Program PWSCF v.5.3.0 (svn rev. 11974) starts on 1Feb2017 at 8:59: 9 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./Rb2TeSe4.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized file Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 48 26 7 1481 575 89 Max 49 27 8 1486 598 91 Sum 3481 1877 545 106741 42403 6463 bravais-lattice index = 14 lattice parameter (alat) = 13.2338 a.u. unit-cell volume = 1516.5728 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 35.0000 Ry charge density cutoff = 259.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.233838 celldm(2)= 1.000000 celldm(3)= 0.750102 celldm(4)= 0.343630 celldm(5)= 0.343630 celldm(6)= 0.247715 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.247715 0.968833 0.000000 ) a(3) = ( 0.257757 0.200145 0.675394 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.255684 -0.305871 ) b(2) = ( 0.000000 1.032170 -0.305871 ) b(3) = ( 0.000000 0.000000 1.480618 ) PseudoPot. # 1 for Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d 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 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Rb read from file: /users/gautes/Pseudo/Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 948b8f0a9070089a35782939cf30e963 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1219 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 Se 6.00 78.96000 Se( 1.00) Te 6.00 127.60000 Te( 1.00) Rb 9.00 85.46780 Rb( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 236 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042373 k( 2) = ( 0.0156250 0.0121326 -0.0095585), wk = 0.0042373 k( 3) = ( 0.0312500 0.0242652 -0.0191170), wk = 0.0042373 k( 4) = ( 0.0468750 0.0363978 -0.0286754), wk = 0.0042373 k( 5) = ( 0.0625000 0.0485304 -0.0382339), wk = 0.0042373 k( 6) = ( 0.0781250 0.0606629 -0.0477924), wk = 0.0042373 k( 7) = ( 0.0937500 0.0727955 -0.0573509), wk = 0.0042373 k( 8) = ( 0.1093750 0.0849281 -0.0669093), wk = 0.0042373 k( 9) = ( 0.1250000 0.0970607 -0.0764678), wk = 0.0042373 k( 10) = ( 0.1406250 0.1091933 -0.0860263), wk = 0.0042373 k( 11) = ( 0.1562500 0.1213259 -0.0955848), wk = 0.0042373 k( 12) = ( 0.1718750 0.1334585 -0.1051432), wk = 0.0042373 k( 13) = ( 0.1875000 0.1455911 -0.1147017), wk = 0.0042373 k( 14) = ( 0.2031250 0.1577237 -0.1242602), wk = 0.0042373 k( 15) = ( 0.2187500 0.1698563 -0.1338187), wk = 0.0042373 k( 16) = ( 0.2343750 0.1819888 -0.1433772), wk = 0.0042373 k( 17) = ( 0.2500000 0.1941214 -0.1529356), wk = 0.0042373 k( 18) = ( 0.2656250 0.2062540 -0.1624941), wk = 0.0042373 k( 19) = ( 0.2812500 0.2183866 -0.1720526), wk = 0.0042373 k( 20) = ( 0.2968750 0.2305192 -0.1816111), wk = 0.0042373 k( 21) = ( 0.3125000 0.2426518 -0.1911695), wk = 0.0042373 k( 22) = ( 0.3281250 0.2547844 -0.2007280), wk = 0.0042373 k( 23) = ( 0.3437500 0.2669170 -0.2102865), wk = 0.0042373 k( 24) = ( 0.3593750 0.2790496 -0.2198450), wk = 0.0042373 k( 25) = ( 0.3750000 0.2911821 -0.2294034), wk = 0.0042373 k( 26) = ( 0.3906250 0.3033147 -0.2389619), wk = 0.0042373 k( 27) = ( 0.4062500 0.3154473 -0.2485204), wk = 0.0042373 k( 28) = ( 0.4218750 0.3275799 -0.2580789), wk = 0.0042373 k( 29) = ( 0.4375000 0.3397125 -0.2676374), wk = 0.0042373 k( 30) = ( 0.4531250 0.3518451 -0.2771958), wk = 0.0042373 k( 31) = ( 0.4687500 0.3639777 -0.2867543), wk = 0.0042373 k( 32) = ( 0.4843750 0.3761103 -0.2963128), wk = 0.0042373 k( 33) = ( 0.5000000 0.3882429 -0.3058713), wk = 0.0042373 k( 34) = ( 0.5000000 0.3882429 -0.3058713), wk = 0.0042373 k( 35) = ( 0.5075363 0.3940947 -0.2861241), wk = 0.0042373 k( 36) = ( 0.5150726 0.3999465 -0.2663769), wk = 0.0042373 k( 37) = ( 0.5226089 0.4057984 -0.2466297), wk = 0.0042373 k( 38) = ( 0.5301453 0.4116502 -0.2268826), wk = 0.0042373 k( 39) = ( 0.5376816 0.4175021 -0.2071354), wk = 0.0042373 k( 40) = ( 0.5452179 0.4233539 -0.1873882), wk = 0.0042373 k( 41) = ( 0.5527542 0.4292058 -0.1676410), wk = 0.0042373 k( 42) = ( 0.5602905 0.4350576 -0.1478939), wk = 0.0042373 k( 43) = ( 0.5678268 0.4409094 -0.1281467), wk = 0.0042373 k( 44) = ( 0.5753632 0.4467613 -0.1083995), wk = 0.0042373 k( 45) = ( 0.5828995 0.4526131 -0.0886523), wk = 0.0042373 k( 46) = ( 0.5904358 0.4584650 -0.0689052), wk = 0.0042373 k( 47) = ( 0.5979721 0.4643168 -0.0491580), wk = 0.0042373 k( 48) = ( 0.6055084 0.4701686 -0.0294108), wk = 0.0042373 k( 49) = ( 0.6130447 0.4760205 -0.0096636), wk = 0.0042373 k( 50) = ( 0.6205810 0.4818723 0.0100835), wk = 0.0042373 k( 51) = ( 0.6281174 0.4877242 0.0298307), wk = 0.0042373 k( 52) = ( 0.6356537 0.4935760 0.0495779), wk = 0.0042373 k( 53) = ( 0.6431900 0.4994278 0.0693251), wk = 0.0042373 k( 54) = ( 0.6507263 0.5052797 0.0890722), wk = 0.0042373 k( 55) = ( 0.6582626 0.5111315 0.1088194), wk = 0.0042373 k( 56) = ( 0.6657989 0.5169834 0.1285666), wk = 0.0042373 k( 57) = ( 0.6657989 0.5169834 0.1285666), wk = 0.0042373 k( 58) = ( 0.6560461 0.5094104 0.1465590), wk = 0.0042373 k( 59) = ( 0.6462932 0.5018374 0.1645514), wk = 0.0042373 k( 60) = ( 0.6365403 0.4942645 0.1825439), wk = 0.0042373 k( 61) = ( 0.6267874 0.4866915 0.2005363), wk = 0.0042373 k( 62) = ( 0.6170345 0.4791185 0.2185287), wk = 0.0042373 k( 63) = ( 0.6072817 0.4715455 0.2365212), wk = 0.0042373 k( 64) = ( 0.5975288 0.4639726 0.2545136), wk = 0.0042373 k( 65) = ( 0.5877759 0.4563996 0.2725060), wk = 0.0042373 k( 66) = ( 0.5780230 0.4488266 0.2904984), wk = 0.0042373 k( 67) = ( 0.5682702 0.4412537 0.3084909), wk = 0.0042373 k( 68) = ( 0.5585173 0.4336807 0.3264833), wk = 0.0042373 k( 69) = ( 0.5487644 0.4261077 0.3444757), wk = 0.0042373 k( 70) = ( 0.5390115 0.4185347 0.3624681), wk = 0.0042373 k( 71) = ( 0.5292586 0.4109618 0.3804606), wk = 0.0042373 k( 72) = ( 0.5195058 0.4033888 0.3984530), wk = 0.0042373 k( 73) = ( 0.5097529 0.3958158 0.4164454), wk = 0.0042373 k( 74) = ( 0.5000000 0.3882429 0.4344379), wk = 0.0042373 k( 75) = ( 0.5000000 0.3882429 0.4344379), wk = 0.0042373 k( 76) = ( 0.5130235 0.3714705 0.4344379), wk = 0.0042373 k( 77) = ( 0.5260471 0.3546981 0.4344379), wk = 0.0042373 k( 78) = ( 0.5390706 0.3379257 0.4344379), wk = 0.0042373 k( 79) = ( 0.5520941 0.3211533 0.4344379), wk = 0.0042373 k( 80) = ( 0.5651176 0.3043809 0.4344379), wk = 0.0042373 k( 81) = ( 0.5781412 0.2876085 0.4344379), wk = 0.0042373 k( 82) = ( 0.5911647 0.2708361 0.4344379), wk = 0.0042373 k( 83) = ( 0.6041882 0.2540637 0.4344379), wk = 0.0042373 k( 84) = ( 0.6172117 0.2372913 0.4344379), wk = 0.0042373 k( 85) = ( 0.6302353 0.2205189 0.4344379), wk = 0.0042373 k( 86) = ( 0.6432588 0.2037465 0.4344379), wk = 0.0042373 k( 87) = ( 0.6562823 0.1869741 0.4344379), wk = 0.0042373 k( 88) = ( 0.6693059 0.1702017 0.4344379), wk = 0.0042373 k( 89) = ( 0.6823294 0.1534293 0.4344379), wk = 0.0042373 k( 90) = ( 0.6953529 0.1366569 0.4344379), wk = 0.0042373 k( 91) = ( 0.7083764 0.1198845 0.4344379), wk = 0.0042373 k( 92) = ( 0.7214000 0.1031121 0.4344379), wk = 0.0042373 k( 93) = ( 0.7344235 0.0863397 0.4344379), wk = 0.0042373 k( 94) = ( 0.2655765 -0.3420237 0.7403091), wk = 0.0042373 k( 95) = ( 0.2522977 -0.3249225 0.7403091), wk = 0.0042373 k( 96) = ( 0.2390189 -0.3078213 0.7403091), wk = 0.0042373 k( 97) = ( 0.2257400 -0.2907201 0.7403091), wk = 0.0042373 k( 98) = ( 0.2124612 -0.2736189 0.7403091), wk = 0.0042373 k( 99) = ( 0.1991824 -0.2565178 0.7403091), wk = 0.0042373 k( 100) = ( 0.1859036 -0.2394166 0.7403091), wk = 0.0042373 k( 101) = ( 0.1726247 -0.2223154 0.7403091), wk = 0.0042373 k( 102) = ( 0.1593459 -0.2052142 0.7403091), wk = 0.0042373 k( 103) = ( 0.1460671 -0.1881130 0.7403091), wk = 0.0042373 k( 104) = ( 0.1327882 -0.1710118 0.7403091), wk = 0.0042373 k( 105) = ( 0.1195094 -0.1539107 0.7403091), wk = 0.0042373 k( 106) = ( 0.1062306 -0.1368095 0.7403091), wk = 0.0042373 k( 107) = ( 0.0929518 -0.1197083 0.7403091), wk = 0.0042373 k( 108) = ( 0.0796730 -0.1026071 0.7403091), wk = 0.0042373 k( 109) = ( 0.0663941 -0.0855059 0.7403091), wk = 0.0042373 k( 110) = ( 0.0531153 -0.0684047 0.7403091), wk = 0.0042373 k( 111) = ( 0.0398365 -0.0513036 0.7403091), wk = 0.0042373 k( 112) = ( 0.0265576 -0.0342024 0.7403091), wk = 0.0042373 k( 113) = ( 0.0132788 -0.0171012 0.7403091), wk = 0.0042373 k( 114) = ( 0.0000000 0.0000000 0.7403091), wk = 0.0042373 k( 115) = ( 0.0000000 0.0000000 0.7403091), wk = 0.0042373 k( 116) = ( 0.0175895 0.0136580 0.7403091), wk = 0.0042373 k( 117) = ( 0.0351791 0.0273160 0.7403091), wk = 0.0042373 k( 118) = ( 0.0527686 0.0409741 0.7403091), wk = 0.0042373 k( 119) = ( 0.0703581 0.0546321 0.7403091), wk = 0.0042373 k( 120) = ( 0.0879477 0.0682901 0.7403091), wk = 0.0042373 k( 121) = ( 0.1055372 0.0819481 0.7403091), wk = 0.0042373 k( 122) = ( 0.1231267 0.0956061 0.7403091), wk = 0.0042373 k( 123) = ( 0.1407162 0.1092642 0.7403091), wk = 0.0042373 k( 124) = ( 0.1583058 0.1229222 0.7403091), wk = 0.0042373 k( 125) = ( 0.1758953 0.1365802 0.7403091), wk = 0.0042373 k( 126) = ( 0.1934848 0.1502382 0.7403091), wk = 0.0042373 k( 127) = ( 0.2110743 0.1638962 0.7403091), wk = 0.0042373 k( 128) = ( 0.2286639 0.1775542 0.7403091), wk = 0.0042373 k( 129) = ( 0.2462534 0.1912123 0.7403091), wk = 0.0042373 k( 130) = ( 0.2638429 0.2048703 0.7403091), wk = 0.0042373 k( 131) = ( 0.2814325 0.2185283 0.7403091), wk = 0.0042373 k( 132) = ( 0.2990220 0.2321863 0.7403091), wk = 0.0042373 k( 133) = ( 0.3166115 0.2458443 0.7403091), wk = 0.0042373 k( 134) = ( 0.3342011 0.2595024 0.7403091), wk = 0.0042373 k( 135) = ( 0.5000000 0.3882429 -0.3058713), wk = 0.0042373 k( 136) = ( 0.5128153 0.3717386 -0.3058713), wk = 0.0042373 k( 137) = ( 0.5256306 0.3552343 -0.3058713), wk = 0.0042373 k( 138) = ( 0.5384460 0.3387301 -0.3058713), wk = 0.0042373 k( 139) = ( 0.5512613 0.3222258 -0.3058713), wk = 0.0042373 k( 140) = ( 0.5640766 0.3057215 -0.3058713), wk = 0.0042373 k( 141) = ( 0.4359234 -0.5614055 0.0000000), wk = 0.0042373 k( 142) = ( 0.4223008 -0.5438616 0.0000000), wk = 0.0042373 k( 143) = ( 0.4086782 -0.5263177 0.0000000), wk = 0.0042373 k( 144) = ( 0.3950555 -0.5087737 0.0000000), wk = 0.0042373 k( 145) = ( 0.3814329 -0.4912298 0.0000000), wk = 0.0042373 k( 146) = ( 0.3678103 -0.4736859 0.0000000), wk = 0.0042373 k( 147) = ( 0.3541877 -0.4561420 0.0000000), wk = 0.0042373 k( 148) = ( 0.3405651 -0.4385981 0.0000000), wk = 0.0042373 k( 149) = ( 0.3269425 -0.4210541 0.0000000), wk = 0.0042373 k( 150) = ( 0.3133199 -0.4035102 0.0000000), wk = 0.0042373 k( 151) = ( 0.2996973 -0.3859663 0.0000000), wk = 0.0042373 k( 152) = ( 0.2860747 -0.3684224 0.0000000), wk = 0.0042373 k( 153) = ( 0.2724521 -0.3508784 0.0000000), wk = 0.0042373 k( 154) = ( 0.2588295 -0.3333345 0.0000000), wk = 0.0042373 k( 155) = ( 0.2452069 -0.3157906 0.0000000), wk = 0.0042373 k( 156) = ( 0.2315843 -0.2982467 0.0000000), wk = 0.0042373 k( 157) = ( 0.2179617 -0.2807028 0.0000000), wk = 0.0042373 k( 158) = ( 0.2043391 -0.2631588 0.0000000), wk = 0.0042373 k( 159) = ( 0.1907165 -0.2456149 0.0000000), wk = 0.0042373 k( 160) = ( 0.1770939 -0.2280710 0.0000000), wk = 0.0042373 k( 161) = ( 0.1634713 -0.2105271 0.0000000), wk = 0.0042373 k( 162) = ( 0.1498487 -0.1929831 0.0000000), wk = 0.0042373 k( 163) = ( 0.1362260 -0.1754392 0.0000000), wk = 0.0042373 k( 164) = ( 0.1226035 -0.1578953 0.0000000), wk = 0.0042373 k( 165) = ( 0.1089808 -0.1403514 0.0000000), wk = 0.0042373 k( 166) = ( 0.0953582 -0.1228075 0.0000000), wk = 0.0042373 k( 167) = ( 0.0817356 -0.1052635 0.0000000), wk = 0.0042373 k( 168) = ( 0.0681130 -0.0877196 0.0000000), wk = 0.0042373 k( 169) = ( 0.0544904 -0.0701757 0.0000000), wk = 0.0042373 k( 170) = ( 0.0408678 -0.0526318 0.0000000), wk = 0.0042373 k( 171) = ( 0.0272452 -0.0350878 0.0000000), wk = 0.0042373 k( 172) = ( 0.0136226 -0.0175439 0.0000000), wk = 0.0042373 k( 173) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042373 