Program PWSCF v.5.4.0 starts on 12Feb2017 at 4:24:35 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 & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 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: ./LiZnPS4.save/ file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group 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 117 117 32 3885 3885 551 Max 118 118 33 3888 3888 553 Sum 4235 4235 1161 139915 139915 19865 bravais-lattice index = 14 lattice parameter (alat) = 11.3898 a.u. unit-cell volume = 990.2851 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 4 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.389761 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.546832 celldm(5)= -0.546832 celldm(6)= 0.093663 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.093663 0.995604 0.000000 ) a(3) = ( -0.546832 -0.497802 0.673178 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.094077 0.742746 ) b(2) = ( 0.000000 1.004415 0.742746 ) b(3) = ( 0.000000 0.000000 1.485492 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 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 Zn read from file: /users/gautes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Li 3.00 6.94100 Li( 1.00) Zn 12.00 65.40900 Zn( 1.00) P 5.00 30.97380 P( 1.00) No symmetry 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 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E Cartesian axes number of k points= 290 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 2) = ( 0.0000000 0.0000000 0.0190448), wk = 0.0034483 k( 3) = ( 0.0000000 0.0000000 0.0380895), wk = 0.0034483 k( 4) = ( 0.0000000 0.0000000 0.0571343), wk = 0.0034483 k( 5) = ( 0.0000000 0.0000000 0.0761791), wk = 0.0034483 k( 6) = ( 0.0000000 0.0000000 0.0952238), wk = 0.0034483 k( 7) = ( 0.0000000 0.0000000 0.1142686), wk = 0.0034483 k( 8) = ( 0.0000000 0.0000000 0.1333134), wk = 0.0034483 k( 9) = ( 0.0000000 0.0000000 0.1523581), wk = 0.0034483 k( 10) = ( 0.0000000 0.0000000 0.1714029), wk = 0.0034483 k( 11) = ( 0.0000000 0.0000000 0.1904477), wk = 0.0034483 k( 12) = ( 0.0000000 0.0000000 0.2094924), wk = 0.0034483 k( 13) = ( 0.0000000 0.0000000 0.2285372), wk = 0.0034483 k( 14) = ( 0.0000000 0.0000000 0.2475820), wk = 0.0034483 k( 15) = ( 0.0000000 0.0000000 0.2666267), wk = 0.0034483 k( 16) = ( 0.0000000 0.0000000 0.2856715), wk = 0.0034483 k( 17) = ( 0.0000000 0.0000000 0.3047163), wk = 0.0034483 k( 18) = ( 0.0000000 0.0000000 0.3237610), wk = 0.0034483 k( 19) = ( 0.0000000 0.0000000 0.3428058), wk = 0.0034483 k( 20) = ( 0.0000000 0.0000000 0.3618505), wk = 0.0034483 k( 21) = ( 0.0000000 0.0000000 0.3808953), wk = 0.0034483 k( 22) = ( 0.0000000 0.0000000 0.3999401), wk = 0.0034483 k( 23) = ( 0.0000000 0.0000000 0.4189848), wk = 0.0034483 k( 24) = ( 0.0000000 0.0000000 0.4380296), wk = 0.0034483 k( 25) = ( 0.0000000 0.0000000 0.4570744), wk = 0.0034483 k( 26) = ( 0.0000000 0.0000000 0.4761191), wk = 0.0034483 k( 27) = ( 0.0000000 0.0000000 0.4951639), wk = 0.0034483 k( 28) = ( 0.0000000 0.0000000 0.5142087), wk = 0.0034483 k( 29) = ( 0.0000000 0.0000000 0.5332534), wk = 0.0034483 k( 30) = ( 0.0000000 0.0000000 0.5522982), wk = 0.0034483 k( 31) = ( 0.0000000 0.0000000 0.5713430), wk = 0.0034483 k( 32) = ( 0.0000000 0.0000000 0.5903877), wk = 0.0034483 k( 33) = ( 0.0000000 0.0000000 0.6094325), wk = 0.0034483 k( 34) = ( 0.0000000 0.0000000 0.6284773), wk = 0.0034483 k( 35) = ( 0.0000000 0.0000000 0.6475220), wk = 0.0034483 k( 36) = ( 0.0000000 0.0000000 0.6665668), wk = 0.0034483 k( 37) = ( 0.0000000 0.0000000 0.6856116), wk = 0.0034483 k( 38) = ( 0.0000000 0.0000000 0.7046563), wk = 0.0034483 k( 39) = ( 0.0000000 0.0000000 0.7237011), wk = 0.0034483 k( 40) = ( 0.0000000 0.0000000 0.7427459), wk = 0.0034483 k( 41) = ( 0.0000000 0.0000000 0.7427459), wk = 0.0034483 k( 42) = ( -0.0121870 0.0133873 0.7427459), wk = 0.0034483 k( 43) = ( -0.0243740 0.0267747 0.7427459), wk = 0.0034483 k( 44) = ( -0.0365610 0.0401620 0.7427459), wk = 0.0034483 k( 45) = ( -0.0487480 0.0535493 0.7427459), wk = 0.0034483 k( 46) = ( -0.0609350 0.0669367 0.7427459), wk = 0.0034483 k( 47) = ( -0.0731220 0.0803240 0.7427459), wk = 0.0034483 k( 48) = ( -0.0853090 0.0937113 0.7427459), wk = 0.0034483 k( 49) = ( -0.0974960 0.1070986 0.7427459), wk = 0.0034483 k( 50) = ( -0.1096830 0.1204860 0.7427459), wk = 0.0034483 k( 51) = ( -0.1218700 0.1338733 0.7427459), wk = 0.0034483 k( 52) = ( -0.1340570 0.1472606 0.7427459), wk = 0.0034483 k( 53) = ( -0.1462440 0.1606480 0.7427459), wk = 0.0034483 k( 54) = ( -0.1584310 0.1740353 0.7427459), wk = 0.0034483 k( 55) = ( -0.1706180 0.1874226 0.7427459), wk = 0.0034483 k( 56) = ( -0.1828050 0.2008100 0.7427459), wk = 0.0034483 k( 57) = ( -0.1949920 0.2141973 0.7427459), wk = 0.0034483 k( 58) = ( -0.2071791 0.2275846 0.7427459), wk = 0.0034483 k( 59) = ( -0.2071791 0.2275846 0.7427459), wk = 0.0034483 k( 60) = ( -0.2157914 0.2370453 0.7299523), wk = 0.0034483 k( 61) = ( -0.2244038 0.2465059 0.7171586), wk = 0.0034483 k( 62) = ( -0.2330162 0.2559665 0.7043650), wk = 0.0034483 k( 63) = ( -0.2416286 0.2654272 0.6915714), wk = 0.0034483 k( 64) = ( -0.2502410 0.2748878 0.6787778), wk = 0.0034483 k( 65) = ( -0.2588533 0.2843484 0.6659841), wk = 0.0034483 k( 66) = ( -0.2674657 0.2938091 0.6531905), wk = 0.0034483 k( 67) = ( -0.2760781 0.3032697 0.6403969), wk = 0.0034483 k( 68) = ( -0.2846905 0.3127304 0.6276033), wk = 0.0034483 k( 69) = ( -0.2933029 0.3221910 0.6148097), wk = 0.0034483 k( 70) = ( -0.3019152 0.3316516 0.6020160), wk = 0.0034483 k( 71) = ( -0.3105276 0.3411123 0.5892224), wk = 0.0034483 k( 72) = ( -0.3191400 0.3505729 0.5764288), wk = 0.0034483 k( 73) = ( -0.3277524 0.3600335 0.5636352), wk = 0.0034483 k( 74) = ( -0.3363648 0.3694942 0.5508416), wk = 0.0034483 k( 75) = ( -0.3449771 0.3789548 0.5380479), wk = 0.0034483 k( 76) = ( -0.3535895 0.3884154 0.5252543), wk = 0.0034483 k( 77) = ( -0.3535895 0.3884154 0.5252543), wk = 0.0034483 k( 78) = ( -0.3445231 0.3784561 0.5117863), wk = 0.0034483 k( 79) = ( -0.3354567 0.3684967 0.4983182), wk = 0.0034483 k( 80) = ( -0.3263903 0.3585373 0.4848501), wk = 0.0034483 k( 81) = ( -0.3173239 0.3485780 0.4713821), wk = 0.0034483 k( 82) = ( -0.3082575 0.3386186 0.4579140), wk = 0.0034483 k( 83) = ( -0.2991911 0.3286592 0.4444460), wk = 0.0034483 k( 84) = ( -0.2901247 0.3186998 0.4309779), wk = 0.0034483 k( 85) = ( -0.2810583 0.3087405 0.4175098), wk = 0.0034483 k( 86) = ( -0.2719919 0.2987811 0.4040418), wk = 0.0034483 k( 87) = ( -0.2629255 0.2888217 0.3905737), wk = 0.0034483 k( 88) = ( -0.2538591 0.2788624 0.3771057), wk = 0.0034483 k( 89) = ( -0.2447928 0.2689030 0.3636376), wk = 0.0034483 k( 90) = ( -0.2357264 0.2589436 0.3501695), wk = 0.0034483 k( 91) = ( -0.2266599 0.2489843 0.3367015), wk = 0.0034483 k( 92) = ( -0.2175935 0.2390249 0.3232334), wk = 0.0034483 k( 93) = ( -0.2085272 0.2290655 0.3097654), wk = 0.0034483 k( 94) = ( -0.1994608 0.2191061 0.2962973), wk = 0.0034483 k( 95) = ( -0.1903944 0.2091468 0.2828293), wk = 0.0034483 k( 96) = ( -0.1813280 0.1991874 0.2693612), wk = 0.0034483 k( 97) = ( -0.1722616 0.1892280 0.2558931), wk = 0.0034483 k( 98) = ( -0.1631952 0.1792687 0.2424251), wk = 0.0034483 k( 99) = ( -0.1541288 0.1693093 0.2289570), wk = 0.0034483 k( 100) = ( -0.1450624 0.1593499 0.2154890), wk = 0.0034483 k( 101) = ( -0.1359960 0.1493906 0.2020209), wk = 0.0034483 k( 102) = ( -0.1269296 0.1394312 0.1885528), wk = 0.0034483 k( 103) = ( -0.1178632 0.1294718 0.1750848), wk = 0.0034483 k( 104) = ( -0.1087968 0.1195124 0.1616167), wk = 0.0034483 k( 105) = ( -0.0997304 0.1095531 0.1481487), wk = 0.0034483 k( 106) = ( -0.0906640 0.0995937 0.1346806), wk = 0.0034483 k( 107) = ( -0.0815976 0.0896343 0.1212125), wk = 0.0034483 k( 108) = ( -0.0725312 0.0796750 0.1077445), wk = 0.0034483 k( 109) = ( -0.0634648 0.0697156 0.0942764), wk = 0.0034483 k( 110) = ( -0.0543984 0.0597562 0.0808084), wk = 0.0034483 k( 111) = ( -0.0453320 0.0497969 0.0673403), wk = 0.0034483 k( 112) = ( -0.0362656 0.0398375 0.0538722), wk = 0.0034483 k( 113) = ( -0.0271992 0.0298781 0.0404042), wk = 0.0034483 k( 114) = ( -0.0181328 0.0199187 0.0269361), wk = 0.0034483 k( 115) = ( -0.0090664 0.0099594 0.0134681), wk = 0.0034483 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 118) = ( 0.0138889 0.0126436 0.0000000), wk = 0.0034483 k( 119) = ( 0.0277778 0.0252872 0.0000000), wk = 0.0034483 k( 120) = ( 0.0416667 0.0379308 0.0000000), wk = 0.0034483 k( 121) = ( 0.0555556 0.0505744 0.0000000), wk = 0.0034483 k( 122) = ( 0.0694444 0.0632179 0.0000000), wk = 0.0034483 k( 123) = ( 0.0833333 0.0758615 0.0000000), wk = 0.0034483 k( 124) = ( 0.0972222 0.0885051 0.0000000), wk = 0.0034483 k( 125) = ( 0.1111111 0.1011487 0.0000000), wk = 0.0034483 k( 126) = ( 0.1250000 0.1137923 0.0000000), wk = 0.0034483 k( 127) = ( 0.1388889 0.1264359 0.0000000), wk = 0.0034483 k( 128) = ( 0.1527778 0.1390795 0.0000000), wk = 0.0034483 k( 129) = ( 0.1666667 0.1517231 0.0000000), wk = 0.0034483 k( 130) = ( 0.1805556 0.1643667 0.0000000), wk = 0.0034483 k( 131) = ( 0.1944444 0.1770103 0.0000000), wk = 0.0034483 k( 132) = ( 0.2083333 0.1896539 0.0000000), wk = 0.0034483 k( 133) = ( 0.2222222 0.2022974 0.0000000), wk = 0.0034483 k( 134) = ( 0.2361111 0.2149410 0.0000000), wk = 0.0034483 k( 135) = ( 0.2500000 0.2275846 0.0000000), wk = 0.0034483 k( 136) = ( 0.2638889 0.2402282 0.0000000), wk = 0.0034483 k( 137) = ( 0.2777778 0.2528718 0.0000000), wk = 0.0034483 k( 138) = ( 0.2916667 0.2655154 0.0000000), wk = 0.0034483 k( 139) = ( 0.3055556 0.2781590 0.0000000), wk = 0.0034483 k( 140) = ( 0.3194444 0.2908026 0.0000000), wk = 0.0034483 k( 141) = ( 0.3333333 0.3034462 0.0000000), wk = 0.0034483 k( 142) = ( 0.3472222 0.3160898 0.0000000), wk = 0.0034483 k( 143) = ( 0.3611111 0.3287333 0.0000000), wk = 0.0034483 k( 144) = ( 0.3750000 0.3413769 0.0000000), wk = 0.0034483 k( 145) = ( 0.3888889 0.3540205 0.0000000), wk = 0.0034483 k( 146) = ( 0.4027778 0.3666641 0.0000000), wk = 0.0034483 k( 147) = ( 0.4166667 0.3793077 0.0000000), wk = 0.0034483 k( 148) = ( 0.4305556 0.3919513 0.0000000), wk = 0.0034483 k( 149) = ( 0.4444444 0.4045949 0.0000000), wk = 0.0034483 k( 150) = ( 0.4583333 0.4172385 0.0000000), wk = 0.0034483 k( 151) = ( 0.4722222 0.4298821 0.0000000), wk = 0.0034483 k( 152) = ( 0.4861111 0.4425257 0.0000000), wk = 0.0034483 k( 153) = ( 0.5000000 0.4551693 0.0000000), wk = 0.0034483 k( 154) = ( 0.5000000 0.4551693 0.0000000), wk = 0.0034483 k( 155) = ( 0.4913876 0.4646299 0.0127936), wk = 0.0034483 k( 156) = ( 0.4827752 0.4740905 0.0255872), wk = 0.0034483 k( 157) = ( 0.4741629 0.4835512 0.0383809), wk = 0.0034483 k( 158) = ( 0.4655505 0.4930118 0.0511745), wk = 0.0034483 k( 159) = ( 0.4569381 0.5024724 0.0639681), wk = 0.0034483 k( 160) = ( 0.4483257 0.5119331 0.0767617), wk = 0.0034483 k( 161) = ( 0.4397133 0.5213937 0.0895554), wk = 0.0034483 k( 162) = ( 0.4311009 0.5308543 0.1023490), wk = 0.0034483 k( 163) = ( 0.4224886 0.5403150 0.1151426), wk = 0.0034483 k( 164) = ( 0.4138762 0.5497756 0.1279362), wk = 0.0034483 k( 165) = ( 0.4052638 0.5592362 0.1407298), wk = 0.0034483 k( 166) = ( 0.3966514 0.5686969 0.1535234), wk = 0.0034483 k( 167) = ( 0.3880390 0.5781575 0.1663171), wk = 0.0034483 k( 168) = ( 0.3794267 0.5876181 0.1791107), wk = 0.0034483 k( 169) = ( 0.3708143 0.5970788 0.1919043), wk = 0.0034483 k( 170) = ( 0.3622019 0.6065394 0.2046979), wk = 0.0034483 k( 171) = ( 0.3535895 0.6160001 0.2174916), wk = 0.0034483 k( 172) = ( 0.3535895 0.6160001 0.2174916), wk = 0.0034483 k( 173) = ( 0.3367519 0.6105814 0.2248192), wk = 0.0034483 k( 174) = ( 0.3199143 0.6051627 0.2321469), wk = 0.0034483 k( 175) = ( 0.3030767 0.5997440 0.2394746), wk = 0.0034483 k( 176) = ( 0.2862391 0.5943253 0.2468023), wk = 0.0034483 k( 177) = ( 0.2694015 0.5889067 0.2541300), wk = 0.0034483 k( 178) = ( 0.2525639 0.5834880 0.2614577), wk = 0.0034483 k( 179) = ( 0.2357264 0.5780693 0.2687853), wk = 0.0034483 k( 180) = ( 0.2188887 0.5726506 0.2761130), wk = 0.0034483 k( 181) = ( 0.2020512 0.5672319 0.2834407), wk = 0.0034483 k( 182) = ( 0.1852136 0.5618132 0.2907684), wk = 0.0034483 k( 183) = ( 0.1683760 0.5563946 0.2980961), wk = 0.0034483 k( 184) = ( 0.1515384 0.5509759 0.3054238), wk = 0.0034483 k( 185) = ( 0.1347008 0.5455572 0.3127515), wk = 0.0034483 k( 186) = ( 0.1178632 0.5401385 0.3200791), wk = 0.0034483 k( 187) = ( 0.1010256 0.5347198 0.3274068), wk = 0.0034483 k( 188) = ( 0.0841880 0.5293012 0.3347345), wk = 0.0034483 k( 189) = ( 0.0673504 0.5238825 0.3420622), wk = 0.0034483 k( 190) = ( 0.0505128 0.5184638 0.3493899), wk = 0.0034483 k( 191) = ( 0.0336752 0.5130451 0.3567176), wk = 0.0034483 k( 192) = ( 0.0168376 0.5076264 0.3640453), wk = 0.0034483 k( 193) = ( 0.0000000 0.5022077 0.3713729), wk = 0.0034483 k( 194) = ( 0.0000000 0.5022077 0.3713729), wk = 0.0034483 k( 195) = ( 0.0089286 0.4923998 0.3846363), wk = 0.0034483 k( 196) = ( 0.0178571 0.4825918 0.3978996), wk = 0.0034483 k( 197) = ( 0.0267857 0.4727838 0.4111629), wk = 0.0034483 k( 198) = ( 0.0357143 0.4629759 0.4244262), wk = 0.0034483 k( 199) = ( 0.0446429 0.4531679 0.4376895), wk = 0.0034483 k( 200) = ( 0.0535714 0.4433599 0.4509529), wk = 0.0034483 k( 201) = ( 0.0625000 0.4335520 0.4642162), wk = 0.0034483 k( 202) = ( 0.0714286 0.4237440 0.4774795), wk = 0.0034483 k( 203) = ( 0.0803571 0.4139360 0.4907428), wk = 0.0034483 k( 204) = ( 0.0892857 0.4041281 0.5040061), wk = 0.0034483 k( 205) = ( 0.0982143 0.3943201 0.5172695), wk = 0.0034483 k( 206) = ( 0.1071429 0.3845121 0.5305328), wk = 0.0034483 k( 207) = ( 0.1160714 0.3747042 0.5437961), wk = 0.0034483 k( 208) = ( 0.1250000 0.3648962 0.5570594), wk = 0.0034483 k( 209) = ( 0.1339286 0.3550882 0.5703227), wk = 0.0034483 k( 210) = ( 0.1428571 0.3452803 0.5835860), wk = 0.0034483 k( 211) = ( 0.1517857 0.3354723 0.5968494), wk = 0.0034483 k( 212) = ( 0.1607143 0.3256643 0.6101127), wk = 0.0034483 k( 213) = ( 0.1696429 0.3158563 0.6233760), wk = 0.0034483 k( 214) = ( 0.1785714 0.3060484 0.6366393), wk = 0.0034483 k( 215) = ( 0.1875000 0.2962404 0.6499026), wk = 0.0034483 k( 216) = ( 0.1964286 0.2864324 0.6631660), wk = 0.0034483 k( 217) = ( 0.2053571 0.2766245 0.6764293), wk = 0.0034483 k( 218) = ( 0.2142857 0.2668165 0.6896926), wk = 0.0034483 k( 219) = ( 0.2232143 0.2570085 0.7029559), wk = 0.0034483 k( 220) = ( 0.2321429 0.2472006 0.7162192), wk = 0.0034483 k( 221) = ( 0.2410714 0.2373926 0.7294826), wk = 0.0034483 k( 222) = ( 0.2500000 0.2275846 0.7427459), wk = 0.0034483 k( 223) = ( 0.2500000 0.2275846 0.7427459), wk = 0.0034483 k( 224) = ( 0.2604167 0.2370673 0.7299224), wk = 0.0034483 k( 225) = ( 0.2708333 0.2465500 0.7170990), wk = 0.0034483 k( 226) = ( 0.2812500 0.2560327 0.7042755), wk = 0.0034483 k( 227) = ( 0.2916667 0.2655154 0.6914521), wk = 0.0034483 k( 228) = ( 0.3020833 0.2749981 0.6786286), wk = 0.0034483 k( 229) = ( 0.3125000 0.2844808 0.6658052), wk = 0.0034483 k( 230) = ( 0.3229167 0.2939635 0.6529817), wk = 0.0034483 k( 231) = ( 0.3333333 0.3034462 0.6401583), wk = 0.0034483 k( 232) = ( 0.3437500 0.3129289 0.6273348), wk = 0.0034483 k( 233) = ( 0.3541667 0.3224116 0.6145114), wk = 0.0034483 k( 234) = ( 0.3645833 0.3318942 0.6016879), wk = 0.0034483 k( 235) = ( 0.3750000 0.3413769 0.5888645), wk = 0.0034483 k( 236) = ( 0.3854167 0.3508596 0.5760410), wk = 0.0034483 k( 237) = ( 0.3958333 0.3603423 0.5632176), wk = 0.0034483 k( 238) = ( 0.4062500 0.3698250 0.5503942), wk = 0.0034483 k( 239) = ( 0.4166667 0.3793077 0.5375707), wk = 0.0034483 k( 240) = ( 0.4270833 0.3887904 0.5247472), wk = 0.0034483 k( 241) = ( 0.4375000 0.3982731 0.5119238), wk = 0.0034483 k( 242) = ( 0.4479167 0.4077558 0.4991004), wk = 0.0034483 k( 243) = ( 0.4583333 0.4172385 0.4862769), wk = 0.0034483 k( 244) = ( 0.4687500 0.4267212 0.4734534), wk = 0.0034483 k( 245) = ( 0.4791667 0.4362039 0.4606300), wk = 0.0034483 k( 246) = ( 0.4895833 0.4456866 0.4478066), wk = 0.0034483 k( 247) = ( 0.5000000 0.4551693 0.4349831), wk = 0.0034483 k( 248) = ( 0.5000000 0.4551693 0.4349831), wk = 0.0034483 k( 249) = ( 0.5000000 0.4551693 0.4160708), wk = 0.0034483 k( 250) = ( 0.5000000 0.4551693 0.3971585), wk = 0.0034483 k( 251) = ( 0.5000000 0.4551693 0.3782462), wk = 0.0034483 k( 252) = ( 0.5000000 0.4551693 0.3593339), wk = 0.0034483 k( 253) = ( 0.5000000 0.4551693 0.3404216), wk = 0.0034483 k( 254) = ( 0.5000000 0.4551693 0.3215093), wk = 0.0034483 k( 255) = ( 0.5000000 0.4551693 0.3025969), wk = 0.0034483 k( 256) = ( 0.5000000 0.4551693 0.2836846), wk = 0.0034483 k( 257) = ( 0.5000000 0.4551693 0.2647723), wk = 0.0034483 k( 258) = ( 0.5000000 0.4551693 0.2458600), wk = 0.0034483 k( 259) = ( 0.5000000 0.4551693 0.2269477), wk = 0.0034483 k( 260) = ( 0.5000000 0.4551693 0.2080354), wk = 0.0034483 k( 261) = ( 0.5000000 0.4551693 0.1891231), wk = 0.0034483 k( 262) = ( 0.5000000 0.4551693 0.1702108), wk = 0.0034483 k( 263) = ( 0.5000000 0.4551693 0.1512985), wk = 0.0034483 k( 264) = ( 0.5000000 0.4551693 0.1323862), wk = 0.0034483 k( 265) = ( 0.5000000 0.4551693 0.1134738), wk = 0.0034483 k( 266) = ( 0.5000000 0.4551693 0.0945615), wk = 0.0034483 k( 267) = ( 0.5000000 0.4551693 0.0756492), wk = 0.0034483 k( 268) = ( 0.5000000 0.4551693 0.0567369), wk = 0.0034483 k( 269) = ( 0.5000000 0.4551693 0.0378246), wk = 0.0034483 k( 270) = ( 0.5000000 0.4551693 0.0189123), wk = 0.0034483 k( 271) = ( 0.5000000 0.4551693 0.0000000), wk = 0.0034483 k( 272) = ( 0.0000000 0.0000000 0.7427459), wk = 0.0034483 k( 273) = ( 0.0138889 0.0126436 0.7427459), wk = 0.0034483 k( 274) = ( 0.0277778 0.0252872 0.7427459), wk = 0.0034483 k( 275) = ( 0.0416667 0.0379308 0.7427459), wk = 0.0034483 k( 276) = ( 0.0555556 0.0505744 0.7427459), wk = 0.0034483 k( 277) = ( 0.0694444 0.0632179 0.7427459), wk = 0.0034483 k( 278) = ( 0.0833333 0.0758615 0.7427459), wk = 0.0034483 k( 279) = ( 0.0972222 0.0885051 0.7427459), wk = 0.0034483 k( 280) = ( 0.1111111 0.1011487 0.7427459), wk = 0.0034483 k( 281) = ( 0.1250000 0.1137923 0.7427459), wk = 0.0034483 k( 282) = ( 0.1388889 0.1264359 0.7427459), wk = 0.0034483 k( 283) = ( 0.1527778 0.1390795 0.7427459), wk = 0.0034483 k( 284) = ( 0.1666667 0.1517231 0.7427459), wk = 0.0034483 k( 285) = ( 0.1805556 0.1643667 0.7427459), wk = 0.0034483 k( 286) = ( 0.1944444 0.1770103 0.7427459), wk = 0.0034483 k( 287) = ( 0.2083333 0.1896539 0.7427459), wk = 0.0034483 k( 288) = ( 0.2222222 0.2022974 0.7427459), wk = 0.0034483 k( 289) = ( 0.2361111 0.2149410 0.7427459), wk = 0.0034483 k( 290) = ( 0.2500000 0.2275846 0.7427459), wk = 0.0034483 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 2) = ( 0.0000000 0.0000000 0.0128205), wk = 0.0034483 k( 3) = ( 0.0000000 0.0000000 0.0256410), wk = 0.0034483 k( 4) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0034483 k( 5) = ( 0.0000000 0.0000000 0.0512821), wk = 0.0034483 k( 6) = ( 0.0000000 0.0000000 0.0641026), wk = 0.0034483 k( 7) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0034483 k( 8) = ( 0.0000000 0.0000000 0.0897436), wk = 0.0034483 k( 9) = ( 0.0000000 0.0000000 0.1025641), wk = 0.0034483 k( 10) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0034483 k( 11) = ( 0.0000000 0.0000000 0.1282051), wk = 0.0034483 k( 12) = ( 0.0000000 0.0000000 0.1410256), wk = 0.0034483 k( 13) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0034483 k( 14) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0034483 k( 15) = ( 0.0000000 0.0000000 0.1794872), wk = 0.0034483 k( 16) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0034483 k( 17) = ( 0.0000000 0.0000000 0.2051282), wk = 0.0034483 k( 18) = ( 0.0000000 0.0000000 0.2179487), wk = 0.0034483 k( 19) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0034483 k( 20) = ( 0.0000000 0.0000000 0.2435897), wk = 0.0034483 k( 21) = ( 0.0000000 0.0000000 0.2564103), wk = 0.0034483 k( 22) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0034483 k( 23) = ( 0.0000000 0.0000000 0.2820513), wk = 0.0034483 k( 24) = ( 0.0000000 0.0000000 0.2948718), wk = 0.0034483 k( 25) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0034483 k( 26) = ( 0.0000000 0.0000000 0.3205128), wk = 0.0034483 k( 27) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0034483 k( 28) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0034483 k( 29) = ( 0.0000000 0.0000000 0.3589744), wk = 0.0034483 k( 30) = ( 0.0000000 0.0000000 0.3717949), wk = 0.0034483 k( 31) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0034483 k( 32) = ( 0.0000000 0.0000000 0.3974359), wk = 0.0034483 k( 33) = ( 0.0000000 0.0000000 0.4102564), wk = 0.0034483 k( 34) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0034483 k( 35) = ( 0.0000000 0.0000000 0.4358974), wk = 0.0034483 k( 36) = ( 0.0000000 0.0000000 0.4487179), wk = 0.0034483 k( 37) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0034483 k( 38) = ( 0.0000000 0.0000000 0.4743590), wk = 0.0034483 k( 39) = ( 0.0000000 0.0000000 0.4871795), wk = 0.0034483 k( 40) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034483 k( 41) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034483 k( 42) = ( -0.0121870 0.0121870 0.5000000), wk = 0.0034483 k( 43) = ( -0.0243740 0.0243740 0.5000000), wk = 0.0034483 k( 44) = ( -0.0365610 0.0365610 0.5000000), wk = 0.0034483 k( 45) = ( -0.0487480 0.0487480 0.5000000), wk = 0.0034483 k( 46) = ( -0.0609350 0.0609350 0.5000000), wk = 0.0034483 k( 47) = ( -0.0731220 0.0731220 0.5000000), wk = 0.0034483 k( 48) = ( -0.0853090 0.0853090 0.5000000), wk = 0.0034483 k( 49) = ( -0.0974960 0.0974960 0.5000000), wk = 0.0034483 k( 50) = ( -0.1096830 0.1096830 0.5000000), wk = 0.0034483 k( 51) = ( -0.1218700 0.1218700 0.5000000), wk = 0.0034483 k( 52) = ( -0.1340570 0.1340570 0.5000000), wk = 0.0034483 k( 53) = ( -0.1462440 0.1462440 0.5000000), wk = 0.0034483 k( 54) = ( -0.1584310 0.1584310 0.5000000), wk = 0.0034483 k( 55) = ( -0.1706180 0.1706180 0.5000000), wk = 0.0034483 k( 56) = ( -0.1828050 0.1828050 0.5000000), wk = 0.0034483 k( 57) = ( -0.1949920 0.1949920 0.5000000), wk = 0.0034483 k( 58) = ( -0.2071791 0.2071791 0.5000000), wk = 0.0034483 k( 59) = ( -0.2071791 0.2071791 0.5000000), wk = 0.0034483 k( 60) = ( -0.2157914 0.2157914 0.4913876), wk = 0.0034483 k( 61) = ( -0.2244038 0.2244038 0.4827752), wk = 0.0034483 k( 62) = ( -0.2330162 0.2330162 0.4741629), wk = 0.0034483 k( 63) = ( -0.2416286 0.2416286 0.4655505), wk = 0.0034483 k( 64) = ( -0.2502410 0.2502410 0.4569381), wk = 0.0034483 k( 65) = ( -0.2588533 0.2588533 0.4483257), wk = 0.0034483 k( 66) = ( -0.2674657 0.2674657 0.4397133), wk = 0.0034483 k( 67) = ( -0.2760781 0.2760781 0.4311009), wk = 0.0034483 k( 68) = ( -0.2846905 0.2846905 0.4224886), wk = 0.0034483 k( 69) = ( -0.2933029 0.2933029 0.4138762), wk = 0.0034483 k( 70) = ( -0.3019152 0.3019152 0.4052638), wk = 0.0034483 k( 71) = ( -0.3105276 0.3105276 0.3966514), wk = 0.0034483 k( 72) = ( -0.3191400 0.3191400 0.3880390), wk = 0.0034483 k( 73) = ( -0.3277524 0.3277524 0.3794267), wk = 0.0034483 k( 74) = ( -0.3363648 0.3363648 0.3708143), wk = 0.0034483 k( 75) = ( -0.3449771 0.3449771 0.3622019), wk = 0.0034483 k( 76) = ( -0.3535895 0.3535895 0.3535895), wk = 0.0034483 k( 77) = ( -0.3535895 0.3535895 0.3535895), wk = 0.0034483 k( 78) = ( -0.3445231 0.3445231 0.3445231), wk = 0.0034483 k( 79) = ( -0.3354567 0.3354567 0.3354567), wk = 0.0034483 k( 80) = ( -0.3263903 0.3263903 0.3263903), wk = 0.0034483 k( 81) = ( -0.3173239 0.3173239 