 -10.8047 -10.7012 -10.7012 -10.5938 -10.5938 -9.8033 -9.8033 -7.9691 -7.9691 -7.7477 -7.7477 -7.2374 -7.2374 1.9207 1.9207 1.9951 1.9951 3.9408 3.9408 4.9314 4.9314 6.6071 6.6071 6.9262 6.9262 6.9852 6.9852 7.0043 7.0043 7.6134 7.6134 7.6367 7.6367 7.7094 7.7094 7.7421 7.7421 12.0917 12.0917 12.9492 12.9492 14.1426 14.1426 14.8206 14.8206 15.4037 15.4049 k = 0.5000 0.2202 0.0204 ( 2988 PWs) bands (ev): -29.7869 -29.7869 -29.7660 -29.7660 -11.8954 -11.8954 -11.1495 -11.1495 -10.8525 -10.8525 -10.8046 -10.8046 -10.7010 -10.7010 -10.5934 -10.5934 -9.8041 -9.8041 -7.9665 -7.9665 -7.7494 -7.7494 -7.2375 -7.2375 1.9243 1.9243 1.9946 1.9946 3.9397 3.9397 4.9254 4.9254 6.6137 6.6137 6.9373 6.9373 6.9889 6.9889 7.0061 7.0061 7.6075 7.6075 7.6311 7.6311 7.7118 7.7118 7.7445 7.7445 12.0860 12.0860 12.9419 12.9419 14.1371 14.1371 14.8156 14.8156 15.4029 15.4058 k = 0.5000 0.2202-0.0000 ( 2992 PWs) bands (ev): -29.7870 -29.7870 -29.7660 -29.7660 -11.8957 -11.8957 -11.1495 -11.1495 -10.8524 -10.8524 -10.8045 -10.8045 -10.7010 -10.7010 -10.5932 -10.5932 -9.8044 -9.8044 -7.9656 -7.9656 -7.7499 -7.7499 -7.2375 -7.2375 1.9249 1.9249 1.9950 1.9950 3.9393 3.9393 4.9234 4.9234 6.6159 6.6159 6.9411 6.9411 6.9899 6.9899 7.0070 7.0070 7.6055 7.6055 7.6292 7.6292 7.7125 7.7125 7.7453 7.7453 12.0841 12.0841 12.9394 12.9394 14.1352 14.1352 14.8139 14.8139 15.4032 15.4046 k = 0.0000 0.0000 1.2404 ( 2974 PWs) bands (ev): -29.7578 -29.7578 -29.7461 -29.7461 -11.3400 -11.3400 -11.1956 -11.1956 -11.0644 -11.0644 -10.8701 -10.8701 -10.8105 -10.8105 -10.7597 -10.7597 -8.9252 -8.9252 -8.8950 -8.8950 -7.9020 -7.9020 -7.5695 -7.5695 -1.5278 -1.5278 4.0547 4.0547 5.3297 5.3297 5.3325 5.3325 5.3673 5.3673 6.5650 6.5650 6.6913 6.6913 7.2031 7.2031 7.3852 7.3852 7.4494 7.4494 8.3685 8.3685 8.4638 8.4638 13.8489 13.8489 14.9076 14.9076 15.0201 15.0201 15.6688 15.6688 15.8460 15.8460 k = 0.0179 0.0079 1.2404 ( 2970 PWs) bands (ev): -29.7578 -29.7578 -29.7461 -29.7461 -11.3399 -11.3399 -11.1957 -11.1957 -11.0644 -11.0644 -10.8698 -10.8698 -10.8105 -10.8105 -10.7598 -10.7598 -8.9252 -8.9252 -8.8950 -8.8950 -7.9019 -7.9019 -7.5696 -7.5696 -1.5278 -1.5278 4.0541 4.0541 5.3297 5.3297 5.3337 5.3337 5.3671 5.3671 6.5663 6.5663 6.6913 6.6913 7.2026 7.2026 7.3572 7.3572 7.4779 7.4779 8.3685 8.3685 8.4618 8.4618 13.8512 13.8512 14.9010 14.9010 15.0201 15.0201 15.6688 15.6688 15.8529 15.8529 k = 0.0357 0.0157 1.2404 ( 2978 PWs) bands (ev): -29.7578 -29.7578 -29.7461 -29.7461 -11.3398 -11.3398 -11.1959 -11.1959 -11.0645 -11.0645 -10.8690 -10.8690 -10.8108 -10.8108 -10.7603 -10.7603 -8.9251 -8.9251 -8.8951 -8.8951 -7.9015 -7.9015 -7.5700 -7.5700 -1.5276 -1.5276 4.0521 4.0521 5.3299 5.3299 5.3370 5.3370 5.3667 5.3667 6.5702 6.5702 6.6913 6.6913 7.2012 7.2012 7.3115 7.3115 7.5253 7.5253 8.3685 8.3685 8.4560 8.4560 13.8583 13.8583 14.8818 14.8818 15.0203 15.0203 15.6688 15.6688 15.8730 15.8730 k = 0.0536 0.0236 1.2404 ( 2978 PWs) bands (ev): -29.7578 -29.7578 -29.7461 -29.7461 -11.3396 -11.3396 -11.1963 -11.1963 -11.0646 -11.0646 -10.8678 -10.8678 -10.8112 -10.8112 -10.7609 -10.7609 -8.9249 -8.9249 -8.8952 -8.8952 -7.9008 -7.9008 -7.5707 -7.5707 -1.5274 -1.5274 4.0490 4.0490 5.3303 5.3303 5.3421 5.3421 5.3661 5.3661 6.5767 6.5767 6.6913 6.6913 7.1988 7.1988 7.2638 7.2638 7.5758 7.5758 8.3684 8.3684 8.4463 8.4463 13.8700 13.8700 14.8516 14.8516 15.0206 15.0206 15.6687 15.6687 15.9048 15.9048 k = 0.0714 0.0315 1.2404 ( 2982 PWs) bands (ev): -29.7578 -29.7578 -29.7461 -29.7461 -11.3393 -11.3393 -11.1969 -11.1969 -11.0648 -11.0648 -10.8661 -10.8661 -10.8117 -10.8117 -10.7617 -10.7617 -8.9248 -8.9248 -8.8954 -8.8954 -7.9000 -7.9000 -7.5715 -7.5715 -1.5271 -1.5271 4.0448 4.0448 5.3309 5.3309 5.3490 5.3490 5.3653 5.3653 6.5857 6.5857 6.6913 6.6913 7.1957 7.1957 7.2162 7.2162 7.6273 7.6273 8.3683 8.3683 8.4329 8.4329 13.8863 13.8863 14.8125 14.8125 15.0209 15.0209 15.6686 15.6686 15.9461 15.9461 k = 0.0893 0.0393 1.2404 ( 2978 PWs) bands (ev): -29.7578 -29.7578 -29.7461 -29.7461 -11.3390 -11.3390 -11.1975 -11.1975 -11.0650 -11.0650 -10.8640 -10.8640 -10.8124 -10.8124 -10.7627 -10.7627 -8.9245 -8.9245 -8.8956 -8.8956 -7.8990 -7.8990 -7.5725 -7.5725 -1.5268 -1.5268 4.0399 4.0399 5.3317 5.3317 5.3569 5.3569 5.3645 5.3645 6.5972 6.5972 6.6913 6.6913 7.1693 7.1693 7.1919 7.1919 7.6791 7.6791 8.3682 8.3682 8.4158 8.4158 13.9071 13.9071 14.7666 14.7666 15.0213 15.0213 15.6685 15.6685 15.9950 15.9950 k = 0.1071 0.0472 1.2404 ( 2970 PWs) bands (ev): -29.7578 -29.7578 -29.7461 -29.7461 -11.3386 -11.3386 -11.1981 -11.1981 -11.0651 -11.0651 -10.8615 -10.8615 -10.8132 -10.8132 -10.7638 -10.7638 -8.9243 -8.9243 -8.8959 -8.8959 -7.8979 -7.8979 -7.5737 -7.5737 -1.5264 -1.5264 4.0345 4.0345 5.3326 5.3326 5.3620 5.3620 5.3671 5.3671 6.6113 6.6113 6.6913 6.6913 7.1235 7.1235 7.1877 7.1877 7.7309 7.7309 8.3679 8.3679 8.3955 8.3955 13.9323 13.9323 14.7157 14.7157 15.0218 15.0218 15.6684 15.6684 16.0494 16.0494 k = 0.1250 0.0551 1.2404 ( 2962 PWs) bands (ev): -29.7578 -29.7578 -29.7461 -29.7461 -11.3382 -11.3382 -11.1989 -11.1989 -11.0653 -11.0653 -10.8588 -10.8588 -10.8142 -10.8142 -10.7651 -10.7651 -8.9240 -8.9240 -8.8961 -8.8961 -7.8967 -7.8967 -7.5749 -7.5749 -1.5260 -1.5260 4.0288 4.0288 5.3338 5.3338 5.3610 5.3610 5.3762 5.3762 6.6277 6.6277 6.6914 6.6914 7.0787 