k( 174) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042373 k( 175) = ( 0.0200000 -0.0051137 -0.0061174), wk = 0.0042373 k( 176) = ( 0.0400000 -0.0102274 -0.0122349), wk = 0.0042373 k( 177) = ( 0.0600000 -0.0153410 -0.0183523), wk = 0.0042373 k( 178) = ( 0.0800000 -0.0204547 -0.0244697), wk = 0.0042373 k( 179) = ( 0.1000000 -0.0255684 -0.0305871), wk = 0.0042373 k( 180) = ( 0.1200000 -0.0306821 -0.0367046), wk = 0.0042373 k( 181) = ( 0.1400000 -0.0357958 -0.0428220), wk = 0.0042373 k( 182) = ( 0.1600000 -0.0409094 -0.0489394), wk = 0.0042373 k( 183) = ( 0.1800000 -0.0460231 -0.0550568), wk = 0.0042373 k( 184) = ( 0.2000000 -0.0511368 -0.0611743), wk = 0.0042373 k( 185) = ( 0.2200000 -0.0562505 -0.0672917), wk = 0.0042373 k( 186) = ( 0.2400000 -0.0613642 -0.0734091), wk = 0.0042373 k( 187) = ( 0.2600000 -0.0664778 -0.0795265), wk = 0.0042373 k( 188) = ( 0.2800000 -0.0715915 -0.0856440), wk = 0.0042373 k( 189) = ( 0.3000000 -0.0767052 -0.0917614), wk = 0.0042373 k( 190) = ( 0.3200000 -0.0818189 -0.0978788), wk = 0.0042373 k( 191) = ( 0.3400000 -0.0869326 -0.1039962), wk = 0.0042373 k( 192) = ( 0.3600000 -0.0920462 -0.1101137), wk = 0.0042373 k( 193) = ( 0.3800000 -0.0971599 -0.1162311), wk = 0.0042373 k( 194) = ( 0.4000000 -0.1022736 -0.1223485), wk = 0.0042373 k( 195) = ( 0.4200000 -0.1073873 -0.1284659), wk = 0.0042373 k( 196) = ( 0.4400000 -0.1125010 -0.1345834), wk = 0.0042373 k( 197) = ( 0.4600000 -0.1176146 -0.1407008), wk = 0.0042373 k( 198) = ( 0.4800000 -0.1227283 -0.1468182), wk = 0.0042373 k( 199) = ( 0.5000000 -0.1278420 -0.1529356), wk = 0.0042373 k( 200) = ( 0.5000000 -0.1278420 0.5873735), wk = 0.0042373 k( 201) = ( 0.4861111 -0.1242908 0.5710576), wk = 0.0042373 k( 202) = ( 0.4722222 -0.1207397 0.5547416), wk = 0.0042373 k( 203) = ( 0.4583333 -0.1171885 0.5384257), wk = 0.0042373 k( 204) = ( 0.4444444 -0.1136373 0.5221098), wk = 0.0042373 k( 205) = ( 0.4305556 -0.1100862 0.5057938), wk = 0.0042373 k( 206) = ( 0.4166667 -0.1065350 0.4894779), wk = 0.0042373 k( 207) = ( 0.4027778 -0.1029838 0.4731620), wk = 0.0042373 k( 208) = ( 0.3888889 -0.0994327 0.4568460), wk = 0.0042373 k( 209) = ( 0.3750000 -0.0958815 0.4405301), wk = 0.0042373 k( 210) = ( 0.3611111 -0.0923303 0.4242142), wk = 0.0042373 k( 211) = ( 0.3472222 -0.0887792 0.4078982), wk = 0.0042373 k( 212) = ( 0.3333333 -0.0852280 0.3915823), wk = 0.0042373 k( 213) = ( 0.3194444 -0.0816768 0.3752664), wk = 0.0042373 k( 214) = ( 0.3055556 -0.0781257 0.3589505), wk = 0.0042373 k( 215) = ( 0.2916667 -0.0745745 0.3426345), wk = 0.0042373 k( 216) = ( 0.2777778 -0.0710233 0.3263186), wk = 0.0042373 k( 217) = ( 0.2638889 -0.0674722 0.3100027), wk = 0.0042373 k( 218) = ( 0.2500000 -0.0639210 0.2936867), wk = 0.0042373 k( 219) = ( 0.2361111 -0.0603698 0.2773708), wk = 0.0042373 k( 220) = ( 0.2222222 -0.0568187 0.2610549), wk = 0.0042373 k( 221) = ( 0.2083333 -0.0532675 0.2447389), wk = 0.0042373 k( 222) = ( 0.1944444 -0.0497163 0.2284230), wk = 0.0042373 k( 223) = ( 0.1805556 -0.0461652 0.2121071), wk = 0.0042373 k( 224) = ( 0.1666667 -0.0426140 0.1957912), wk = 0.0042373 k( 225) = ( 0.1527778 -0.0390628 0.1794752), wk = 0.0042373 k( 226) = ( 0.1388889 -0.0355117 0.1631593), wk = 0.0042373 k( 227) = ( 0.1250000 -0.0319605 0.1468434), wk = 0.0042373 k( 228) = ( 0.1111111 -0.0284093 0.1305274), wk = 0.0042373 k( 229) = ( 0.0972222 -0.0248582 0.1142115), wk = 0.0042373 k( 230) = ( 0.0833333 -0.0213070 0.0978956), wk = 0.0042373 k( 231) = ( 0.0694444 -0.0177558 0.0815796), wk = 0.0042373 k( 232) = ( 0.0555556 -0.0142047 0.0652637), wk = 0.0042373 k( 233) = ( 0.0416667 -0.0106535 0.0489478), wk = 0.0042373 k( 234) = ( 0.0277778 -0.0071023 0.0326319), wk = 0.0042373 k( 235) = ( 0.0138889 -0.0035512 0.0163159), wk = 0.0042373 k( 236) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042373 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042373 