0.3173239), wk = 0.0034483 k( 82) = ( -0.3082575 0.3082575 0.3082575), wk = 0.0034483 k( 83) = ( -0.2991911 0.2991911 0.2991911), wk = 0.0034483 k( 84) = ( -0.2901247 0.2901247 0.2901247), wk = 0.0034483 k( 85) = ( -0.2810583 0.2810583 0.2810583), wk = 0.0034483 k( 86) = ( -0.2719919 0.2719919 0.2719919), wk = 0.0034483 k( 87) = ( -0.2629255 0.2629255 0.2629255), wk = 0.0034483 k( 88) = ( -0.2538591 0.2538591 0.2538591), wk = 0.0034483 k( 89) = ( -0.2447928 0.2447927 0.2447927), wk = 0.0034483 k( 90) = ( -0.2357264 0.2357264 0.2357263), wk = 0.0034483 k( 91) = ( -0.2266599 0.2266599 0.2266599), wk = 0.0034483 k( 92) = ( -0.2175935 0.2175935 0.2175935), wk = 0.0034483 k( 93) = ( -0.2085272 0.2085272 0.2085272), wk = 0.0034483 k( 94) = ( -0.1994608 0.1994608 0.1994608), wk = 0.0034483 k( 95) = ( -0.1903944 0.1903944 0.1903944), wk = 0.0034483 k( 96) = ( -0.1813280 0.1813280 0.1813280), wk = 0.0034483 k( 97) = ( -0.1722616 0.1722616 0.1722616), wk = 0.0034483 k( 98) = ( -0.1631952 0.1631952 0.1631952), wk = 0.0034483 k( 99) = ( -0.1541288 0.1541288 0.1541288), wk = 0.0034483 k( 100) = ( -0.1450624 0.1450624 0.1450624), wk = 0.0034483 k( 101) = ( -0.1359960 0.1359960 0.1359960), wk = 0.0034483 k( 102) = ( -0.1269296 0.1269296 0.1269296), wk = 0.0034483 k( 103) = ( -0.1178632 0.1178632 0.1178632), wk = 0.0034483 k( 104) = ( -0.1087968 0.1087968 0.1087968), wk = 0.0034483 k( 105) = ( -0.0997304 0.0997304 0.0997304), wk = 0.0034483 k( 106) = ( -0.0906640 0.0906640 0.0906640), wk = 0.0034483 k( 107) = ( -0.0815976 0.0815976 0.0815976), wk = 0.0034483 k( 108) = ( -0.0725312 0.0725312 0.0725312), wk = 0.0034483 k( 109) = ( -0.0634648 0.0634648 0.0634648), wk = 0.0034483 k( 110) = ( -0.0543984 0.0543984 0.0543984), wk = 0.0034483 k( 111) = ( -0.0453320 0.0453320 0.0453320), wk = 0.0034483 k( 112) = ( -0.0362656 0.0362656 0.0362656), wk = 0.0034483 k( 113) = ( -0.0271992 0.0271992 0.0271992), wk = 0.0034483 k( 114) = ( -0.0181328 0.0181328 0.0181328), wk = 0.0034483 k( 115) = ( -0.0090664 0.0090664 0.0090664), wk = 0.0034483 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 118) = ( 0.0138889 0.0138889 -0.0138889), wk = 0.0034483 k( 119) = ( 0.0277778 0.0277778 -0.0277778), wk = 0.0034483 k( 120) = ( 0.0416667 0.0416667 -0.0416667), wk = 0.0034483 k( 121) = ( 0.0555556 0.0555556 -0.0555556), wk = 0.0034483 k( 122) = ( 0.0694444 0.0694444 -0.0694444), wk = 0.0034483 k( 123) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0034483 k( 124) = ( 0.0972222 0.0972222 -0.0972222), wk = 0.0034483 k( 125) = ( 0.1111111 0.1111111 -0.1111111), wk = 0.0034483 k( 126) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0034483 k( 127) = ( 0.1388889 0.1388889 -0.1388889), wk = 0.0034483 k( 128) = ( 0.1527778 0.1527778 -0.1527778), wk = 0.0034483 k( 129) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0034483 k( 130) = ( 0.1805556 0.1805556 -0.1805556), wk = 0.0034483 k( 131) = ( 0.1944444 0.1944444 -0.1944444), wk = 0.0034483 k( 132) = ( 0.2083333 0.2083333 -0.2083333), wk = 0.0034483 k( 133) = ( 0.2222222 0.2222222 -0.2222222), wk = 0.0034483 k( 134) = ( 0.2361111 0.2361111 -0.2361111), wk = 0.0034483 k( 135) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0034483 k( 136) = ( 0.2638889 0.2638889 -0.2638889), wk = 0.0034483 k( 137) = ( 0.2777778 0.2777778 -0.2777778), wk = 0.0034483 k( 138) = ( 0.2916667 0.2916667 -0.2916667), wk = 0.0034483 k( 139) = ( 0.3055556 0.3055556 -0.3055556), wk = 0.0034483 k( 140) = ( 0.3194444 0.3194444 -0.3194444), wk = 0.0034483 k( 141) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0034483 k( 142) = ( 0.3472222 0.3472222 -0.3472222), wk = 0.0034483 k( 143) = ( 0.3611111 0.3611111 -0.3611111), wk = 0.0034483 k( 144) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0034483 k( 145) = ( 0.3888889 0.3888889 -0.3888889), wk = 0.0034483 k( 146) = ( 0.4027778 0.4027778 -0.4027778), wk = 0.0034483 k( 147) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0034483 k( 148) = ( 0.4305556 0.4305556 -0.4305556), wk = 0.0034483 k( 149) = ( 0.4444444 0.4444444 -0.4444444), wk = 0.0034483 k( 150) = ( 0.4583333 0.4583333 -0.4583333), wk = 0.0034483 k( 151) = ( 0.4722222 0.4722222 -0.4722222), wk = 0.0034483 k( 152) = ( 0.4861111 0.4861111 -0.4861111), wk = 0.0034483 k( 153) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0034483 k( 154) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0034483 k( 155) = ( 0.4913876 0.5086124 -0.4913876), wk = 0.0034483 k( 156) = ( 0.4827752 0.5172248 -0.4827752), wk = 0.0034483 k( 157) = ( 0.4741629 0.5258371 -0.4741629), wk = 0.0034483 k( 158) = ( 0.4655505 0.5344495 -0.4655505), wk = 0.0034483 k( 159) = ( 0.4569381 0.5430619 -0.4569381), wk = 0.0034483 k( 160) = ( 0.4483257 0.5516743 -0.4483257), wk = 0.0034483 k( 161) = ( 0.4397133 0.5602867 -0.4397133), wk = 0.0034483 k( 162) = ( 0.4311009 0.5688990 -0.4311009), wk = 0.0034483 k( 163) = ( 0.4224886 0.5775114 -0.4224886), wk = 0.0034483 k( 164) = ( 0.4138762 0.5861238 -0.4138762), wk = 0.0034483 k( 165) = ( 0.4052638 0.5947362 -0.4052638), wk = 0.0034483 k( 166) = ( 0.3966514 0.6033486 -0.3966514), wk = 0.0034483 k( 167) = ( 0.3880390 0.6119610 -0.3880391), wk = 0.0034483 k( 168) = ( 0.3794267 0.6205733 -0.3794267), wk = 0.0034483 k( 169) = ( 0.3708143 0.6291857 -0.3708143), wk = 0.0034483 k( 170) = ( 0.3622019 0.6377981 -0.3622019), wk = 0.0034483 k( 171) = ( 0.3535895 0.6464105 -0.3535895), wk = 0.0034483 k( 172) = ( 0.3535895 0.6464105 -0.3535895), wk = 0.0034483 k( 173) = ( 0.3367519 0.6394385 -0.3367519), wk = 0.0034483 k( 174) = ( 0.3199143 0.6324666 -0.3199143), wk = 0.0034483 k( 175) = ( 0.3030767 0.6254947 -0.3030767), wk = 0.0034483 k( 176) = ( 0.2862391 0.6185228 -0.2862391), wk = 0.0034483 k( 177) = ( 0.2694015 0.6115508 -0.2694015), wk = 0.0034483 k( 178) = ( 0.2525639 0.6045789 -0.2525640), wk = 0.0034483 k( 179) = ( 0.2357264 0.5976070 -0.2357264), wk = 0.0034483 k( 180) = ( 0.2188887 0.5906351 -0.2188887), wk = 0.0034483 k( 181) = ( 0.2020512 0.5836631 -0.2020512), wk = 0.0034483 k( 182) = ( 0.1852136 0.5766912 -0.1852136), wk = 0.0034483 k( 183) = ( 0.1683760 0.5697193 -0.1683760), wk = 0.0034483 k( 184) = ( 0.1515384 0.5627473 -0.1515384), wk = 0.0034483 k( 185) = ( 0.1347008 0.5557754 -0.1347008), wk = 0.0034483 k( 186) = ( 0.1178632 0.5488035 -0.1178632), wk = 0.0034483 k( 187) = ( 0.1010256 0.5418316 -0.1010256), wk = 0.0034483 k( 188) = ( 0.0841880 0.5348596 -0.0841880), wk = 0.0034483 k( 189) = ( 0.0673504 0.5278877 -0.0673504), wk = 0.0034483 k( 190) = ( 0.0505128 0.5209158 -0.0505128), wk = 0.0034483 k( 191) = ( 0.0336752 0.5139439 -0.0336752), wk = 0.0034483 k( 192) = ( 0.0168376 0.5069719 -0.0168376), wk = 0.0034483 k( 193) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034483 k( 194) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034483 k( 195) = ( 0.0089286 0.4910714 0.0089286), wk = 0.0034483 k( 196) = ( 0.0178571 0.4821429 0.0178571), wk = 0.0034483 k( 197) = ( 0.0267857 0.4732143 0.0267857), wk = 0.0034483 k( 198) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0034483 k( 199) = ( 0.0446429 0.4553571 0.0446429), wk = 0.0034483 k( 200) = ( 0.0535714 0.4464286 0.0535714), wk = 0.0034483 k( 201) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0034483 k( 202) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0034483 k( 203) = ( 0.0803571 0.4196429 0.0803571), wk = 0.0034483 k( 204) = ( 0.0892857 0.4107143 0.0892857), wk = 0.0034483 k( 205) = ( 0.0982143 0.4017857 0.0982143), wk = 0.0034483 k( 206) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0034483 k( 207) = ( 0.1160714 0.3839286 0.1160714), wk = 0.0034483 k( 208) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0034483 k( 209) = ( 0.1339286 0.3660714 0.1339286), wk = 0.0034483 k( 210) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0034483 k( 211) = ( 0.1517857 0.3482143 0.1517857), wk = 0.0034483 k( 212) = ( 0.1607143 0.3392857 0.1607143), wk = 0.0034483 k( 213) = ( 0.1696429 0.3303571 0.1696429), wk = 0.0034483 k( 214) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0034483 k( 215) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0034483 k( 216) = ( 0.1964286 0.3035714 0.1964286), wk = 0.0034483 k( 217) = ( 0.2053571 0.2946429 0.2053571), wk = 0.0034483 k( 218) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0034483 k( 219) = ( 0.2232143 0.2767857 0.2232143), wk = 0.0034483 k( 220) = ( 0.2321429 0.2678571 0.2321429), wk = 0.0034483 k( 221) = ( 0.2410714 0.2589286 0.2410714), wk = 0.0034483 k( 222) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034483 k( 223) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034483 k( 224) = ( 0.2604167 0.2604167 0.2309509), wk = 0.0034483 k( 225) = ( 0.2708333 0.2708333 0.2119017), wk = 0.0034483 k( 226) = ( 0.2812500 0.2812500 0.1928526), wk = 0.0034483 k( 227) = ( 0.2916667 0.2916667 0.1738035), wk = 0.0034483 k( 228) = ( 0.3020833 0.3020833 0.1547544), wk = 0.0034483 k( 229) = ( 0.3125000 0.3125000 0.1357052), wk = 0.0034483 k( 230) = ( 0.3229167 0.3229167 0.1166561), wk = 0.0034483 k( 231) = ( 0.3333333 0.3333333 0.0976070), wk = 0.0034483 k( 232) = ( 0.3437500 0.3437500 0.0785579), wk = 0.0034483 k( 233) = ( 0.3541667 0.3541667 0.0595087), wk = 0.0034483 k( 234) = ( 0.3645833 0.3645833 0.0404596), wk = 0.0034483 k( 235) = ( 0.3750000 0.3750000 0.0214105), wk = 0.0034483 k( 236) = ( 0.3854167 0.3854167 0.0023613), wk = 0.0034483 k( 237) = ( 0.3958333 0.3958333 -0.0166878), wk = 0.0034483 k( 238) = ( 0.4062500 0.4062500 -0.0357369), wk = 0.0034483 k( 239) = ( 0.4166667 0.4166667 -0.0547860), wk = 0.0034483 k( 240) = ( 0.4270833 0.4270833 -0.0738352), wk = 0.0034483 k( 241) = ( 0.4375000 0.4375000 -0.0928843), wk = 0.0034483 k( 242) = ( 0.4479167 0.4479167 -0.1119334), wk = 0.0034483 k( 243) = ( 0.4583333 0.4583333 -0.1309825), wk = 0.0034483 k( 244) = ( 0.4687500 0.4687500 -0.1500317), wk = 0.0034483 k( 245) = ( 0.4791667 0.4791667 -0.1690808), wk = 0.0034483 k( 246) = ( 0.4895833 0.4895833 -0.1881299), wk = 0.0034483 k( 247) = ( 0.5000000 0.5000000 -0.2071791), wk = 0.0034483 k( 248) = ( 0.5000000 0.5000000 -0.2071791), wk = 0.0034483 k( 249) = ( 0.5000000 0.5000000 -0.2199104), wk = 0.0034483 k( 250) = ( 0.5000000 0.5000000 -0.2326417), wk = 0.0034483 k( 251) = ( 0.5000000 0.5000000 -0.2453731), wk = 0.0034483 k( 252) = ( 0.5000000 0.5000000 -0.2581044), wk = 0.0034483 k( 253) = ( 0.5000000 0.5000000 -0.2708358), wk = 0.0034483 k( 254) = ( 0.5000000 0.5000000 -0.2835671), wk = 0.0034483 k( 255) = ( 0.5000000 0.5000000 -0.2962985), wk = 0.0034483 k( 256) = ( 0.5000000 0.5000000 -0.3090298), wk = 0.0034483 k( 257) = ( 0.5000000 0.5000000 -0.3217612), wk = 0.0034483 k( 258) = ( 0.5000000 0.5000000 -0.3344925), wk = 0.0034483 k( 259) = ( 0.5000000 0.5000000 -0.3472239), wk = 0.0034483 k( 260) = ( 0.5000000 0.5000000 -0.3599552), wk = 0.0034483 k( 261) = ( 0.5000000 0.5000000 -0.3726865), wk = 0.0034483 k( 262) = ( 0.5000000 0.5000000 -0.3854179), wk = 0.0034483 k( 263) = ( 0.5000000 0.5000000 -0.3981492), wk = 0.0034483 k( 264) = ( 0.5000000 0.5000000 -0.4108806), wk = 0.0034483 k( 265) = ( 0.5000000 0.5000000 -0.4236119), wk = 0.0034483 k( 266) = ( 0.5000000 0.5000000 -0.4363433), wk = 0.0034483 k( 267) = ( 0.5000000 0.5000000 -0.4490746), wk = 0.0034483 k( 268) = ( 0.5000000 0.5000000 -0.4618060), wk = 0.0034483 k( 269) = ( 0.5000000 0.5000000 -0.4745373), wk = 0.0034483 k( 270) = ( 0.5000000 0.5000000 -0.4872687), wk = 0.0034483 k( 271) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0034483 k( 272) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034483 k( 273) = ( 0.0138889 0.0138889 0.4861111), wk = 0.0034483 k( 274) = ( 0.0277778 0.0277778 0.4722222), wk = 0.0034483 k( 275) = ( 0.0416667 0.0416667 0.4583333), wk = 0.0034483 k( 276) = ( 0.0555556 0.0555556 0.4444444), wk = 0.0034483 k( 277) = ( 0.0694444 0.0694444 0.4305556), wk = 0.0034483 k( 278) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0034483 k( 279) = ( 0.0972222 0.0972222 0.4027778), wk = 0.0034483 k( 280) = ( 0.1111111 0.1111111 0.3888889), wk = 0.0034483 k( 281) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0034483 k( 282) = ( 0.1388889 0.1388889 0.3611111), wk = 0.0034483 k( 283) = ( 0.1527778 0.1527778 0.3472222), wk = 0.0034483 k( 284) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0034483 k( 285) = ( 0.1805556 0.1805556 0.3194444), wk = 0.0034483 k( 286) = ( 0.1944444 0.1944444 0.3055556), wk = 0.0034483 k( 287) = ( 0.2083333 0.2083333 0.2916667), wk = 0.0034483 k( 288) = ( 0.2222222 0.2222222 0.2777778), wk = 0.0034483 k( 289) = ( 0.2361111 0.2361111 0.2638889), wk = 0.0034483 k( 290) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034483 Dense grid: 139915 G-vectors FFT dimensions: ( 75, 75, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.78 Mb ( 988, 52) NL pseudopotentials 1.64 Mb ( 494, 218) Each V/rho on FFT grid 0.26 Mb ( 16875) Each G-vector array 0.03 Mb ( 3886) G-vector shells 0.01 Mb ( 1758) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 3.14 Mb ( 988, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.35 Mb ( 218, 2, 52) The potential is recalculated from file : ./LiZnPS4.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.5 secs Computing kpt #: 2 total cpu time spent up to now is 7.0 secs Computing kpt #: 3 total cpu time spent up to now is 8.6 secs Computing kpt #: 4 total cpu time spent up to now is 10.2 secs Computing kpt #: 5 total cpu time spent up to now is 11.8 secs Computing kpt #: 6 total cpu time spent up to now is 13.4 secs Computing kpt #: 7 total cpu time spent up to now is 15.0 secs Computing kpt #: 8 total cpu time spent up to now is 16.6 secs Computing kpt #: 9 total cpu time spent up to now is 18.2 secs Computing kpt #: 10 total cpu time spent up to now is 19.8 secs Computing kpt #: 11 total cpu time spent up to now is 21.4 secs Computing kpt #: 12 total cpu time spent up to now is 23.0 secs Computing kpt #: 13 total cpu time spent up to now is 24.6 secs Computing kpt #: 14 total cpu time spent up to now is 26.2 secs Computing kpt #: 15 total cpu time spent up to now is 27.8 secs Computing kpt #: 16 total cpu time spent up to now is 29.4 secs Computing kpt #: 17 total cpu time spent up to now is 31.0 secs Computing kpt #: 18 total cpu time spent up to now is 32.5 secs Computing kpt #: 19 total cpu time spent up to now is 34.1 secs Computing kpt #: 20 total cpu time spent up to now is 35.7 secs Computing kpt #: 21 total cpu time spent up to now is 37.2 secs Computing kpt #: 22 total cpu time spent up to now is 38.8 secs Computing kpt #: 23 total cpu time spent up to now is 40.4 secs Computing kpt #: 24 total cpu time spent up to now is 42.0 secs Computing kpt #: 25 total cpu time spent up to now is 43.5 secs Computing kpt #: 26 total cpu time spent up to now is 45.0 secs Computing kpt #: 27 total cpu time spent up to now is 46.6 secs Computing kpt #: 28 total cpu time spent up to now is 48.1 secs Computing kpt #: 29 total cpu time spent up to now is 49.6 secs Computing kpt #: 30 total cpu time spent up to now is 51.2 secs Computing kpt #: 31 total cpu time spent up to now is 52.7 secs Computing kpt #: 32 total cpu time spent up to now is 54.2 secs Computing kpt #: 33 total cpu time spent up to now is 55.8 secs Computing kpt #: 34 total cpu time spent up to now is 57.3 secs Computing kpt #: 35 total cpu time spent up to now is 58.9 secs Computing kpt #: 36 total cpu time spent up to now is 60.5 secs Computing kpt #: 37 total cpu time spent up to now is 62.1 secs Computing kpt #: 38 total cpu time spent up to now is 63.6 secs Computing kpt #: 39 total cpu time spent up to now is 65.2 secs Computing kpt #: 40 total cpu time spent up to now is 66.8 secs Computing kpt #: 41 total cpu time spent up to now is 68.5 secs Computing kpt #: 42 total cpu time spent up to now is 70.0 secs Computing kpt #: 43 total cpu time spent up to now is 71.6 secs Computing kpt #: 44 total cpu time spent up to now is 73.2 secs Computing kpt #: 45 total cpu time spent up to now is 75.2 secs Computing kpt #: 46 total cpu time spent up to now is 76.8 secs Computing kpt #: 47 total cpu time spent up to now is 78.5 secs Computing kpt #: 48 total cpu time spent up to now is 80.0 secs Computing kpt #: 49 total cpu time spent up to now is 81.7 secs Computing kpt #: 50 total cpu time spent up to now is 83.3 secs Computing kpt #: 51 total cpu time spent up to now is 84.9 secs Computing kpt #: 52 total cpu time spent up to now is 86.5 secs Computing kpt #: 53 total cpu time spent up to now is 88.1 secs Computing kpt #: 54 total cpu time spent up to now is 89.7 secs Computing kpt #: 55 total cpu time spent up to now is 91.3 secs Computing kpt #: 56 total cpu time spent up to now is 93.1 secs Computing kpt #: 57 total cpu time spent up to now is 94.7 secs Computing kpt #: 58 total cpu time spent up to now is 96.3 secs Computing kpt #: 59 total cpu time spent up to now is 98.0 secs Computing kpt #: 60 total cpu time spent up to now is 99.6 secs Computing kpt #: 61 total cpu time spent up to now is 101.3 secs Computing kpt #: 62 total cpu time spent up to now is 102.8 secs Computing kpt #: 63 total cpu time spent up to now is 104.4 secs Computing kpt #: 64 total cpu time spent up to now is 106.0 secs Computing kpt #: 65 total cpu time spent up to now is 107.6 secs Computing kpt #: 66 total cpu time spent up to now is 109.2 secs Computing kpt #: 67 total cpu time spent up to now is 110.8 secs Computing kpt #: 68 total cpu time spent up to now is 112.3 secs Computing kpt #: 69 total cpu time spent up to now is 113.9 secs Computing kpt #: 70 total cpu time spent up to now is 115.4 secs Computing kpt #: 71 total cpu time spent up to now is 117.0 secs Computing kpt #: 72 total cpu time spent up to now is 118.5 secs Computing kpt #: 73 total cpu time spent up to now is 120.0 secs Computing kpt #: 74 total cpu time spent up to now is 121.6 secs Computing kpt #: 75 total cpu time spent up to now is 123.1 secs Computing kpt #: 76 total cpu time spent up to now is 124.7 secs Computing kpt #: 77 total cpu time spent up to now is 126.2 secs Computing kpt #: 78 total cpu time spent up to now is 127.8 secs Computing kpt #: 79 total cpu time spent up to now is 129.3 secs Computing kpt #: 80 total cpu time spent up to now is 130.8 secs Computing kpt #: 81 total cpu time spent up to now is 132.3 secs Computing kpt #: 82 total cpu time spent up to now is 133.8 secs Computing kpt #: 83 total cpu time spent up to now is 135.2 secs Computing kpt #: 84 total cpu time spent up to now is 136.8 secs Computing kpt #: 85 total cpu time spent up to now is 138.2 secs Computing kpt #: 86 total cpu time spent up to now is 139.7 secs Computing kpt #: 87 total cpu time spent up to now is 141.2 secs Computing kpt #: 88 total cpu time spent up to now is 142.8 secs Computing kpt #: 89 total cpu time spent up to now is 144.3 secs Computing kpt #: 90 total cpu time spent up to now is 145.8 secs Computing kpt #: 91 total cpu time spent up to now is 147.3 secs Computing kpt #: 92 total cpu time spent up to now is 148.8 secs Computing kpt #: 93 total cpu time spent up to now is 150.4 secs Computing kpt #: 94 total cpu time spent up to now is 151.9 secs Computing kpt #: 95 total cpu time spent up to now is 153.4 secs Computing kpt #: 96 total cpu time spent up to now is 155.0 secs Computing kpt #: 97 total cpu time spent up to now is 156.5 secs Computing kpt #: 98 total cpu time spent up to now is 158.0 secs Computing kpt #: 99 total cpu time spent up to now is 159.6 secs Computing kpt #: 100 total cpu time spent up to now is 161.1 secs Computing kpt #: 101 total cpu time spent up to now is 162.6 secs Computing kpt #: 102 total cpu time spent up to now is 164.2 secs Computing kpt #: 103 total cpu time spent up to now is 165.8 secs Computing kpt #: 104 total cpu time spent up to now is 167.3 secs Computing kpt #: 105 total cpu time spent up to now is 168.9 secs Computing kpt #: 106 total cpu time spent up to now is 170.4 secs Computing kpt #: 107 total cpu time spent up to now is 172.0 secs Computing kpt #: 108 total cpu time spent up to now is 173.6 secs Computing kpt #: 109 total cpu time spent up to now is 175.2 secs Computing kpt #: 110 total cpu time spent up to now is 176.9 secs Computing kpt #: 111 total cpu time spent up to now is 178.5 secs Computing kpt #: 112 total cpu time spent up to now is 180.1 secs Computing kpt #: 113 total cpu time spent up to now is 182.0 secs Computing kpt #: 114 total cpu time spent up to now is 183.7 secs Computing kpt #: 115 total cpu time spent up to now is 185.3 secs Computing kpt #: 116 total cpu time spent up to now is 186.9 secs Computing kpt #: 117 total cpu time spent up to now is 188.4 secs Computing kpt #: 118 total cpu time spent up to now is 190.0 secs Computing kpt #: 119 total cpu time spent up to now is 191.6 secs Computing kpt #: 120 total cpu time spent up to now is 193.2 secs Computing kpt #: 121 total cpu time spent up to now is 194.8 secs Computing kpt #: 122 total cpu time spent up to now is 196.5 secs Computing kpt #: 123 total cpu time spent up to now is 198.0 secs Computing kpt #: 124 total cpu time spent up to now is 199.7 secs Computing kpt #: 125 total cpu time spent up to now is 201.3 secs Computing kpt #: 126 total cpu time spent up to now is 202.9 secs Computing kpt #: 127 total cpu time spent up to now is 204.5 secs Computing kpt #: 128 total cpu time spent up to now is 206.1 secs Computing kpt #: 129 total cpu time spent up to now is 207.9 secs Computing kpt #: 130 total cpu time spent up to now is 209.5 secs Computing kpt #: 131 total cpu time spent up to now is 211.1 secs Computing kpt #: 132 total cpu time spent up to now is 212.9 secs Computing kpt #: 133 total cpu time spent up to now is 215.1 secs Computing kpt #: 134 total cpu time spent up to now is 216.9 secs Computing kpt #: 135 total cpu time spent up to now is 218.8 secs Computing kpt #: 136 total cpu time spent up to now is 220.6 secs Computing kpt #: 137 total cpu time spent up to now is 222.4 secs Computing kpt #: 138 total cpu time spent up to now is 224.2 secs Computing kpt #: 139 total cpu time spent up to now is 226.0 secs Computing kpt #: 140 total cpu time spent up to now is 227.7 secs Computing kpt #: 141 total cpu time spent up to now is 229.6 secs Computing kpt #: 142 total cpu time spent up to now is 231.4 secs Computing kpt #: 143 total cpu time spent up to now is 233.2 secs Computing kpt #: 144 total cpu time spent up to now is 235.0 secs Computing kpt #: 145 total cpu time spent up to now is 236.8 secs Computing kpt #: 146 total cpu time spent up to now is 238.6 secs Computing kpt #: 147 total cpu time spent up to now is 240.2 secs Computing kpt #: 148 total cpu time spent up to now is 241.7 secs Computing kpt #: 149 total cpu time spent up to now is 243.3 secs Computing kpt #: 150 total cpu time spent up to now is 244.9 secs Computing kpt #: 151 total cpu time spent up to now is 246.5 secs Computing kpt #: 152 total cpu time spent up to now is 248.1 secs Computing kpt #: 153 total cpu time spent up to now is 249.6 secs Computing kpt #: 154 total cpu time spent up to now is 251.1 secs Computing kpt #: 155 total cpu time spent up to now is 252.7 secs Computing kpt #: 156 total cpu time spent up to now is 254.3 secs Computing kpt #: 157 total cpu time spent up to now is 255.9 