7.0787 7.1833 7.1833 7.7825 7.7825 8.3647 8.3647 8.3745 8.3745 13.9616 13.9616 14.6615 14.6615 15.0223 15.0223 15.6682 15.6682 16.1080 16.1080 k = 0.1429 0.0629 1.2404 ( 2966 PWs) bands (ev): -29.7578 -29.7578 -29.7461 -29.7461 -11.3378 -11.3378 -11.1996 -11.1996 -11.0655 -11.0655 -10.8559 -10.8559 -10.8154 -10.8154 -10.7663 -10.7663 -8.9237 -8.9237 -8.8964 -8.8964 -7.8955 -7.8955 -7.5761 -7.5761 -1.5256 -1.5256 4.0233 4.0233 5.3350 5.3350 5.3596 5.3596 5.3856 5.3856 6.6466 6.6466 6.6914 6.6914 7.0352 7.0352 7.1787 7.1787 7.8337 7.8337 8.3422 8.3422 8.3696 8.3696 13.9948 13.9948 14.6049 14.6049 15.0227 15.0227 15.6680 15.6680 16.1695 16.1695 k = 0.1607 0.0708 1.2404 ( 2972 PWs) bands (ev): -29.7578 -29.7578 -29.7461 -29.7461 -11.3374 -11.3374 -11.2004 -11.2004 -11.0657 -11.0657 -10.8530 -10.8530 -10.8167 -10.8167 -10.7676 -10.7676 -8.9235 -8.9235 -8.8967 -8.8967 -7.8944 -7.8944 -7.5773 -7.5773 -1.5252 -1.5252 4.0180 4.0180 5.3363 5.3363 5.3579 5.3579 5.3945 5.3945 6.6677 6.6677 6.6914 6.6914 6.9931 6.9931 7.1744 7.1744 7.8842 7.8842 8.3122 8.3122 8.3691 8.3691 14.0318 14.0318 14.5473 14.5473 15.0232 15.0232 15.6679 15.6679 16.2328 16.2328 k = 0.1786 0.0787 1.2404 ( 2972 PWs) bands (ev): -29.7578 -29.7578 -29.7461 -29.7461 -11.3370 -11.3370 -11.2010 -11.2010 -11.0659 -11.0659 -10.8501 -10.8501 -10.8181 -10.8181 -10.7687 -10.7687 -8.9232 -8.9232 -8.8969 -8.8969 -7.8933 -7.8933 -7.5783 -7.5783 -1.5248 -1.5248 4.0133 4.0133 5.3377 5.3377 5.3562 5.3562 5.4025 5.4025 6.6898 6.6898 6.6928 6.6928 6.9525 6.9525 7.1705 7.1705 7.9340 7.9340 8.2790 8.2790 8.3690 8.3690 14.0723 14.0723 14.4892 14.4892 15.0236 15.0236 15.6677 15.6677 16.2916 16.2964 k = 0.1964 0.0865 1.2404 ( 2976 PWs) bands (ev): -29.7578 -29.7578 -29.7461 -29.7461 -11.3367 -11.3367 -11.2016 -11.2016 -11.0660 -11.0660 -10.8474 -10.8474 -10.8195 -10.8195 -10.7696 -10.7696 -8.9230 -8.9230 -8.8971 -8.8971 -7.8925 -7.8925 -7.5792 -7.5792 -1.5245 -1.5245 4.0095 4.0095 5.3391 5.3391 5.3546 5.3546 5.4092 5.4092 6.6912 6.6912 6.7171 6.7171 6.9135 6.9135 7.1672 7.1672 7.9828 7.9828 8.2431 8.2431 8.3689 8.3689 14.1161 14.1161 14.4315 14.4315 15.0239 15.0239 15.6675 15.6675 16.2892 16.2897 k = 0.2143 0.0944 1.2404 ( 2976 PWs) bands (ev): -29.7578 -29.7578 -29.7461 -29.7461 -11.3365 -11.3365 -11.2020 -11.2020 -11.0661 -11.0661 -10.8452 -10.8452 -10.8208 -10.8208 -10.7703 -10.7703 -8.9229 -8.9229 -8.8973 -8.8973 -7.8918 -7.8918 -7.5799 -7.5799 -1.5243 -1.5243 4.0066 4.0066 5.3404 5.3404 5.3531 5.3531 5.4142 5.4142 6.6913 6.6913 6.7448 6.7448 6.8761 6.8761 7.1647 7.1647 8.0303 8.0303 8.2047 8.2047 8.3689 8.3689 14.1629 14.1629 14.3745 14.3745 15.0242 