k( 2) = ( 0.0156250 0.0156250 -0.0000000), wk = 0.0042373 k( 3) = ( 0.0312500 0.0312500 -0.0000000), wk = 0.0042373 k( 4) = ( 0.0468750 0.0468750 -0.0000000), wk = 0.0042373 k( 5) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0042373 k( 6) = ( 0.0781250 0.0781250 -0.0000000), wk = 0.0042373 k( 7) = ( 0.0937500 0.0937500 -0.0000000), wk = 0.0042373 k( 8) = ( 0.1093750 0.1093750 -0.0000000), wk = 0.0042373 k( 9) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0042373 k( 10) = ( 0.1406250 0.1406250 -0.0000000), wk = 0.0042373 k( 11) = ( 0.1562500 0.1562500 -0.0000000), wk = 0.0042373 k( 12) = ( 0.1718750 0.1718750 -0.0000000), wk = 0.0042373 k( 13) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0042373 k( 14) = ( 0.2031250 0.2031250 -0.0000000), wk = 0.0042373 k( 15) = ( 0.2187500 0.2187500 -0.0000000), wk = 0.0042373 k( 16) = ( 0.2343750 0.2343750 -0.0000000), wk = 0.0042373 k( 17) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0042373 k( 18) = ( 0.2656250 0.2656250 -0.0000000), wk = 0.0042373 k( 19) = ( 0.2812500 0.2812500 -0.0000000), wk = 0.0042373 k( 20) = ( 0.2968750 0.2968750 -0.0000000), wk = 0.0042373 k( 21) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0042373 k( 22) = ( 0.3281250 0.3281250 -0.0000000), wk = 0.0042373 k( 23) = ( 0.3437500 0.3437500 -0.0000000), wk = 0.0042373 k( 24) = ( 0.3593750 0.3593750 -0.0000000), wk = 0.0042373 k( 25) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0042373 k( 26) = ( 0.3906250 0.3906250 -0.0000000), wk = 0.0042373 k( 27) = ( 0.4062500 0.4062500 -0.0000000), wk = 0.0042373 k( 28) = ( 0.4218750 0.4218750 -0.0000000), wk = 0.0042373 k( 29) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0042373 k( 30) = ( 0.4531250 0.4531250 -0.0000000), wk = 0.0042373 k( 31) = ( 0.4687500 0.4687500 -0.0000000), wk = 0.0042373 k( 32) = ( 0.4843750 0.4843750 -0.0000000), wk = 0.0042373 k( 33) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0042373 k( 34) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0042373 k( 35) = ( 0.5075363 0.5075363 0.0164509), wk = 0.0042373 k( 36) = ( 0.5150726 0.5150726 0.0329017), wk = 0.0042373 k( 37) = ( 0.5226089 0.5226089 0.0493526), wk = 0.0042373 k( 38) = ( 0.5301453 0.5301453 0.0658035), wk = 0.0042373 k( 39) = ( 0.5376816 0.5376816 0.0822544), wk = 0.0042373 k( 40) = ( 0.5452179 0.5452179 0.0987052), wk = 0.0042373 k( 41) = ( 0.5527542 0.5527542 0.1151561), wk = 0.0042373 k( 42) = ( 0.5602905 0.5602905 0.1316070), wk = 0.0042373 k( 43) = ( 0.5678268 0.5678268 0.1480578), wk = 0.0042373 k( 44) = ( 0.5753632 0.5753632 0.1645087), wk = 0.0042373 k( 45) = ( 0.5828995 0.5828995 0.1809596), wk = 0.0042373 k( 46) = ( 0.5904358 0.5904358 0.1974104), wk = 0.0042373 k( 47) = ( 0.5979721 0.5979721 0.2138613), wk = 0.0042373 k( 48) = ( 0.6055084 0.6055084 0.2303122), wk = 0.0042373 k( 49) = ( 0.6130447 0.6130447 0.2467631), wk = 0.0042373 k( 50) = ( 0.6205810 0.6205810 0.2632139), wk = 0.0042373 k( 51) = ( 0.6281174 0.6281174 0.2796648), wk = 0.0042373 k( 52) = ( 0.6356537 0.6356537 0.2961157), wk = 0.0042373 k( 53) = ( 0.6431900 0.6431900 0.3125665), wk = 0.0042373 k( 54) = ( 0.6507263 0.6507263 0.3290174), wk = 0.0042373 k( 55) = ( 0.6582626 0.6582626 0.3454683), wk = 0.0042373 k( 56) = ( 0.6657989 0.6657989 0.3619192), wk = 0.0042373 k( 57) = ( 0.6657989 0.6657989 0.3619192), wk = 0.0042373 k( 58) = ( 0.6560461 0.6560461 0.3700416), wk = 0.0042373 k( 59) = ( 0.6462932 0.6462932 0.3781640), wk = 0.0042373 k( 60) = ( 0.6365403 0.6365403 0.3862864), wk = 0.0042373 k( 61) = ( 0.6267874 0.6267874 0.3944088), wk = 0.0042373 k( 62) = ( 0.6170345 0.6170345 0.4025312), wk = 0.0042373 k( 63) = ( 0.6072817 0.6072817 0.4106536), wk = 0.0042373 k( 64) = ( 0.5975288 0.5975288 0.4187760), wk = 0.0042373 k( 65) = ( 0.5877759 0.5877759 0.4268984), wk = 0.0042373 k( 66) = ( 0.5780230 0.5780230 0.4350208), wk = 0.0042373 k( 67) = ( 0.5682702 