secs Computing kpt #: 158 total cpu time spent up to now is 257.5 secs Computing kpt #: 159 total cpu time spent up to now is 259.1 secs Computing kpt #: 160 total cpu time spent up to now is 260.9 secs Computing kpt #: 161 total cpu time spent up to now is 262.6 secs Computing kpt #: 162 total cpu time spent up to now is 264.2 secs Computing kpt #: 163 total cpu time spent up to now is 266.0 secs Computing kpt #: 164 total cpu time spent up to now is 267.6 secs Computing kpt #: 165 total cpu time spent up to now is 269.2 secs Computing kpt #: 166 total cpu time spent up to now is 270.8 secs Computing kpt #: 167 total cpu time spent up to now is 272.4 secs Computing kpt #: 168 total cpu time spent up to now is 273.9 secs Computing kpt #: 169 total cpu time spent up to now is 275.5 secs Computing kpt #: 170 total cpu time spent up to now is 277.1 secs Computing kpt #: 171 total cpu time spent up to now is 278.6 secs Computing kpt #: 172 total cpu time spent up to now is 280.1 secs Computing kpt #: 173 total cpu time spent up to now is 281.6 secs Computing kpt #: 174 total cpu time spent up to now is 283.2 secs Computing kpt #: 175 total cpu time spent up to now is 284.7 secs Computing kpt #: 176 total cpu time spent up to now is 286.2 secs Computing kpt #: 177 total cpu time spent up to now is 287.7 secs Computing kpt #: 178 total cpu time spent up to now is 289.2 secs Computing kpt #: 179 total cpu time spent up to now is 290.7 secs Computing kpt #: 180 total cpu time spent up to now is 292.2 secs Computing kpt #: 181 total cpu time spent up to now is 293.6 secs Computing kpt #: 182 total cpu time spent up to now is 295.1 secs Computing kpt #: 183 total cpu time spent up to now is 296.6 secs Computing kpt #: 184 total cpu time spent up to now is 298.1 secs Computing kpt #: 185 total cpu time spent up to now is 299.6 secs Computing kpt #: 186 total cpu time spent up to now is 301.1 secs Computing kpt #: 187 total cpu time spent up to now is 302.6 secs Computing kpt #: 188 total cpu time spent up to now is 304.1 secs Computing kpt #: 189 total cpu time spent up to now is 305.6 secs Computing kpt #: 190 total cpu time spent up to now is 307.0 secs Computing kpt #: 191 total cpu time spent up to now is 308.5 secs Computing kpt #: 192 total cpu time spent up to now is 310.0 secs Computing kpt #: 193 total cpu time spent up to now is 311.5 secs Computing kpt #: 194 total cpu time spent up to now is 313.0 secs Computing kpt #: 195 total cpu time spent up to now is 314.4 secs Computing kpt #: 196 total cpu time spent up to now is 315.9 secs Computing kpt #: 197 total cpu time spent up to now is 317.4 secs Computing kpt #: 198 total cpu time spent up to now is 318.9 secs Computing kpt #: 199 total cpu time spent up to now is 320.4 secs Computing kpt #: 200 total cpu time spent up to now is 321.9 secs Computing kpt #: 201 total cpu time spent up to now is 323.4 secs Computing kpt #: 202 total cpu time spent up to now is 324.9 secs Computing kpt #: 203 total cpu time spent up to now is 326.4 secs Computing kpt #: 204 total cpu time spent up to now is 327.9 secs Computing kpt #: 205 total cpu time spent up to now is 329.5 secs Computing kpt #: 206 total cpu time spent up to now is 331.0 secs Computing kpt #: 207 total cpu time spent up to now is 332.5 secs Computing kpt #: 208 total cpu time spent up to now is 334.0 secs Computing kpt #: 209 total cpu time spent up to now is 335.5 secs Computing kpt #: 210 total cpu time spent up to now is 337.1 secs Computing kpt #: 211 total cpu time spent up to now is 338.7 secs Computing kpt #: 212 total cpu time spent up to now is 340.2 secs Computing kpt #: 213 total cpu time spent up to now is 341.7 secs Computing kpt #: 214 total cpu time spent up to now is 343.2 secs Computing kpt #: 215 total cpu time spent up to now is 344.7 secs Computing kpt #: 216 total cpu time spent up to now is 346.3 secs Computing kpt #: 217 total cpu time spent up to now is 347.8 secs Computing kpt #: 218 total cpu time spent up to now is 349.2 secs Computing kpt #: 219 total cpu time spent up to now is 350.7 secs Computing kpt #: 220 total cpu time spent up to now is 352.2 secs Computing kpt #: 221 total cpu time spent up to now is 353.7 secs Computing kpt #: 222 total cpu time spent up to now is 355.2 secs Computing kpt #: 223 total cpu time spent up to now is 356.6 secs Computing kpt #: 224 total cpu time spent up to now is 358.1 secs Computing kpt #: 225 total cpu time spent up to now is 359.6 secs Computing kpt #: 226 total cpu time spent up to now is 361.1 secs Computing kpt #: 227 total cpu time spent up to now is 362.6 secs Computing kpt #: 228 total cpu time spent up to now is 364.2 secs Computing kpt #: 229 total cpu time spent up to now is 365.7 secs Computing kpt #: 230 total cpu time spent up to now is 367.3 secs Computing kpt #: 231 total cpu time spent up to now is 368.9 secs Computing kpt #: 232 total cpu time spent up to now is 370.5 secs Computing kpt #: 233 total cpu time spent up to now is 372.1 secs Computing kpt #: 234 total cpu time spent up to now is 373.7 secs Computing kpt #: 235 total cpu time spent up to now is 375.3 secs Computing kpt #: 236 total cpu time spent up to now is 376.9 secs Computing kpt #: 237 total cpu time spent up to now is 378.5 secs Computing kpt #: 238 total cpu time spent up to now is 380.1 secs Computing kpt #: 239 total cpu time spent up to now is 381.7 secs Computing kpt #: 240 total cpu time spent up to now is 383.3 secs Computing kpt #: 241 total cpu time spent up to now is 384.9 secs Computing kpt #: 242 total cpu time spent up to now is 386.5 secs Computing kpt #: 243 total cpu time spent up to now is 388.1 secs Computing kpt #: 244 total cpu time spent up to now is 390.1 secs Computing kpt #: 245 total cpu time spent up to now is 391.8 secs Computing kpt #: 246 total cpu time spent up to now is 393.6 secs Computing kpt #: 247 total cpu time spent up to now is 395.2 secs Computing kpt #: 248 total cpu time spent up to now is 397.0 secs Computing kpt #: 249 total cpu time spent up to now is 398.6 secs Computing kpt #: 250 total cpu time spent up to now is 400.1 secs Computing kpt #: 251 total cpu time spent up to now is 401.8 secs Computing kpt #: 252 total cpu time spent up to now is 403.5 secs Computing kpt #: 253 total cpu time spent up to now is 405.1 secs Computing kpt #: 254 total cpu time spent up to now is 406.7 secs Computing kpt #: 255 total cpu time spent up to now is 408.4 secs Computing kpt #: 256 total cpu time spent up to now is 410.2 secs Computing kpt #: 257 total cpu time spent up to now is 412.0 secs Computing kpt #: 258 total cpu time spent up to now is 413.8 secs Computing kpt #: 259 total cpu time spent up to now is 415.6 secs Computing kpt #: 260 total cpu time spent up to now is 417.4 secs Computing kpt #: 261 total cpu time spent up to now is 419.3 secs Computing kpt #: 262 total cpu time spent up to now is 420.9 secs Computing kpt #: 263 total cpu time spent up to now is 422.5 secs Computing kpt #: 264 total cpu time spent up to now is 424.3 secs Computing kpt #: 265 total cpu time spent up to now is 426.1 secs Computing kpt #: 266 total cpu time spent up to now is 427.7 secs Computing kpt #: 267 total cpu time spent up to now is 429.3 secs Computing kpt #: 268 total cpu time spent up to now is 430.9 secs Computing kpt #: 269 total cpu time spent up to now is 432.5 secs Computing kpt #: 270 total cpu time spent up to now is 434.0 secs Computing kpt #: 271 total cpu time spent up to now is 435.6 secs Computing kpt #: 272 total cpu time spent up to now is 437.2 secs Computing kpt #: 273 total cpu time spent up to now is 438.8 secs Computing kpt #: 274 total cpu time spent up to now is 440.4 secs Computing kpt #: 275 total cpu time spent up to now is 442.0 secs Computing kpt #: 276 total cpu time spent up to now is 443.6 secs Computing kpt #: 277 total cpu time spent up to now is 445.2 secs Computing kpt #: 278 total cpu time spent up to now is 446.8 secs Computing kpt #: 279 total cpu time spent up to now is 448.4 secs Computing kpt #: 280 total cpu time spent up to now is 450.0 secs Computing kpt #: 281 total cpu time spent up to now is 451.6 secs Computing kpt #: 282 total cpu time spent up to now is 453.2 secs Computing kpt #: 283 total cpu time spent up to now is 454.8 secs Computing kpt #: 284 total cpu time spent up to now is 456.3 secs Computing kpt #: 285 total cpu time spent up to now is 457.9 secs Computing kpt #: 286 total cpu time spent up to now is 459.5 secs Computing kpt #: 287 total cpu time spent up to now is 461.0 secs Computing kpt #: 288 total cpu time spent up to now is 462.5 secs Computing kpt #: 289 total cpu time spent up to now is 464.1 secs Computing kpt #: 290 total cpu time spent up to now is 465.5 secs ethr = 2.27E-08, avg # of iterations = 18.6 total cpu time spent up to now is 465.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 17539 PWs) bands (ev): -40.5764 -40.5764 -11.4844 -11.4844 -8.4335 -8.4335 -8.4289 -8.4289 -7.9471 -7.9471 -4.7891 -4.7891 -2.4505 -2.4505 -2.3670 -2.3670 -2.1607 -2.1607 -2.0339 -2.0339 -1.9734 -1.9734 -1.2192 -1.2192 -1.2061 -1.2061 -0.3641 -0.3641 0.5862 0.5862 0.7765 0.7765 2.0272 2.0272 2.4272 2.4272 2.4409 2.4409 3.0564 3.0564 3.1110 3.1110 3.3561 3.3561 7.1087 7.1087 7.2460 7.2460 8.0848 8.0848 8.8337 8.8337 k = 0.0000 0.0000 0.0190 ( 17539 PWs) bands (ev): -40.5764 -40.5764 -11.4841 -11.4841 -8.4339 -8.4338 -8.4293 -8.4293 -7.9475 -7.9473 -4.7882 -4.7880 -2.4527 -2.4486 -2.3696 -2.3645 -2.1623 -2.1592 -2.0358 -2.0323 -1.9771 -1.9694 -1.2213 -1.2179 -1.2073 -1.2050 -0.3652 -0.3638 0.5876 0.5886 0.7768 0.7772 2.0270 2.0281 2.4275 2.4292 2.4416 2.4427 3.0532 3.0552 3.1086 3.1088 3.3535 3.3562 7.1100 7.1104 7.2488 7.2489 8.0854 8.0866 8.8327 8.8339 k = 0.0000 0.0000 0.0381 ( 17539 PWs) bands (ev): -40.5764 -40.5764 -11.4832 -11.4832 -8.4351 -8.4350 -8.4303 -8.4302 -7.9485 -7.9483 -4.7852 -4.7847 -2.4552 -2.4471 -2.3721 -2.3619 -2.1639 -2.1578 -2.0381 -2.0311 -1.9804 -1.9654 -1.2249 -1.2180 -1.2083 -1.2025 -0.3669 -0.3641 0.5925 0.5945 0.7781 0.7791 2.0276 2.0296 2.4291 2.4322 2.4459 2.4480 3.0451 3.0491 3.1021 3.1028 3.3487 3.3539 7.1140 7.1149 7.2574 7.2577 8.0883 8.0907 8.8306 8.8331 k = 0.0000 0.0000 0.0571 ( 17531 PWs) bands (ev): -40.5764 -40.5764 -11.4817 -11.4817 -8.4375 -8.4373 -8.4317 -8.4316 -7.9502 -7.9498 -4.7802 -4.7795 -2.4579 -2.4460 -2.3746 -2.3594 -2.1655 -2.1565 -2.0406 -2.0301 -1.9834 -1.9612 -1.2313 -1.2217 -1.2068 -1.1977 -0.3693 -0.3651 0.6010 0.6040 0.7806 0.7820 2.0288 2.0318 2.4307 2.4346 2.4554 2.4579 3.0309 3.0372 3.0927 3.0943 3.3416 3.3491 7.1204 7.1217 7.2719 7.2723 8.0934 8.0971 8.8269 8.8307 k = 0.0000 0.0000 0.0762 ( 17535 PWs) bands (ev): -40.5764 -40.5764 -11.4797 -11.4797 -8.4410 -8.4408 -8.4333 -8.4331 -7.9526 -7.9521 -4.7732 -4.7722 -2.4610 -2.4452 -2.3771 -2.3570 -2.1669 -2.1555 -2.0433 -2.0294 -1.9860 -1.9571 -1.2405 -1.2290 -1.2023 -1.1906 -0.3724 -0.3669 0.6128 0.6167 0.7843 0.7862 2.0308 2.0347 2.4319 2.4363 2.4700 2.4727 3.0099 3.0182 3.0821 3.0849 3.3323 3.3419 7.1283 7.1301 7.2924 7.2927 8.1007 8.1056 8.8209 8.8259 k = 0.0000 0.0000 0.0952 ( 17525 PWs) bands (ev): -40.5764 -40.5764 -11.4771 -11.4770 -8.4457 -8.4454 -8.4350 -8.4349 -7.9555 -7.9549 -4.7642 -4.7630 -2.4642 -2.4449 -2.3795 -2.3545 -2.1683 -2.1548 -2.0463 -2.0289 -1.9880 -1.9531 -1.2523 -1.2389 -1.1956 -1.1815 -0.3762 -0.3694 0.6277 0.6324 0.7894 0.7918 2.0337 2.0384 2.4329 2.4380 2.4889 2.4920 2.9819 2.9917 3.0712 3.0750 3.3208 3.3322 7.1370 7.1392 7.3187 7.3189 8.1100 8.1162 8.8128 8.8184 k = 0.0000 0.0000 0.1143 ( 17529 PWs) bands (ev): -40.5764 -40.5764 -11.4739 -11.4739 -8.4516 -8.4512 -8.4370 -8.4368 -7.9592 -7.9585 -4.7533 -4.7520 -2.4676 -2.4449 -2.3819 -2.3521 -2.1695 -2.1544 -2.0493 -2.0288 -1.9897 -1.9492 -1.2664 -1.2511 -1.1869 -1.1706 -0.3808 -0.3727 0.6452 0.6507 0.7960 0.7990 2.0375 2.0428 2.4341 2.4398 2.5115 2.5149 2.9479 2.9586 3.0601 3.0648 3.3072 3.3201 7.1460 7.1486 7.3503 7.3506 8.1209 8.1284 8.8030 8.8088 k = 0.0000 0.0000 0.1333 ( 17519 PWs) bands (ev): -40.5764 -40.5764 -11.4702 -11.4701 -8.4584 -8.4579 -8.4392 -8.4390 -7.9634 -7.9626 -4.7407 -4.7391 -2.4712 -2.4454 -2.3842 -2.3497 -2.1704 -2.1545 -2.0522 -2.0288 -1.9909 -1.9454 -1.2825 -1.2653 -1.1763 -1.1580 -0.3861 -0.3768 0.6649 0.6711 0.8046 0.8081 2.0422 2.0481 2.4355 2.4419 2.5373 2.5411 2.9090 2.9203 3.0483 3.0539 3.2916 3.3058 7.1545 7.1575 7.3867 7.3872 8.1330 8.1418 8.7924 8.7978 k = 0.0000 0.0000 0.1524 ( 17511 PWs) bands (ev): -40.5764 -40.5764 -11.4659 -11.4659 -8.4660 -8.4655 -8.4417 -8.4414 -7.9683 -7.9674 -4.7263 -4.7245 -2.4749 -2.4462 -2.3864 -2.3473 -2.1712 -2.1550 -2.0550 -2.0290 -1.9917 -1.9419 -1.3005 -1.2811 -1.1638 -1.1437 -0.3921 -0.3818 0.6861 0.6930 0.8153 0.8195 2.0477 2.0541 2.4372 2.4443 2.5655 2.5695 2.8666 2.8782 3.0358 3.0422 3.2741 3.2895 7.1622 7.1655 7.4271 7.4281 8.1458 8.1557 8.7814 8.7861 k = 0.0000 0.0000 0.1714 ( 17505 PWs) bands (ev): -40.5764 -40.5764 -11.4612 -11.4612 -8.4745 -8.4739 -8.4444 -8.4441 -7.9738 -7.9728 -4.7103 -4.7083 -2.4787 -2.4473 -2.3887 -2.3448 -2.1718 -2.1560 -2.0576 -2.0295 -1.9923 -1.9385 -1.3200 -1.2984 -1.1496 -1.1279 -0.3990 -0.3876 0.7081 0.7156 0.8287 0.8337 2.0541 2.0609 2.4392 2.4471 2.5947 2.5986 2.8231 2.8346 3.0223 3.0296 3.2550 3.2713 7.1687 7.1724 7.4706 7.4721 8.1583 8.1693 8.7708 8.7742 k = 0.0000 0.0000 0.1904 ( 17509 PWs) bands (ev): -40.5764 -40.5764 -11.4560 -11.4560 -8.4837 -8.4831 -8.4473 -8.4470 -7.9799 -7.9788 -4.6929 -4.6906 -2.4826 -2.4488 -2.3909 -2.3423 -2.1722 -2.1575 -2.0597 -2.0301 -1.9926 -1.9353 -1.3408 -1.3170 -1.1335 -1.1105 -0.4066 -0.3942 0.7302 0.7381 0.8452 0.8512 2.0612 2.0683 2.4414 2.4501 2.6215 2.6244 2.7830 2.7933 3.0080 3.0162 3.2345 3.2518 7.1739 7.1779 7.5163 7.5184 8.1698 8.1818 8.7608 8.7626 k = 0.0000 0.0000 0.2095 ( 17493 PWs) bands (ev): -40.5764 -40.5764 -11.4504 -11.4504 -8.4935 -8.4929 -8.4505 -8.4501 -7.9866 -7.9854 -4.6740 -4.6715 -2.4866 -2.4506 -2.3931 -2.3396 -2.1724 -2.1595 -2.0615 -2.0309 -1.9927 -1.9323 -1.3628 -1.3366 -1.1158 -1.0917 -0.4150 -0.4017 0.7516 0.7598 0.8652 0.8720 2.0688 2.0762 2.4438 2.4533 2.6341 2.6370 2.7587 2.7649 2.9928 3.0022 3.2131 3.2311 7.1776 7.1819 7.5631 7.5659 8.1794 8.1921 8.7513 8.7515 k = 0.0000 0.0000 0.2285 ( 17489 PWs) bands (ev): -40.5764 -40.5764 -11.4444 -11.4443 -8.5039 -8.5032 -8.4538 -8.4534 -7.9938 -7.9926 -4.6539 -4.6512 -2.4906 -2.4526 -2.3953 -2.3369 -2.1725 -2.1621 -2.0628 -2.0319 -1.9927 -1.9294 -1.3857 -1.3570 -1.0966 -1.0714 -0.4241 -0.4100 0.7722 0.7805 0.8885 0.8961 2.0767 2.0842 2.4461 2.4564 2.6151 2.6232 2.7645 2.7665 2.9771 2.9877 3.1913 3.2100 7.1798 7.1844 7.6097 7.6133 8.1862 8.1995 8.7405 8.7428 k = 0.0000 0.0000 0.2476 ( 17495 PWs) bands (ev): -40.5764 -40.5764 -11.4379 -11.4379 -8.5147 -8.5140 -8.4573 -8.4568 -8.0016 -8.0003 -4.6327 -4.6298 -2.4946 -2.4548 -2.3975 -2.3340 -2.1725 -2.1649 -2.0637 -2.0330 -1.9925 -1.9266 -1.4092 -1.3780 -1.0757 -1.0498 -0.4338 -0.4190 0.7918 0.8001 0.9146 0.9229 2.0845 2.0922 2.4478 2.4592 2.5763 2.5869 2.7899 2.7931 2.9613 2.9734 3.1699 3.1891 7.1806 7.1854 7.6550 7.6596 8.1897 8.2033 8.7297 8.7342 k = 0.0000 0.0000 0.2666 ( 17499 PWs) bands (ev): -40.5764 -40.5764 -11.4312 -11.4311 -8.5259 -8.5251 -8.4609 -8.4604 -8.0098 -8.0085 -4.6105 -4.6074 -2.4987 -2.4573 -2.3997 -2.3310 -2.1731 -2.1676 -2.0641 -2.0342 -1.9923 -1.9240 -1.4333 -1.3993 -1.0535 -1.0270 -0.4442 -0.4286 0.8109 0.8192 0.9426 0.9513 2.0917 2.0995 2.4480 2.4613 2.5331 2.5435 2.8229 2.8261 2.9464 2.9607 3.1499 3.1695 7.1799 7.1849 7.6978 7.7035 8.1896 8.2035 8.7185 8.7252 k = 0.0000 0.0000 0.2857 ( 17503 PWs) bands (ev): -40.5764 -40.5764 -11.4241 -11.4241 -8.5373 -8.5366 -8.4646 -8.4641 -8.0185 -8.0171 -4.5875 -4.5842 -2.5028 -2.4599 -2.4018 -2.3278 -2.1752 -2.1689 -2.0643 -2.0355 -1.9920 -1.9214 -1.4577 -1.4208 -1.0300 -1.0029 -0.4551 -0.4389 0.8297 0.8380 0.9714 0.9804 2.0978 2.1057 2.4434 2.4618 2.4941 2.5006 2.8535 2.8561 2.9354 2.9535 3.1329 3.1525 7.1780 7.1831 7.7367 7.7437 8.1858 8.1999 8.7065 8.7150 k = 0.0000 0.0000 0.3047 ( 17523 PWs) bands (ev): -40.5764 -40.5764 -11.4168 -11.4168 -8.5490 -8.5482 -8.4683 -8.4678 -8.0277 -8.0262 -4.5639 -4.5604 -2.5068 -2.4627 -2.4038 -2.3244 -2.1791 -2.1688 -2.0642 -2.0370 -1.9916 -1.9190 -1.4822 -1.4422 -1.0053 -0.9778 -0.4664 -0.4495 0.8487 0.8569 0.9999 1.0091 2.1019 2.1098 2.4244 2.4579 2.4605 2.4746 2.8679 2.8742 2.9364 2.9591 3.1217 3.1405 7.1748 7.1800 7.7706 7.7789 8.1786 8.1930 8.6933 8.7034 k = 0.0000 0.0000 0.3238 ( 17521 PWs) bands (ev): -40.5764 -40.5764 -11.4093 -11.4092 -8.5607 -8.5599 -8.4722 -8.4716 -8.0372 -8.0357 -4.5397 -4.5360 -2.5109 -2.4656 -2.4056 -2.3208 -2.1836 -2.1682 -2.0639 -2.0385 -1.9912 -1.9165 -1.5066 -1.4635 -0.9796 -0.9516 -0.4779 -0.4605 0.8678 0.8760 1.0272 1.0363 2.1033 2.1111 2.3946 2.4232 2.4565 2.4674 2.8640 2.8729 2.9523 2.9768 3.1203 3.1373 7.1706 7.1759 7.7983 7.8080 8.1684 8.1830 8.6787 8.6899 k = 0.0000 0.0000 0.3428 ( 17511 PWs) bands (ev): -40.5764 -40.5764 -11.4016 -11.4015 -8.5724 -8.5716 -8.4760 -8.4754 -8.0470 -8.0455 -4.5151 -4.5112 -2.5149 -2.4688 -2.4073 -2.3171 -2.1886 -2.1672 -2.0636 -2.0401 -1.9907 -1.9141 -1.5309 -1.4844 -0.9531 -0.9247 -0.4895 -0.4715 0.8871 0.8954 1.0523 1.0612 2.1012 2.1086 2.3670 2.3945 2.4515 2.4620 2.8521 2.8619 2.9684 2.9933 3.1337 3.1472 7.1655 7.1707 7.8190 7.8300 8.1553 8.1703 8.6625 8.6746 k = 0.0000 0.0000 0.3619 ( 17503 PWs) bands (ev): -40.5764 -40.5764 -11.3938 -11.3937 -8.5841 -8.5833 -8.4798 -8.4792 -8.0571 -8.0556 -4.4902 -4.4862 -2.5189 -2.4721 -2.4088 -2.3132 -2.1939 -2.1662 -2.0635 -2.0416 -1.9900 -1.9117 -1.5547 -1.5048 -0.9260 -0.8972 -0.5010 -0.4824 0.9065 0.9148 1.0744 1.0831 2.0956 2.1021 2.3459 2.3728 2.4440 2.4550 2.8384 2.8486 2.9772 3.0016 3.1623 3.1718 7.1594 7.1647 7.8322 7.8443 8.1397 8.1548 8.6450 8.6575 k = 0.0000 0.0000 0.3809 ( 17501 PWs) bands (ev): -40.5764 -40.5764 -11.3859 -11.3858 -8.5956 -8.5948 -8.4836 -8.4830 -8.0674 -8.0659 -4.4653 -4.4612 -2.5228 -2.4756 -2.4100 -2.3091 -2.1994 -2.1649 -2.0636 -2.0431 -1.9893 -1.9093 -1.5779 -1.5245 -0.8986 -0.8693 -0.5121 -0.4929 0.9255 0.9340 1.0932 1.1014 2.0868 2.0921 2.3319 2.3579 2.4336 2.4454 2.8254 2.8355 2.9810 3.0044 3.2013 3.2075 7.1526 7.1579 7.8378 7.8508 8.1214 8.1367 8.6262 8.6388 k = 0.0000 0.0000 0.3999 ( 17501 PWs) bands (ev): -40.5764 -40.5764 -11.3780 -11.3779 -8.6069 -8.6061 -8.4873 -8.4867 -8.0778 -8.0763 -4.4405 -4.4363 -2.5267 -2.4793 -2.4109 -2.3051 -2.2049 -2.1636 -2.0640 -2.0445 -1.9884 -1.9070 -1.6004 -1.5435 -0.8713 -0.8415 -0.5226 -0.5026 0.9435 0.9521 1.1086 1.1163 2.0754 2.0802 2.3243 2.3487 2.4200 2.4333 2.8142 2.8241 2.9835 3.0057 3.2456 3.2498 7.1451 7.1503 7.8362 7.8498 8.1003 8.1155 8.6065 8.6189 k = 0.0000 0.0000 0.4190 ( 17507 PWs) bands (ev): -40.5764 -40.5764 -11.3701 -11.3700 -8.6179 -8.6171 -8.4909 -8.4903 -8.0884 -8.0869 -4.4159 -4.4116 -2.5305 -2.4833 -2.4114 -2.3010 -2.2104 -2.1622 -2.0650 -2.0459 -1.9872 -1.9048 -1.6220 -1.5617 -0.8446 -0.8141 -0.5319 -0.5111 0.9593 0.9681 1.1214 1.1286 2.0619 2.0679 2.3215 2.3438 2.4035 2.4185 2.8057 2.8153 2.9871 3.0081 3.2925 3.2955 7.1369 7.1420 7.8282 7.8421 8.0760 8.0910 8.5860 8.5981 k = 0.0000 0.0000 0.4380 ( 17499 PWs) bands (ev): -40.5764 -40.5764 -11.3623 -11.3622 -8.6286 -8.6278 -8.4944 -8.4938 -8.0989 -8.0974 -4.3917 -4.3873 -2.5342 -2.4874 -2.4116 -2.2973 -2.2156 -2.1606 -2.0664 -2.0473 -1.9858 -1.9026 -1.6426 -1.5789 -0.8190 -0.7878 -0.5394 -0.5179 0.9713 0.9802 1.1330 1.1398 2.0469 2.0558 2.3223 2.3418 2.3848 2.4014 2.8005 2.8100 2.9928 3.0124 3.3403 3.3427 7.1280 7.1331 7.8149 7.8287 8.0484 8.0631 8.5651 8.5765 k = 0.0000 0.0000 0.4571 ( 17497 PWs) bands (ev): -40.5764 -40.5764 -11.3546 -11.3546 -8.6389 -8.6381 -8.4977 -8.4971 -8.1094 -8.1079 -4.3680 -4.3635 -2.5378 -2.4917 -2.4114 -2.2940 -2.2204 -2.1590 -2.0681 -2.0490 -1.9842 -1.9006 -1.6618 -1.5952 -0.7953 -0.7635 -0.5444 -0.5222 0.9777 0.9865 1.1458 1.1521 2.0307 2.0431 2.3257 2.3415 2.3653 2.3824 2.7990 2.8088 3.0007 3.0192 3.3881 3.3903 7.1185 7.1235 7.7973 7.8108 8.0176 8.0318 8.5439 8.5546 k = 0.0000 0.0000 0.4761 ( 17503 PWs) bands (ev): -40.5764 -40.5764 -11.3472 -11.3471 -8.6487 -8.6480 -8.5009 -8.5003 -8.1197 -8.1183 -4.3449 -4.3405 -2.5413 -2.4962 -2.4107 -2.2916 -2.2241 -2.1573 -2.0703 -2.0509 -1.9822 -1.8989 -1.6797 -1.6105 -0.7744 -0.7424 -0.5458 -0.5233 0.9773 0.9855 1.1617 1.1675 2.0129 2.0288 2.3264 2.3397 2.3522 2.3634 2.8017 2.8118 3.0107 3.0281 3.4352 3.4373 7.1084 7.1132 7.7764 7.7895 7.9837 7.9974 8.5226 8.5326 k = 0.0000 0.0000 0.4952 ( 17505 PWs) bands (ev): -40.5764 -40.5764 -11.3399 -11.3399 -8.6580 -8.6573 -8.5038 -8.5033 -8.1298 -8.1285 -4.3227 -4.3183 -2.5446 -2.5009 -2.4097 -2.2905 -2.2266 -2.1555 -2.0726 -2.0533 -1.9799 -1.8975 -1.6959 -1.6247 -0.7570 -0.7258 -0.5424 -0.5205 0.9700 0.9774 1.1814 1.1870 1.9929 2.0120 2.3090 2.3334 2.3485 2.3602 2.8084 2.8189 3.0222 3.0387 3.4811 3.4833 7.0976 7.1023 7.7534 7.7659 7.9473 7.9604 8.5016 8.5107 k = 0.0000 0.0000 0.5142 ( 17499 PWs) bands (ev): -40.5764 -40.5764 -11.3330 -11.3329 -8.6668 -8.6661 -8.5066 -8.5061 -8.1396 -8.1383 -4.3014 -4.2970 -2.5477 -2.5056 -2.4083 -2.2911 -2.2272 -2.1536 -2.0752 -2.0563 -1.9774 -1.8965 -1.7104 -1.6380 -0.7439 -0.7145 -0.5336 -0.5133 0.9568 0.9633 1.2048 1.2102 1.9703 1.9920 2.2850 2.3101 2.3603 2.3689 2.8190 2.8300 3.0348 3.0505 3.5255 3.5277 7.0863 7.0909 7.7291 7.7410 7.9090 7.9215 8.4809 8.4891 k = 0.0000 0.0000 0.5333 ( 17491 PWs) bands (ev): -40.5764 -40.5764 -11.3264 -11.3263 -8.6750 -8.6744 -8.5092 -8.5087 -8.1491 -8.1478 -4.2812 -4.2769 -2.5505 -2.5105 -2.4066 -2.2936 -2.2258 -2.1516 -2.0779 -2.0598 -1.9746 -1.8962 -1.7228 -1.6503 -0.7350 -0.7085 -0.5196 -0.5018 0.9395 0.9450 1.2310 1.2364 1.9452 1.9689 2.2592 2.2842 2.3755 2.3815 2.8331 2.8445 3.0480 3.0630 3.5678 3.5700 7.0744 7.0788 7.7044 7.7156 7.8696 7.8814 8.4608 8.4681 k = 0.0000 0.0000 0.5523 ( 17483 PWs) bands (ev): -40.5764 -40.5764 -11.3202 -11.3201 -8.6826 -8.6820 -8.5115 -8.5110 -8.1580 -8.1568 -4.2622 -4.2581 -2.5531 -2.5153 -2.4044 -2.2977 -2.2226 -2.1496 -2.0807 -2.0639 -1.9715 -1.8966 -1.7331 -1.6617 -0.7300 -0.7068 -0.5017 -0.4867 0.9195 0.9242 1.2594 1.2648 1.9180 1.9429 2.2327 2.2572 2.3928 2.3968 2.8501 2.8618 3.0611 3.0756 3.6078 3.6100 7.0621 7.0663 7.6801 7.6906 7.8299 7.8411 8.4415 8.4480 k = 0.0000 0.0000 0.5713 ( 17469 PWs) bands (ev): -40.5764 -40.5764 -11.3144 -11.3143 -8.6895 -8.6889 -8.5137 -8.5132 -8.1664 -8.1653 -4.2445 -4.2407 -2.5553 -2.5202 -2.4019 -2.3030 -2.2180 -2.1476 -2.0835 -2.0686 -1.9682 -1.8977 -1.7413 -1.6723 -0.7279 -0.7080 -0.4814 -0.4692 0.8982 0.9022 1.2892 1.2948 1.8892 1.9148 2.2059 2.2295 2.4111 2.4136 2.8694 2.8812 3.0738 3.0878 3.6452 3.6472 7.0495 7.0535 7.6568 7.6667 7.7907 7.8013 8.4231 8.4288 k = 0.0000 0.0000 0.5904 ( 17466 PWs) bands (ev): -40.5764 -40.5764 -11.3091 -11.3090 -8.6957 -8.6952 -8.5155 -8.5151 -8.1742 -8.1732 -4.2283 -4.2247 -2.5572 -2.5251 -2.3990 -2.3092 -2.2124 -2.1457 -2.0864 -2.0737 -1.9648 -1.8997 -1.7472 -1.6820 -0.7278 -0.7110 -0.4601 -0.4504 0.8768 0.8801 1.3199 1.3258 1.8595 1.8852 2.1794 2.2018 2.4295 2.4312 2.8902 2.9020 3.0856 3.0991 3.6795 3.6814 7.0368 7.0405 7.6351 7.6445 7.7528 7.7628 8.4059 8.4108 k = 0.0000 0.0000 0.6094 ( 17442 PWs) bands (ev): -40.5764 -40.5764 -11.3043 -11.3043 -8.7013 -8.7008 -8.5172 -8.5168 -8.1812 -8.1803 -4.2137 -4.2104 -2.5587 -2.5298 -2.3957 -2.3159 -2.2059 -2.1439 -2.0893 -2.0792 -1.9612 -1.9024 -1.7510 -1.6910 -0.7290 -0.7149 -0.4392 -0.4315 0.8562 0.8589 1.3509 1.3574 1.8296 1.8551 2.1536 2.1745 2.4473 2.4485 2.9118 2.9235 3.0961 3.1091 3.7106 3.7123 7.0243 7.0277 7.6156 7.6245 7.7169 7.7264 8.3901 8.3942 k = 0.0000 0.0000 0.6285 ( 17458 PWs) bands (ev): -40.5764 -40.5764 -11.3001 -11.3001 -8.7061 -8.7057 -8.5186 -8.5182 -8.1875 -8.1867 -4.2007 -4.1978 -2.5597 -2.5344 -2.3920 -2.3228 -2.1990 -2.1423 -2.0923 -2.0846 -1.9574 -1.9059 -1.7530 -1.6993 -0.7308 -0.7192 -0.4193 -0.4133 0.8371 0.8393 1.3819 1.3890 1.8001 1.8250 2.1292 2.1483 2.4638 2.4649 2.9334 2.9448 3.1051 3.1174 3.7381 3.7396 7.0124 7.0154 7.5986 7.6071 7.6837 7.6928 8.3758 8.3792 k = 0.0000 0.0000 0.6475 ( 17458 PWs) bands (ev): -40.5764 -40.5764 -11.2965 -11.2964 -8.7102 -8.7099 -8.5198 -8.5195 -8.1929 -8.1922 -4.1895 -4.1870 -2.5603 -2.5387 -2.3880 -2.3298 -2.1916 -2.1413 -2.0955 -2.0898 -1.9535 -1.9098 -1.7532 -1.7070 -0.7327 -0.7234 -0.4014 -0.3967 0.8201 0.8218 1.4123 1.4200 1.7717 1.7955 2.1070 2.1239 2.4786 2.4796 2.9543 2.9651 3.1123 3.1239 3.7618 3.7631 7.0014 7.0040 7.5845 7.5927 7.6539 7.6626 8.3632 8.3660 k = 0.0000 0.0000 0.6666 ( 17474 PWs) bands (ev): -40.5764 -40.5764 -11.2934 -11.2934 -8.7136 -8.7133 -8.5207 -8.5205 -8.1974 -8.1968 -4.1802 -4.1781 -2.5604 -2.5428 -2.3837 -2.3368 -2.1841 -2.1411 -2.0987 -2.0943 -1.9495 -1.9141 -1.7521 -1.7142 -0.7345 -0.7272 -0.3859 -0.3824 0.8056 0.8069 1.4414 1.4497 1.7451 1.7672 2.0877 2.1020 2.4912 2.4922 2.9737 2.9835 3.1179 3.1283 3.7815 3.7826 6.9917 6.9939 7.5736 7.5815 7.6279 7.6363 8.3527 8.3548 k = 0.0000 0.0000 0.6856 ( 17468 PWs) bands (ev): -40.5764 -40.5764 -11.2911 -11.2911 -8.7162 -8.7160 -8.5214 -8.5213 -8.2009 -8.2005 -4.1728 -4.1712 -2.5599 -2.5466 -2.3790 -2.3436 -2.1765 -2.1422 -2.1017 -2.0978 -1.9454 -1.9186 -1.7498 -1.7208 -0.7359 -0.7305 -0.3732 -0.3708 0.7940 0.7950 1.4685 1.4769 1.7214 1.7407 2.0721 2.0834 2.5014 2.5022 2.9906 2.9989 3.1219 3.1306 3.7971 3.7979 6.9838 6.9855 7.5660 7.5738 7.6062 7.6143 8.3442 8.3458 k = 0.0000 0.0000 0.7047 ( 17472 PWs) bands (ev): -40.5764 -40.5764 -11.2894 -11.2894 -8.7181 -8.7180 -8.5219 -8.5218 -8.2035 -8.2032 -4.1674 -4.1663 -2.5590 -2.5500 -2.3739 -2.3503 -2.1690 -2.1449 -2.1038 -2.1005 -1.9412 -1.9232 -1.7466 -1.7270 -0.7368 -0.7332 -0.3639 -0.3623 0.7856 0.7862 1.4920 1.4994 1.7022 1.7173 2.0610 2.0688 2.5089 2.5094 3.0043 3.0104 3.1249 3.1313 3.8083 3.8089 6.9780 6.9791 7.5620 7.5695 7.5891 7.5969 8.3382 8.3392 k = 0.0000 0.0000 0.7237 ( 17474 PWs) bands (ev): -40.5764 -40.5764 -11.2883 -11.2883 -8.7192 -8.7191 -8.5222 -8.5222 -8.2050 -8.2048 -4.1640 -4.1635 -2.5575 -2.5529 -2.3685 -2.3566 -2.1617 -2.1493 -2.1046 -2.1026 -1.9368 -1.9278 -1.7425 -1.7327 -0.7370 -0.7352 -0.3580 -0.3572 0.7806 0.7809 1.5096 1.5143 1.6903 1.6990 2.0549 2.0589 2.5135 2.5138 3.0138 3.0171 3.1271 3.1306 3.8152 3.8155 6.9744 6.9750 7.5617 7.5680 7.5777 7.5841 8.3346 8.3351 k = 0.0000 0.0000 0.7427 ( 17476 PWs) bands (ev): -40.5764 -40.5764 -11.2880 -11.2880 -8.7196 -8.7196 -8.5223 -8.5223 -8.2054 -8.2054 -4.1627 -4.1627 -2.5554 -2.5554 -2.3627 -2.3627 -2.1550 -2.1550 -2.1041 -2.1041 -1.9324 -1.9324 -1.7379 -1.7379 -0.7365 -0.7365 -0.3557 -0.3557 0.7790 0.7790 1.5179 1.5179 1.6891 1.6891 2.0542 2.0542 2.5152 2.5152 3.0182 3.0182 3.1290 3.1290 3.8176 3.8176 6.9735 6.9735 7.5649 7.5649 7.5765 7.5765 8.3335 8.3335 k = 0.0000 0.0000 0.7427 ( 17476 PWs) bands (ev): -40.5764 -40.5764 -11.2880 -11.2880 -8.7196 -8.7196 -8.5223 -8.5223 -8.2054 -8.2054 -4.1627 -4.1627 -2.5554 -2.5554 -2.3627 -2.3627 -2.1550 -2.1550 -2.1041 -2.1041 -1.9324 -1.9324 -1.7379 -1.7379 -0.7365 -0.7365 -0.3557 -0.3557 0.7790 0.7790 1.5179 1.5179 1.6891 1.6891 2.0542 2.0542 2.5152 2.5152 3.0182 3.0182 3.1290 3.1290 3.8176 3.8176 6.9735 6.9735 7.5649 7.5649 7.5765 7.5765 8.3335 8.3335 k =-0.0122 0.0134 0.7427 ( 17482 PWs) bands (ev): -40.5764 -40.5764 -11.2880 -11.2880 -8.7194 -8.7193 -8.5224 -8.5223 -8.2058 -8.2057 -4.1631 -4.1623 -2.5586 -2.5519 -2.3708 -2.3542 -2.1669 -2.1438 -2.1084 -2.0984 -1.9338 -1.9303 -1.7397 -1.7350 -0.7374 -0.7353 -0.3571 -0.3546 0.7765 0.7775 1.5155 1.5164 1.6887 1.6909 2.0537 2.0551 2.5164 2.5172 3.0145 3.0187 3.1283 3.1327 3.8164 3.8166 6.9733 6.9738 7.5667 7.5669 7.5771 7.5783 8.3333 8.3337 k =-0.0244 0.0268 0.7427 ( 17462 PWs) bands (ev): -40.5764 -40.5764 -11.2881 -11.2880 -8.7188 -8.7187 -8.5225 -8.5224 -8.2067 -8.2065 -4.1634 -4.1617 -2.5613 -2.5479 -2.3783 -2.3454 -2.1786 -2.1353 -2.1095 -2.0920 -1.9348 -1.9278 -1.7404 -1.7311 -0.7381 -0.7338 -0.3586 -0.3537 0.7702 0.7721 1.5093 1.5110 1.6896 1.6940 2.0535 2.0563 2.5208 2.5223 3.0081 3.0160 3.1305 3.1389 3.8132 3.8136 6.9734 6.9742 7.5721 7.5725 7.5802 7.5825 8.3329 8.3337 k =-0.0366 0.0402 0.7427 ( 17452 PWs) bands (ev): -40.5764 -40.5764 -11.2881 -11.2880 -8.7179 -8.7177 -8.5227 -8.5225 -8.2082 -8.2080 -4.1637 -4.1612 -2.5635 -2.5437 -2.3851 -2.3365 -2.1898 -2.1329 -2.1045 -2.0848 -1.9353 -1.9247 -1.7401 -1.7262 -0.7385 -0.7320 -0.3603 -0.3531 0.7602 0.7630 1.4995 1.5021 1.6919 1.6984 2.0537 2.0578 2.5283 2.5304 2.9999 3.0105 3.1355 3.1467 3.8079 3.8085 6.9736 6.9748 7.5795 7.5803 7.5875 7.5900 8.3322 8.3335 k =-0.0487 0.0535 0.7427 ( 17460 PWs) bands (ev): -40.5764 -40.5764 -11.2882 -11.2881 -8.7165 -8.7162 -8.5229 -8.5227 -8.2103 -8.2100 -4.1639 -4.1605 -2.5652 -2.5393 -2.3910 -2.3276 -2.2002 -2.1352 -2.0957 -2.0764 -1.9353 -1.9209 -1.7385 -1.7203 -0.7385 -0.7300 -0.3622 -0.3526 0.7466 0.7502 1.4866 1.4899 1.6953 1.7040 2.0541 2.0595 2.5385 2.5412 2.9904 3.0028 3.1423 3.1556 3.8006 3.8014 6.9739 6.9754 7.5863 7.5889 7.6006 7.6027 8.3312 8.3329 k =-0.0609 0.0669 0.7427 ( 17486 PWs) bands (ev): -40.5764 -40.5764 -11.2883 -11.2881 -8.7148 -8.7144 -8.5232 -8.5230 -8.2130 -8.2126 -4.1641 -4.1599 -2.5663 -2.5349 -2.3960 -2.3189 -2.2096 -2.1389 -2.0869 -2.0663 -1.9348 -1.9167 -1.7358 -1.7133 -0.7382 -0.7278 -0.3642 -0.3523 0.7298 0.7341 1.4711 1.4750 1.6997 1.7104 2.0547 2.0613 2.5510 2.5542 2.9800 2.9937 3.1505 3.1652 3.7914 3.7924 6.9742 6.9760 7.5935 7.5975 7.6186 7.6206 8.3296 8.3317 k =-0.0731 0.0803 0.7427 ( 17478 PWs) bands (ev): -40.5764 -40.5764 -11.2884 -11.2882 -8.7127 -8.7122 -8.5235 -8.5232 -8.2163 -8.2157 -4.1643 -4.1594 -2.5669 -2.5304 -2.4000 -2.3106 -2.2178 -2.1429 -2.0793 -2.0546 -1.9338 -1.9118 -1.7317 -1.7052 -0.7375 -0.7253 -0.3663 -0.3523 0.7098 0.7148 1.4536 1.4581 1.7048 1.7176 2.0552 2.0630 2.5656 2.5691 2.9691 2.9836 3.1595 3.1752 3.7803 3.7815 6.9743 6.9764 7.6012 7.6063 7.6407 7.6429 8.3272 8.3297 k =-0.0853 0.0937 0.7427 ( 17466 PWs) bands (ev): -40.5764 -40.5764 -11.2885 -11.2883 -8.7102 -8.7097 -8.5238 -8.5235 -8.2201 -8.2194 -4.1645 -4.1589 -2.5670 -2.5262 -2.4027 -2.3030 -2.2246 -2.1470 -2.0729 -2.0421 -1.9323 -1.9065 -1.7261 -1.6961 -0.7363 -0.7226 -0.3686 -0.3525 0.6871 0.6927 1.4346 1.4396 1.7105 1.7252 2.0556 2.0646 2.5816 2.5854 2.9580 2.9730 3.1689 3.1853 3.7675 3.7689 6.9742 6.9765 7.6093 7.6152 7.6667 7.6691 8.3239 8.3267 k =-0.0975 0.1071 0.7427 ( 17456 PWs) bands (ev): -40.5764 -40.5764 -11.2886 -11.2884 -8.7074 -8.7068 -8.5241 -8.5238 -8.2244 -8.2236 -4.1649 -4.1585 -2.5665 -2.5222 -2.4042 -2.2966 -2.2296 -2.1508 -2.0674 -2.0294 -1.9303 -1.9007 -1.7191 -1.6858 -0.7348 -0.7196 -0.3709 -0.3529 0.6621 0.6680 1.4148 1.4203 1.7165 1.7330 2.0559 2.0660 2.5988 2.6027 2.9469 2.9622 3.1785 3.1953 3.7532 3.7547 6.9737 6.9761 7.6172 7.6239 7.6963 7.6989 8.3193 8.3226 k =-0.1097 0.1205 0.7427 ( 17444 PWs) bands (ev): -40.5764 -40.5764 -11.2888 -11.2886 -8.7042 -8.7035 -8.5244 -8.5241 -8.2292 -8.2284 -4.1653 -4.1583 -2.5656 -2.5187 -2.4044 -2.2916 -2.2325 -2.1543 -2.0626 -2.0170 -1.9275 -1.8946 -1.7105 -1.6745 -0.7327 -0.7164 -0.3733 -0.3535 0.6349 0.6412 1.3946 1.4005 1.7224 1.7407 2.0560 2.0673 2.6166 2.6206 2.9358 2.9514 3.1881 3.2053 3.7373 3.7390 6.9724 6.9750 7.6245 7.6318 7.7293 7.7321 8.3135 8.3171 k =-0.1219 0.1339 0.7427 ( 17432 PWs) bands (ev): -40.5764 -40.5764 -11.2890 -11.2887 -8.7007 -8.6999 -8.5247 -8.5244 -8.2345 -8.2336 -4.1660 -4.1583 -2.5641 -2.5157 -2.4034 -2.2882 -2.2331 -2.1574 -2.0584 -2.0055 -1.9240 -1.8882 -1.7004 -1.6621 -0.7302 -0.7128 -0.3757 -0.3542 0.6059 0.6126 1.3745 1.3808 1.7282 1.7481 2.0560 2.0685 2.6346 2.6386 2.9250 2.9407 3.1977 3.2150 3.7202 3.7219 6.9701 6.9728 7.6307 7.6384 7.7655 7.7686 8.3065 8.3103 k =-0.1341 0.1473 0.7427 ( 17428 PWs) bands (ev): -40.5764 -40.5764 -11.2892 -11.2889 -8.6969 -8.6960 -8.5249 -8.5246 -8.2403 -8.2393 -4.1668 -4.1586 -2.5621 -2.5131 -2.4013 -2.2864 -2.2317 -2.1601 -2.0546 -1.9950 -1.9195 -1.8818 -1.6886 -1.6486 -0.7271 -0.7090 -0.3782 -0.3552 0.5756 0.5825 1.3550 1.3617 1.7335 1.7549 2.0558 2.0694 2.6526 2.6565 2.9145 2.9302 3.2071 3.2244 3.7018 3.7036 6.9666 6.9695 7.6353 7.6435 7.8047 7.8079 8.2984 8.3024 k =-0.1462 0.1606 0.7427 ( 17430 PWs) bands (ev): -40.5764 -40.5764 -11.2894 -11.2891 -8.6927 -8.6917 -8.5251 -8.5247 -8.2465 -8.2454 -4.1680 -4.1592 -2.5597 -2.5110 -2.3983 -2.2856 -2.2286 -2.1623 -2.0513 -1.9859 -1.9140 -1.8752 -1.6754 -1.6341 -0.7234 -0.7048 -0.3806 -0.3564 0.5441 0.5512 1.3366 1.3436 1.7381 1.7608 2.0556 2.0702 2.6701 2.6740 2.9044 2.9201 3.2162 3.2336 3.6824 3.6843 6.9614 6.9645 7.6382 7.6465 7.8466 7.8500 8.2895 8.2934 k =-0.1584 0.1740 0.7427 ( 17434 PWs) bands (ev): -40.5764 -40.5764 -11.2896 -11.2893 -8.6883 -8.6872 -8.5251 -8.5248 -8.2531 -8.2519 -4.1694 -4.1602 -2.5569 -2.5092 -2.3949 -2.2852 -2.2247 -2.1639 -2.0484 -1.9784 -1.9074 -1.8685 -1.6607 -1.6186 -0.7191 -0.7003 -0.3830 -0.3577 0.5119 0.5191 1.3195 1.3269 1.7419 1.7657 2.0553 2.0709 2.6869 2.6908 2.8947 2.9103 3.2250 3.2423 3.6621 3.6641 6.9544 6.9577 7.6389 7.6474 7.8910 7.8944 8.2799 8.2837 k =-0.1706 0.1874 0.7427 ( 17430 PWs) bands (ev): -40.5764 -40.5764 -11.2899 -11.2896 -8.6836 -8.6824 -8.5251 -8.5247 -8.2601 -8.2588 -4.1711 -4.1615 -2.5537 -2.5076 -2.3912 -2.2846 -2.2205 -2.1647 -2.0457 -1.9723 -1.9000 -1.8617 -1.6448 -1.6022 -0.7143 -0.6954 -0.3854 -0.3593 0.4793 0.4866 1.3042 1.3119 1.7445 1.7693 2.0550 2.0715 2.7028 2.7066 2.8855 2.9009 3.2334 3.2507 3.6411 3.6432 6.9453 6.9489 7.6376 7.6460 7.9375 7.9410 8.2700 8.2734 k =-0.1828 0.2008 0.7427 ( 17444 PWs) bands (ev): -40.5764 -40.5764 -11.2902 -11.2899 -8.6786 -8.6774 -8.5249 -8.5245 -8.2674 -8.2661 -4.1732 -4.1633 -2.5503 -2.5061 -2.3877 -2.2836 -2.2163 -2.1647 -2.0434 -1.9677 -1.8921 -1.8546 -1.6277 -1.5850 -0.7089 -0.6902 -0.3878 -0.3610 0.4466 0.4539 1.2908 1.2988 1.7459 1.7714 2.0547 2.0720 2.7177 2.7214 2.8767 2.8919 3.2414 3.2586 3.6196 3.6216 6.9339 6.9378 7.6343 7.6425 7.9858 7.9894 8.2596 8.2625 k =-0.1950 0.2142 0.7427 ( 17456 PWs) bands (ev): -40.5764 -40.5764 -11.2905 -11.2902 -8.6734 -8.6721 -8.5246 -8.5242 -8.2751 -8.2737 -4.1757 -4.1655 -2.5465 -2.5046 -2.3846 -2.2820 -2.2125 -2.1638 -2.0413 -1.9641 -1.8841 -1.8472 -1.6096 -1.5671 -0.7029 -0.6846 -0.3902 -0.3631 0.4141 0.4214 1.2797 1.2881 1.7459 1.7719 2.0546 2.0724 2.7313 2.7351 2.8682 2.8833 3.2491 3.2661 3.5977 3.5997 6.9202 6.9244 7.6292 7.6372 8.0356 8.0392 8.2487 8.2509 k =-0.2072 0.2276 0.7427 ( 17448 PWs) bands (ev): -40.5764 -40.5764 -11.2909 -11.2905 -8.6680 -8.6666 -8.5242 -8.5238 -8.2831 -8.2815 -4.1786 -4.1682 -2.5426 -2.5029 -2.3819 -2.2800 -2.2090 -2.1620 -2.0394 -1.9615 -1.8763 -1.8394 -1.5907 -1.5485 -0.6964 -0.6786 -0.3927 -0.3654 0.3822 0.3895 1.2711 1.2797 1.7443 1.7706 2.0547 2.0728 2.7436 2.7474 2.8601 2.8749 3.2562 3.2731 3.5756 3.5776 6.9040 6.9086 7.6228 7.6304 8.0865 8.0902 8.2367 8.2383 k =-0.2072 0.2276 0.7427 ( 17448 PWs) bands (ev): -40.5764 -40.5764 -11.2909 -11.2905 -8.6680 -8.6666 -8.5242 -8.5238 -8.2831 -8.2815 -4.1786 -4.1682 -2.5426 -2.5029 -2.3819 -2.2800 -2.2090 -2.1620 -2.0394 -1.9615 -1.8763 -1.8394 -1.5907 -1.5485 -0.6964 -0.6786 -0.3927 -0.3654 0.3822 0.3895 1.2711 1.2797 1.7443 1.7706 2.0547 2.0728 2.7436 2.7474 2.8601 2.8749 3.2562 3.2731 3.5756 3.5776 6.9040 6.9086 7.6228 7.6304 8.0865 8.0902 8.2367 8.2383 k =-0.2158 0.2370 0.7300 ( 17448 PWs) bands (ev): -40.5764 -40.5764 -11.2912 -11.2909 -8.6624 -8.6609 -8.5269 -8.5264 -8.2873 -8.2856 -4.1813 -4.1708 -2.5364 -2.5035 -2.3780 -2.2780 -2.2038 -2.1632 -2.0388 -1.9605 -1.8681 -1.8300 -1.5868 -1.5401 -0.6968 -0.6794 -0.3842 -0.3569 0.3601 0.3674 1.2626 1.2716 1.7348 1.7611 2.0674 2.0860 2.7602 2.7641 2.8451 2.8594 3.2606 3.2777 3.5565 3.5581 6.8901 6.8950 7.6172 7.6244 8.1256 8.1297 8.2476 8.2490 k =-0.2244 0.2465 0.7172 ( 17466 PWs) bands (ev): -40.5764 -40.5764 -11.2917 -11.2914 -8.6567 -8.6551 -8.5294 -8.5289 -8.2911 -8.2892 -4.1845 -4.1740 -2.5300 -2.5042 -2.3751 -2.2766 -2.1984 -2.1631 -2.0387 -1.9598 -1.8619 -1.8203 -1.5810 -1.5307 -0.6975 -0.6805 -0.3767 -0.3494 0.3396 0.3469 1.2541 1.2632 1.7263 1.7525 2.0814 2.1006 2.7739 2.7780 2.8295 2.8437 3.2622 3.2795 3.5394 3.5409 6.8761 6.8813 7.6118 7.6185 8.1608 8.1676 8.2539 8.2571 k =-0.2330 0.2560 0.7044 ( 17480 PWs) bands (ev): -40.5764 -40.5764 -11.2924 -11.2920 -8.6512 -8.6495 -8.5317 -8.5311 -8.2944 -8.2924 -4.1883 -4.1778 -2.5236 -2.5047 -2.3731 -2.2757 -2.1939 -2.1607 -2.0387 -1.9591 -1.8573 -1.8114 -1.5728 -1.5201 -0.6984 -0.6820 -0.3703 -0.3431 0.3209 0.3282 1.2457 1.2548 1.7188 1.7449 2.0964 2.1164 2.7838 2.7879 2.8147 2.8292 3.2602 3.2778 3.5250 3.5273 6.8622 6.8676 7.6068 7.6129 8.1828 8.1950 8.2594 8.2677 k =-0.2416 0.2654 0.6916 ( 17478 PWs) bands (ev): -40.5764 -40.5764 -11.2931 -11.2928 -8.6459 -8.6441 -8.5336 -8.5330 -8.2974 -8.2953 -4.1924 -4.1820 -2.5178 -2.5046 -2.3719 -2.2755 -2.1914 -2.1555 -2.0390 -1.9586 -1.8538 -1.8042 -1.5616 -1.5082 -0.6999 -0.6840 -0.3649 -0.3379 0.3039 0.3113 1.2376 1.2466 1.7122 1.7383 2.1118 2.1327 2.7862 2.7890 2.8064 2.8197 3.2544 3.2721 3.5144 3.5180 6.8484 6.8541 7.6022 7.6078 8.1806 8.1939 8.2801 8.2898 k =-0.2502 0.2749 0.6788 ( 17486 PWs) bands (ev): -40.5764 -40.5764 -11.2940 -11.2936 -8.6410 -8.6392 -8.5351 -8.5344 -8.3001 -8.2979 -4.1968 -4.1866 -2.5142 -2.5022 -2.3714 -2.2757 -2.1908 -2.1478 -2.0395 -1.9582 -1.8513 -1.7993 -1.5473 -1.4948 -0.7018 -0.6867 -0.3606 -0.3339 0.2887 0.2961 1.2298 1.2387 1.7068 1.7326 2.1273 2.1492 2.7754 2.7803 2.8086 2.8187 3.2447 3.2625 3.5079 3.5130 6.8349 6.8408 7.5984 7.6034 8.1583 8.1691 8.3125 8.3203 k =-0.2589 0.2843 0.6660 ( 17480 PWs) bands (ev): -40.5764 -40.5764 -11.2949 -11.2945 -8.6368 -8.6348 -8.5360 -8.5352 -8.3025 -8.3001 -4.2013 -4.1913 -2.5134 -2.4972 -2.3715 -2.2764 -2.1914 -2.1387 -2.0401 -1.9579 -1.8495 -1.7969 -1.5301 -1.4799 -0.7044 -0.6899 -0.3575 -0.3311 0.2752 0.2826 1.2226 1.2312 1.7023 1.7280 2.1422 2.1652 2.7612 2.7676 2.8119 2.8211 3.2316 3.2494 3.5055 3.5121 6.8218 6.8280 7.5954 7.5998 8.1255 8.1341 8.3462 8.3524 k =-0.2675 0.2938 0.6532 ( 17483 PWs) bands (ev): -40.5764 -40.5764 -11.2958 -11.2954 -8.6332 -8.6312 -8.5362 -8.5353 -8.3047 -8.3022 -4.2059 -4.1961 -2.5141 -2.4908 -2.3721 -2.2773 -2.1926 -2.1292 -2.0406 -1.9577 -1.8483 -1.7967 -1.5103 -1.4636 -0.7075 -0.6939 -0.3556 -0.3297 0.2634 0.2708 1.2161 1.2243 1.6989 1.7244 2.1559 2.1801 2.7477 2.7548 2.8139 2.8231 3.2159 3.2337 3.5065 3.5145 6.8095 6.8158 7.5935 7.5973 8.0877 8.0947 8.3780 8.3830 k =-0.2761 0.3033 0.6404 ( 17473 PWs) bands (ev): -40.5764 -40.5764 -11.2967 -11.2963 -8.6305 -8.6284 -8.5357 -8.5346 -8.3067 -8.3041 -4.2104 -4.2009 -2.5152 -2.4841 -2.3731 -2.2784 -2.1941 -2.1200 -2.0410 -1.9576 -1.8479 -1.7983 -1.4885 -1.4459 -0.7113 -0.6984 -0.3551 -0.3295 0.2533 0.2607 1.2103 1.2180 1.6967 1.7219 2.1680 2.1934 2.7360 2.7435 2.8142 2.8235 3.1987 3.2165 3.5101 3.5193 6.7979 6.8044 7.5927 7.5959 8.0479 8.0538 8.4071 8.4112 k =-0.2847 0.3127 0.6276 ( 17474 PWs) bands (ev): -40.5764 -40.5764 -11.2976 -11.2972 -8.6287 -8.6265 -8.5343 -8.5330 -8.3085 -8.3058 -4.2147 -4.2055 -2.5165 -2.4776 -2.3744 -2.2796 -2.1958 -2.1116 -2.0412 -1.9577 -1.8479 -1.8013 -1.4654 -1.4271 -0.7154 -0.7035 -0.3559 -0.3308 0.2448 0.2522 1.2053 1.2124 1.6955 1.7204 2.1778 2.2044 2.7267 2.7346 2.8129 2.8224 3.1809 3.1987 3.5155 3.5256 6.7873 6.7940 7.5932 7.5959 8.0076 8.0128 8.4332 8.4367 k =-0.2933 0.3222 0.6148 ( 17474 PWs) bands (ev): -40.5764 -40.5764 -11.2984 -11.2981 -8.6277 -8.6255 -8.5321 -8.5307 -8.3103 -8.3075 -4.2187 -4.2098 -2.5180 -2.4712 -2.3760 -2.2808 -2.1975 -2.1043 -2.0408 -1.9578 -1.8485 -1.8053 -1.4415 -1.4073 -0.7197 -0.7089 -0.3582 -0.3336 0.2379 0.2452 1.2011 1.2076 1.6956 1.7201 2.1848 2.2125 2.7202 2.7285 2.8100 2.8198 3.1636 3.1812 3.5218 3.5327 6.7778 6.7847 7.5950 7.5973 7.9680 7.9729 8.4564 8.4594 k =-0.3019 0.3317 0.6020 ( 17479 PWs) bands (ev): -40.5764 -40.5764 -11.2992 -11.2988 -8.6275 -8.6252 -8.5292 -8.5277 -8.3121 -8.3092 -4.2223 -4.2137 -2.5196 -2.4653 -2.3778 -2.2818 -2.1992 -2.0986 -2.0397 -1.9581 -1.8495 -1.8100 -1.4176 -1.3871 -0.7240 -0.7144 -0.3621 -0.3379 0.2324 0.2397 1.1978 1.2037 1.6968 1.7209 2.1886 2.2173 2.7169 2.7256 2.8059 2.8159 3.1474 3.1648 3.5286 3.5401 6.7696 6.7767 7.5982 7.6003 7.9298 7.9345 8.4764 8.4790 k =-0.3105 0.3411 0.5892 ( 17472 PWs) bands (ev): -40.5764 -40.5764 -11.2999 -11.2995 -8.6280 -8.6257 -8.5258 -8.5241 -8.3138 -8.3109 -4.2255 -4.2172 -2.5211 -2.4599 -2.3797 -2.2827 -2.2008 -2.0946 -2.0379 -1.9585 -1.8509 -1.8148 -1.3942 -1.3670 -0.7278 -0.7196 -0.3675 -0.3439 0.2282 0.2355 1.1955 1.2006 1.6993 1.7229 2.1890 2.2186 2.7168 2.7258 2.8006 2.8108 3.1330 3.1501 3.5353 3.5473 6.7629 6.7700 7.6029 7.6051 7.8935 7.8981 8.4933 8.4956 k =-0.3191 0.3506 0.5764 ( 17469 PWs) bands (ev): -40.5764 -40.5764 -11.3005 -11.3001 -8.6290 -8.6267 -8.5219 -8.5201 -8.3156 -8.3126 -4.2282 -4.2201 -2.5227 -2.4552 -2.3817 -2.2833 -2.2024 -2.0924 -2.0352 -1.9590 -1.8525 -1.8197 -1.3722 -1.3475 -0.7308 -0.7242 -0.3745 -0.3514 0.2253 0.2325 1.1941 1.1984 1.7032 1.7262 2.1861 2.2161 2.7196 2.7289 2.7945 2.8049 3.1208 3.1376 3.5416 3.5539 6.7577 6.7648 7.6090 7.6116 7.8594 7.8642 8.5070 8.5090 k =-0.3278 0.3600 0.5636 ( 17460 PWs) bands (ev): -40.5764 -40.5764 -11.3009 -11.3006 -8.6305 -8.6281 -8.5177 -8.5159 -8.3174 -8.3144 -4.2303 -4.2225 -2.5244 -2.4512 -2.3837 -2.2836 -2.2039 -2.0917 -2.0320 -1.9596 -1.8542 -1.8244 -1.3520 -1.3294 -0.7325 -0.7275 -0.3831 -0.3604 0.2235 0.2306 1.1935 1.1970 1.7083 1.7307 2.1800 2.2102 2.7250 2.7344 2.7879 2.7984 3.1114 3.1277 3.5471 3.5597 6.7540 6.7612 7.6167 7.6199 7.8280 7.8330 8.5173 8.5192 k =-0.3364 0.3695 0.5508 ( 17466 PWs) bands (ev): -40.5764 -40.5764 -11.3013 -11.3009 -8.6322 -8.6298 -8.5135 -8.5116 -8.3193 -8.3163 -4.2318 -4.2241 -2.5260 -2.4482 -2.3855 -2.2836 -2.2054 -2.0922 -2.0284 -1.9604 -1.8561 -1.8287 -1.3344 -1.3135 -0.7325 -0.7290 -0.3931 -0.3710 0.2226 0.2297 1.1939 1.1965 1.7148 1.7365 2.1710 2.2011 2.7322 2.7414 2.7811 2.7918 3.1051 3.1208 3.5517 3.5645 6.7520 6.7592 7.6256 7.6297 7.7995 7.8050 8.5242 8.5259 k =-0.3450 0.3790 0.5380 ( 17470 PWs) bands (ev): -40.5764 -40.5764 -11.3015 -11.3012 -8.6340 -8.6317 -8.5093 -8.5074 -8.3212 -8.3182 -4.2327 -4.2250 -2.5276 -2.4461 -2.3871 -2.2833 -2.2068 -2.0938 -2.0249 -1.9611 -1.8580 -1.8324 -1.3199 -1.3004 -0.7307 -0.7277 -0.4045 -0.3829 0.2227 0.2297 1.1950 1.1969 1.7227 1.7434 2.1595 2.1892 2.7403 2.7484 2.7749 2.7860 3.1021 3.1171 3.5553 3.5681 6.7516 6.7588 7.6356 7.6407 7.7747 7.7807 8.5277 8.5293 k =-0.3536 0.3884 0.5253 ( 17466 PWs) bands (ev): -40.5764 -40.5764 -11.3015 -11.3012 -8.6360 -8.6337 -8.5053 -8.5034 -8.3231 -8.3201 -4.2329 -4.2253 -2.5292 -2.4452 -2.3883 -2.2826 -2.2081 -2.0961 -2.0217 -1.9618 -1.8599 -1.8356 -1.3090 -1.2908 -0.7271 -0.7227 -0.4171 -0.3961 0.2235 0.2305 1.1970 1.1980 1.7317 1.7515 2.1459 2.1750 2.7478 2.7521 2.7710 2.7834 3.1025 3.1168 3.5577 3.5705 6.7528 6.7599 7.6455 7.6517 7.7546 7.7612 8.5278 8.5292 k =-0.3536 0.3884 0.5253 ( 17466 PWs) bands (ev): -40.5764 -40.5764 -11.3015 -11.3012 -8.6360 -8.6337 -8.5053 -8.5034 -8.3231 -8.3201 -4.2329 -4.2253 -2.5292 -2.4452 -2.3883 -2.2826 -2.2081 -2.0961 -2.0217 -1.9618 -1.8599 -1.8356 -1.3090 -1.2908 -0.7271 -0.7227 -0.4171 -0.3961 0.2235 0.2305 1.1970 1.1980 1.7317 1.7515 2.1459 2.1750 2.7478 2.7521 2.7710 2.7834 3.1025 3.1168 3.5577 3.5705 6.7528 6.7599 7.6455 7.6517 7.7546 7.7612 8.5278 8.5292 k =-0.3445 0.3785 0.5118 ( 17474 PWs) bands (ev): -40.5764 -40.5764 -11.3030 -11.3027 -8.6430 -8.6407 -8.5044 -8.5025 -8.3099 -8.3069 -4.2333 -4.2258 -2.5336 -2.4457 -2.3892 -2.2825 -2.2151 -2.0963 -2.0218 -1.9617 -1.8672 -1.8502 -1.3124 -1.2953 -0.7454 -0.7403 -0.4148 -0.3935 0.2488 0.2562 1.1642 1.1653 1.7569 1.7785 2.1596 2.1908 2.7496 2.7519 2.7566 2.7737 3.0890 3.1050 3.5731 3.5861 6.7816 6.7889 7.6440 7.6506 7.7789 7.7860 8.5080 8.5090 k =-0.3355 0.3685 0.4983 ( 17494 PWs) bands (ev): -40.5764 -40.5764 -11.3048 -11.3045 -8.6493 -8.6471 -8.5032 -8.5014 -8.2966 -8.2936 -4.2349 -4.2275 -2.5377 -2.4463 -2.3901 -2.2840 -2.2208 -2.0965 -2.0220 -1.9618 -1.8755 -1.8644 -1.3153 -1.2996 -0.7637 -0.7577 -0.4137 -0.3921 0.2771 0.2849 1.1340 1.1354 1.7819 1.8051 2.1745 2.2078 2.7301 2.7356 2.7577 2.7724 3.0773 3.0949 3.5863 3.5995 6.8120 6.8194 7.6440 7.6510 7.8035 7.8111 8.4861 8.4872 k =-0.3264 0.3585 0.4849 ( 17482 PWs) bands (ev): -40.5764 -40.5764 -11.3070 -11.3066 -8.6548 -8.6527 -8.5019 -8.5000 -8.2831 -8.2801 -4.2377 -4.2306 -2.5414 -2.4471 -2.3911 -2.2872 -2.2247 -2.0967 -2.0222 -1.9621 -1.8872 -1.8754 -1.3179 -1.3038 -0.7819 -0.7750 -0.4136 -0.3918 0.3082 0.3163 1.1066 1.1082 1.8063 1.8311 2.1907 2.2258 2.7096 2.7165 2.7535 2.7687 3.0669 3.0858 3.5971 3.6103 6.8440 6.8515 7.6461 7.6536 7.8280 7.8363 8.4627 8.4642 k =-0.3173 0.3486 0.4714 ( 17470 PWs) bands (ev): -40.5764 -40.5764 -11.3095 -11.3091 -8.6596 -8.6576 -8.5002 -8.4984 -8.2694 -8.2665 -4.2419 -4.2351 -2.5445 -2.4482 -2.3921 -2.2920 -2.2267 -2.0968 -2.0225 -1.9627 -1.9023 -1.8828 -1.3205 -1.3082 -0.8000 -0.7921 -0.4144 -0.3924 0.3418 0.3502 1.0820 1.0840 1.8297 1.8558 2.2083 2.2450 2.6893 2.6968 2.7446 2.7609 3.0572 3.0772 3.6051 3.6183 6.8774 6.8850 7.6508 7.6589 7.8523 7.8611 8.4378 8.4398 k =-0.3083 0.3386 0.4579 ( 17468 PWs) bands (ev): -40.5764 -40.5764 -11.3123 -11.3120 -8.6634 -8.6615 -8.4984 -8.4966 -8.2557 -8.2528 -4.2475 -4.2411 -2.5472 -2.4496 -2.3933 -2.2980 -2.2270 -2.0969 -2.0230 -1.9637 -1.9180 -1.8888 -1.3232 -1.3127 -0.8179 -0.8090 -0.4160 -0.3938 0.3775 0.3862 1.0604 1.0627 1.8519 1.8788 2.2276 2.2654 2.6694 2.6773 2.7320 2.7496 3.0473 3.0681 3.6098 3.6232 6.9121 6.9196 7.6589 7.6674 7.8761 7.8855 8.4112 8.4138 k =-0.2992 0.3287 0.4444 ( 17466 PWs) bands (ev): -40.5764 -40.5764 -11.3156 -11.3153 -8.6663 -8.6644 -8.4964 -8.4946 -8.2419 -8.2390 -4.2546 -4.2487 -2.5492 -2.4513 -2.3945 -2.3044 -2.2259 -2.0970 -2.0237 -1.9655 -1.9332 -1.8941 -1.3260 -1.3174 -0.8356 -0.8256 -0.4181 -0.3957 0.4149 0.4238 1.0418 1.0444 1.8725 1.8998 2.2485 2.2870 2.6503 2.6583 2.7170 2.7356 3.0367 3.0580 3.6112 3.6246 6.9478 6.9552 7.6706 7.6796 7.8994 7.9094 8.3828 8.3859 k =-0.2901 0.3187 0.4310 ( 17466 PWs) bands (ev): -40.5764 -40.5764 -11.3193 -11.3190 -8.6681 -8.6664 -8.4942 -8.4925 -8.2280 -8.2252 -4.2632 -4.2578 -2.5507 -2.4534 -2.3958 -2.3108 -2.2239 -2.0971 -2.0246 -1.9693 -1.9461 -1.8988 -1.3289 -1.3223 -0.8531 -0.8420 -0.4206 -0.3980 0.4533 0.4625 1.0263 1.0292 1.8913 1.9185 2.2712 2.3097 2.6323 2.6398 2.7005 2.7200 3.0248 3.0465 3.6090 3.6225 6.9844 6.9916 7.6862 7.6956 7.9222 7.9327 8.3522 8.3556 k =-0.2811 0.3087 0.4175 ( 17478 PWs) bands (ev): -40.5764 -40.5764 -11.3234 -11.3231 -8.6689 -8.6672 -8.4918 -8.4902 -8.2142 -8.2114 -4.2734 -4.2685 -2.5515 -2.4560 -2.3971 -2.3168 -2.2211 -2.0972 -2.0258 -1.9774 -1.9543 -1.9031 -1.3320 -1.3274 -0.8704 -0.8582 -0.4233 -0.4005 0.4922 0.5016 1.0138 1.0170 1.9084 1.9348 2.2954 2.3331 2.6153 2.6219 2.6836 2.7037 3.0114 3.0335 3.6030 3.6166 7.0218 7.0287 7.7057 7.7153 7.9446 7.9556 8.3191 8.3229 k =-0.2720 0.2988 0.4040 ( 17486 PWs) bands (ev): -40.5764 -40.5764 -11.3279 -11.3276 -8.6686 -8.6670 -8.4894 -8.4877 -8.2004 -8.1976 -4.2851 -4.2808 -2.5517 -2.4590 -2.3982 -2.3221 -2.2179 -2.0973 -2.0274 -1.9891 -1.9581 -1.9069 -1.3353 -1.3325 -0.8875 -0.8742 -0.4261 -0.4032 0.5309 0.5404 1.0043 1.0078 1.9237 1.9489 2.3210 2.3570 2.5994 2.6047 2.6671 2.6876 2.9966 3.0189 3.5933 3.6070 7.0597 7.0663 7.7289 7.7387 7.9666 7.9778 8.2839 8.2876 k =-0.2629 0.2888 0.3906 ( 17472 PWs) bands (ev): -40.5764 -40.5764 -11.3327 -11.3325 -8.6672 -8.6657 -8.4868 -8.4852 -8.1867 -8.1839 -4.2983 -4.2946 -2.5512 -2.4624 -2.3992 -2.3266 -2.2142 -2.0975 -2.0297 -2.0016 -1.9599 -1.9103 -1.3391 -1.3372 -0.9044 -0.8900 -0.4289 -0.4059 0.5687 0.5783 0.9976 1.0016 1.9377 1.9613 2.3471 2.3803 2.5841 2.5891 2.6519 2.6725 2.9807 3.0032 3.5797 3.5936 7.0981 7.1042 7.7553 7.7650 7.9883 7.9994 8.2469 8.2502 k =-0.2539 0.2789 0.3771 ( 17490 PWs) bands (ev): -40.5764 -40.5764 -11.3380 -11.3377 -8.6647 -8.6632 -8.4841 -8.4825 -8.1730 -8.1703 -4.3129 -4.3099 -2.5500 -2.4660 -2.4000 -2.3304 -2.2103 -2.0978 -2.0330 -2.0130 -1.9611 -1.9133 -1.3437 -1.3408 -0.9210 -0.9056 -0.4316 -0.4085 0.6047 0.6143 0.9937 0.9982 1.9510 1.9727 2.3724 2.4013 2.5692 2.5771 2.6384 2.6590 2.9640 2.9868 3.5624 3.5766 7.1368 7.1424 7.7839 7.7933 8.0093 8.0198 8.2096 8.2118 k =-0.2448 0.2689 0.3636 ( 17508 PWs) bands (ev): -40.5764 -40.5764 -11.3436 -11.3434 -8.6610 -8.6596 -8.4813 -8.4798 -8.1595 -8.1569 -4.3290 -4.3266 -2.5483 -2.4696 -2.4006 -2.3333 -2.2061 -2.0984 -2.0386 -2.0217 -1.9620 -1.9159 -1.3486 -1.3437 -0.9375 -0.9211 -0.4340 -0.4109 0.6382 0.6478 0.9922 0.9972 1.9643 1.9840 2.3942 2.4172 2.5568 2.5705 2.6267 2.6473 2.9471 2.9703 3.5415 3.5562 7.1756 7.1806 7.8130 7.8219 8.0287 8.0375 8.1746 8.1753 k =-0.2357 0.2589 0.3502 ( 17505 PWs) bands (ev): -40.5764 -40.5764 -11.3495 -11.3493 -8.6563 -8.6550 -8.4785 -8.4771 -8.1462 -8.1436 -4.3464 -4.3446 -2.5458 -2.4732 -2.4009 -2.3356 -2.2018 -2.0994 -2.0464 -2.0271 -1.9627 -1.9182 -1.3532 -1.3461 -0.9537 -0.9365 -0.4361 -0.4130 0.6687 0.6782 0.9925 0.9981 1.9787 1.9963 2.4085 2.4241 2.5516 2.5722 2.6167 2.6374 2.9308 2.9545 3.5174 3.5326 7.2142 7.2187 7.8395 7.8474 8.0442 8.0491 8.1445 8.1501 k =-0.2267 0.2490 0.3367 ( 17499 PWs) bands (ev): -40.5764 -40.5764 -11.3557 -11.3555 -8.6505 -8.6492 -8.4757 -8.4743 -8.1330 -8.1305 -4.3650 -4.3638 -2.5429 -2.4764 -2.4011 -2.3374 -2.1974 -2.1012 -2.0545 -2.0308 -1.9633 -1.9202 -1.3574 -1.3481 -0.9697 -0.9517 -0.4378 -0.4148 0.6956 0.7050 0.9940 1.0000 1.9952 2.0107 2.4110 2.4199 2.5576 2.5836 2.6077 2.6288 2.9159 2.9401 3.4904 3.5062 7.2525 7.2565 7.8572 7.8637 8.0505 8.0528 8.1310 8.1435 k =-0.2176 0.2390 0.3232 ( 17503 PWs) bands (ev): -40.5764 -40.5764 -11.3622 -11.3621 -8.6437 -8.6425 -8.4728 -8.4715 -8.1201 -8.1176 -4.3847 -4.3841 -2.5394 -2.4792 -2.4010 -2.3386 -2.1929 -2.1041 -2.0614 -2.0337 -1.9640 -1.9219 -1.3610 -1.3493 -0.9856 -0.9668 -0.4390 -0.4162 0.7188 0.7281 0.9955 1.0021 2.0148 2.0284 2.4015 2.4066 2.5741 2.5989 2.6028 2.6212 2.9031 2.9281 3.4609 3.4776 7.2901 7.2935 7.8567 7.8625 8.0532 8.0571 8.1382 8.1542 k =-0.2085 0.2291 0.3098 ( 17509 PWs) bands (ev): -40.5764 -40.5764 -11.3690 -11.3688 -8.6359 -8.6348 -8.4700 -8.4687 -8.1074 -8.1051 -4.4055 -4.4053 -2.5355 -2.4815 -2.4008 -2.3395 -2.1886 -2.1084 -2.0664 -2.0365 -1.9646 -1.9234 -1.3637 -1.3499 -1.0012 -0.9818 -0.4397 -0.4171 0.7384 0.7475 0.9962 1.0031 2.0384 2.0501 2.3838 2.3883 2.5899 2.5955 2.6136 2.6274 2.8931 2.9192 3.4295 3.4473 7.3266 7.3294 7.8341 7.8407 8.0670 8.0712 8.1572 8.1737 k =-0.1995 0.2191 0.2963 ( 17523 PWs) bands (ev): -40.5764 -40.5764 -11.3759 -11.3757 -8.6273 -8.6262 -8.4672 -8.4659 -8.0951 -8.0928 -4.4273 -4.4270 -2.5312 -2.4830 -2.4004 -2.3401 -2.1843 -2.1140 -2.0692 -2.0391 -1.9652 -1.9246 -1.3656 -1.3496 -1.0165 -0.9966 -0.4398 -0.4175 0.7545 0.7635 0.9948 1.0021 2.0665 2.0763 2.3616 2.3676 2.5810 2.5988 2.6271 2.6517 2.8864 2.9140 3.3968 3.4160 7.3615 7.3637 7.7963 7.8035 8.0904 8.0940 8.1821 8.1978 k =-0.1904 0.2091 0.2828 ( 17511 PWs) bands (ev): -40.5764 -40.5764 -11.3829 -11.3828 -8.6178 -8.6168 -8.4644 -8.4632 -8.0830 -8.0808 -4.4499 -4.4492 -2.5267 -2.4837 -2.4000 -2.3405 -2.1801 -2.1205 -2.0704 -2.0416 -1.9660 -1.9257 -1.3665 -1.3484 -1.0316 -1.0113 -0.4393 -0.4174 0.7676 0.7765 0.9907 0.9982 2.0989 2.1069 2.3380 2.3462 2.5710 2.5898 2.6513 2.6758 2.8836 2.9128 3.3636 3.3845 7.3941 7.3958 7.7508 7.7581 8.1170 8.1189 8.2114 8.2257 k =-0.1813 0.1992 0.2694 ( 17513 PWs) bands (ev): -40.5764 -40.5764 -11.3901 -11.3899 -8.6076 -8.6066 -8.4616 -8.4605 -8.0714 -8.0692 -4.4730 -4.4720 -2.5222 -2.4835 -2.3995 -2.3407 -2.1762 -2.1272 -2.0703 -2.0440 -1.9668 -1.9267 -1.3662 -1.3462 -1.0464 -1.0258 -0.4381 -0.4167 0.7780 0.7869 0.9833 0.9907 2.1343 2.1408 2.3154 2.3263 2.5602 2.5791 2.6742 2.6974 2.8848 2.9159 3.3309 3.3539 7.4236 7.4250 7.7019 7.7090 8.1409 8.1425 8.2448 8.2571 k =-0.1723 0.1892 0.2559 ( 17503 PWs) bands (ev): -40.5764 -40.5764 -11.3973 -11.3972 -8.5968 -8.5959 -8.4589 -8.4579 -8.0601 -8.0580 -4.4964 -4.4951 -2.5177 -2.4825 -2.3989 -2.3408 -2.1725 -2.1339 -2.0695 -2.0462 -1.9677 -1.9276 -1.3647 -1.3430 -1.0608 -1.0402 -0.4364 -0.4155 0.7858 0.7948 0.9724 0.9797 2.1682 2.1746 2.2979 2.3125 2.5490 2.5676 2.6935 2.7150 2.8899 2.9231 3.2997 3.3252 7.4492 7.4504 7.6521 7.6588 8.1596 8.1632 8.2816 8.2920 k =-0.1632 0.1793 0.2424 ( 17507 PWs) bands (ev): -40.5764 -40.5764 -11.4045 -11.4044 -8.5855 -8.5846 -8.4563 -8.4553 -8.0492 -8.0472 -4.5200 -4.5184 -2.5133 -2.4805 -2.3982 -2.3409 -2.1692 -2.1401 -2.0680 -2.0482 -1.9687 -1.9285 -1.3620 -1.3387 -1.0749 -1.0542 -0.4340 -0.4137 0.7913 0.8005 0.9582 0.9651 2.1901 2.1975 2.2970 2.3146 2.5377 2.5558 2.7078 2.7272 2.8989 2.9340 3.2712 3.2996 7.4695 7.4709 7.6034 7.6094 8.1739 8.1792 8.3206 8.3294 k =-0.1541 0.1693 0.2290 ( 17511 PWs) bands (ev): -40.5764 -40.5764 -11.4116 -11.4115 -8.5738 -8.5730 -8.4538 -8.4529 -8.0388 -8.0369 -4.5435 -4.5418 -2.5091 -2.4777 -2.3975 -2.3410 -2.1662 -2.1459 -2.0661 -2.0500 -1.9699 -1.9294 -1.3579 -1.3334 -1.0886 -1.0680 -0.4311 -0.4114 0.7947 0.8041 0.9410 0.9474 2.1913 2.1963 2.3253 2.3408 2.5269 2.5444 2.7161 2.7329 2.9111 2.9478 3.2468 3.2783 7.4813 7.4844 7.5585 7.5634 8.1839 8.1904 8.3609 8.3683 k =-0.1451 0.1593 0.2155 ( 17513 PWs) bands (ev): -40.5764 -40.5764 -11.4187 -11.4186 -8.5618 -8.5610 -8.4514 -8.4505 -8.0288 -8.0270 -4.5669 -4.5649 -2.5051 -2.4743 -2.3967 -2.3411 -2.1638 -2.1508 -2.0638 -2.0515 -1.9711 -1.9303 -1.3525 -1.3271 -1.1018 -1.0815 -0.4276 -0.4087 0.7957 0.8055 0.9216 0.9273 2.1784 2.1813 2.3712 2.3838 2.5176 2.5343 2.7180 2.7318 2.9255 2.9632 3.2278 3.2623 7.4747 7.4818 7.5261 7.5311 8.1901 8.1973 8.4017 8.4079 k =-0.1360 0.1494 0.2020 ( 17509 PWs) bands (ev): -40.5764 -40.5764 -11.4256 -11.4255 -8.5497 -8.5489 -8.4491 -8.4482 -8.0193 -8.0176 -4.5898 -4.5878 -2.5012 -2.4704 -2.3958 -2.3414 -2.1623 -2.1544 -2.0613 -2.0526 -1.9726 -1.9313 -1.3459 -1.3199 -1.1145 -1.0946 -0.4236 -0.4055 0.7943 0.8045 0.9008 0.9056 2.1599 2.1630 2.4210 2.4320 2.5127 2.5279 2.7135 2.7241 2.9411 2.9791 3.2154 3.2523 7.4429 7.4507 7.5166 7.5212 8.1926 8.2003 8.4425 8.4477 k =-0.1269 0.1394 0.1886 ( 17491 PWs) bands (ev): -40.5764 -40.5764 -11.4323 -11.4323 -8.5375 -8.5368 -8.4469 -8.4461 -8.0104 -8.0088 -4.6122 -4.6102 -2.4974 -2.4664 -2.3949 -2.3418 -2.1629 -2.1557 -2.0586 -2.0534 -1.9741 -1.9325 -1.3381 -1.3118 -1.1266 -1.1073 -0.4192 -0.4019 0.7898 0.8007 0.8798 0.8836 2.1403 2.1443 2.4586 2.4698 2.5250 2.5354 2.7032 2.7104 2.9570 2.9942 3.2101 3.2481 7.4032 7.4102 7.5119 7.5157 8.1918 8.1998 8.4830 8.4873 k =-0.1179 0.1295 0.1751 ( 17501 PWs) bands (ev): -40.5764 -40.5764 -11.4388 -11.4387 -8.5254 -8.5248 -8.4448 -8.4441 -8.0019 -8.0004 -4.6340 -4.6319 -2.4937 -2.4623 -2.3938 -2.3424 -2.1651 -2.1551 -2.0557 -2.0537 -1.9758 -1.9339 -1.3292 -1.3029 -1.1381 -1.1196 -0.4144 -0.3981 0.7815 0.7931 0.8602 0.8629 2.1216 2.1264 2.4673 2.4794 2.5687 2.5721 2.6888 2.6922 2.9726 3.0079 3.2115 3.2494 7.3636 7.3700 7.5031 7.5063 8.1881 8.1963 8.5231 8.5265 k =-0.1088 0.1195 0.1616 ( 17505 PWs) bands (ev): -40.5764 -40.5764 -11.4450 -11.4449 -8.5136 -8.5130 -8.4428 -8.4422 -7.9940 -7.9926 -4.6548 -4.6527 -2.4899 -2.4585 -2.3926 -2.3431 -2.1672 -2.1542 -2.0537 -2.0526 -1.9776 -1.9354 -1.3193 -1.2935 -1.1489 -1.1313 -0.4094 -0.3941 0.7686 0.7803 0.8434 0.8456 2.1043 2.1097 2.4639 2.4760 2.6160 2.6230 2.6715 2.6785 2.9875 3.0201 3.2188 3.2552 7.3261 7.3319 7.4890 7.4918 8.1819 8.1902 8.5624 8.5651 k =-0.0997 0.1096 0.1481 ( 17505 PWs) bands (ev): -40.5764 -40.5764 -11.4508 -11.4508 -8.5021 -8.5015 -8.4410 -8.4404 -7.9867 -7.9854 -4.6746 -4.6726 -2.4861 -2.4550 -2.3912 -2.3442 -2.1689 -2.1534 -2.0533 -2.0494 -1.9793 -1.9373 -1.3087 -1.2837 -1.1589 -1.1425 -0.4043 -0.3900 0.7511 0.7623 0.8302 0.8324 2.0888 2.0945 2.4585 2.4699 2.6244 2.6380 2.6897 2.7033 3.0018 3.0310 3.2305 3.2643 7.2912 7.2964 7.4700 7.4725 8.1736 8.1820 8.6008 8.6028 k =-0.0907 0.0996 0.1347 ( 17497 PWs) bands (ev): -40.5764 -40.5764 -11.4563 -11.4563 -8.4911 -8.4906 -8.4393 -8.4388 -7.9800 -7.9788 -4.6932 -4.6913 -2.4823 -2.4519 -2.3896 -2.3454 -2.1700 -2.1528 -2.0525 -2.0462 -1.9811 -1.9393 -1.2976 -1.2738 -1.1682 -1.1530 -0.3991 -0.3859 0.7304 0.7406 0.8200 0.8225 2.0752 2.0811 2.4531 2.4637 2.6044 2.6133 2.7452 2.7543 3.0152 3.0407 3.2449 3.2756 7.2591 7.2638 7.4469 7.4491 8.1638 8.1721 8.6380 8.6395 k =-0.0816 0.0896 0.1212 ( 17523 PWs) bands (ev): -40.5764 -40.5764 -11.4614 -11.4614 -8.4807 -8.4803 -8.4378 -8.4373 -7.9739 -7.9728 -4.7106 -4.7088 -2.4785 -2.4494 -2.3879 -2.3469 -2.1706 -2.1526 -2.0514 -2.0429 -1.9828 -1.9417 -1.2862 -1.2638 -1.1766 -1.1629 -0.3939 -0.3819 0.7082 0.7173 0.8118 0.8143 2.0636 2.0695 2.4482 2.4580 2.5793 2.5863 2.8005 2.8076 3.0278 3.0497 3.2607 3.2880 7.2301 7.2343 7.4208 7.4227 8.1529 8.1610 8.6734 8.6745 k =-0.0725 0.0797 0.1077 ( 17519 PWs) bands (ev): -40.5764 -40.5764 -11.4661 -11.4660 -8.4711 -8.4707 -8.4364 -8.4360 -7.9684 -7.9674 -4.7264 -4.7248 -2.4748 -2.4475 -2.3860 -2.3486 -2.1706 -2.1526 -2.0500 -2.0397 -1.9843 -1.9443 -1.2748 -1.2542 -1.1840 -1.1720 -0.3889 -0.3781 0.6860 0.6939 0.8046 0.8073 2.0538 2.0596 2.4440 2.4529 2.5535 2.5594 2.8528 2.8588 3.0398 3.0580 3.2769 3.3008 7.2042 7.2079 7.3929 7.3946 8.1415 8.1492 8.7068 8.7076 k =-0.0635 0.0697 0.0943 ( 17521 PWs) bands (ev): -40.5764 -40.5764 -11.4702 -11.4702 -8.4623 -8.4620 -8.4351 -8.4348 -7.9635 -7.9626 -4.7407 -4.7393 -2.4711 -2.4461 -2.3839 -2.3505 -2.1702 -2.1529 -2.0483 -2.0368 -1.9854 -1.9473 -1.2636 -1.2452 -1.1905 -1.1803 -0.3842 -0.3746 0.6646 0.6716 0.7983 0.8009 2.0459 2.0513 2.4405 2.4484 2.5287 2.5337 2.9010 2.9061 3.0510 3.0658 3.2927 3.3131 7.1814 7.1847 7.3647 7.3660 8.1301 8.1372 8.7376 8.7382 k =-0.0544 0.0598 0.0808 ( 17527 PWs) bands (ev): -40.5764 -40.5764 -11.4739 -11.4739 -8.4545 -8.4542 -8.4340 -8.4337 -7.9592 -7.9585 -4.7534 -4.7521 -2.4676 -2.4453 -2.3818 -2.3525 -2.1694 -2.1535 -2.0464 -2.0342 -1.9859 -1.9505 -1.2531 -1.2370 -1.1958 -1.1878 -0.3797 -0.3715 0.6450 0.6509 0.7927 0.7951 2.0396 2.0446 2.4376 2.4446 2.5056 2.5099 2.9439 2.9484 3.0618 3.0732 3.3074 3.3246 7.1618 7.1646 7.3372 7.3383 8.1191 8.1255 8.7651 8.7658 k =-0.0453 0.0498 0.0673 ( 17535 PWs) bands (ev): -40.5764 -40.5764 -11.4771 -11.4771 -8.4477 -8.4475 -8.4330 -8.4327 -7.9555 -7.9549 -4.7642 -4.7631 -2.4642 -2.4451 -2.3794 -2.3547 -2.1683 -2.1543 -2.0444 -2.0323 -1.9858 -1.9539 -1.2435 -1.2300 -1.1999 -1.1944 -0.3757 -0.3688 0.6275 0.6325 0.7878 0.7899 2.0348 2.0392 2.4352 2.4413 2.4851 2.4888 2.9806 2.9847 3.0722 3.0804 3.3206 3.3347 7.1453 7.1476 7.3117 7.3126 8.1090 8.1146 8.7889 8.7897 k =-0.0363 0.0398 0.0539 ( 17523 PWs) bands (ev): -40.5764 -40.5764 -11.4797 -11.4797 -8.4422 -8.4420 -8.4320 -8.4319 -7.9526 -7.9521 -4.7732 -4.7723 -2.4610 -2.4453 -2.3771 -2.3571 -2.1670 -2.1553 -2.0423 -2.0312 -1.9848 -1.9576 -1.2352 -1.2244 -1.2028 -1.1999 -0.3722 -0.3666 0.6127 0.6167 0.7837 0.7854 2.0313 2.0351 2.4332 2.4384 2.4678 2.4709 3.0099 3.0140 3.0827 3.0877 3.3320 3.3431 7.1319 7.1337 7.2893 7.2900 8.1003 8.1049 8.8082 8.8091 k =-0.0272 0.0299 0.0404 ( 17523 PWs) bands (ev): -40.5764 -40.5764 -11.4817 -11.4817 -8.4380 -8.4379 -8.4311 -8.4310 -7.9502 -7.9498 -4.7802 -4.7795 -2.4579 -2.4460 -2.3746 -2.3595 -2.1655 -2.1564 -2.0401 -2.0308 -1.9830 -1.9615 -1.2286 -1.2204 -1.2046 -1.2038 -0.3693 -0.3650 0.6010 0.6040 0.7804 0.7818 2.0289 2.0319 2.4314 2.4356 2.4544 2.4570 3.0313 3.0352 3.0930 3.0954 3.3414 3.3496 7.1216 7.1229 7.2709 7.2714 8.0933 8.0968 8.8220 8.8232 k =-0.0181 0.0199 0.0269 ( 17525 PWs) bands (ev): -40.5764 -40.5764 -11.4832 -11.4832 -8.4352 -8.4352 -8.4301 -8.4301 -7.9485 -7.9483 -4.7852 -4.7848 -2.4552 -2.4471 -2.3721 -2.3620 -2.1639 -2.1578 -2.0379 -2.0313 -1.9803 -1.9654 -1.2240 -1.2181 -1.2068 -1.2048 -0.3669 -0.3641 0.5925 0.5945 0.7781 0.7790 2.0276 2.0296 2.4293 2.4325 2.4456 2.4477 3.0453 3.0486 3.1022 3.1030 3.3486 3.3540 7.1143 7.1152 7.2572 7.2575 8.0883 8.0906 8.8297 8.8312 k =-0.0091 0.0100 0.0135 ( 17539 PWs) bands (ev): -40.5764 -40.5764 -11.4841 -11.4841 -8.4339 -8.4338 -8.4293 -8.4293 -7.9475 -7.9473 -4.7882 -4.7880 -2.4527 -2.4486 -2.3696 -2.3645 -2.1623 -2.1592 -2.0358 -2.0324 -1.9771 -1.9694 -1.2211 -1.2179 -1.2070 -1.2053 -0.3652 -0.3638 0.5876 0.5886 0.7768 0.7772 2.0271 2.0281 2.4275 2.4292 2.4416 2.4427 3.0533 3.0551 3.1086 3.1088 3.3535 3.3562 7.1100 7.1105 7.2488 7.2489 8.0854 8.0866 8.8327 8.8337 k = 0.0000 0.0000 0.0000 ( 17539 PWs) bands (ev): -40.5764 -40.5764 -11.4844 -11.4844 -8.4335 -8.4335 -8.4289 -8.4289 -7.9471 -7.9471 -4.7891 -4.7891 -2.4505 -2.4505 -2.3670 -2.3670 -2.1607 -2.1607 -2.0339 -2.0339 -1.9734 -1.9734 -1.2192 -1.2192 -1.2061 -1.2061 -0.3641 -0.3641 0.5862 0.5862 0.7765 0.7765 2.0272 2.0272 2.4272 2.4272 2.4409 2.4409 3.0564 3.0564 3.1110 3.1110 3.3561 3.3561 7.1087 7.1087 7.2460 7.2460 8.0848 8.0848 8.8337 8.8337 k = 0.0000 0.0000 0.0000 ( 17539 PWs) bands (ev): -40.5764 -40.5764 -11.4844 -11.4844 -8.4335 -8.4335 -8.4289 -8.4289 -7.9471 -7.9471 -4.7891 -4.7891 -2.4505 -2.4505 -2.3670 -2.3670 -2.1607 -2.1607 -2.0339 -2.0339 -1.9734 -1.9734 -1.2192 -1.2192 -1.2061 -1.2061 -0.3641 -0.3641 0.5862 0.5862 0.7765 0.7765 2.0272 2.0272 2.4272 2.4272 2.4409 2.4409 3.0564 3.0564 3.1110 3.1110 3.3561 3.3561 7.1087 7.1087 7.2460 7.2460 8.0848 8.0848 8.8337 8.8337 k = 0.0139 0.0126 0.0000 ( 17523 PWs) bands (ev): -40.5764 -40.5764 -11.4841 -11.4841 -8.4336 -8.4336 -8.4290 -8.4290 -7.9482 -7.9482 -4.7880 -4.7880 -2.4501 -2.4501 -2.3672 -2.3672 -2.1608 -2.1608 -2.0340 -2.0340 -1.9734 -1.9734 -1.2181 -1.2181 -1.2049 -1.2049 -0.3645 -0.3645 0.5671 0.5671 0.7969 0.7969 2.0264 2.0264 2.4278 2.4278 2.4415 2.4415 3.0555 3.0555 3.1100 3.1100 3.3533 3.3533 7.1067 7.1067 7.2526 7.2526 8.0851 8.0851 8.8322 8.8322 k = 0.0278 0.0253 0.0000 ( 17527 PWs) bands (ev): -40.5764 -40.5764 -11.4831 -11.4831 -8.4340 -8.4340 -8.4294 -8.4294 -7.9516 -7.9516 -4.7847 -4.7847 -2.4489 -2.4489 -2.3678 -2.3678 -2.1609 -2.1609 -2.0343 -2.0343 -1.9734 -1.9734 -1.2146 -1.2146 -1.2013 -1.2013 -0.3657 -0.3657 0.5239 0.5239 0.8440 0.8440 2.0237 2.0237 2.4295 2.4295 2.4432 2.4432 3.0527 3.0527 3.1070 3.1070 3.3452 3.3452 7.1021 7.1021 7.2709 7.2709 8.0857 8.0857 8.8278 8.8278 k = 0.0417 0.0379 0.0000 ( 17555 PWs) bands (ev): -40.5764 -40.5764 -11.4815 -11.4815 -8.4346 -8.4346 -8.4300 -8.4300 -7.9573 -7.9573 -4.7792 -4.7792 -2.4469 -2.4469 -2.3689 -2.3689 -2.1611 -2.1611 -2.0348 -2.0348 -1.9733 -1.9733 -1.2089 -1.2089 -1.1954 -1.1954 -0.3678 -0.3678 0.4726 0.4726 0.9017 0.9017 2.0195 2.0195 2.4323 2.4323 2.4461 2.4461 3.0480 3.0480 3.1021 3.1021 3.3318 3.3318 7.0977 7.0977 7.2977 7.2977 8.0871 8.0871 8.8203 8.8203 k = 0.0556 0.0506 0.0000 ( 17563 PWs) bands (ev): -40.5764 -40.5764 -11.4793 -11.4793 -8.4354 -8.4354 -8.4309 -8.4309 -7.9651 -7.9651 -4.7715 -4.7715 -2.4442 -2.4442 -2.3703 -2.3703 -2.1614 -2.1614 -2.0354 -2.0354 -1.9733 -1.9733 -1.2009 -1.2009 -1.1872 -1.1872 -0.3709 -0.3709 0.4195 0.4195 0.9640 0.9640 2.0138 2.0138 2.4360 2.4360 2.4499 2.4499 3.0418 3.0418 3.0955 3.0955 3.3132 3.3132 7.0953 7.0953 7.3302 7.3302 8.0895 8.0895 8.8099 8.8099 k = 0.0694 0.0632 0.0000 ( 17531 PWs) bands (ev): -40.5764 -40.5764 -11.4765 -11.4765 -8.4365 -8.4365 -8.4320 -8.4320 -7.9751 -7.9751 -4.7619 -4.7619 -2.4407 -2.4407 -2.3720 -2.3720 -2.1616 -2.1616 -2.0361 -2.0361 -1.9733 -1.9733 -1.1908 -1.1908 -1.1767 -1.1767 -0.3752 -0.3752 0.3670 0.3670 1.0282 1.0282 2.0070 2.0070 2.4405 2.4405 2.4546 2.4546 3.0340 3.0340 3.0872 3.0872 3.2899 3.2899 7.0959 7.0959 7.3664 7.3664 8.0935 8.0935 8.7963 8.7963 k = 0.0833 0.0759 0.0000 ( 17511 PWs) bands (ev): -40.5764 -40.5764 -11.4731 -11.4731 -8.4378 -8.4378 -8.4333 -8.4333 -7.9870 -7.9870 -4.7503 -4.7503 -2.4367 -2.4367 -2.3741 -2.3741 -2.1618 -2.1618 -2.0369 -2.0369 -1.9732 -1.9732 -1.1785 -1.1785 -1.1641 -1.1641 -0.3811 -0.3811 0.3164 0.3164 1.0932 1.0932 1.9992 1.9992 2.4455 2.4455 2.4599 2.4599 3.0250 3.0250 3.0777 3.0777 3.2620 3.2620 7.0996 7.0996 7.4047 7.4047 8.0996 8.0996 8.7796 8.7796 k = 0.0972 0.0885 0.0000 ( 17499 PWs) bands (ev): -40.5764 -40.5764 -11.4692 -11.4692 -8.4393 -8.4393 -8.4349 -8.4349 -8.0008 -8.0008 -4.7369 -4.7369 -2.4321 -2.4321 -2.3764 -2.3764 -2.1618 -2.1618 -2.0378 -2.0378 -1.9731 -1.9731 -1.1642 -1.1642 -1.1494 -1.1494 -0.3890 -0.3890 0.2686 0.2686 1.1581 1.1581 1.9911 1.9911 2.4508 2.4508 2.4656 2.4656 3.0151 3.0151 3.0671 3.0671 3.2300 3.2300 7.1061 7.1061 7.4437 7.4437 8.1087 8.1087 8.7596 8.7596 k = 0.1111 0.1011 0.0000 ( 17499 PWs) bands (ev): -40.5764 -40.5764 -11.4647 -11.4647 -8.4410 -8.4410 -8.4366 -8.4366 -8.0164 -8.0164 -4.7218 -4.7218 -2.4270 -2.4270 -2.3790 -2.3790 -2.1617 -2.1617 -2.0386 -2.0386 -1.9731 -1.9731 -1.1479 -1.1479 -1.1327 -1.1327 -0.3992 -0.3992 0.2243 0.2243 1.2221 1.2221 1.9832 1.9832 2.4561 2.4561 2.4714 2.4714 3.0047 3.0047 3.0560 3.0560 3.1944 3.1944 7.1145 7.1145 7.4825 7.4825 8.1215 8.1215 8.7363 8.7363 k = 0.1250 0.1138 0.0000 ( 17503 PWs) bands (ev): -40.5764 -40.5764 -11.4596 -11.4596 -8.4429 -8.4429 -8.4386 -8.4386 -8.0335 -8.0335 -4.7052 -4.7052 -2.4216 -2.4216 -2.3816 -2.3816 -2.1613 -2.1613 -2.0393 -2.0393 -1.9730 -1.9730 -1.1298 -1.1298 -1.1142 -1.1142 -0.4121 -0.4121 0.1840 0.1840 1.2842 1.2842 1.9761 1.9761 2.4608 2.4608 2.4768 2.4768 2.9941 2.9941 3.0447 3.0447 3.1557 3.1557 7.1237 7.1237 7.5205 7.5205 8.1387 8.1387 8.7095 8.7095 k = 0.1389 0.1264 0.0000 ( 17503 PWs) bands (ev): -40.5764 -40.5764 -11.4541 -11.4541 -8.4449 -8.4449 -8.4407 -8.4407 -8.0521 -8.0521 -4.6873 -4.6873 -2.4162 -2.4162 -2.3843 -2.3843 -2.1606 -2.1606 -2.0399 -2.0399 -1.9728 -1.9728 -1.1100 -1.1100 -1.0940 -1.0940 -0.4281 -0.4281 0.1484 0.1484 1.3436 1.3436 1.9710 1.9710 2.4644 2.4644 2.4813 2.4813 2.9838 2.9838 3.0338 3.0338 3.1145 3.1145 7.1322 7.1322 7.5575 7.5575 8.1607 8.1607 8.6794 8.6794 k = 0.1528 0.1391 0.0000 ( 17527 PWs) bands (ev): -40.5764 -40.5764 -11.4481 -11.4481 -8.4472 -8.4472 -8.4430 -8.4430 -8.0720 -8.0720 -4.6682 -4.6682 -2.4110 -2.4110 -2.3866 -2.3866 -2.1595 -2.1595 -2.0403 -2.0403 -1.9727 -1.9727 -1.0885 -1.0885 -1.0722 -1.0722 -0.4477 -0.4477 0.1177 0.1177 1.3988 1.3988 1.9689 1.9689 2.4664 2.4664 2.4844 2.4844 2.9738 2.9738 3.0240 3.0240 3.0719 3.0719 7.1384 7.1384 7.5940 7.5940 8.1874 8.1874 8.6458 8.6458 k = 0.1667 0.1517 0.0000 ( 17503 PWs) bands (ev): -40.5764 -40.5764 -11.4417 -11.4417 -8.4495 -8.4495 -8.4454 -8.4454 -8.0930 -8.0930 -4.6480 -4.6480 -2.4068 -2.4068 -2.3880 -2.3880 -2.1579 -2.1579 -2.0403 -2.0403 -1.9725 -1.9725 -1.0656 -1.0656 -1.0489 -1.0489 -0.4708 -0.4708 0.0922 0.0922 1.4483 1.4483 1.9714 1.9714 2.4662 2.4662 2.4856 2.4856 2.9632 2.9632 3.0159 3.0159 3.0303 3.0303 7.1405 7.1405 7.6311 7.6311 8.2183 8.2183 8.6088 8.6088 k = 0.1806 0.1644 0.0000 ( 17467 PWs) bands (ev): -40.5764 -40.5764 -11.4349 -11.4349 -8.4520 -8.4520 -8.4479 -8.4479 -8.1149 -8.1149 -4.6270 -4.6270 -2.4049 -2.4049 -2.3873 -2.3873 -2.1557 -2.1557 -2.0400 -2.0400 -1.9723 -1.9723 -1.0413 -1.0413 -1.0243 -1.0243 -0.4974 -0.4974 0.0718 0.0718 1.4905 1.4905 1.9799 1.9799 2.4632 2.4632 2.4841 2.4841 2.9459 2.9459 2.9963 2.9963 3.0108 3.0108 7.1373 7.1373 7.6698 7.6698 8.2520 8.2520 8.5686 8.5686 k = 0.1944 0.1770 0.0000 ( 17483 PWs) bands (ev): -40.5764 -40.5764 -11.4277 -11.4277 -8.4545 -8.4545 -8.4505 -8.4505 -8.1376 -8.1376 -4.6054 -4.6054 -2.4057 -2.4057 -2.3842 -2.3842 -2.1531 -2.1531 -2.0391 -2.0391 -1.9720 -1.9720 -1.0159 -1.0159 -0.9985 -0.9985 -0.5272 -0.5272 0.0563 0.0563 1.5240 1.5240 1.9958 1.9958 2.4569 2.4569 2.4796 2.4796 2.9121 2.9121 2.9818 2.9818 3.0081 3.0081 7.1279 7.1279 7.7112 7.7112 8.2871 8.2871 8.5252 8.5252 k = 0.2083 0.1897 0.0000 ( 17479 PWs) bands (ev): -40.5764 -40.5764 -11.4203 -11.4203 -8.4572 -8.4572 -8.4533 -8.4533 -8.1609 -8.1609 -4.5833 -4.5833 -2.4080 -2.4080 -2.3799 -2.3799 -2.1499 -2.1499 -2.0376 -2.0376 -1.9716 -1.9716 -0.9894 -0.9894 -0.9718 -0.9718 -0.5599 -0.5599 0.0452 0.0452 1.5479 1.5479 2.0193 2.0193 2.4470 2.4470 2.4716 2.4716 2.8689 2.8689 2.9802 2.9802 3.0091 3.0091 7.1120 7.1120 7.7559 7.7559 8.3219 8.3219 8.4788 8.4788 k = 0.2222 0.2023 0.0000 ( 17491 PWs) bands (ev): -40.5764 -40.5764 -11.4126 -11.4126 -8.4599 -8.4599 -8.4560 -8.4560 -8.1845 -8.1845 -4.5609 -4.5609 -2.4110 -2.4110 -2.3754 -2.3754 -2.1462 -2.1462 -2.0353 -2.0353 -1.9710 -1.9710 -0.9620 -0.9620 -0.9442 -0.9442 -0.5948 -0.5948 0.0380 0.0380 1.5628 1.5628 2.0496 2.0496 2.4335 2.4335 2.4600 2.4600 2.8241 2.8241 2.9850 2.9850 3.0138 3.0138 7.0900 7.0900 7.8037 7.8037 8.3546 8.3546 8.4299 8.4299 k = 0.2361 0.2149 0.0000 ( 17499 PWs) bands (ev): -40.5764 -40.5764 -11.4048 -11.4048 -8.4626 -8.4626 -8.4589 -8.4589 -8.2084 -8.2084 -4.5384 -4.5384 -2.4143 -2.4143 -2.3710 -2.3710 -2.1423 -2.1423 -2.0321 -2.0321 -1.9701 -1.9701 -0.9339 -0.9339 -0.9159 -0.9159 -0.6315 -0.6315 0.0341 0.0341 1.5699 1.5699 2.0848 2.0848 2.4166 2.4166 2.4448 2.4448 2.7803 2.7803 2.9943 2.9943 3.0222 3.0222 7.0627 7.0627 7.8542 7.8542 8.3765 8.3765 8.3853 8.3853 k = 0.2500 0.2276 0.0000 ( 17495 PWs) bands (ev): -40.5764 -40.5764 -11.3968 -11.3968 -8.4653 -8.4653 -8.4617 -8.4617 -8.2322 -8.2322 -4.5159 -4.5159 -2.4176 -2.4176 -2.3671 -2.3671 -2.1382 -2.1382 -2.0281 -2.0281 -1.9688 -1.9688 -0.9054 -0.9054 -0.8872 -0.8872 -0.6694 -0.6694 0.0331 0.0331 1.5710 1.5710 2.1219 2.1219 2.3965 2.3965 2.4262 2.4262 2.7396 2.7396 3.0073 3.0073 3.0342 3.0342 7.0310 7.0310 7.9064 7.9064 8.3248 8.3248 8.3395 8.3395 k = 0.2639 0.2402 0.0000 ( 17491 PWs) bands (ev): -40.5764 -40.5764 -11.3887 -11.3887 -8.4681 -8.4681 -8.4645 -8.4645 -8.2560 -8.2560 -4.4937 -4.4937 -2.4210 -2.4210 -2.3636 -2.3636 -2.1341 -2.1341 -2.0231 -2.0231 -1.9668 -1.9668 -0.8765 -0.8765 -0.8583 -0.8583 -0.7080 -0.7080 0.0343 0.0343 1.5677 1.5677 2.1576 2.1576 2.3739 2.3739 2.4048 2.4048 2.7039 2.7039 3.0234 3.0234 3.0493 3.0493 6.9959 6.9959 7.9590 7.9590 8.2701 8.2701 8.2837 8.2837 k = 0.2778 0.2529 0.0000 ( 17491 PWs) bands (ev): -40.5764 -40.5764 -11.3806 -11.3806 -8.4708 -8.4708 -8.4673 -8.4673 -8.2794 -8.2794 -4.4719 -4.4719 -2.4243 -2.4243 -2.3607 -2.3607 -2.1303 -2.1303 -2.0176 -2.0176 -1.9638 -1.9638 -0.8476 -0.8476 -0.8297 -0.8297 -0.7464 -0.7464 0.0375 0.0375 1.5615 1.5615 2.1883 2.1883 2.3492 2.3492 2.3810 2.3810 