15.0242 15.6674 15.6674 16.2879 16.2879 k = 0.2321 0.1022 1.2404 ( 2976 PWs) bands (ev): -29.7578 -29.7578 -29.7461 -29.7461 -11.3364 -11.3364 -11.2023 -11.2023 -11.0662 -11.0662 -10.8436 -10.8436 -10.8217 -10.8217 -10.7708 -10.7708 -8.9228 -8.9228 -8.8974 -8.8974 -7.8914 -7.8914 -7.5803 -7.5803 -1.5242 -1.5242 4.0048 4.0048 5.3414 5.3414 5.3520 5.3520 5.4174 5.4174 6.6913 6.6913 6.7746 6.7746 6.8405 6.8405 7.1632 7.1632 8.0764 8.0764 8.1641 8.1641 8.3689 8.3689 14.2122 14.2122 14.3190 14.3190 15.0243 15.0243 15.6673 15.6673 16.2872 16.2872 k = 0.2500 0.1101 1.2404 ( 2980 PWs) bands (ev): -29.7578 -29.7578 -29.7461 -29.7461 -11.3363 -11.3363 -11.2023 -11.2023 -11.0662 -11.0662 -10.8431 -10.8431 -10.8221 -10.8221 -10.7710 -10.7710 -8.9227 -8.9227 -8.8974 -8.8974 -7.8913 -7.8913 -7.5804 -7.5804 -1.5241 -1.5241 4.0042 4.0042 5.3418 5.3418 5.3516 5.3516 5.4184 5.4184 6.6913 6.6913 6.8038 6.8038 6.8094 6.8094 7.1626 7.1626 8.1174 8.1174 8.1250 8.1250 8.3689 8.3689 14.2580 14.2580 14.2712 14.2712 15.0244 15.0244 15.6672 15.6672 16.2869 16.2869 Writing output data file Ca2GeO4.save init_run : 0.28s CPU 0.69s WALL ( 1 calls) electrons : 641.28s CPU 650.10s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.10s WALL ( 1 calls) potinit : 0.03s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 641.27s CPU 650.08s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.03s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.06s WALL ( 371 calls) cegterg : 620.25s CPU 627.67s WALL ( 1714 calls) Called by sum_band: Called by *egterg: h_psi : 332.37s CPU 336.16s WALL ( 34007 calls) s_psi : 9.77s CPU 10.27s WALL ( 34007 calls) g_psi : 0.52s CPU 0.44s WALL ( 31922 calls) cdiaghg : 256.16s CPU 259.67s WALL ( 32293 calls) cegterg:over : 14.12s CPU 13.80s WALL ( 31922 calls) cegterg:upda : 13.06s CPU 13.17s WALL ( 31922 calls) cegterg:last : 4.57s CPU 4.61s WALL ( 2832 calls) cdiaghg:chol : 13.97s CPU 13.94s WALL ( 32293 calls) cdiaghg:inve : 9.86s CPU 9.94s WALL ( 32293 calls) cdiaghg:para : 15.39s CPU 15.53s WALL ( 64586 calls) Called by h_psi: h_psi:vloc : 307.18s CPU 310.84s WALL ( 34007 calls) h_psi:vnl : 24.79s CPU 24.88s WALL ( 34007 calls) add_vuspsi : 11.97s CPU 12.27s WALL ( 34007 calls) General routines calbec : 12.70s CPU 12.52s WALL ( 34007 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 287.76s CPU 291.13s WALL ( 2037580 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.21s WALL ( 742 calls) Parallel routines fft_scatter : 79.05s CPU 80.19s WALL ( 2037603 calls) PWSCF : 10m58.66s CPU 11m33.19s WALL This run was terminated on: 16:54:55 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=