0.5682702 0.4431432), wk = 0.0042373 k( 68) = ( 0.5585173 0.5585173 0.4512656), wk = 0.0042373 k( 69) = ( 0.5487644 0.5487644 0.4593880), wk = 0.0042373 k( 70) = ( 0.5390115 0.5390115 0.4675104), wk = 0.0042373 k( 71) = ( 0.5292586 0.5292586 0.4756328), wk = 0.0042373 k( 72) = ( 0.5195058 0.5195058 0.4837552), wk = 0.0042373 k( 73) = ( 0.5097529 0.5097529 0.4918776), wk = 0.0042373 k( 74) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0042373 k( 75) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0042373 k( 76) = ( 0.5130235 0.4869765 0.5000000), wk = 0.0042373 k( 77) = ( 0.5260471 0.4739529 0.5000000), wk = 0.0042373 k( 78) = ( 0.5390706 0.4609294 0.5000000), wk = 0.0042373 k( 79) = ( 0.5520941 0.4479059 0.5000000), wk = 0.0042373 k( 80) = ( 0.5651176 0.4348824 0.5000000), wk = 0.0042373 k( 81) = ( 0.5781412 0.4218588 0.5000000), wk = 0.0042373 k( 82) = ( 0.5911647 0.4088353 0.5000000), wk = 0.0042373 k( 83) = ( 0.6041882 0.3958118 0.5000000), wk = 0.0042373 k( 84) = ( 0.6172117 0.3827882 0.5000000), wk = 0.0042373 k( 85) = ( 0.6302353 0.3697647 0.5000000), wk = 0.0042373 k( 86) = ( 0.6432588 0.3567412 0.5000000), wk = 0.0042373 k( 87) = ( 0.6562823 0.3437177 0.5000000), wk = 0.0042373 k( 88) = ( 0.6693059 0.3306941 0.5000000), wk = 0.0042373 k( 89) = ( 0.6823294 0.3176706 0.5000000), wk = 0.0042373 k( 90) = ( 0.6953529 0.3046471 0.5000000), wk = 0.0042373 k( 91) = ( 0.7083764 0.2916236 0.5000000), wk = 0.0042373 k( 92) = ( 0.7214000 0.2786000 0.5000000), wk = 0.0042373 k( 93) = ( 0.7344235 0.2655765 0.5000000), wk = 0.0042373 k( 94) = ( 0.2655765 -0.2655765 0.5000000), wk = 0.0042373 k( 95) = ( 0.2522977 -0.2522977 0.5000000), wk = 0.0042373 k( 96) = ( 0.2390189 -0.2390189 0.5000000), wk = 0.0042373 k( 97) = ( 0.2257400 -0.2257400 0.5000000), wk = 0.0042373 k( 98) = ( 0.2124612 -0.2124612 0.5000000), wk = 0.0042373 k( 99) = ( 0.1991824 -0.1991824 0.5000000), wk = 0.0042373 k( 100) = ( 0.1859036 -0.1859036 0.5000000), wk = 0.0042373 k( 101) = ( 0.1726247 -0.1726247 0.5000000), wk = 0.0042373 k( 102) = ( 0.1593459 -0.1593459 0.5000000), wk = 0.0042373 k( 103) = ( 0.1460671 -0.1460671 0.5000000), wk = 0.0042373 k( 104) = ( 0.1327882 -0.1327882 0.5000000), wk = 0.0042373 k( 105) = ( 0.1195094 -0.1195094 0.5000000), wk = 0.0042373 k( 106) = ( 0.1062306 -0.1062306 0.5000000), wk = 0.0042373 k( 107) = ( 0.0929518 -0.0929518 0.5000000), wk = 0.0042373 k( 108) = ( 0.0796730 -0.0796730 0.5000000), wk = 0.0042373 k( 109) = ( 0.0663941 -0.0663941 0.5000000), wk = 0.0042373 k( 110) = ( 0.0531153 -0.0531153 0.5000000), wk = 0.0042373 k( 111) = ( 0.0398365 -0.0398365 0.5000000), wk = 0.0042373 k( 112) = ( 0.0265576 -0.0265576 0.5000000), wk = 0.0042373 k( 113) = ( 0.0132788 -0.0132788 0.5000000), wk = 0.0042373 k( 114) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0042373 k( 115) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0042373 k( 116) = ( 0.0175895 0.0175895 0.5072674), wk = 0.0042373 k( 117) = ( 0.0351791 0.0351791 0.5145348), wk = 0.0042373 k( 118) = ( 0.0527686 0.0527686 0.5218022), wk = 0.0042373 k( 119) = ( 0.0703581 0.0703581 0.5290696), wk = 0.0042373 k( 120) = ( 0.0879477 0.0879477 0.5363371), wk = 0.0042373 k( 121) = ( 0.1055372 0.1055372 0.5436045), wk = 0.0042373 k( 122) = ( 0.1231267 0.1231267 0.5508719), wk = 0.0042373 k( 123) = ( 0.1407162 0.1407162 0.5581393), wk = 0.0042373 k( 124) = ( 0.1583058 0.1583058 0.5654067), wk = 0.0042373 k( 125) = ( 0.1758953 0.1758953 0.5726741), wk = 0.0042373 k( 126) = ( 0.1934848 0.1934848 0.5799415), wk = 0.0042373 k( 127) = ( 0.2110743 0.2110743 0.5872089), wk = 0.0042373 k( 128) = ( 0.2286639 0.2286639 0.5944764), wk = 0.0042373 k( 129) = ( 0.2462534 0.2462534 0.6017438), wk = 0.0042373 k( 130) = ( 0.2638429 0.2638429 0.6090112), wk = 0.0042373 k( 131) = ( 0.2814325 0.2814325 0.6162786), wk = 0.0042373 k( 132) = ( 0.2990220 0.2990220 0.6235460), wk = 0.0042373 