2.6758 2.6758 3.0420 3.0420 3.0671 3.0671 6.9585 6.9585 8.0101 8.0101 8.2144 8.2144 8.2269 8.2269 k = 0.2917 0.2655 0.0000 ( 17507 PWs) bands (ev): -40.5764 -40.5764 -11.3726 -11.3726 -8.4735 -8.4735 -8.4701 -8.4701 -8.3024 -8.3024 -4.4505 -4.4505 -2.4276 -2.4276 -2.3583 -2.3583 -2.1268 -2.1268 -2.0120 -2.0120 -1.9593 -1.9593 -0.8196 -0.8196 -0.8049 -0.8049 -0.7802 -0.7801 0.0421 0.0421 1.5535 1.5535 2.2102 2.2102 2.3232 2.3232 2.3553 2.3553 2.6581 2.6581 3.0627 3.0627 3.0870 3.0870 6.9196 6.9196 8.0575 8.0575 8.1583 8.1583 8.1699 8.1699 k = 0.3056 0.2782 0.0000 ( 17507 PWs) bands (ev): -40.5764 -40.5764 -11.3646 -11.3646 -8.4761 -8.4761 -8.4728 -8.4728 -8.3247 -8.3247 -4.4299 -4.4299 -2.4307 -2.4307 -2.3564 -2.3564 -2.1238 -2.1238 -2.0068 -2.0068 -1.9526 -1.9526 -0.8297 -0.8297 -0.7884 -0.7884 -0.7679 -0.7679 0.0479 0.0479 1.5445 1.5445 2.2201 2.2201 2.2964 2.2964 2.3284 2.3284 2.6532 2.6532 3.0848 3.0848 3.1086 3.1086 6.8800 6.8800 8.0915 8.0915 8.1069 8.1069 8.1157 8.1157 k = 0.3194 0.2908 0.0000 ( 17499 PWs) bands (ev): -40.5764 -40.5764 -11.3569 -11.3569 -8.4786 -8.4786 -8.4754 -8.4754 -8.3462 -8.3462 -4.4101 -4.4101 -2.4337 -2.4337 -2.3549 -2.3549 -2.1212 -2.1212 -2.0026 -2.0026 -1.9434 -1.9434 -0.8665 -0.8665 -0.7607 -0.7607 -0.7406 -0.7406 0.0545 0.0545 1.5350 1.5350 2.2170 2.2170 2.2695 2.2695 2.3008 2.3008 2.6615 2.6615 3.1079 3.1079 3.1313 3.1313 6.8407 6.8407 8.0447 8.0447 8.0557 8.0557 8.1348 8.1348 k = 0.3333 0.3034 0.0000 ( 17499 PWs) bands (ev): -40.5764 -40.5764 -11.3494 -11.3494 -8.4810 -8.4810 -8.4778 -8.4778 -8.3668 -8.3668 -4.3912 -4.3912 -2.4365 -2.4365 -2.3538 -2.3538 -2.1190 -2.1190 -1.9996 -1.9996 -1.9317 -1.9317 -0.9038 -0.9038 -0.7332 -0.7332 -0.7133 -0.7133 0.0618 0.0618 1.5255 1.5255 2.2029 2.2029 2.2428 2.2428 2.2730 2.2730 2.6810 2.6810 3.1316 3.1316 3.1545 3.1545 6.8020 6.8020 7.9905 7.9905 8.0007 8.0007 8.1568 8.1568 k = 0.3472 0.3161 0.0000 ( 17479 PWs) bands (ev): -40.5764 -40.5764 -11.3421 -11.3421 -8.4833 -8.4833 -8.4802 -8.4802 -8.3863 -8.3863 -4.3734 -4.3734 -2.4391 -2.4391 -2.3530 -2.3530 -2.1172 -2.1172 -1.9976 -1.9976 -1.9179 -1.9179 -0.9402 -0.9402 -0.7067 -0.7067 -0.6867 -0.6867 0.0693 0.0693 1.5164 1.5164 2.1816 2.1816 2.2161 2.2161 2.2454 2.2454 2.7082 2.7082 3.1553 3.1553 3.1780 3.1780 6.7648 6.7648 7.9378 7.9378 7.9475 7.9475 8.1684 8.1684 k = 0.3611 0.3287 0.0000 ( 17487 PWs) bands (ev): -40.5764 -40.5764 -11.3353 -11.3353 -8.4854 -8.4854 -8.4824 -8.4824 -8.4046 -8.4046 -4.3568 -4.3568 -2.4416 -2.4416 -2.3525 -2.3525 -2.1158 -2.1158 -1.9964 -1.9964 -1.9025 -1.9025 -0.9755 -0.9755 -0.6813 -0.6813 -0.6612 -0.6612 0.0770 0.0770 1.5078 1.5078 2.1565 2.1565 2.1894 2.1894 2.2184 2.2184 2.7397 2.7397 3.1786 3.1786 3.2011 3.2011 6.7293 6.7293 7.8872 7.8872 7.8965 7.8965 8.1705 8.1705 k = 0.3750 0.3414 0.0000 ( 17499 PWs) bands (ev): -40.5764 -40.5764 -11.3289 -11.3289 -8.4874 -8.4874 -8.4845 -8.4845 -8.4216 -8.4216 -4.3415 -4.3415 -2.4438 -2.4438 -2.3522 -2.3522 -2.1146 -2.1146 -1.9957 -1.9957 -1.8862 -1.8862 -1.0093 -1.0093 -0.6574 -0.6574 -0.6372 -0.6372 0.0846 0.0846 1.5000 1.5000 2.1301 2.1301 2.1632 2.1632 2.1926 2.1926 2.7729 2.7729 3.2012 3.2012 3.2235 3.2235 6.6962 6.6962 7.8395 7.8395 7.8484 7.8484 8.1655 8.1655 k = 0.3889 0.3540 0.0000 ( 17475 PWs) bands (ev): -40.5764 -40.5764 -11.3230 -11.3230 -8.4893 -8.4893 -8.4864 -8.4864 -8.4371 -8.4371 -4.3275 -4.3275 -2.4459 -2.4459 -2.3520 -2.3520 -2.1137 -2.1137 -1.9953 -1.9953 -1.8694 -1.8694 -1.0413 -1.0413 -0.6352 -0.6352 -0.6148 -0.6148 0.0919 0.0919 1.4930 1.4930 2.1039 2.1039 2.1383 2.1383 2.1684 2.1684 2.8058 2.8058 3.2225 3.2225 3.2448 3.2448 6.6657 6.6657 7.7952 7.7952 7.8038 7.8038 8.1558 8.1558 k = 0.4028 0.3667 0.0000 ( 17476 PWs) bands (ev): -40.5764 -40.5764 -11.3176 -11.3176 -8.4909 -8.4909 -8.4881 -8.4881 -8.4510 -8.4510 -4.3150 -4.3150 -2.4477 -2.4477 -2.3519 -2.3519 -2.1129 -2.1129 -1.9952 -1.9952 -1.8527 -1.8527 -1.0712 -1.0712 -0.6149 -0.6149 -0.5944 -0.5944 0.0988 0.0988 1.4869 1.4869 2.0788 2.0788 2.1152 2.1152 2.1460 2.1460 2.8371 2.8371 3.2424 3.2424 3.2645 3.2645 6.6381 6.6381 7.7548 7.7548 7.7630 7.7630 8.1435 8.1435 k = 0.4167 0.3793 0.0000 ( 17468 PWs) bands (ev): -40.5764 -40.5764 -11.3128 -11.3128 -8.4924 -8.4924 -8.4896 -8.4896 -8.4632 -8.4632 -4.3040 -4.3040 -2.4493 -2.4493 -2.3520 -2.3520 -2.1123 -2.1123 -1.9952 -1.9952 -1.8365 -1.8365 -1.0985 -1.0985 -0.5967 -0.5967 -0.5761 -0.5761 0.1051 0.1051 1.4817 1.4817 2.0556 2.0556 2.0944 2.0944 2.1259 2.1259 2.8658 2.8658 3.2604 3.2604 3.2825 3.2825 6.6137 6.6137 7.7186 7.7186 7.7267 7.7267 8.1302 8.1302 k = 0.4306 0.3920 0.0000 ( 17480 PWs) bands (ev): -40.5764 -40.5764 -11.3087 -11.3087 -8.4937 -8.4937 -8.4909 -8.4909 -8.4737 -8.4737 -4.2946 -4.2946 -2.4506 -2.4506 -2.3520 -2.3520 -2.1118 -2.1118 -1.9953 -1.9953 -1.8214 -1.8214 -1.1229 -1.1229 -0.5809 -0.5809 -0.5602 -0.5602 0.1107 0.1107 1.4774 1.4774 2.0349 2.0349 2.0762 2.0762 2.1083 2.1083 2.8911 2.8911 3.2762 3.2762 3.2982 3.2982 6.5928 6.5928 7.6873 7.6873 7.6952 7.6952 8.1171 8.1171 k = 0.4444 0.4046 0.0000 ( 17484 PWs) bands (ev): -40.5764 -40.5764 -11.3052 -11.3052 -8.4949 -8.4949 -8.4920 -8.4920 -8.4823 -8.4823 -4.2868 -4.2868 -2.4517 -2.4517 -2.3521 -2.3521 -2.1114 -2.1114 -1.9954 -1.9954 -1.8079 -1.8079 -1.1438 -1.1438 -0.5677 -0.5677 -0.5469 -0.5469 0.1154 0.1154 1.4740 1.4740 2.0174 2.0174 2.0610 2.0610 2.0935 2.0935 2.9125 2.9125 3.2895 3.2895 3.3115 3.3115 6.5754 6.5754 7.6611 7.6611 7.6688 7.6688 8.1053 8.1053 k = 0.4583 0.4172 0.0000 ( 17464 PWs) bands (ev): -40.5764 -40.5764 -11.3025 -11.3025 -8.4960 -8.4960 -8.4928 -8.4928 -8.4888 -8.4888 -4.2807 -4.2807 -2.4526 -2.4526 -2.3522 -2.3522 -2.1111 -2.1111 -1.9956 -1.9956 -1.7966 -1.7966 -1.1609 -1.1609 -0.5572 -0.5572 -0.5363 -0.5363 0.1193 0.1193 1.4714 1.4714 2.0033 2.0033 2.0489 2.0489 2.0818 2.0818 2.9296 2.9296 3.3001 3.3001 3.3221 3.3221 6.5618 6.5618 7.6404 7.6404 7.6480 7.6480 8.0953 8.0953 k = 0.4722 0.4299 0.0000 ( 17496 PWs) bands (ev): -40.5764 -40.5764 -11.3006 -11.3006 -8.4974 -8.4974 -8.4934 -8.4934 -8.4930 -8.4930 -4.2763 -4.2763 -2.4532 -2.4532 -2.3523 -2.3523 -2.1109 -2.1109 -1.9957 -1.9957 -1.7881 -1.7881 -1.1735 -1.1735 -0.5496 -0.5496 -0.5287 -0.5287 0.1220 0.1220 1.4696 1.4696 1.9930 1.9930 2.0402 2.0402 2.0733 2.0733 2.9420 2.9420 3.3078 3.3078 3.3298 3.3298 6.5520 6.5520 7.6254 7.6254 7.6329 7.6329 8.0879 8.0879 k = 0.4861 0.4425 0.0000 ( 17520 PWs) bands (ev): -40.5764 -40.5764 -11.2994 -11.2994 -8.4991 -8.4991 -8.4947 -8.4947 -8.4938 -8.4938 -4.2737 -4.2737 -2.4536 -2.4536 -2.3523 -2.3523 -2.1107 -2.1107 -1.9958 -1.9958 -1.7828 -1.7828 -1.1813 -1.1813 -0.5451 -0.5451 -0.5241 -0.5241 0.1237 0.1237 1.4686 1.4686 1.9867 1.9867 2.0349 2.0349 2.0682 2.0682 2.9495 2.9495 3.3125 3.3125 3.3345 3.3345 6.5461 6.5461 7.6163 7.6163 7.6238 7.6238 8.0832 8.0832 k = 0.5000 0.4552 0.0000 ( 17520 PWs) bands (ev): -40.5764 -40.5764 -11.2990 -11.2990 -8.4998 -8.4998 -8.4951 -8.4951 -8.4939 -8.4939 -4.2728 -4.2728 -2.4537 -2.4537 -2.3523 -2.3523 -2.1107 -2.1107 -1.9958 -1.9958 -1.7809 -1.7809 -1.1839 -1.1839 -0.5435 -0.5435 -0.5225 -0.5225 0.1243 0.1243 1.4682 1.4682 1.9846 1.9846 2.0331 2.0331 2.0664 2.0664 2.9520 2.9520 3.3141 3.3141 3.3361 3.3361 6.5441 6.5441 7.6133 7.6133 7.6207 7.6207 8.0817 8.0817 k = 0.5000 0.4552 0.0000 ( 17520 PWs) bands (ev): -40.5764 -40.5764 -11.2990 -11.2990 -8.4998 -8.4998 -8.4951 -8.4951 -8.4939 -8.4939 -4.2728 -4.2728 -2.4537 -2.4537 -2.3523 -2.3523 -2.1107 -2.1107 -1.9958 -1.9958 -1.7809 -1.7809 -1.1839 -1.1839 -0.5435 -0.5435 -0.5225 -0.5225 0.1243 0.1243 1.4682 1.4682 1.9846 1.9846 2.0331 2.0331 2.0664 2.0664 2.9520 2.9520 3.3141 3.3141 3.3361 3.3361 6.5441 6.5441 7.6133 7.6133 7.6207 7.6207 8.0817 8.0817 k = 0.4914 0.4646 0.0128 ( 17484 PWs) bands (ev): -40.5764 -40.5764 -11.2990 -11.2990 -8.5070 -8.5037 -8.4959 -8.4949 -8.4891 -8.4868 -4.2728 -4.2721 -2.4561 -2.4516 -2.3568 -2.3476 -2.1139 -2.1078 -1.9990 -1.9925 -1.7837 -1.7782 -1.1854 -1.1844 -0.5438 -0.5432 -0.5232 -0.5216 0.1241 0.1244 1.4685 1.4700 1.9493 1.9541 2.0443 2.0463 2.0846 2.0908 2.9507 2.9520 3.3135 3.3148 3.3361 3.3364 6.5445 6.5450 7.6129 7.6136 7.6205 7.6210 8.0857 8.0866 k = 0.4828 0.4741 0.0256 ( 17480 PWs) bands (ev): -40.5764 -40.5764 -11.2989 -11.2989 -8.5150 -8.5118 -8.4960 -8.4954 -8.4811 -8.4783 -4.2722 -4.2708 -2.4590 -2.4499 -2.3610 -2.3426 -2.1174 -2.1051 -2.0021 -1.9893 -1.7866 -1.7756 -1.1891 -1.1869 -0.5442 -0.5436 -0.5234 -0.5196 0.1238 0.1244 1.4708 1.4737 1.8973 1.9034 2.0484 2.0512 2.1331 2.1393 2.9479 2.9506 3.3124 3.3145 3.3369 3.3380 6.5461 6.5472 7.6120 7.6133 7.6208 7.6219 8.0985 8.1002 k = 0.4742 0.4836 0.0384 ( 17478 PWs) bands (ev): -40.5764 -40.5764 -11.2988 -11.2988 -8.5230 -8.5198 -8.4967 -8.4960 -8.4725 -8.4696 -4.2709 -4.2689 -2.4622 -2.4485 -2.3648 -2.3376 -2.1212 -2.1028 -2.0051 -1.9861 -1.7895 -1.7731 -1.1946 -1.1913 -0.5460 -0.5456 -0.5221 -0.5156 0.1234 0.1243 1.4749 1.4794 1.8435 1.8506 2.0502 2.0545 2.1868 2.1926 2.9439 2.9478 3.3094 3.3117 3.3399 3.3425 6.5491 6.5507 7.6101 7.6119 7.6226 7.6243 8.1194 8.1218 k = 0.4656 0.4930 0.0512 ( 17476 PWs) bands (ev): -40.5764 -40.5764 -11.2987 -11.2986 -8.5310 -8.5279 -8.4976 -8.4967 -8.4636 -8.4606 -4.2691 -4.2664 -2.4658 -2.4473 -2.3682 -2.3324 -2.1252 -2.1008 -2.0079 -1.9831 -1.7926 -1.7709 -1.2019 -1.1972 -0.5506 -0.5495 -0.5184 -0.5093 0.1231 0.1243 1.4807 1.4871 1.7898 1.7981 2.0523 2.0582 2.2412 2.2467 2.9386 2.9436 3.3037 3.3058 3.3459 3.3502 6.5534 6.5555 7.6079 7.6102 7.6257 7.6281 8.1475 8.1506 k = 0.4569 0.5025 0.0640 ( 17474 PWs) bands (ev): -40.5764 -40.5764 -11.2985 -11.2984 -8.5391 -8.5360 -8.4987 -8.4977 -8.4544 -8.4515 -4.2667 -4.2633 -2.4698 -2.4464 -2.3713 -2.3272 -2.1295 -2.0991 -2.0105 -1.9802 -1.7958 -1.7692 -1.2107 -1.2043 -0.5573 -0.5557 -0.5124 -0.5011 0.1230 0.1246 1.4878 1.4964 1.7369 1.7469 2.0549 2.0625 2.2951 2.3004 2.9321 2.9381 3.2952 3.2973 3.3550 3.3608 6.5590 6.5617 7.6064 7.6091 7.6297 7.6328 8.1819 8.1855 k = 0.4483 0.5119 0.0768 ( 17466 PWs) bands (ev): -40.5764 -40.5764 -11.2984 -11.2982 -8.5472 -8.5442 -8.4999 -8.4987 -8.4450 -8.4420 -4.2638 -4.2599 -2.4741 -2.4457 -2.3740 -2.3221 -2.1342 -2.0977 -2.0128 -1.9774 -1.7992 -1.7679 -1.2205 -1.2124 -0.5658 -0.5639 -0.5046 -0.4915 0.1233 0.1252 1.4956 1.5071 1.6854 1.6979 2.0582 2.0674 2.3481 2.3532 2.9245 2.9313 3.2843 3.2866 3.3665 3.3736 6.5661 6.5693 7.6063 7.6093 7.6342 7.6379 8.2215 8.2256 k = 0.4397 0.5214 0.0896 ( 17478 PWs) bands (ev): -40.5764 -40.5764 -11.2982 -11.2980 -8.5554 -8.5524 -8.5011 -8.4998 -8.4353 -8.4323 -4.2606 -4.2561 -2.4788 -2.4452 -2.3763 -2.3170 -2.1392 -2.0966 -2.0148 -1.9749 -1.8029 -1.7674 -1.2310 -1.2211 -0.5759 -0.5738 -0.4956 -0.4810 0.1241 0.1264 1.5022 1.5181 1.6366 1.6530 2.0623 2.0732 2.3998 2.4047 2.9157 2.9232 3.2715 3.2741 3.3801 3.3882 6.5747 6.5783 7.6081 7.6114 7.6389 7.6431 8.2654 8.2699 k = 0.4311 0.5309 0.1023 ( 17482 PWs) bands (ev): -40.5764 -40.5764 -11.2980 -11.2979 -8.5637 -8.5608 -8.5023 -8.5008 -8.4253 -8.4223 -4.2571 -4.2521 -2.4836 -2.4448 -2.3783 -2.3121 -2.1445 -2.0958 -2.0165 -1.9725 -1.8069 -1.7679 -1.2418 -1.2299 -0.5873 -0.5850 -0.4859 -0.4700 0.1257 0.1284 1.5030 1.5249 1.5946 1.6171 2.0671 2.0796 2.4498 2.4546 2.9058 2.9138 3.2569 3.2601 3.3954 3.4045 6.5849 6.5889 7.6122 7.6159 7.6433 7.6481 8.3127 8.3175 k = 0.4225 0.5403 0.1151 ( 17478 PWs) bands (ev): -40.5764 -40.5764 -11.2979 -11.2977 -8.5721 -8.5692 -8.5034 -8.5018 -8.4150 -8.4120 -4.2535 -4.2479 -2.4887 -2.4445 -2.3801 -2.3074 -2.1502 -2.0953 -2.0179 -1.9704 -1.8114 -1.7695 -1.2525 -1.2388 -0.6000 -0.5976 -0.4758 -0.4588 0.1285 0.1316 1.4895 1.5104 1.5768 1.5989 2.0727 2.0869 2.4976 2.5023 2.8948 2.9032 3.2410 3.2447 3.4121 3.4220 6.5966 6.6011 7.6188 7.6228 7.6472 7.6524 8.3623 8.3673 k = 0.4139 0.5498 0.1279 ( 17490 PWs) bands (ev): -40.5764 -40.5764 -11.2979 -11.2977 -8.5804 -8.5776 -8.5043 -8.5027 -8.4045 -8.4014 -4.2498 -4.2437 -2.4939 -2.4443 -2.3816 -2.3030 -2.1564 -2.0950 -2.0190 -1.9686 -1.8162 -1.7724 -1.2628 -1.2474 -0.6136 -0.6111 -0.4657 -0.4478 0.1326 0.1362 1.4595 1.4725 1.5849 1.6005 2.0790 2.0950 2.5429 2.5475 2.8827 2.8914 3.2239 3.2283 3.4299 3.4404 6.6100 6.6149 7.6280 7.6323 7.6504 7.6560 8.4129 8.4180 k = 0.4053 0.5592 0.1407 ( 17482 PWs) bands (ev): -40.5764 -40.5764 -11.2979 -11.2977 -8.5889 -8.5861 -8.5052 -8.5034 -8.3936 -8.3905 -4.2461 -4.2397 -2.4992 -2.4442 -2.3828 -2.2988 -2.1629 -2.0949 -2.0199 -1.9669 -1.8215 -1.7768 -1.2724 -1.2554 -0.6282 -0.6256 -0.4559 -0.4373 0.1384 0.1425 1.4217 1.4296 1.6008 1.6136 2.0861 2.1038 2.5853 2.5898 2.8696 2.8785 3.2059 3.2113 3.4484 3.4595 6.6251 6.6304 7.6396 7.6442 7.6527 7.6586 8.4622 8.4673 k = 0.3967 0.5687 0.1535 ( 17466 PWs) bands (ev): -40.5764 -40.5764 -11.2981 -11.2978 -8.5972 -8.5945 -8.5058 -8.5040 -8.3825 -8.3794 -4.2427 -4.2359 -2.5045 -2.4442 -2.3840 -2.2949 -2.1699 -2.0949 -2.0205 -1.9655 -1.8272 -1.7827 -1.2811 -1.2629 -0.6435 -0.6408 -0.4468 -0.4275 0.1462 0.1508 1.3817 1.3868 1.6195 1.6321 2.0941 2.1135 2.6242 2.6286 2.8555 2.8644 3.1875 3.1940 3.4674 3.4790 6.6420 6.6477 7.6518 7.6530 7.6594 7.6620 8.5066 8.5115 k = 0.3880 0.5782 0.1663 ( 17456 PWs) bands (ev): -40.5764 -40.5764 -11.2984 -11.2981 -8.6055 -8.6028 -8.5062 -8.5043 -8.3711 -8.3680 -4.2396 -4.2324 -2.5097 -2.4443 -2.3850 -2.2914 -2.1773 -2.0951 -2.0210 -1.9643 -1.8333 -1.7904 -1.2887 -1.2697 -0.6595 -0.6566 -0.4385 -0.4188 0.1563 0.1614 1.3418 1.3452 1.6400 1.6534 2.1028 2.1241 2.6591 2.6635 2.8404 2.8494 3.1689 3.1767 3.4866 3.4985 6.6606 6.6666 7.6527 7.6575 7.6726 7.6768 8.5395 8.5441 k = 0.3794 0.5876 0.1791 ( 17464 PWs) bands (ev): -40.5764 -40.5764 -11.2989 -11.2986 -8.6136 -8.6110 -8.5063 -8.5045 -8.3594 -8.3564 -4.2369 -4.2295 -2.5149 -2.4444 -2.3859 -2.2883 -2.1850 -2.0953 -2.0213 -1.9634 -1.8397 -1.7996 -1.2952 -1.2758 -0.6759 -0.6728 -0.4313 -0.4112 0.1689 0.1745 1.3030 1.3052 1.6618 1.6766 2.1123 2.1355 2.6894 2.6940 2.8243 2.8334 3.1508 3.1600 3.5055 3.5178 6.6810 6.6874 7.6517 7.6571 7.6906 7.6956 8.5549 8.5588 k = 0.3708 0.5971 0.1919 ( 17454 PWs) bands (ev): -40.5764 -40.5764 -11.2995 -11.2992 -8.6214 -8.6189 -8.5062 -8.5044 -8.3475 -8.3445 -4.2348 -4.2273 -2.5198 -2.4446 -2.3867 -2.2857 -2.1928 -2.0956 -2.0215 -1.9627 -1.8463 -1.8104 -1.3007 -1.2813 -0.6927 -0.6893 -0.4253 -0.4048 0.1843 0.1904 1.2658 1.2673 1.6845 1.7009 2.1226 2.1477 2.7147 2.7195 2.8073 2.8167 3.1334 3.1441 3.5239 3.5364 6.7032 6.7099 7.6498 7.6555 7.7106 7.7162 8.5542 8.5571 k = 0.3622 0.6065 0.2047 ( 17466 PWs) bands (ev): -40.5764 -40.5764 -11.3004 -11.3001 -8.6289 -8.6265 -8.5059 -8.5040 -8.3354 -8.3324 -4.2334 -4.2258 -2.5246 -2.4448 -2.3875 -2.2837 -2.2006 -2.0958 -2.0216 -1.9621 -1.8530 -1.8224 -1.3053 -1.2863 -0.7099 -0.7060 -0.4206 -0.3998 0.2025 0.2090 1.2304 1.2314 1.7079 1.7260 2.1338 2.1609 2.7343 2.7393 2.7895 2.7996 3.1172 3.1297 3.5414 3.5541 6.7271 6.7341 7.6476 7.6536 7.7321 7.7382 8.5436 8.5457 k = 0.3536 0.6160 0.2175 ( 17466 PWs) bands (ev): -40.5764 -40.5764 -11.3015 -11.3012 -8.6360 -8.6337 -8.5053 -8.5034 -8.3231 -8.3201 -4.2329 -4.2253 -2.5292 -2.4452 -2.3883 -2.2826 -2.2081 -2.0961 -2.0217 -1.9618 -1.8599 -1.8356 -1.3090 -1.2908 -0.7271 -0.7227 -0.4171 -0.3961 0.2235 0.2305 1.1970 1.1980 1.7317 1.7515 2.1459 2.1750 2.7478 2.7521 2.7710 2.7834 3.1025 3.1168 3.5577 3.5705 6.7528 6.7599 7.6455 7.6517 7.7546 7.7612 8.5278 8.5292 k = 0.3536 0.6160 0.2175 ( 17466 PWs) bands (ev): -40.5764 -40.5764 -11.3015 -11.3012 -8.6360 -8.6337 -8.5053 -8.5034 -8.3231 -8.3201 -4.2329 -4.2253 -2.5292 -2.4452 -2.3883 -2.2826 -2.2081 -2.0961 -2.0217 -1.9618 -1.8599 -1.8356 -1.3090 -1.2908 -0.7271 -0.7227 -0.4171 -0.3961 0.2235 0.2305 1.1970 1.1980 1.7317 1.7515 2.1459 2.1750 2.7478 2.7521 2.7710 2.7834 3.1025 3.1168 3.5577 3.5705 6.7528 6.7599 7.6455 7.6517 7.7546 7.7612 8.5278 8.5292 k = 0.3368 0.6106 0.2248 ( 17476 PWs) bands (ev): -40.5764 -40.5764 -11.3025 -11.3022 -8.6400 -8.6377 -8.5045 -8.5027 -8.3156 -8.3126 -4.2334 -4.2259 -2.5316 -2.4453 -2.3888 -2.2823 -2.2124 -2.0962 -2.0218 -1.9618 -1.8647 -1.8445 -1.3095 -1.2920 -0.7379 -0.7330 -0.4158 -0.3947 0.2370 0.2442 1.1798 1.1809 1.7456 1.7663 2.1533 2.1835 2.7438 2.7513 2.7626 2.7789 3.0979 3.1132 3.5654 3.5783 6.7697 6.7769 7.6447 7.6511 7.7685 7.7753 8.5165 8.5177 k = 0.3199 0.6052 0.2321 ( 17476 PWs) bands (ev): -40.5764 -40.5764 -11.3038 -11.3035 -8.6440 -8.6418 -8.5032 -8.5013 -8.3073 -8.3043 -4.2352 -4.2277 -2.5337 -2.4453 -2.3893 -2.2824 -2.2172 -2.0962 -2.0220 -1.9620 -1.8715 -1.8551 -1.3073 -1.2906 -0.7501 -0.7448 -0.4150 -0.3939 0.2514 0.2588 1.1654 1.1666 1.7596 1.7811 2.1610 2.1921 2.7220 2.7276 2.7691 2.7832 3.0995 3.1159 3.5707 3.5837 6.7899 6.7973 7.6445 7.6514 7.7839 7.7906 8.5030 8.5041 k = 0.3031 0.5997 0.2395 ( 17469 PWs) bands (ev): -40.5764 -40.5764 -11.3054 -11.3051 -8.6481 -8.6460 -8.5012 -8.4993 -8.2983 -8.2953 -4.2381 -4.2308 -2.5355 -2.4452 -2.3899 -2.2829 -2.2223 -2.0962 -2.0223 -1.9625 -1.8804 -1.8662 -1.3026 -1.2871 -0.7634 -0.7578 -0.4143 -0.3936 0.2667 0.2743 1.1536 1.1550 1.7735 1.7959 2.1688 2.2007 2.6909 2.6953 2.7765 2.7899 3.1064 3.1237 3.5737 3.5866 6.8133 6.8208 7.6453 7.6529 7.8002 7.8068 8.4878 8.4887 k = 0.2862 0.5943 0.2468 ( 17471 PWs) bands (ev): -40.5764 -40.5764 -11.3074 -11.3071 -8.6523 -8.6502 -8.4987 -8.4968 -8.2887 -8.2858 -4.2420 -4.2349 -2.5370 -2.4450 -2.3905 -2.2841 -2.2274 -2.0962 -2.0227 -1.9635 -1.8920 -1.8765 -1.2961 -1.2817 -0.7777 -0.7717 -0.4138 -0.3935 0.2827 0.2904 1.1444 1.1460 1.7872 1.8103 2.1766 2.2092 2.6543 2.6584 2.7831 2.7964 3.1172 3.1352 3.5744 3.5873 6.8395 6.8472 7.6474 7.6559 7.8174 7.8238 8.4710 8.4719 k = 0.2694 0.5889 0.2541 ( 17472 PWs) bands (ev): -40.5764 -40.5764 -11.3096 -11.3093 -8.6565 -8.6546 -8.4957 -8.4939 -8.2785 -8.2758 -4.2469 -4.2400 -2.5381 -2.4447 -2.3913 -2.2862 -2.2322 -2.0961 -2.0234 -1.9651 -1.9055 -1.8857 -1.2882 -1.2749 -0.7926 -0.7864 -0.4131 -0.3934 0.2991 0.3069 1.1377 1.1395 1.8004 1.8240 2.1844 2.2176 2.6146 2.6189 2.7887 2.8020 3.1305 3.1491 3.5730 3.5858 6.8682 6.8760 7.6511 7.6606 7.8354 7.8416 8.4530 8.4541 k = 0.2526 0.5835 0.2615 ( 17470 PWs) bands (ev): -40.5764 -40.5764 -11.3120 -11.3117 -8.6607 -8.6589 -8.4924 -8.4906 -8.2680 -8.2653 -4.2525 -4.2459 -2.5389 -2.4444 -2.3921 -2.2896 -2.2362 -2.0960 -2.0243 -1.9677 -1.9192 -1.8940 -1.2794 -1.2672 -0.8077 -0.8014 -0.4123 -0.3933 0.3157 0.3236 1.1333 1.1353 1.8126 1.8367 2.1923 2.2259 2.5735 2.5784 2.7928 2.8064 3.1454 3.1644 3.5695 3.5822 6.8990 6.9069 7.6569 7.6673 7.8540 7.8600 8.4344 8.4354 k = 0.2357 0.5781 0.2688 ( 17466 PWs) bands (ev): -40.5764 -40.5764 -11.3145 -11.3142 -8.6649 -8.6633 -8.4888 -8.4871 -8.2572 -8.2546 -4.2588 -4.2525 -2.5394 -2.4441 -2.3930 -2.2945 -2.2393 -2.0960 -2.0257 -1.9720 -1.9315 -1.9017 -1.2701 -1.2589 -0.8227 -0.8164 -0.4113 -0.3932 0.3324 0.3402 1.1312 1.1334 1.8234 1.8477 2.2005 2.2343 2.5326 2.5381 2.7955 2.8092 3.1610 3.1802 3.5641 3.5768 6.9314 6.9394 7.6649 7.6762 7.8733 7.8790 8.4153 8.4164 k = 0.2189 0.5727 0.2761 ( 17460 PWs) bands (ev): -40.5764 -40.5764 -11.3171 -11.3168 -8.6691 -8.6675 -8.4851 -8.4835 -8.2462 -8.2437 -4.2657 -4.2597 -2.5395 -2.4439 -2.3941 -2.3007 -2.2411 -2.0962 -2.0278 -1.9788 -1.9408 -1.9088 -1.2606 -1.2504 -0.8372 -0.8310 -0.4101 -0.3929 0.3488 0.3566 1.1312 1.1336 1.8323 1.8566 2.2092 2.2430 2.4931 2.4994 2.7964 2.8103 3.1767 3.1960 3.5572 3.5697 6.9649 6.9729 7.6752 7.6874 7.8932 7.8987 8.3963 8.3974 k = 0.2021 0.5672 0.2834 ( 17469 PWs) bands (ev): -40.5764 -40.5764 -11.3198 -11.3195 -8.6731 -8.6717 -8.4813 -8.4798 -8.2351 -8.2329 -4.2729 -4.2673 -2.5391 -2.4440 -2.3952 -2.3081 -2.2417 -2.0969 -2.0308 -1.9873 -1.9469 -1.9152 -1.2515 -1.2421 -0.8509 -0.8449 -0.4086 -0.3924 0.3648 0.3726 1.1331 1.1357 1.8387 1.8626 2.2188 2.2521 2.4561 2.4632 2.7953 2.8094 3.1922 3.2115 3.5488 3.5611 6.9989 7.0069 7.6879 7.7007 7.9136 7.9188 8.3777 8.3788 k = 0.1852 0.5618 0.2908 ( 17470 PWs) bands (ev): -40.5764 -40.5764 -11.3224 -11.3222 -8.6770 -8.6757 -8.4776 -8.4761 -8.2243 -8.2221 -4.2804 -4.2752 -2.5384 -2.4444 -2.3963 -2.3161 -2.2413 -2.0984 -2.0348 -1.9960 -1.9507 -1.9210 -1.2430 -1.2344 -0.8635 -0.8578 -0.4069 -0.3919 0.3802 0.3878 1.1368 1.1395 1.8420 1.8651 2.2295 2.2621 2.4226 2.4306 2.7922 2.8064 3.2070 3.2262 3.5393 3.5514 7.0329 7.0407 7.7029 7.7161 7.9343 7.9391 8.3600 8.3612 k = 0.1684 0.5564 0.2981 ( 17464 PWs) bands (ev): -40.5764 -40.5764 -11.3250 -11.3248 -8.6807 -8.6795 -8.4739 -8.4726 -8.2136 -8.2117 -4.2879 -4.2831 -2.5372 -2.4455 -2.3973 -2.3244 -2.2401 -2.1011 -2.0398 -2.0033 -1.9532 -1.9261 -1.2354 -1.2275 -0.8748 -0.8693 -0.4051 -0.3913 0.3948 0.4021 1.1421 1.1449 1.8417 1.8635 2.2418 2.2731 2.3933 2.4022 2.7870 2.8011 3.2211 3.2400 3.5289 3.5409 7.0662 7.0737 7.7199 7.7332 7.9551 7.9595 8.3438 8.3450 k = 0.1515 0.5510 0.3054 ( 17474 PWs) bands (ev): -40.5764 -40.5764 -11.3275 -11.3273 -8.6841 -8.6831 -8.4705 -8.4692 -8.2034 -8.2017 -4.2953 -4.2910 -2.5355 -2.4472 -2.3981 -2.3325 -2.2381 -2.1057 -2.0447 -2.0090 -1.9548 -1.9307 -1.2288 -1.2215 -0.8845 -0.8795 -0.4032 -0.3906 0.4084 0.4154 1.1487 1.1517 1.8376 1.8577 2.2558 2.2853 2.3687 2.3788 2.7795 2.7935 3.2343 3.2528 3.5182 3.5299 7.0983 7.1055 7.7384 7.7517 7.9753 7.9793 8.3296 8.3308 k = 0.1347 0.5456 0.3128 ( 17473 PWs) bands (ev): -40.5764 -40.5764 -11.3298 -11.3296 -8.6873 -8.6863 -8.4672 -8.4661 -8.1938 -8.1922 -4.3024 -4.2985 -2.5334 -2.4500 -2.3985 -2.3403 -2.2354 -2.1124 -2.0485 -2.0133 -1.9560 -1.9346 -1.2233 -1.2167 -0.8926 -0.8880 -0.4012 -0.3900 0.4210 0.4276 1.1564 1.1594 1.8298 1.8479 2.2708 2.2981 2.3495 2.3610 2.7698 2.7835 3.2465 3.2644 3.5073 3.5188 7.1287 7.1354 7.7579 7.7708 7.9945 7.9979 8.3181 8.3193 k = 0.1179 0.5401 0.3201 ( 17479 PWs) bands (ev): -40.5764 -40.5764 -11.3319 -11.3318 -8.6901 -8.6893 -8.4642 -8.4632 -8.1850 -8.1835 -4.3091 -4.3057 -2.5307 -2.4538 -2.3983 -2.3475 -2.2321 -2.1209 -2.0507 -2.0169 -1.9567 -1.9381 -1.2190 -1.2130 -0.8991 -0.8950 -0.3992 -0.3893 0.4323 0.4384 1.1649 1.1679 1.8189 1.8349 2.2853 2.3086 2.3376 2.3508 2.7581 2.7713 3.2576 3.2747 3.4968 3.5078 7.1568 7.1629 7.7779 7.7900 8.0119 8.0147 8.3098 8.3111 k = 0.1010 0.5347 0.3274 ( 17475 PWs) bands (ev): -40.5764 -40.5764 -11.3339 -11.3337 -8.6927 -8.6920 -8.4615 -8.4607 -8.1769 -8.1757 -4.3152 -4.3122 -2.5275 -2.4586 -2.3976 -2.3541 -2.2282 -2.1308 -2.0512 -2.0202 -1.9571 -1.9411 -1.2157 -1.2104 -0.9041 -0.9004 -0.3973 -0.3888 0.4424 0.4479 1.1739 1.1767 1.8060 1.8197 2.2947 2.3096 2.3387 2.3526 2.7446 2.7572 3.2677 3.2836 3.4868 3.4973 7.1821 7.1876 7.7974 7.8085 8.0267 8.0289 8.3050 8.3065 k = 0.0842 0.5293 0.3347 ( 17475 PWs) bands (ev): -40.5764 -40.5764 -11.3355 -11.3354 -8.6948 -8.6942 -8.4592 -8.4585 -8.1699 -8.1689 -4.3205 -4.3181 -2.5238 -2.4643 -2.3963 -2.3601 -2.2236 -2.1413 -2.0506 -2.0232 -1.9572 -1.9438 -1.2133 -1.2088 -0.9077 -0.9046 -0.3955 -0.3883 0.4511 0.4558 1.1828 1.1855 1.7921 1.8036 2.2959 2.3040 2.3516 2.3654 2.7300 2.7416 3.2768 3.2911 3.4779 3.4875 7.2043 7.2090 7.8159 7.8256 8.0384 8.0401 8.3038 8.3053 k = 0.0674 0.5239 0.3421 ( 17477 PWs) bands (ev): -40.5764 -40.5764 -11.3369 -11.3369 -8.6966 -8.6961 -8.4572 -8.4567 -8.1639 -8.1631 -4.3251 -4.3231 -2.5195 -2.4706 -2.3944 -2.3655 -2.2183 -2.1519 -2.0490 -2.0263 -1.9570 -1.9462 -1.2116 -1.2079 -0.9102 -0.9076 -0.3938 -0.3881 0.4584 0.4623 1.1912 1.1936 1.7786 1.7878 2.2932 2.2983 2.3696 2.3821 2.7149 2.7253 3.2847 3.2970 3.4704 3.4788 7.2231 7.2269 7.8324 7.8406 8.0469 8.0481 8.3057 8.3071 k = 0.0505 