k( 133) = ( 0.3166115 0.3166115 0.6308134), wk = 0.0042373 k( 134) = ( 0.3342011 0.3342011 0.6380808), wk = 0.0042373 k( 135) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0042373 k( 136) = ( 0.5128153 0.4871847 -0.0000000), wk = 0.0042373 k( 137) = ( 0.5256306 0.4743693 -0.0000000), wk = 0.0042373 k( 138) = ( 0.5384460 0.4615540 -0.0000000), wk = 0.0042373 k( 139) = ( 0.5512613 0.4487387 -0.0000000), wk = 0.0042373 k( 140) = ( 0.5640766 0.4359234 -0.0000000), wk = 0.0042373 k( 141) = ( 0.4359234 -0.4359234 0.0000000), wk = 0.0042373 k( 142) = ( 0.4223008 -0.4223008 0.0000000), wk = 0.0042373 k( 143) = ( 0.4086782 -0.4086782 0.0000000), wk = 0.0042373 k( 144) = ( 0.3950555 -0.3950555 -0.0000000), wk = 0.0042373 k( 145) = ( 0.3814329 -0.3814329 0.0000000), wk = 0.0042373 k( 146) = ( 0.3678103 -0.3678103 0.0000000), wk = 0.0042373 k( 147) = ( 0.3541877 -0.3541877 0.0000000), wk = 0.0042373 k( 148) = ( 0.3405651 -0.3405651 0.0000000), wk = 0.0042373 k( 149) = ( 0.3269425 -0.3269425 0.0000000), wk = 0.0042373 k( 150) = ( 0.3133199 -0.3133199 0.0000000), wk = 0.0042373 k( 151) = ( 0.2996973 -0.2996973 0.0000000), wk = 0.0042373 k( 152) = ( 0.2860747 -0.2860747 0.0000000), wk = 0.0042373 k( 153) = ( 0.2724521 -0.2724521 0.0000000), wk = 0.0042373 k( 154) = ( 0.2588295 -0.2588295 0.0000000), wk = 0.0042373 k( 155) = ( 0.2452069 -0.2452069 -0.0000000), wk = 0.0042373 k( 156) = ( 0.2315843 -0.2315843 0.0000000), wk = 0.0042373 k( 157) = ( 0.2179617 -0.2179617 0.0000000), wk = 0.0042373 k( 158) = ( 0.2043391 -0.2043391 0.0000000), wk = 0.0042373 k( 159) = ( 0.1907165 -0.1907165 0.0000000), wk = 0.0042373 k( 160) = ( 0.1770939 -0.1770939 0.0000000), wk = 0.0042373 k( 161) = ( 0.1634713 -0.1634713 0.0000000), wk = 0.0042373 k( 162) = ( 0.1498487 -0.1498487 0.0000000), wk = 0.0042373 k( 163) = ( 0.1362260 -0.1362260 0.0000000), wk = 0.0042373 k( 164) = ( 0.1226035 -0.1226034 0.0000000), wk = 0.0042373 k( 165) = ( 0.1089808 -0.1089808 0.0000000), wk = 0.0042373 k( 166) = ( 0.0953582 -0.0953582 0.0000000), wk = 0.0042373 k( 167) = ( 0.0817356 -0.0817356 0.0000000), wk = 0.0042373 k( 168) = ( 0.0681130 -0.0681130 -0.0000000), wk = 0.0042373 k( 169) = ( 0.0544904 -0.0544904 0.0000000), wk = 0.0042373 k( 170) = ( 0.0408678 -0.0408678 0.0000000), wk = 0.0042373 k( 171) = ( 0.0272452 -0.0272452 0.0000000), wk = 0.0042373 k( 172) = ( 0.0136226 -0.0136226 0.0000000), wk = 0.0042373 k( 173) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042373 k( 174) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042373 k( 175) = ( 0.0200000 0.0000000 -0.0000000), wk = 0.0042373 k( 176) = ( 0.0400000 0.0000000 -0.0000000), wk = 0.0042373 k( 177) = ( 0.0600000 0.0000000 -0.0000000), wk = 0.0042373 k( 178) = ( 0.0800000 0.0000000 -0.0000000), wk = 0.0042373 k( 179) = ( 0.1000000 0.0000000 -0.0000000), wk = 0.0042373 k( 180) = ( 0.1200000 0.0000000 -0.0000000), wk = 0.0042373 k( 181) = ( 0.1400000 0.0000000 -0.0000000), wk = 0.0042373 k( 182) = ( 0.1600000 0.0000000 -0.0000000), wk = 0.0042373 k( 183) = ( 0.1800000 0.0000000 -0.0000000), wk = 0.0042373 k( 184) = ( 0.2000000 0.0000000 -0.0000000), wk = 0.0042373 k( 185) = ( 0.2200000 -0.0000000 -0.0000000), wk = 0.0042373 k( 186) = ( 0.2400000 0.0000000 -0.0000000), wk = 0.0042373 k( 187) = ( 0.2600000 0.0000000 -0.0000000), wk = 0.0042373 k( 188) = ( 0.2800000 0.0000000 -0.0000000), wk = 0.0042373 k( 189) = ( 0.3000000 0.0000000 -0.0000000), wk = 0.0042373 k( 190) = ( 0.3200000 0.0000000 -0.0000000), wk = 0.0042373 k( 191) = ( 0.3400000 0.0000000 -0.0000000), wk = 0.0042373 k( 192) = ( 0.3600000 0.0000000 -0.0000000), wk = 0.0042373 k( 193) = ( 0.3800000 -0.0000000 0.0000000), wk = 0.0042373 k( 194) = ( 0.4000000 0.0000000 -0.0000000), wk = 0.0042373 k( 195) = ( 0.4200000 0.0000000 -0.0000000), wk = 0.0042373 k( 196) = ( 0.4400000 -0.0000000 -0.0000000), wk = 0.0042373 k( 197) = ( 0.4600000 