0.5185 0.3494 ( 17476 PWs) bands (ev): -40.5764 -40.5764 -11.3381 -11.3380 -8.6980 -8.6976 -8.4557 -8.4552 -8.1592 -8.1586 -4.3287 -4.3272 -2.5147 -2.4773 -2.3921 -2.3704 -2.2123 -2.1623 -2.0469 -2.0294 -1.9565 -1.9484 -1.2105 -1.2077 -0.9117 -0.9098 -0.3923 -0.3880 0.4643 0.4673 1.1987 1.2006 1.7668 1.7738 2.2902 2.2937 2.3883 2.3985 2.7007 2.7094 3.2914 3.3013 3.4645 3.4713 7.2381 7.2410 7.8464 7.8527 8.0526 8.0534 8.3093 8.3105 k = 0.0337 0.5130 0.3567 ( 17485 PWs) bands (ev): -40.5764 -40.5764 -11.3389 -11.3388 -8.6990 -8.6987 -8.4545 -8.4542 -8.1557 -8.1553 -4.3312 -4.3302 -2.5094 -2.4841 -2.3893 -2.3749 -2.2057 -2.1722 -2.0444 -2.0325 -1.9557 -1.9503 -1.2097 -1.2078 -0.9126 -0.9112 -0.3910 -0.3881 0.4686 0.4707 1.2046 1.2059 1.7578 1.7625 2.2881 2.2904 2.4048 2.4121 2.6889 2.6953 3.2970 3.3039 3.4606 3.4654 7.2491 7.2511 7.8572 7.8615 8.0559 8.0564 8.3135 8.3144 k = 0.0168 0.5076 0.3640 ( 17489 PWs) bands (ev): -40.5764 -40.5764 -11.3394 -11.3393 -8.6995 -8.6994 -8.4538 -8.4536 -8.1536 -8.1534 -4.3327 -4.3322 -2.5036 -2.4909 -2.3862 -2.3790 -2.1984 -2.1816 -2.0416 -2.0356 -1.9547 -1.9520 -1.2090 -1.2081 -0.9128 -0.9122 -0.3899 -0.3885 0.4715 0.4725 1.2085 1.2092 1.7525 1.7548 2.2870 2.2882 2.4169 2.4208 2.6815 2.6849 3.3011 3.3047 3.4587 3.4612 7.2560 7.2570 7.8643 7.8665 8.0577 8.0579 8.3167 8.3172 k = 0.0000 0.5022 0.3714 ( 17476 PWs) bands (ev): -40.5764 -40.5764 -11.3395 -11.3395 -8.6997 -8.6997 -8.4535 -8.4535 -8.1528 -8.1528 -4.3330 -4.3330 -2.4974 -2.4974 -2.3827 -2.3827 -2.1903 -2.1903 -2.0386 -2.0386 -1.9534 -1.9534 -1.2085 -1.2085 -0.9127 -0.9127 -0.3891 -0.3891 0.4728 0.4728 1.2101 1.2101 1.7514 1.7514 2.2871 2.2871 2.4225 2.4225 2.6800 2.6800 3.3037 3.3037 3.4589 3.4589 7.2586 7.2586 7.8675 7.8675 8.0582 8.0582 8.3181 8.3181 k = 0.0000 0.5022 0.3714 ( 17476 PWs) bands (ev): -40.5764 -40.5764 -11.3395 -11.3395 -8.6997 -8.6997 -8.4535 -8.4535 -8.1528 -8.1528 -4.3330 -4.3330 -2.4974 -2.4974 -2.3827 -2.3827 -2.1903 -2.1903 -2.0386 -2.0386 -1.9534 -1.9534 -1.2085 -1.2085 -0.9127 -0.9127 -0.3891 -0.3891 0.4728 0.4728 1.2101 1.2101 1.7514 1.7514 2.2871 2.2871 2.4225 2.4225 2.6800 2.6800 3.3037 3.3037 3.4589 3.4589 7.2586 7.2586 7.8675 7.8675 8.0582 8.0582 8.3181 8.3181 k = 0.0089 0.4924 0.3846 ( 17476 PWs) bands (ev): -40.5764 -40.5764 -11.3394 -11.3393 -8.6997 -8.6995 -8.4540 -8.4538 -8.1530 -8.1529 -4.3327 -4.3322 -2.4993 -2.4956 -2.3878 -2.3775 -2.1921 -2.1885 -2.0424 -2.0353 -1.9571 -1.9494 -1.2139 -1.2074 -0.9152 -0.9083 -0.3908 -0.3896 0.4736 0.4754 1.2093 1.2111 1.7528 1.7538 2.2840 2.2876 2.4201 2.4253 2.6791 2.6818 3.3042 3.3049 3.4587 3.4594 7.2560 7.2572 7.8639 7.8677 8.0579 8.0601 8.3159 8.3169 k = 0.0179 0.4826 0.3979 ( 17478 PWs) bands (ev): -40.5764 -40.5764 -11.3389 -11.3389 -8.6994 -8.6992 -8.4554 -8.4550 -8.1534 -8.1532 -4.3314 -4.3302 -2.5013 -2.4939 -2.3927 -2.3721 -2.1939 -2.1867 -2.0465 -2.0324 -1.9603 -1.9450 -1.2231 -1.2106 -0.9157 -0.9024 -0.3947 -0.3923 0.4780 0.4816 1.2088 1.2125 1.7578 1.7598 2.2787 2.2856 2.4180 2.4279 2.6793 2.6845 3.3065 3.3077 3.4588 3.4602 7.2494 7.2518 7.8573 7.8646 8.0591 8.0632 8.3106 8.3125 k = 0.0268 0.4728 0.4112 ( 17484 PWs) bands (ev): -40.5764 -40.5764 -11.3381 -11.3381 -8.6990 -8.6986 -8.4575 -8.4570 -8.1541 -8.1539 -4.3289 -4.3272 -2.5035 -2.4923 -2.3974 -2.3666 -2.1958 -2.1848 -2.0509 -2.0297 -1.9632 -1.9403 -1.2359 -1.2180 -0.9143 -0.8952 -0.4006 -0.3970 0.4857 0.4911 1.2087 1.2141 1.7663 1.7693 2.2718 2.2812 2.4164 2.4299 2.6806 2.6880 3.3104 3.3122 3.4592 3.4613 7.2391 7.2426 7.8483 7.8583 8.0613 8.0668 8.3025 8.3054 k = 0.0357 0.4630 0.4244 ( 17480 PWs) bands (ev): -40.5764 -40.5764 -11.3371 -11.3370 -8.6985 -8.6979 -8.4604 -8.4598 -8.1551 -8.1548 -4.3255 -4.3231 -2.5057 -2.4908 -2.4018 -2.3611 -2.1978 -2.1829 -2.0556 -2.0274 -1.9657 -1.9354 -1.2518 -1.2292 -0.9113 -0.8873 -0.4085 -0.4037 0.4968 0.5039 1.2090 1.2162 1.7780 1.7820 2.2636 2.2749 2.4148 2.4310 2.6830 2.6921 3.3157 3.3180 3.4599 3.4628 7.2254 7.2299 7.8374 7.8495 8.0636 8.0699 8.2925 8.2965 k = 0.0446 0.4532 0.4377 ( 17482 PWs) bands (ev): -40.5764 -40.5764 -11.3357 -11.3356 -8.6977 -8.6970 -8.4641 -8.4633 -8.1564 -8.1559 -4.3210 -4.3181 -2.5082 -2.4893 -2.4058 -2.3555 -2.1999 -2.1809 -2.0605 -2.0254 -1.9678 -1.9303 -1.2704 -1.2436 -0.9070 -0.8791 -0.4181 -0.4121 0.5110 0.5197 1.2100 1.2188 1.7926 1.7975 2.2547 2.2673 2.4130 2.4307 2.6864 2.6967 3.3223 3.3251 3.4609 3.4646 7.2087 7.2140 7.8252 7.8388 8.0644 8.0713 8.2818 8.2871 k = 0.0536 0.4434 0.4510 ( 17486 PWs) bands (ev): -40.5764 -40.5764 -11.3341 -11.3340 -8.6969 -8.6960 -8.4684 -8.4674 -8.1579 -8.1574 -4.3155 -4.3121 -2.5108 -2.4880 -2.4095 -2.3498 -2.2021 -2.1789 -2.0656 -2.0236 -1.9697 -1.9250 -1.2911 -1.2608 -0.9018 -0.8709 -0.4291 -0.4220 0.5280 0.5382 1.2116 1.2221 1.8096 1.8154 2.2455 2.2590 2.4107 2.4289 2.6907 2.7017 3.3298 3.3331 3.4622 3.4670 7.1894 7.1954 7.8123 7.8268 8.0622 8.0696 8.2721 8.2788 k = 0.0625 0.4336 0.4642 ( 17478 PWs) bands (ev): -40.5764 -40.5764 -11.3323 -11.3321 -8.6960 -8.6949 -8.4732 -8.4720 -8.1596 -8.1590 -4.3092 -4.3053 -2.5135 -2.4868 -2.4128 -2.3441 -2.2045 -2.1767 -2.0707 -2.0220 -1.9713 -1.9196 -1.3136 -1.2801 -0.8963 -0.8629 -0.4414 -0.4331 0.5477 0.5593 1.2141 1.2261 1.8284 1.8351 2.2366 2.2506 2.4077 2.4256 2.6958 2.7070 3.3379 3.3419 3.4639 3.4699 7.1682 7.1746 7.7990 7.8140 8.0551 8.0631 8.2654 8.2734 k = 0.0714 0.4237 0.4775 ( 17470 PWs) bands (ev): -40.5764 -40.5764 -11.3302 -11.3300 -8.6950 -8.6938 -8.4785 -8.4771 -8.1616 -8.1610 -4.3020 -4.2976 -2.5165 -2.4857 -2.4156 -2.3383 -2.2071 -2.1746 -2.0757 -2.0205 -1.9727 -1.9141 -1.3376 -1.3012 -0.8906 -0.8555 -0.4546 -0.4451 0.5698 0.5827 1.2177 1.2311 1.8484 1.8560 2.2282 2.2425 2.4038 2.4208 2.7015 2.7126 3.3460 3.3511 3.4660 3.4736 7.1455 7.1523 7.7856 7.8008 8.0421 8.0506 8.2630 8.2721 k = 0.0804 0.4139 0.4907 ( 17458 PWs) bands (ev): -40.5764 -40.5764 -11.3279 -11.3277 -8.6941 -8.6927 -8.4841 -8.4826 -8.1638 -8.1631 -4.2942 -4.2893 -2.5196 -2.4847 -2.4180 -2.3325 -2.2099 -2.1723 -2.0807 -2.0191 -1.9739 -1.9086 -1.3628 -1.3236 -0.8852 -0.8489 -0.4684 -0.4578 0.5940 0.6081 1.2223 1.2371 1.8688 1.8773 2.2207 2.2353 2.3991 2.4147 2.7078 2.7185 3.3536 3.3603 3.4687 3.4781 7.1221 7.1291 7.7725 7.7877 8.0230 8.0321 8.2656 8.2753 k = 0.0893 0.4041 0.5040 ( 17458 PWs) bands (ev): -40.5764 -40.5764 -11.3254 -11.3252 -8.6932 -8.6917 -8.4899 -8.4882 -8.1662 -8.1655 -4.2857 -4.2804 -2.5228 -2.4840 -2.4199 -2.3268 -2.2128 -2.1701 -2.0854 -2.0177 -1.9751 -1.9032 -1.3889 -1.3469 -0.8801 -0.8431 -0.4827 -0.4709 0.6200 0.6353 1.2281 1.2442 1.8887 1.8981 2.2145 2.2294 2.3936 2.4073 2.7147 2.7246 3.3602 3.3689 3.4722 3.4836 7.0984 7.1056 7.7597 7.7747 7.9987 8.0082 8.2725 8.2826 k = 0.0982 0.3943 0.5173 ( 17456 PWs) bands (ev): -40.5764 -40.5764 -11.3227 -11.3225 -8.6925 -8.6907 -8.4958 -8.4939 -8.1688 -8.1680 -4.2767 -4.2710 -2.5261 -2.4834 -2.4213 -2.3210 -2.2159 -2.1678 -2.0899 -2.0164 -1.9762 -1.8977 -1.4155 -1.3708 -0.8757 -0.8382 -0.4971 -0.4841 0.6477 0.6641 1.2353 1.2526 1.9072 1.9175 2.2101 2.2252 2.3873 2.3991 2.7222 2.7312 3.3654 3.3763 3.4767 3.4903 7.0751 7.0823 7.7472 7.7619 7.9705 7.9804 8.2828 8.2930 k = 0.1071 0.3845 0.5305 ( 17458 PWs) bands (ev): -40.5764 -40.5764 -11.3200 -11.3197 -8.6919 -8.6900 -8.5016 -8.4996 -8.1716 -8.1707 -4.2672 -4.2612 -2.5295 -2.4830 -2.4222 -2.3154 -2.2189 -2.1655 -2.0941 -2.0152 -1.9773 -1.8922 -1.4424 -1.3949 -0.8719 -0.8345 -0.5114 -0.4973 0.6767 0.6942 1.2437 1.2622 1.9234 1.9345 2.2076 2.2230 2.3803 2.3900 2.7304 2.7384 3.3688 3.3819 3.4825 3.4981 7.0527 7.0599 7.7349 7.7492 7.9398 7.9500 8.2954 8.3055 k = 0.1161 0.3747 0.5438 ( 17460 PWs) bands (ev): -40.5764 -40.5764 -11.3172 -11.3169 -8.6916 -8.6895 -8.5073 -8.5050 -8.1745 -8.1735 -4.2575 -4.2512 -2.5329 -2.4828 -2.4227 -2.3099 -2.2219 -2.1633 -2.0980 -2.0139 -1.9784 -1.8868 -1.4694 -1.4191 -0.8689 -0.8318 -0.5255 -0.5101 0.7069 0.7254 1.2535 1.2730 1.9363 1.9483 2.2073 2.2230 2.3729 2.3802 2.7397 2.7467 3.3704 3.3853 3.4897 3.5069 7.0316 7.0387 7.7226 7.7363 7.9079 7.9187 8.3093 8.3194 k = 0.1250 0.3649 0.5571 ( 17458 PWs) bands (ev): -40.5764 -40.5764 -11.3143 -11.3140 -8.6916 -8.6893 -8.5126 -8.5102 -8.1775 -8.1765 -4.2476 -4.2411 -2.5363 -2.4828 -2.4227 -2.3048 -2.2246 -2.1611 -2.1016 -2.0127 -1.9794 -1.8815 -1.4962 -1.4432 -0.8666 -0.8302 -0.5392 -0.5226 0.7380 0.7574 1.2645 1.2851 1.9455 1.9582 2.2092 2.2250 2.3649 2.3701 2.7504 2.7564 3.3699 3.3862 3.4980 3.5165 7.0121 7.0191 7.7097 7.7227 7.8764 7.8877 8.3238 8.3339 k = 0.1339 0.3551 0.5703 ( 17462 PWs) bands (ev): -40.5764 -40.5764 -11.3114 -11.3111 -8.6919 -8.6894 -8.5175 -8.5149 -8.1805 -8.1795 -4.2377 -4.2309 -2.5396 -2.4831 -2.4223 -2.3002 -2.2267 -2.1590 -2.1048 -2.0114 -1.9806 -1.8762 -1.5225 -1.4668 -0.8650 -0.8297 -0.5524 -0.5345 0.7697 0.7901 1.2768 1.2984 1.9506 1.9639 2.2129 2.2287 2.3564 2.3597 2.7628 2.7678 3.3674 3.3847 3.5073 3.5266 6.9946 7.0015 7.6957 7.7076 7.8467 7.8586 8.3383 8.3484 k = 0.1429 0.3453 0.5836 ( 17474 PWs) bands (ev): -40.5764 -40.5764 -11.3085 -11.3082 -8.6925 -8.6899 -8.5219 -8.5191 -8.1836 -8.1826 -4.2278 -4.2209 -2.5428 -2.4837 -2.4216 -2.2965 -2.2278 -2.1571 -2.1077 -2.0102 -1.9818 -1.8710 -1.5480 -1.4900 -0.8641 -0.8300 -0.5649 -0.5457 0.8018 0.8231 1.2902 1.3128 1.9517 1.9655 2.2179 2.2332 2.3474 2.3494 2.7773 2.7813 3.3630 3.3809 3.5172 3.5368 6.9791 6.9859 7.6796 7.6903 7.8202 7.8327 8.3521 8.3622 k = 0.1518 0.3355 0.5968 ( 17478 PWs) bands (ev): -40.5764 -40.5764 -11.3057 -11.3054 -8.6936 -8.6908 -8.5257 -8.5228 -8.1867 -8.1856 -4.2181 -4.2111 -2.5459 -2.4844 -2.4205 -2.2940 -2.2276 -2.1554 -2.1103 -2.0090 -1.9830 -1.8660 -1.5725 -1.5124 -0.8638 -0.8313 -0.5767 -0.5562 0.8339 0.8561 1.3046 1.3282 1.9493 1.9634 2.2233 2.2380 2.3374 2.3397 2.7940 2.7971 3.3569 3.3750 3.5271 3.5469 6.9659 6.9725 7.6610 7.6701 7.7981 7.8111 8.3648 8.3749 k = 0.1607 0.3257 0.6101 ( 17470 PWs) bands (ev): -40.5764 -40.5764 -11.3030 -11.3027 -8.6949 -8.6920 -8.5290 -8.5259 -8.1898 -8.1887 -4.2087 -4.2017 -2.5487 -2.4853 -2.4191 -2.2928 -2.2259 -2.1540 -2.1126 -2.0078 -1.9843 -1.8611 -1.5957 -1.5340 -0.8639 -0.8332 -0.5878 -0.5659 0.8657 0.8888 1.3198 1.3443 1.9438 1.9580 2.2284 2.2422 2.3269 2.3303 2.8130 2.8154 3.3490 3.3672 3.5368 3.5566 6.9548 6.9613 7.6398 7.6471 7.7808 7.7942 8.3759 8.3860 k = 0.1696 0.3159 0.6234 ( 17472 PWs) bands (ev): -40.5764 -40.5764 -11.3004 -11.3001 -8.6965 -8.6935 -8.5316 -8.5284 -8.1927 -8.1916 -4.1998 -4.1927 -2.5513 -2.4864 -2.4175 -2.2930 -2.2226 -2.1528 -2.1146 -2.0066 -1.9856 -1.8565 -1.6173 -1.5547 -0.8644 -0.8357 -0.5979 -0.5748 0.8968 0.9207 1.3356 1.3611 1.9357 1.9500 2.2328 2.2455 2.3165 2.3208 2.8341 2.8361 3.3396 3.3577 3.5461 3.5656 6.9458 6.9522 7.6166 7.6224 7.7680 7.7815 8.3852 8.3952 k = 0.1786 0.3060 0.6366 ( 17464 PWs) bands (ev): -40.5764 -40.5764 -11.2980 -11.2977 -8.6983 -8.6953 -8.5336 -8.5304 -8.1955 -8.1943 -4.1914 -4.1844 -2.5537 -2.4876 -2.4157 -2.2943 -2.2179 -2.1520 -2.1165 -2.0055 -1.9870 -1.8523 -1.6368 -1.5744 -0.8650 -0.8385 -0.6072 -0.5828 0.9267 0.9515 1.3518 1.3782 1.9257 1.9399 2.2362 2.2476 2.3065 2.3113 2.8567 2.8589 3.3288 3.3466 3.5547 3.5740 6.9388 6.9450 7.5927 7.5972 7.7587 7.7723 8.3924 8.4023 k = 0.1875 0.2962 0.6499 ( 17480 PWs) bands (ev): -40.5764 -40.5764 -11.2958 -11.2955 -8.7003 -8.6971 -8.5352 -8.5318 -8.1981 -8.1969 -4.1837 -4.1768 -2.5558 -2.4889 -2.4138 -2.2964 -2.2121 -2.1516 -2.1181 -2.0044 -1.9883 -1.8485 -1.6540 -1.5929 -0.8657 -0.8415 -0.6156 -0.5900 0.9549 0.9805 1.3680 1.3954 1.9143 1.9282 2.2384 2.2486 2.2971 2.3020 2.8805 2.8833 3.3169 3.3343 3.5624 3.5814 6.9335 6.9396 7.5692 7.5727 7.7520 7.7656 8.3975 8.4073 k = 0.1964 0.2864 0.6632 ( 17478 PWs) bands (ev): -40.5764 -40.5764 -11.2938 -11.2935 -8.7022 -8.6990 -8.5363 -8.5329 -8.2005 -8.1993 -4.1768 -4.1700 -2.5576 -2.4902 -2.4119 -2.2990 -2.2055 -2.1516 -2.1197 -2.0035 -1.9896 -1.8453 -1.6685 -1.6101 -0.8664 -0.8447 -0.6230 -0.5964 0.9810 1.0073 1.3840 1.4123 1.9019 1.9156 2.2395 2.2485 2.2886 2.2933 2.9049 2.9084 3.3041 3.3209 3.5692 3.5879 6.9297 6.9357 7.5472 7.5500 7.7472 7.7608 8.4007 8.4103 k = 0.2054 0.2766 0.6764 ( 17478 PWs) bands (ev): -40.5764 -40.5764 -11.2921 -11.2917 -8.7040 -8.7008 -8.5370 -8.5336 -8.2026 -8.2014 -4.1708 -4.1641 -2.5590 -2.4914 -2.4101 -2.3018 -2.1984 -2.1521 -2.1211 -2.0027 -1.9908 -1.8428 -1.6800 -1.6260 -0.8670 -0.8477 -0.6293 -0.6018 1.0043 1.0312 1.3993 1.4284 1.8894 1.9026 2.2396 2.2475 2.2811 2.2855 2.9291 2.9332 3.2909 3.3068 3.5750 3.5934 6.9271 6.9330 7.5275 7.5297 7.7438 7.7574 8.4023 8.4116 k = 0.2143 0.2668 0.6897 ( 17470 PWs) bands (ev): -40.5764 -40.5764 -11.2907 -11.2903 -8.7057 -8.7025 -8.5375 -8.5341 -8.2043 -8.2032 -4.1657 -4.1591 -2.5603 -2.4926 -2.4084 -2.3044 -2.1913 -2.1533 -2.1224 -2.0020 -1.9918 -1.8411 -1.6882 -1.6403 -0.8673 -0.8506 -0.6346 -0.6062 1.0243 1.0517 1.4133 1.4433 1.8773 1.8901 2.2388 2.2460 2.2749 2.2792 2.9520 2.9566 3.2777 3.2928 3.5797 3.5979 6.9255 6.9313 7.5106 7.5124 7.7414 7.7549 8.4026 8.4117 k = 0.2232 0.2570 0.7030 ( 17480 PWs) bands (ev): -40.5764 -40.5764 -11.2895 -11.2891 -8.7071 -8.7039 -8.5378 -8.5343 -8.2058 -8.2046 -4.1617 -4.1552 -2.5612 -2.4935 -2.4069 -2.3066 -2.1843 -2.1551 -2.1236 -2.0015 -1.9925 -1.8401 -1.6931 -1.6529 -0.8675 -0.8530 -0.6387 -0.6098 1.0405 1.0683 1.4253 1.4560 1.8666 1.8789 2.2376 2.2440 2.2701 2.2744 2.9726 2.9773 3.2656 3.2795 3.5834 3.6014 6.9245 6.9303 7.4970 7.4986 7.7397 7.7532 8.4023 8.4110 k = 0.2321 0.2472 0.7162 ( 17482 PWs) bands (ev): -40.5764 -40.5764 -11.2887 -11.2883 -8.7081 -8.7049 -8.5379 -8.5345 -8.2068 -8.2056 -4.1587 -4.1524 -2.5618 -2.4942 -2.4058 -2.3084 -2.1776 -2.1577 -2.1246 -2.0013 -1.9931 -1.8397 -1.6950 -1.6634 -0.8675 -0.8550 -0.6417 -0.6123 1.0524 1.0805 1.4347 1.4660 1.8580 1.8700 2.2363 2.2420 2.2668 2.2713 2.9894 2.9938 3.2555 3.2682 3.5861 3.6039 6.9240 6.9297 7.4871 7.4885 7.7386 7.7521 8.4016 8.4101 k = 0.2411 0.2374 0.7295 ( 17476 PWs) bands (ev): -40.5764 -40.5764 -11.2882 -11.2878 -8.7088 -8.7055 -8.5380 -8.5346 -8.2074 -8.2062 -4.1570 -4.1507 -2.5622 -2.4947 -2.4051 -2.3095 -2.1716 -2.1612 -2.1252 -2.0011 -1.9934 -1.8395 -1.6949 -1.6709 -0.8674 -0.8563 -0.6436 -0.6138 1.0597 1.0879 1.4407 1.4724 1.8525 1.8642 2.2354 2.2405 2.2649 2.2694 3.0005 3.0046 3.2488 3.2604 3.5877 3.6053 6.9238 6.9294 7.4811 7.4824 7.7379 7.7515 8.4011 8.4094 k = 0.2500 0.2276 0.7427 ( 17480 PWs) bands (ev): -40.5764 -40.5764 -11.2880 -11.2876 -8.7090 -8.7058 -8.5380 -8.5346 -8.2076 -8.2064 -4.1564 -4.1501 -2.5623 -2.4948 -2.4049 -2.3099 -2.1677 -2.1643 -2.1254 -2.0011 -1.9935 -1.8395 -1.6944 -1.6739 -0.8673 -0.8568 -0.6442 -0.6143 1.0621 1.0905 1.4427 1.4746 1.8506 1.8622 2.2350 2.2399 2.2643 2.2688 3.0045 3.0083 3.2464 3.2576 3.5882 3.6058 6.9237 6.9293 7.4791 7.4803 7.7377 7.7512 8.4008 8.4092 k = 0.2500 0.2276 0.7427 ( 17480 PWs) bands (ev): -40.5764 -40.5764 -11.2880 -11.2876 -8.7090 -8.7058 -8.5380 -8.5346 -8.2076 -8.2064 -4.1564 -4.1501 -2.5623 -2.4948 -2.4049 -2.3099 -2.1677 -2.1643 -2.1254 -2.0011 -1.9935 -1.8395 -1.6944 -1.6739 -0.8673 -0.8568 -0.6442 -0.6143 1.0621 1.0905 1.4427 1.4746 1.8506 1.8622 2.2350 2.2399 2.2643 2.2688 3.0045 3.0083 3.2464 3.2576 3.5882 3.6058 6.9237 6.9293 7.4791 7.4803 7.7377 7.7512 8.4008 8.4092 k = 0.2604 0.2371 0.7299 ( 17474 PWs) bands (ev): -40.5764 -40.5764 -11.2881 -11.2877 -8.7089 -8.7057 -8.5379 -8.5345 -8.2075 -8.2063 -4.1567 -4.1504 -2.5623 -2.4950 -2.4049 -2.3099 -2.1703 -2.1620 -2.1251 -2.0033 -1.9915 -1.8399 -1.6949 -1.6728 -0.8668 -0.8560 -0.6428 -0.6131 1.0598 1.0879 1.4423 1.4739 1.8508 1.8625 2.2266 2.2318 2.2734 2.2777 3.0027 3.0065 3.2468 3.2581 3.5893 3.6068 6.9239 6.9295 7.4804 7.4817 7.7370 7.7505 8.4006 8.4090 k = 0.2708 0.2466 0.7171 ( 17471 PWs) bands (ev): -40.5764 -40.5764 -11.2883 -11.2879 -8.7088 -8.7056 -8.5377 -8.5343 -8.2073 -8.2061 -4.1575 -4.1512 -2.5622 -2.4954 -2.4048 -2.3099 -2.1748 -2.1585 -2.1244 -2.0075 -1.9880 -1.8409 -1.6957 -1.6700 -0.8651 -0.8538 -0.6387 -0.6094 1.0526 1.0801 1.4410 1.4719 1.8515 1.8632 2.2108 2.2164 2.2912 2.2953 2.9973 3.0014 3.2483 3.2598 3.5924 3.6096 6.9245 6.9301 7.4845 7.4858 7.7349 7.7482 8.3999 8.4082 k = 0.2812 0.2560 0.7043 ( 17475 PWs) bands (ev): -40.5764 -40.5764 -11.2886 -11.2882 -8.7086 -8.7054 -8.5374 -8.5340 -8.2070 -8.2059 -4.1587 -4.1525 -2.5621 -2.4960 -2.4048 -2.3099 -2.1800 -2.1546 -2.1236 -2.0121 -1.9842 -1.8426 -1.6962 -1.6661 -0.8623 -0.8501 -0.6322 -0.6033 1.0407 1.0672 1.4390 1.4686 1.8522 1.8640 2.1935 2.1995 2.3119 2.3158 2.9889 2.9932 3.2510 3.2628 3.5971 3.6139 6.9254 6.9309 7.4914 7.4927 7.7313 7.7444 8.3983 8.4066 k = 0.2917 0.2655 0.6915 ( 17465 PWs) bands (ev): -40.5764 -40.5764 -11.2890 -11.2886 -8.7082 -8.7051 -8.5370 -8.5337 -8.2068 -8.2056 -4.1603 -4.1541 -2.5620 -2.4969 -2.4048 -2.3099 -2.1854 -2.1506 -2.1227 -2.0164 -1.9805 -1.8450 -1.6958 -1.6617 -0.8582 -0.8452 -0.6235 -0.5951 1.0243 1.0495 1.4362 1.4641 1.8527 1.8647 2.1761 2.1826 2.3342 2.3380 2.9782 2.9826 3.2548 3.2669 3.6031 3.6194 6.9267 6.9321 7.5008 7.5023 7.7263 7.7391 8.3957 8.4040 k = 0.3021 0.2750 0.6786 ( 17467 PWs) bands (ev): -40.5764 -40.5764 -11.2894 -11.2890 -8.7078 -8.7048 -8.5365 -8.5333 -8.2067 -8.2055 -4.1621 -4.1558 -2.5618 -2.4979 -2.4047 -2.3099 -2.1909 -2.1469 -2.1217 -2.0203 -1.9768 -1.8479 -1.6945 -1.6570 -0.8530 -0.8390 -0.6127 -0.5849 1.0037 1.0275 1.4324 1.4584 1.8527 1.8649 2.1594 2.1663 2.3574 2.3611 2.9659 2.9703 3.2594 3.2717 3.6100 3.6256 6.9283 6.9337 7.5128 7.5144 7.7203 7.7328 8.3921 8.4002 k = 0.3125 0.2845 0.6658 ( 17468 PWs) bands (ev): -40.5764 -40.5764 -11.2898 -11.2895 -8.7073 -8.7043 -8.5359 -8.5328 -8.2068 -8.2057 -4.1640 -4.1577 -2.5616 -2.4991 -2.4046 -2.3099 -2.1963 -2.1438 -2.1200 -2.0236 -1.9732 -1.8512 -1.6922 -1.6522 -0.8467 -0.8317 -0.6001 -0.5729 0.9793 1.0015 1.4278 1.4516 1.8518 1.8644 2.1437 2.1509 2.3813 2.3849 2.9529 2.9573 3.2644 3.2767 3.6175 3.6324 6.9304 6.9356 7.5271 7.5289 7.7135 7.7257 8.3872 8.3952 k = 0.3229 0.2940 0.6530 ( 17473 PWs) bands (ev): -40.5764 -40.5764 -11.2902 -11.2899 -8.7066 -8.7038 -8.5353 -8.5323 -8.2071 -8.2061 -4.1659 -4.1595 -2.5614 -2.5003 -2.4045 -2.3098 -2.2016 -2.1419 -2.1172 -2.0260 -1.9695 -1.8548 -1.6892 -1.6475 -0.8394 -0.8235 -0.5861 -0.5594 0.9516 0.9721 1.4221 1.4438 1.8499 1.8629 2.1294 2.1368 2.4054 2.4089 2.9399 2.9444 3.2693 3.2816 3.6252 3.6392 6.9328 6.9379 7.5434 7.5456 7.7065 7.7182 8.3812 8.3891 k = 0.3333 0.3034 0.6402 ( 17458 PWs) bands (ev): -40.5764 -40.5764 -11.2906 -11.2903 -8.7058 -8.7031 -8.5346 -8.5317 -8.2079 -8.2069 -4.1678 -4.1613 -2.5613 -2.5015 -2.4043 -2.3095 -2.2066 -2.1414 -2.1129 -2.0276 -1.9659 -1.8584 -1.6855 -1.6428 -0.8314 -0.8146 -0.5708 -0.5447 0.9209 0.9398 1.4155 1.4351 1.8467 1.8603 2.1167 2.1244 2.4297 2.4331 2.9273 2.9321 3.2738 3.2860 3.6327 3.6459 6.9356 6.9405 7.5615 7.5641 7.6997 7.7111 8.3742 8.3818 k = 0.3438 0.3129 0.6273 ( 17451 PWs) bands (ev): -40.5764 -40.5764 -11.2910 -11.2907 -8.7049 -8.7023 -8.5339 -8.5311 -8.2092 -8.2082 -4.1695 -4.1629 -2.5611 -2.5026 -2.4040 -2.3089 -2.2113 -2.1422 -2.1073 -2.0282 -1.9622 -1.8619 -1.6814 -1.6383 -0.8226 -0.8051 -0.5546 -0.5289 0.8878 0.9051 1.4081 1.4255 1.8421 1.8566 2.1057 2.1137 2.4538 2.4571 2.9156 2.9209 3.2774 3.2895 3.6399 3.6522 6.9387 6.9434 7.5805 7.5838 7.6939 7.7051 8.3664 8.3736 k = 0.3542 0.3224 0.6145 ( 17455 PWs) bands (ev): -40.5764 -40.5764 -11.2913 -11.2910 -8.7038 -8.7013 -8.5332 -8.5306 -8.2109 -8.2100 -4.1710 -4.1642 -2.5610 -2.5037 -2.4036 -2.3081 -2.2156 -2.1438 -2.1006 -2.0281 -1.9583 -1.8652 -1.6769 -1.6339 -0.8133 -0.7951 -0.5378 -0.5124 0.8528 0.8685 1.3998 1.4154 1.8361 1.8516 2.0964 2.1048 2.4776 2.4809 2.9052 2.9112 3.2801 3.2922 3.6463 3.6577 6.9420 6.9465 7.5994 7.6037 7.6905 7.7016 8.3579 8.3648 k = 0.3646 0.3319 0.6017 ( 17468 PWs) bands (ev): -40.5764 -40.5764 -11.2915 -11.2912 -8.7025 -8.7001 -8.5325 -8.5300 -8.2132 -8.2123 -4.1723 -4.1653 -2.5608 -2.5046 -2.4030 -2.3070 -2.2194 -2.1459 -2.0933 -2.0270 -1.9544 -1.8681 -1.6723 -1.6297 -0.8037 -0.7849 -0.5207 -0.4955 0.8162 0.8305 1.3908 1.4047 1.8290 1.8455 2.0888 2.0976 2.5011 2.5044 2.8963 2.9030 3.2817 3.2937 3.6518 3.6622 6.9453 6.9496 7.6160 7.6215 7.6920 7.7028 8.3490 8.3553 k = 0.3750 0.3414 0.5889 ( 17457 PWs) bands (ev): -40.5764 -40.5764 -11.2917 -11.2914 -8.7011 -8.6988 -8.5317 -8.5294 -8.2162 -8.2152 -4.1733 -4.1660 -2.5605 -2.5053 -2.4022 -2.3055 -2.2227 -2.1481 -2.0857 -2.0251 -1.9502 -1.8705 -1.6677 -1.6256 -0.7939 -0.7746 -0.5035 -0.4784 0.7785 0.7916 1.3813 1.3937 1.8209 1.8386 2.0825 2.0920 2.5241 2.5275 2.8890 2.8965 3.2820 3.2941 3.6561 3.6655 6.9486 6.9526 7.6276 7.6336 7.7017 7.7117 8.3397 8.3455 k = 0.3854 0.3509 0.5760 ( 17453 PWs) bands (ev): -40.5764 -40.5764 -11.2918 -11.2915 -8.6994 -8.6973 -8.5310 -8.5288 -8.2197 -8.2187 -4.1740 -4.1665 -2.5602 -2.5059 -2.4012 -2.3037 -2.2255 -2.1504 -2.0782 -2.0221 -1.9459 -1.8724 -1.6630 -1.6216 -0.7839 -0.7643 -0.4867 -0.4616 0.7402 0.7522 1.3713 1.3825 1.8122 1.8310 2.0775 2.0878 2.5466 2.5502 2.8833 2.8917 3.2811 3.2934 3.6589 3.6674 6.9515 6.9553 7.6333 7.6390 7.7208 7.7292 8.3302 8.3355 k = 0.3958 0.3603 0.5632 ( 17462 PWs) bands (ev): -40.5764 -40.5764 -11.2918 -11.2915 -8.6976 -8.6956 -8.5303 -8.5282 -8.2238 -8.2228 -4.1744 -4.1666 -2.5597 -2.5063 -2.4000 -2.3015 -2.2275 -2.1527 -2.0710 -2.0179 -1.9413 -1.8736 -1.6584 -1.6176 -0.7741 -0.7541 -0.4704 -0.4452 0.7017 0.7127 1.3611 1.3712 1.8031 1.8231 2.0734 2.0845 2.5686 2.5725 2.8790 2.8884 3.2791 3.2917 3.6601 3.6678 6.9538 6.9574 7.6352 7.6405 7.7462 7.7532 8.3205 8.3254 k = 0.4062 0.3698 0.5504 ( 17460 PWs) bands (ev): -40.5764 -40.5764 -11.2917 -11.2914 -8.6956 -8.6937 -8.5295 -8.5276 -8.2284 -8.2275 -4.1746 -4.1665 -2.5591 -2.5066 -2.3986 -2.2991 -2.2288 -2.1548 -2.0646 -2.0125 -1.9365 -1.8741 -1.6538 -1.6135 -0.7644 -0.7442 -0.4551 -0.4297 0.6635 0.6736 1.3506 1.3600 1.7941 1.8151 2.0701 2.0821 2.5902 2.5944 2.8761 2.8864 3.2760 3.2890 3.6597 3.6664 6.9553 6.9587 7.6355 7.6407 7.7752 7.7811 8.3109 8.3153 k = 0.4167 0.3793 0.5376 ( 17461 PWs) bands (ev): -40.5764 -40.5764 -11.2916 -11.2913 -8.6933 -8.6915 -8.5288 -8.5271 -8.2336 -8.2326 -4.1746 -4.1662 -2.5583 -2.5068 -2.3970 -2.2966 -2.2293 -2.1568 -2.0591 -2.0059 -1.9312 -1.8737 -1.6492 -1.6093 -0.7549 -0.7347 -0.4409 -0.4154 0.6259 0.6353 1.3402 1.3490 1.7853 1.8073 2.0672 2.0802 2.6113 2.6158 2.8743 2.8855 3.2721 3.2856 3.6573 3.6632 6.9557 6.9590 7.6355 7.6409 7.8063 7.8116 8.3014 8.3053 k = 0.4271 0.3888 0.5247 ( 17454 PWs) bands (ev): -40.5764 -40.5764 -11.2915 -11.2912 -8.6908 -8.6892 -8.5281 -8.5265 -8.2393 -8.2382 -4.1745 -4.1658 -2.5572 -2.5068 -2.3952 -2.2940 -2.2288 -2.1586 -2.0546 -1.9984 -1.9256 -1.8725 -1.6446 -1.6048 -0.7458 -0.7256 -0.4282 -0.4024 0.5893 0.5981 1.3298 1.3382 1.7771 1.7999 2.0647 2.0786 2.6319 2.6366 2.8733 2.8854 3.2677 3.2818 3.6531 3.6582 6.9548 6.9581 7.6356 7.6413 7.8389 7.8436 8.2921 8.2957 k = 0.4375 0.3983 0.5119 ( 17452 PWs) bands (ev): -40.5764 -40.5764 -11.2913 -11.2910 -8.6882 -8.6866 -8.5274 -8.5260 -8.2453 -8.2441 -4.1744 -4.1653 -2.5559 -2.5067 -2.3933 -2.2915 -2.2274 -2.1602 -2.0511 -1.9906 -1.9193 -1.8702 -1.6397 -1.5999 -0.7371 -0.7171 -0.4171 -0.3911 0.5540 0.5623 1.3196 1.3278 1.7696 1.7932 2.0625 2.0773 2.6519 2.6568 2.8728 2.8857 3.2631 3.2777 3.6469 3.6513 6.9524 6.9558 7.6357 7.6419 7.8724 7.8768 8.2831 8.2866 k = 0.4479 0.4078 0.4991 ( 17458 PWs) bands (ev): -40.5764 -40.5764 -11.2911 -11.2908 -8.6853 -8.6838 -8.5268 -8.5256 -8.2515 -8.2504 -4.1743 -4.1650 -2.5543 -2.5065 -2.3913 -2.2892 -2.2252 -2.1616 -2.0482 -1.9831 -1.9125 -1.8669 -1.6345 -1.5943 -0.7288 -0.7090 -0.4080 -0.3817 0.5203 0.5283 1.3098 1.3179 1.7630 1.7873 2.0605 2.0760 2.6711 2.6762 2.8724 2.8860 3.2586 3.2739 3.6390 3.6427 6.9484 6.9519 7.6356 7.6424 7.9067 7.9109 8.2746 8.2779 k = 0.4583 0.4172 0.4863 ( 17454 PWs) bands (ev): -40.5764 -40.5764 -11.2909 -11.2906 -8.6822 -8.6808 -8.5262 -8.5252 -8.2580 -8.2567 -4.1744 -4.1648 -2.5524 -2.5062 -2.3893 -2.2870 -2.2222 -2.1627 -2.0459 -1.9763 -1.9050 -1.8626 -1.6286 -1.5878 -0.7211 -0.7016 -0.4008 -0.3742 0.4885 0.4962 1.3005 1.3086 1.7573 1.7823 2.0587 2.0750 2.6892 2.6943 2.8718 2.8860 3.2549 3.2707 3.6292 3.6324 6.9427 6.9463 7.6350 7.6423 7.9418 7.9457 8.2668 8.2699 k = 0.4688 0.4267 0.4735 ( 17442 PWs) bands (ev): -40.5764 -40.5764 -11.2907 -11.2904 -8.6789 -8.6776 -8.5256 -8.5248 -8.2645 -8.2631 -4.1748 -4.1649 -2.5503 -2.5057 -2.3874 -2.2850 -2.2187 -2.1634 -2.0439 -1.9708 -1.8971 -1.8575 -1.6216 -1.5803 -0.7140 -0.6949 -0.3957 -0.3689 0.4587 0.4662 1.2918 1.3000 1.7527 1.7781 2.0571 2.0740 2.7060 2.7109 2.8706 2.8852 3.2523 3.2686 3.6178 3.6205 6.9352 6.9391 7.6335 7.6412 7.9774 7.9812 8.2594 8.2623 k = 0.4792 0.4362 0.4606 ( 17456 PWs) bands (ev): -40.5764 -40.5764 -11.2907 -11.2903 -8.6755 -8.6741 -8.5251 -8.5245 -8.2709 -8.2695 -4.1755 -4.1654 -2.5479 -2.5050 -2.3854 -2.2832 -2.2151 -2.1636 -2.0422 -1.9666 -1.8894 -1.8516 -1.6133 -1.5714 -0.7074 -0.6887 -0.3928 -0.3657 0.4311 0.4385 1.2839 1.2922 1.7491 1.7749 2.0558 2.0733 2.7210 2.7255 2.8684 2.8833 3.2514 3.2681 3.6049 3.6073 6.9262 6.9303 7.6310 7.6388 8.0135 8.0172 8.2524 8.2549 k = 0.4896 0.4457 0.4478 ( 17448 PWs) bands (ev): -40.5764 -40.5764 -11.2907 -11.2904 -8.6718 -8.6705 -8.5246 -8.5241 -8.2772 -8.2757 -4.1767 -4.1665 -2.5454 -2.5041 -2.3836 -2.2816 -2.2117 -2.1632 -2.0407 -1.9635 -1.8823 -1.8454 -1.6031 -1.5609 -0.7015 -0.6833 -0.3918 -0.3646 0.4056 0.4129 1.2769 1.2854 1.7463 1.7724 2.0549 2.0728 2.7337 2.7378 2.8650 2.8799 3.2526 3.2694 3.5908 3.5929 6.9158 6.9201 7.6274 7.6352 8.0500 8.0537 8.2450 8.2470 k = 0.5000 0.4552 0.4350 ( 17448 PWs) bands (ev): -40.5764 -40.5764 -11.2909 -11.2905 -8.6680 -8.6666 -8.5242 -8.5238 -8.2831 -8.2815 -4.1786 -4.1682 -2.5426 -2.5029 -2.3819 -2.2800 -2.2090 -2.1620 -2.0394 -1.9615 -1.8763 -1.8394 -1.5907 -1.5485 -0.6964 -0.6786 -0.3927 -0.3654 0.3822 0.3895 1.2711 1.2797 1.7443 1.7706 2.0547 2.0728 2.7436 2.7474 2.8601 2.8749 3.2562 3.2731 3.5756 3.5776 6.9040 6.9086 7.6228 7.6304 8.0865 8.0902 8.2367 8.2383 k = 0.5000 0.4552 0.4350 ( 17448 PWs) bands (ev): -40.5764 -40.5764 -11.2909 -11.2905 -8.6680 -8.6666 -8.5242 -8.5238 -8.2831 -8.2815 -4.1786 -4.1682 -2.5426 -2.5029 -2.3819 -2.2800 -2.2090 -2.1620 -2.0394 -1.9615 -1.8763 -1.8394 -1.5907 -1.5485 -0.6964 -0.6786 -0.3927 -0.3654 0.3822 0.3895 1.2711 1.2797 1.7443 1.7706 2.0547 2.0728 2.7436 2.7474 2.8601 2.8749 3.2562 3.2731 3.5756 3.5776 6.9040 6.9086 7.6228 7.6304 8.0865 8.0902 8.2367 8.2383 k = 0.5000 0.4552 0.4161 ( 17460 PWs) bands (ev): -40.5764 -40.5764 -11.2913 -11.2909 -8.6622 -8.6606 -8.5236 -8.5232 -8.2917 -8.2901 -4.1820 -4.1715 -2.5384 -2.5010 -2.3798 -2.2776 -2.2056 -2.1590 -2.0375 -1.9595 -1.8688 -1.8308 -1.5701 -1.5286 -0.6891 -0.6720 -0.3954 -0.3682 0.3498 0.3570 1.2650 1.2739 1.7410 1.7673 2.0549 2.0731 2.7550 2.7588 2.8518 2.8664 3.2633 3.2799 3.5525 3.5544 6.8849 6.8897 7.6149 7.6222 8.1399 8.1440 8.2222 8.2243 k = 0.5000 0.4552 0.3972 ( 17484 PWs) bands (ev): -40.5764 -40.5764 -11.2917 -11.2913 -8.6561 -8.6544 -8.5228 -8.5224 -8.3006 -8.2988 -4.1858 -4.1753 -2.5340 -2.4987 -2.3784 -2.2753 -2.2023 -2.1552 -2.0359 -1.9581 -1.8620 -1.8219 -1.5487 -1.5081 -0.6813 -0.6650 -0.3984 -0.3715 0.3188 0.3258 1.2621 1.2713 1.7360 1.7620 2.0552 2.0734 2.7646 2.7684 2.8436 2.8582 3.2698 3.2862 3.5296 3.5315 6.8636 6.8687 7.6063 7.6131 8.1860 8.1961 8.2063 8.2164 k = 0.5000 0.4552 0.3782 ( 17472 PWs) bands (ev): -40.5764 -40.5764 -11.2921 -11.2917 -8.6498 -8.6481 -8.5219 -8.5215 -8.3097 -8.3078 -4.1901 -4.1796 -2.5297 -2.4961 -2.3775 -2.2735 -2.1988 -2.1507 -2.0343 -1.9572 -1.8558 -1.8129 -1.5268 -1.4873 -0.6732 -0.6576 -0.4017 -0.3754 0.2895 0.2963 1.2624 1.2719 1.7291 1.7546 2.0557 2.0735 2.7720 2.7756 2.8358 2.8505 3.2759 3.2921 3.5072 3.5091 6.8406 6.8460 7.5972 7.6035 8.1802 8.1833 8.2524 8.2566 k = 0.5000 0.4552 0.3593 ( 17480 PWs) bands (ev): -40.5764 -40.5764 -11.2925 -11.2922 -8.6434 -8.6415 -8.5208 -8.5204 -8.3189 -8.3170 -4.1947 -4.1843 -2.5254 -2.4931 -2.3770 -2.2725 -2.1950 -2.1457 -2.0329 -1.9567 -1.8502 -1.8043 -1.5042 -1.4662 -0.6648 -0.6500 -0.4054 -0.3799 0.2621 0.2687 1.2662 1.2760 1.7206 1.7453 2.0562 2.0735 2.7760 2.7793 2.8292 2.8442 3.2815 3.2974 3.4855 3.4874 6.8163 6.8219 7.5879 7.5938 8.1567 8.1593 8.3062 8.3093 k = 0.5000 0.4552 0.3404 ( 17492 PWs) bands (ev): -40.5764 -40.5764 -11.2930 -11.2926 -8.6368 -8.6348 -8.5195 -8.5191 -8.3284 -8.3263 -4.1997 -4.1894 -2.5211 -2.4898 -2.3769 -2.2724 -2.1908 -2.1403 -2.0317 -1.9565 -1.8449 -1.7961 -1.4812 -1.4449 -0.6562 -0.6421 -0.4098 -0.3852 0.2371 0.2434 1.2736 1.2837 1.7105 1.7343 2.0567 2.0733 2.7743 2.7775 2.8260 2.8410 3.2865 3.3022 3.4648 3.4667 6.7914 6.7971 7.5787 7.5841 8.1282 8.1314 8.3590 8.3616 k = 0.5000 0.4552 0.3215 ( 17480 PWs) bands (ev): -40.5764 -40.5764 -11.2935 -11.2931 -8.6300 -8.6280 -8.5181 -8.5177 -8.3379 -8.3358 -4.2049 -4.1949 -2.5169 -2.4862 -2.3770 -2.2733 -2.1863 -2.1347 -2.0305 -1.9567 -1.8401 -1.7887 -1.4578 -1.4235 -0.6476 -0.6339 -0.4149 -0.3914 0.2145 0.2206 1.2846 1.2950 1.6988 1.7218 2.0571 2.0729 2.7653 2.7688 2.8275 2.8419 3.2911 3.3066 3.4453 3.4473 6.7662 6.7720 7.5698 7.5748 8.0959 8.0997 8.4094 8.4114 k = 0.5000 0.4552 0.3026 ( 17482 PWs) bands (ev): -40.5764 -40.5764 -11.2939 -11.2936 -8.6232 -8.6210 -8.5165 -8.5162 -8.3476 -8.3454 -4.2104 -4.2007 -2.5128 -2.4823 -2.3773 -2.2750 -2.1816 -2.1292 -2.0293 -1.9572 -1.8355 -1.7822 -1.4342 -1.4021 -0.6389 -0.6256 -0.4209 -0.3985 0.1947 0.2004 1.2991 1.3100 1.6859 1.7079 2.0573 2.0723 2.7497 2.7535 2.8325 2.8462 3.2953 3.3105 3.4272 3.4294 6.7414 6.7471 7.5615 7.5660 8.0604 8.0646 8.4510 8.4538 k = 0.5000 0.4552 0.2837 ( 17474 PWs) bands (ev): -40.5764 -40.5764 -11.2944 -11.2941 -8.6162 -8.6139 -8.5149 -8.5145 -8.3573 -8.3550 -4.2160 -4.2067 -2.5087 -2.4783 -2.3776 -2.2776 -2.1767 -2.1238 -2.0282 -1.9580 -1.8312 -1.7766 -1.4104 -1.3809 -0.6303 -0.6172 -0.4277 -0.4066 0.1776 0.1830 1.3173 1.3286 1.6720 1.6930 2.0574 2.0714 2.7288 2.7328 2.8396 2.8528 3.2990 3.3139 3.4108 3.4132 6.7172 6.7229 7.5539 7.5580 8.0226 8.0270 8.4560 8.4674 k = 0.5000 0.4552 0.2648 ( 17454 PWs) bands (ev): -40.5764 -40.5764 -11.2949 -11.2946 -8.6090 -8.6067 -8.5131 -8.5128 -8.3671 -8.3647 -4.2218 -4.2129 -2.5047 -2.4741 -2.3780 -2.2808 -2.1718 -2.1186 -2.0272 -1.9590 -1.8270 -1.7721 -1.3868 -1.3599 -0.6217 -0.6088 -0.4355 -0.4156 0.1632 0.1683 1.3389 1.3509 1.6573 1.6775 2.0573 2.0702 2.7033 2.7074 2.8479 2.8606 3.3022 3.3169 3.3960 3.3987 6.6941 6.6997 7.5474 7.5510 7.9832 7.9877 8.4412 8.4540 k = 0.5000 0.4552 0.2459 ( 17456 PWs) bands (ev): -40.5764 -40.5764 -11.2954 -11.2951 -8.6018 -8.5994 -8.5113 -8.5110 -8.3768 -8.3744 -4.2276 -4.2191 -2.5007 -2.4700 -2.3783 -2.2846 -2.1668 -2.1139 -2.0261 -1.9603 -1.8231 -1.7685 -1.3634 -1.3392 -0.6133 -0.6005 -0.4440 -0.4255 0.1516 0.1562 1.3636 1.3766 1.6423 1.6619 2.0570 2.0689 2.6734 2.6775 2.8569 2.8692 3.3049 3.3194 3.3831 3.3861 6.6723 6.6778 7.5422 7.5455 7.9430 7.9475 8.4220 8.4346 k = 0.5000 0.4552 0.2269 ( 17464 PWs) bands (ev): -40.5764 -40.5764 -11.2958 -11.2956 -8.5945 -8.5920 -8.5095 -8.5092 -8.3866 -8.3841 -4.2333 -4.2254 -2.4967 -2.4660 -2.3786 -2.2889 -2.1620 -2.1097 -2.0249 -1.9619 -1.8193 -1.7659 -1.3406 -1.3191 -0.6049 -0.5924 -0.4531 -0.4360 0.1423 0.1466 1.3910 1.4053 1.6274 1.6470 2.0564 2.0673 2.6394 2.6435 2.8663 2.8783 3.3072 3.3214 3.3720 3.3753 6.6522 6.6574 7.5387 7.5416 7.9028 7.9071 8.3997 8.4117 k = 0.5000 0.4552 0.2080 ( 17480 PWs) bands (ev): -40.5764 -40.5764 -11.2963 -11.2960 -8.5870 -8.5844 -8.5076 -8.5074 -8.3963 -8.3938 -4.2389 -4.2316 -2.4927 -2.4621 -2.3786 -2.2936 -2.1571 -2.1061 -2.0236 -1.9637 -1.8156 -1.7642 -1.3185 -1.2997 -0.5966 -0.5844 -0.4627 -0.4470 0.1353 0.1392 1.4201 1.4364 1.6135 1.6338 2.0558 2.0656 2.6015 2.6056 2.8761 2.8876 3.3090 3.3229 3.3626 3.3663 6.6337 6.6387 7.5372 7.5397 7.8633 7.8674 8.3745 8.3856 k = 0.5000 0.4552 0.1891 ( 17490 PWs) bands (ev): -40.5764 -40.5764 -11.2967 -11.2965 -8.5795 -8.5768 -8.5058 -8.5056 -8.4060 -8.4034 -4.2443 -4.2376 -2.4887 -2.4586 -2.3785 -2.2985 -2.1523 -2.1032 -2.0221 -1.9657 -1.8121 -1.7633 -1.2975 -1.2813 -0.5885 -0.5768 -0.4725 -0.4581 0.1302 0.1337 1.4490 1.4682 1.6025 1.6244 2.0550 2.0638 2.5599 2.5640 2.8860 2.8969 3.3104 3.3238 3.3550 3.3588 6.6170 6.6218 7.5378 7.5400 7.8251 7.8290 8.3464 8.3566 k = 0.5000 0.4552 0.1702 ( 17488 PWs) bands (ev): -40.5764 -40.5764 -11.2971 -11.2969 -8.5719 -8.5691 -8.5040 -8.5038 -8.4157 -8.4130 -4.2495 -4.2433 -2.4847 -2.4554 -2.3780 -2.3037 -2.1476 -2.1010 -2.0205 -1.9680 -1.8087 -1.7632 -1.2776 -1.2639 -0.5805 -0.5696 -0.4822 -0.4693 0.1267 0.1298 1.4741 1.4964 1.5986 1.6227 2.0541 2.0618 2.5150 2.5191 2.8958 2.9061 3.3114 3.3241 3.3490 3.3529 6.6022 6.6066 7.5407 7.5426 7.7889 7.7925 8.3156 8.3248 k = 0.5000 0.4552 0.1513 ( 17474 PWs) bands (ev): -40.5764 -40.5764 -11.2975 -11.2973 -8.5641 -8.5613 -8.5024 -8.5022 -8.4252 -8.4225 -4.2543 -4.2487 -2.4807 -2.4527 -2.3771 -2.3091 -2.1430 -2.0996 -2.0186 -1.9705 -1.8054 -1.7637 -1.2593 -1.2478 -0.5729 -0.5629 -0.4915 -0.4800 0.1245 0.1272 1.4904 1.5124 1.6107 1.6339 2.0532 2.0599 2.4669 2.4712 2.9054 2.9150 3.3120 3.3238 3.3446 3.3482 6.5892 6.5932 7.5460 7.5477 7.7551 7.7584 8.2827 8.2908 k = 0.5000 0.4552 0.1324 ( 17476 PWs) bands (ev): -40.5764 -40.5764 -11.2979 -11.2977 -8.5563 -8.5534 -8.5008 -8.5006 -8.4347 -8.4319 -4.2586 -4.2537 -2.4768 -2.4506 -2.3758 -2.3146 -2.1385 -2.0989 -2.0165 -1.9732 -1.8022 -1.7647 -1.2426 -1.2331 -0.5657 -0.5569 -0.5001 -0.4901 0.1233 0.1255 1.4956 1.5130 1.6417 1.6601 2.0523 2.0580 2.4162 2.4206 2.9146 2.9233 3.3123 3.3229 3.3414 3.3447 6.5779 6.5816 7.5536 7.5551 7.7242 7.7272 8.2484 8.2554 k = 0.5000 0.4552 0.1135 ( 17476 PWs) bands (ev): -40.5764 -40.5764 -11.2982 -11.2980 -8.5484 -8.5454 -8.4994 -8.4992 -8.4441 -8.4413 -4.2625 -4.2583 -2.4730 -2.4492 -2.3739 -2.3202 -2.1341 -2.0990 -2.0141 -1.9761 -1.7991 -1.7662 -1.2278 -1.2201 -0.5591 -0.5518 -0.5077 -0.4993 0.1228 0.1247 1.4932 1.5060 1.6841 1.6979 2.0514 2.0561 2.3632 2.3678 2.9232 2.9309 3.3124 3.3216 3.3394 3.3420 6.5684 6.5716 7.5632 7.5645 7.6967 7.6993 8.2137 8.2196 k = 0.5000 0.4552 0.0946 ( 17486 PWs) bands (ev): -40.5764 -40.5764 -11.2984 -11.2983 -8.5403 -8.5373 -8.4982 -8.4980 -8.4534 -8.4505 -4.2658 -4.2623 -2.4693 -2.4484 -2.3716 -2.3258 -2.1297 -2.0996 -2.0114 -1.9792 -1.7960 -1.7681 -1.2150 -1.2089 -0.5533 -0.5478 -0.5139 -0.5072 0.1227 0.1243 1.4875 1.4969 1.7323 1.7431 2.0507 2.0544 2.3084 2.3132 2.9309 2.9375 3.3125 3.3201 3.3380 3.3400 6.5606 6.5633 7.5743 7.5754 7.6728 7.6750 8.1799 8.1847 k = 0.5000 0.4552 0.0756 ( 17482 PWs) bands (ev): -40.5764 -40.5764 -11.2986 -11.2985 -8.5322 -8.5291 -8.4972 -8.4969 -8.4625 -8.4597 -4.2686 -4.2657 -2.4657 -2.4483 -2.3687 -2.3313 -2.1255 -2.1009 -2.0086 -1.9823 -1.7929 -1.7703 -1.2043 -1.1996 -0.5486 -0.5451 -0.5186 -0.5135 0.1230 0.1242 1.4811 1.4879 1.7840 1.7928 2.0500 2.0527 2.2521 2.2572 2.9377 2.9431 3.3126 3.3186 3.3371 3.3386 6.5543 6.5565 7.5861 7.5871 7.6530 7.6548 8.1484 8.1522 k = 0.5000 0.4552 0.0567 ( 17488 PWs) bands (ev): -40.5764 -40.5764 -11.2988 -11.2987 -8.5240 -8.5209 -8.4964 -8.4961 -8.4716 -8.4687 -4.2707 -4.2685 -2.4623 -2.4488 -2.3652 -2.3368 -2.1215 -2.1027 -2.0056 -1.9856 -1.7899 -1.7727 -1.1958 -1.1924 -0.5455 -0.5436 -0.5217 -0.5178 0.1233 0.1243 1.4753 1.4802 1.8379 1.8453 2.0495 2.0510 2.1951 2.2006 2.9433 2.9475 3.3127 3.3172 3.3366 3.3375 6.5496 6.5512 7.5975 7.5984 7.6375 7.6388 8.1210 8.1239 k = 0.5000 0.4552 0.0378 ( 17488 PWs) bands (ev): -40.5764 -40.5764 -11.2989 -11.2989 -8.5157 -8.5125 -8.4959 -8.4954 -8.4804 -8.4776 -4.2721 -4.2706 -2.4591 -2.4499 -2.3613 -2.3422 -2.1177 -2.1050 -2.0024 -1.9890 -1.7868 -1.7753 -1.1895 -1.1873 -0.5441 -0.5431 -0.5231 -0.5203 0.1237 0.1243 1.4710 1.4741 1.8930 1.8993 2.0487 2.0493 2.1385 2.1445 2.9476 2.9504 3.3130 3.3160 3.3362 3.3368 6.5463 6.5474 7.6070 7.6077 7.6266 7.6274 8.0997 8.1015 k = 0.5000 0.4552 0.0189 ( 17484 PWs) bands (ev): -40.5764 -40.5764 -11.2990 -11.2990 -8.5074 -8.5041 -8.4958 -8.4949 -8.4888 -8.4864 -4.2728 -4.2721 -2.4562 -2.4516 -2.3570 -2.3474 -2.1141 -2.1077 -1.9991 -1.9924 -1.7839 -1.7781 -1.1856 -1.1845 -0.5438 -0.5431 -0.5231 -0.5216 0.1241 0.1244 1.4686 1.4701 1.9472 1.9520 2.0446 2.0462 2.0866 2.0928 2.9506 2.9520 3.3135 3.3149 3.3361 3.3363 6.5445 6.5451 7.6123 7.6129 7.6211 7.6216 8.0861 8.0870 k = 0.5000 0.4552 0.0000 ( 17520 PWs) bands (ev): -40.5764 -40.5764 -11.2990 -11.2990 -8.4998 -8.4998 -8.4951 -8.4951 -8.4939 -8.4939 -4.2728 -4.2728 -2.4537 -2.4537 -2.3523 -2.3523 -2.1107 -2.1107 -1.9958 -1.9958 -1.7809 -1.7809 -1.1839 -1.1839 -0.5435 -0.5435 -0.5225 -0.5225 0.1243 0.1243 1.4682 1.4682 1.9846 1.9846 2.0331 2.0331 2.0664 2.0664 2.9520 2.9520 3.3141 3.3141 3.3361 3.3361 6.5441 6.5441 7.6133 7.6133 7.6207 7.6207 8.0817 8.0817 k = 0.0000 0.0000 0.7427 ( 17476 PWs) bands (ev): -40.5764 -40.5764 -11.2880 -11.2880 -8.7196 -8.7196 -8.5223 -8.5223 -8.2054 -8.2054 -4.1627 -4.1627 -2.5554 -2.5554 -2.3627 -2.3627 -2.1550 -2.1550 -2.1041 -2.1041 -1.9324 -1.9324 -1.7379 -1.7379 -0.7365 -0.7365 -0.3557 -0.3557 0.7790 0.7790 1.5179 1.5179 1.6891 1.6891 2.0542 2.0542 2.5152 2.5152 3.0182 3.0182 3.1290 3.1290 3.8176 3.8176 6.9735 6.9735 7.5649 7.5649 7.5765 7.5765 8.3335 8.3335 k = 0.0139 0.0126 0.7427 ( 17474 PWs) bands (ev): -40.5764 -40.5764 -11.2880 -11.2880 -8.7196 -8.7194 -8.5225 -8.5223 -8.2055 -8.2054 -4.1629 -4.1624 -2.5579 -2.5526 -2.3661 -2.3592 -2.1600 -2.1498 -2.1053 -2.1029 -1.9366 -1.9277 -1.7381 -1.7370 -0.7378 -0.7371 -0.3594 -0.3568 0.7805 0.7823 1.5168 1.5185 1.6899 1.6908 2.0542 2.0549 2.5142 2.5143 3.0179 3.0183 3.1295 3.1298 3.8157 3.8167 6.9728 6.9733 7.5644 7.5646 7.5772 7.5778 8.3338 8.3343 k = 0.0278 0.0253 0.7427 ( 17466 PWs) bands (ev): -40.5764 -40.5764 -11.2880 -11.2880 -8.7195 -8.7190 -8.5230 -8.5224 -8.2056 -8.2054 -4.1630 -4.1619 -2.5599 -2.5494 -2.3695 -2.3557 -2.1646 -2.1447 -2.1062 -2.1019 -1.9404 -1.9226 -1.7376 -1.7354 -0.7410 -0.7395 -0.3677 -0.3626 0.7869 0.7904 1.5151 1.5185 1.6935 1.6953 2.0551 2.0565 2.5114 2.5115 3.0175 3.0182 3.1311 3.1318 3.8112 3.8131 6.9713 6.9723 7.5631 7.5633 7.5799 7.5813 8.3351 8.3361 k = 0.0417 0.0379 0.7427 ( 17446 PWs) bands (ev): -40.5764 -40.5764 -11.2880 -11.2879 -8.7192 -8.7184 -8.5236 -8.5228 -8.2057 -8.2054 -4.1629 -4.1613 -2.5615 -2.5458 -2.3727 -2.3521 -2.1686 -2.1402 -2.1061 -2.1013 -1.9440 -1.9171 -1.7365 -1.7331 -0.7460 -0.7438 -0.3802 -0.3726 0.7978 0.8030 1.5128 1.5180 1.6995 1.7022 2.0568 2.0588 2.5067 2.5069 3.0169 3.0179 3.1339 3.1351 3.8041 3.8069 6.9691 6.9705 7.5606 7.5608 7.5850 7.5873 8.3373 8.3389 k = 0.0556 0.0506 0.7427 ( 17434 PWs) bands (ev): -40.5764 -40.5764 -11.2880 -11.2879 -8.7187 -8.7177 -8.5244 -8.5233 -8.2058 -8.2054 -4.1627 -4.1606 -2.5628 -2.5419 -2.3759 -2.3484 -2.1719 -2.1373 -2.1043 -2.1011 -1.9472 -1.9112 -1.7347 -1.7301 -0.7527 -0.7497 -0.3965 -0.3865 0.8126 0.8195 1.5099 1.5169 1.7078 1.7115 2.0594 2.0621 2.5001 2.5004 3.0162 3.0175 3.1380 3.1395 3.7945 3.7982 6.9662 6.9681 7.5570 7.5570 7.5922 7.5956 8.3405 8.3426 k = 0.0694 0.0632 0.7427 ( 17458 PWs) bands (ev): -40.5764 -40.5764 -11.2880 -11.2879 -8.7181 -8.7169 -8.5253 -8.5240 -8.2060 -8.2055 -4.1623 -4.1597 -2.5637 -2.5377 -2.3791 -2.3447 -2.1746 -2.1364 -2.1014 -2.1002 -1.9502 -1.9049 -1.7324 -1.7265 -0.7608 -0.7570 -0.4158 -0.4036 0.8308 0.8393 1.5065 1.5152 1.7182 1.7228 2.0630 2.0664 2.4918 2.4921 3.0153 3.0169 3.1432 3.1451 3.7826 3.7872 6.9627 6.9650 7.5521 7.5523 7.6015 7.6058 8.3445 8.3472 k = 0.0833 0.0759 0.7427 ( 17456 PWs) bands (ev): -40.5764 -40.5764 -11.2881 -11.2879 -8.7174 -8.7160 -8.5264 -8.5249 -8.2061 -8.2055 -4.1619 -4.1588 -2.5643 -2.5333 -2.3821 -2.3410 -2.1766 -2.1373 -2.1021 -2.0941 -1.9531 -1.8983 -1.7295 -1.7224 -0.7701 -0.7656 -0.4376 -0.4232 0.8517 0.8618 1.5024 1.5130 1.7302 1.7358 2.0676 2.0717 2.4816 2.4821 3.0143 3.0162 3.1495 3.1519 3.7685 3.7741 6.9588 6.9616 7.5463 7.5466 7.6125 7.6178 8.3493 8.3525 k = 0.0972 0.0885 0.7427 ( 17458 PWs) bands (ev): -40.5764 -40.5764 -11.2881 -11.2878 -8.7166 -8.7149 -8.5276 -8.5258 -8.2063 -8.2056 -4.1614 -4.1578 -2.5646 -2.5288 -2.3851 -2.3373 -2.1779 -2.1395 -2.1033 -2.0866 -1.9559 -1.8915 -1.7263 -1.7178 -0.7804 -0.7752 -0.4610 -0.4446 0.8744 0.8862 1.4978 1.5103 1.7436 1.7501 2.0735 2.0782 2.4697 2.4703 3.0133 3.0155 3.1569 3.1598 3.7526 3.7593 6.9546 6.9578 7.5397 7.5401 7.6249 7.6312 8.3546 8.3584 k = 0.1111 0.1011 0.7427 ( 17452 PWs) bands (ev): -40.5764 -40.5764 -11.2881 -11.2878 -8.7157 -8.7138 -8.5289 -8.5269 -8.2065 -8.2057 -4.1608 -4.1568 -2.5647 -2.5242 -2.3880 -2.3335 -2.1786 -2.1422 -2.1048 -2.0782 -1.9586 -1.8846 -1.7227 -1.7127 -0.7913 -0.7853 -0.4854 -0.4669 0.8984 0.9118 1.4926 1.5071 1.7577 1.7652 2.0808 2.0860 2.4561 2.4569 3.0122 3.0146 3.1652 3.1688 3.7352 3.7429 6.9503 6.9539 7.5326 7.5331 7.6383 7.6455 8.3604 8.3648 k = 0.1250 0.1138 0.7427 ( 17464 PWs) bands (ev): -40.5764 -40.5764 -11.2880 -11.2878 -8.7148 -8.7126 -8.5302 -8.5279 -8.2067 -8.2058 -4.1602 -4.1558 -2.5646 -2.5197 -2.3907 -2.3299 -2.1786 -2.1453 -2.1068 -2.0694 -1.9613 -1.8777 -1.7188 -1.7074 -0.8026 -0.7959 -0.5099 -0.4896 0.9229 0.9380 1.4869 1.5035 1.7723 1.7806 2.0896 2.0954 2.4408 2.4419 3.0110 3.0137 3.1745 3.1787 3.7166 3.7254 6.9460 6.9499 7.5250 7.5257 7.6524 7.6605 8.3664 8.3714 k = 0.1389 0.1264 0.7427 ( 17468 PWs) bands (ev): -40.5764 -40.5764 -11.2880 -11.2878 -8.7138 -8.7115 -8.5315 -8.5291 -8.2068 -8.2059 -4.1595 -4.1548 -2.5644 -2.5153 -2.3933 -2.3263 -2.1781 -2.1485 -2.1090 -2.0604 -1.9642 -1.8709 -1.7149 -1.7020 -0.8138 -0.8064 -0.5340 -0.5120 0.9471 0.9640 1.4809 1.4995 1.7866 1.7958 2.1001 2.1063 2.4240 2.4253 3.0099 3.0128 3.1844 3.1894 3.6973 3.7072 6.9418 6.9461 7.5174 7.5181 7.6666 7.6757 8.3725 8.3781 k = 0.1528 0.1391 0.7427 ( 17452 PWs) bands (ev): -40.5764 -40.5764 -11.2880 -11.2877 -8.7129 -8.7103 -8.5328 -8.5301 -8.2070 -8.2060 -4.1589 -4.1538 -2.5641 -2.5110 -2.3957 -2.3230 -2.1771 -2.1517 -2.1115 -2.0514 -1.9671 -1.8645 -1.7110 -1.6966 -0.8247 -0.8166 -0.5570 -0.5333 0.9705 0.9891 1.4745 1.4953 1.8003 1.8102 2.1125 2.1190 2.4058 2.4074 3.0088 3.0119 3.1948 3.2006 3.6777 3.6887 6.9379 6.9425 7.5098 7.5107 7.6807 7.6906 8.3784 8.3845 k = 0.1667 0.1517 0.7427 ( 17448 PWs) bands (ev): -40.5764 -40.5764 -11.2880 -11.2877 -8.7119 -8.7093 -8.5341 -8.5312 -8.2072 -8.2061 -4.1583 -4.1529 -2.5637 -2.5071 -2.3979 -2.3198 -2.1757 -2.1546 -2.1141 -2.0425 -1.9703 -1.8585 -1.7072 -1.6914 -0.8349 -0.8263 -0.5782 -0.5531 0.9923 1.0129 1.4680 1.4910 1.8129 1.8234 2.1269 2.1335 2.3862 2.3882 3.0077 3.0110 3.2054 3.2121 3.6584 3.6706 6.9344 6.9392 7.5026 7.5036 7.6940 7.7048 8.3839 8.3906 k = 0.1806 0.1644 0.7427 ( 17486 PWs) bands (ev): -40.5764 -40.5764 -11.2880 -11.2877 -8.7111 -8.7083 -8.5352 -8.5321 -8.2073 -8.2062 -4.1578 -4.1521 -2.5634 -2.5036 -2.3999 -2.3170 -2.1741 -2.1574 -2.1168 -2.0339 -1.9737 -1.8531 -1.7036 -1.6865 -0.8442 -0.8350 -0.5973 -0.5707 1.0121 1.0345 1.4616 1.4868 1.8241 1.8350 2.1432 2.1498 2.3655 2.3678 3.0068 3.0102 3.2158 3.2234 3.6400 3.6534 6.9312 6.9363 7.4960 7.4970 7.7063 7.7179 8.3889 8.3960 k = 0.1944 0.1770 0.7427 ( 17488 PWs) bands (ev): -40.5764 -40.5764 -11.2880 -11.2877 -8.7104 -8.7074 -8.5361 -8.5330 -8.2074 -8.2063 -4.1573 -4.1514 -2.5631 -2.5006 -2.4016 -2.3146 -2.1723 -2.1597 -2.1194 -2.0257 -1.9774 -1.8484 -1.7005 -1.6823 -0.8521 -0.8425 -0.6135 -0.5859 1.0293 1.0535 1.4556 1.4829 1.8335 1.8447 2.1613 2.1678 2.3439 2.3466 3.0060 3.0096 3.2255 3.2341 3.6232 3.6379 6.9286 6.9338 7.4902 7.4913 7.7170 7.7292 8.3931 8.4006 k = 0.2083 0.1897 0.7427 ( 17480 PWs) bands (ev): -40.5764 -40.5764 -11.2880 -11.2877 -8.7098 -8.7067 -8.5369 -8.5337 -8.2075 -8.2064 -4.1569 -4.1509 -2.5628 -2.4981 -2.4030 -2.3126 -2.1705 -2.1617 -2.1218 -2.0180 -1.9815 -1.8446 -1.6979 -1.6787 -0.8586 -0.8486 -0.6267 -0.5981 1.0433 1.0691 1.4504 1.4795 1.8409 1.8523 2.1810 2.1871 2.3216 2.3247 3.0054 3.0090 3.2340 3.2436 3.6088 3.6246 6.9265 6.9319 7.4855 7.4867 7.7258 7.7386 8.3964 8.4043 k = 0.2222 0.2023 0.7427 ( 17482 PWs) bands (ev): -40.5764 -40.5764 -11.2880 -11.2876 -8.7094 -8.7062 -8.5375 -8.5342 -8.2076 -8.2064 -4.1566 -4.1504 -2.5625 -2.4963 -2.4040 -2.3111 -2.1690 -2.1631 -2.1237 -2.0109 -1.9859 -1.8418 -1.6960 -1.6761 -0.8634 -0.8531 -0.6363 -0.6070 1.0536 1.0808 1.4463 1.4768 1.8462 1.8578 2.2017 2.2074 2.2990 2.3027 3.0049 3.0086 3.2407 3.2511 3.5977 3.6144 6.9250 6.9305 7.4820 7.4832 7.7323 7.7455 8.3989 8.4070 k = 0.2361 0.2149 0.7427 ( 17472 PWs) bands (ev): -40.5764 -40.5764 -11.2880 -11.2876 -8.7091 -8.7059 -8.5379 -8.5345 -8.2076 -8.2064 -4.1564 -4.1502 -2.5624 -2.4952 -2.4047 -2.3102 -2.1680 -2.1640 -2.1250 -2.0046 -1.9905 -1.8401 -1.6948 -1.6744 -0.8664 -0.8559 -0.6422 -0.6125 1.0600 1.0880 1.4436 1.4751 1.8495 1.8611 2.2223 2.2275 2.2774 2.2816 3.0046 3.0083 3.2449 3.2559 3.5906 3.6080 6.9241 6.9296 7.4798 7.4811 7.7364 7.7498 8.4004 8.4086 k = 0.2500 0.2276 0.7427 ( 17480 PWs) bands (ev): -40.5764 -40.5764 -11.2880 -11.2876 -8.7090 -8.7058 -8.5380 -8.5346 -8.2076 -8.2064 -4.1564 -4.1501 -2.5623 -2.4948 -2.4049 -2.3099 -2.1677 -2.1643 -2.1254 -2.0011 -1.9935 -1.8395 -1.6944 -1.6739 -0.8673 -0.8568 -0.6442 -0.6143 1.0621 1.0905 1.4427 1.4746 1.8506 1.8622 2.2350 2.2399 2.2643 2.2688 3.0045 3.0083 3.2464 3.2576 3.5882 3.6058 6.9237 6.9293 7.4791 7.4803 7.7377 7.7512 8.4008 8.4092 Writing output data file LiZnPS4.save init_run : 1.96s CPU 1.15s WALL ( 1 calls) electrons : 613.88s CPU 461.61s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.14s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 613.87s CPU 461.59s WALL ( 1 calls) v_of_rho : 0.03s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.66s CPU 0.38s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.75s CPU 0.78s WALL ( 290 calls) cegterg : 489.76s CPU 389.45s WALL ( 323 calls) Called by sum_band: Called by *egterg: h_psi : 454.57s CPU 314.96s WALL ( 6004 calls) s_psi : 19.70s CPU 16.54s WALL ( 6004 calls) g_psi : 0.88s CPU 0.85s WALL ( 5391 calls) cdiaghg : 57.42s CPU 56.13s WALL ( 5681 calls) cegterg:over : 18.69s CPU 18.77s WALL ( 5391 calls) cegterg:upda : 21.41s CPU 21.60s WALL ( 5391 calls) cegterg:last : 8.39s CPU 8.44s WALL ( 968 calls) cdiaghg:chol : 3.29s CPU 3.25s WALL ( 5681 calls) cdiaghg:inve : 2.21s CPU 2.16s WALL ( 5681 calls) cdiaghg:para : 3.66s CPU 3.56s WALL ( 11362 calls) Called by h_psi: h_psi:vloc : 412.77s CPU 279.44s WALL ( 6004 calls) h_psi:vnl : 40.72s CPU 34.57s WALL ( 6004 calls) add_vuspsi : 21.24s CPU 17.83s WALL ( 6004 calls) General routines calbec : 19.42s CPU 16.72s WALL ( 6004 calls) fft : 0.04s CPU 0.02s WALL ( 15 calls) fftw : 394.04s CPU 263.43s WALL ( 687776 calls) davcio : 0.68s CPU 4.13s WALL ( 580 calls) Parallel routines fft_scatter : 104.97s CPU 87.32s WALL ( 687791 calls) PWSCF : 11m14.92s CPU 9m24.83s WALL This run was terminated on: 4:34: 0 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=