0.0000000 -0.0000000), wk = 0.0042373 k( 198) = ( 0.4800000 0.0000000 -0.0000000), wk = 0.0042373 k( 199) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0042373 k( 200) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0042373 k( 201) = ( 0.4861111 0.0000000 0.4861111), wk = 0.0042373 k( 202) = ( 0.4722222 -0.0000000 0.4722222), wk = 0.0042373 k( 203) = ( 0.4583333 0.0000000 0.4583333), wk = 0.0042373 k( 204) = ( 0.4444444 -0.0000000 0.4444444), wk = 0.0042373 k( 205) = ( 0.4305556 0.0000000 0.4305556), wk = 0.0042373 k( 206) = ( 0.4166667 0.0000000 0.4166667), wk = 0.0042373 k( 207) = ( 0.4027778 0.0000000 0.4027778), wk = 0.0042373 k( 208) = ( 0.3888889 0.0000000 0.3888889), wk = 0.0042373 k( 209) = ( 0.3750000 0.0000000 0.3750000), wk = 0.0042373 k( 210) = ( 0.3611111 0.0000000 0.3611111), wk = 0.0042373 k( 211) = ( 0.3472222 0.0000000 0.3472222), wk = 0.0042373 k( 212) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0042373 k( 213) = ( 0.3194444 0.0000000 0.3194444), wk = 0.0042373 k( 214) = ( 0.3055556 0.0000000 0.3055556), wk = 0.0042373 k( 215) = ( 0.2916667 -0.0000000 0.2916667), wk = 0.0042373 k( 216) = ( 0.2777778 0.0000000 0.2777778), wk = 0.0042373 k( 217) = ( 0.2638889 -0.0000000 0.2638889), wk = 0.0042373 k( 218) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0042373 k( 219) = ( 0.2361111 -0.0000000 0.2361111), wk = 0.0042373 k( 220) = ( 0.2222222 -0.0000000 0.2222222), wk = 0.0042373 k( 221) = ( 0.2083333 0.0000000 0.2083333), wk = 0.0042373 k( 222) = ( 0.1944444 0.0000000 0.1944444), wk = 0.0042373 k( 223) = ( 0.1805556 -0.0000000 0.1805556), wk = 0.0042373 k( 224) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0042373 k( 225) = ( 0.1527778 0.0000000 0.1527778), wk = 0.0042373 k( 226) = ( 0.1388889 0.0000000 0.1388889), wk = 0.0042373 k( 227) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0042373 k( 228) = ( 0.1111111 -0.0000000 0.1111111), wk = 0.0042373 k( 229) = ( 0.0972222 0.0000000 0.0972222), wk = 0.0042373 k( 230) = ( 0.0833333 -0.0000000 0.0833333), wk = 0.0042373 k( 231) = ( 0.0694444 -0.0000000 0.0694444), wk = 0.0042373 k( 232) = ( 0.0555556 -0.0000000 0.0555556), wk = 0.0042373 k( 233) = ( 0.0416667 0.0000000 0.0416667), wk = 0.0042373 k( 234) = ( 0.0277778 -0.0000000 0.0277778), wk = 0.0042373 k( 235) = ( 0.0138889 -0.0000000 0.0138889), wk = 0.0042373 k( 236) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042373 Dense grid: 106741 G-vectors FFT dimensions: ( 72, 72, 54) Smooth grid: 42403 G-vectors FFT dimensions: ( 50, 50, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 156, 58) NL pseudopotentials 0.19 Mb ( 78, 158) Each V/rho on FFT grid 0.08 Mb ( 5184) Each G-vector array 0.01 Mb ( 1482) G-vector shells 0.01 Mb ( 1482) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.55 Mb ( 156, 232) Each subspace H/S matrix 0.02 Mb ( 38, 38) Each matrix 0.28 Mb ( 158, 2, 58) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./Rb2TeSe4.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.6 secs Computing kpt #: 2 total cpu time spent up to now is 4.5 secs Computing kpt #: 3 total cpu time spent up to now is 5.8 secs Computing kpt #: 4 total cpu time spent up to now is 6.7 secs Computing kpt #: 5 total cpu time spent up to now is 7.7 secs Computing kpt #: 6 total cpu time spent up to now is 9.0 secs Computing kpt #: 7 total cpu time spent up to now is 9.8 secs Computing kpt #: 8 total cpu time spent up to now is 10.7 secs Computing kpt #: 9 total cpu time spent up to now is 11.6 secs Computing kpt #: 10 total cpu time spent up to now is 12.6 secs Computing kpt #: 11 total cpu time spent up to now is 13.5 secs Computing kpt #: 12 total cpu time spent up to now is 14.6 secs Computing kpt #: 13 total cpu time spent up to now is 15.6 secs Computing kpt #: 14 total cpu time spent up to now is 16.7 secs Computing kpt #: 15 total cpu time spent up to now is 17.6 secs Computing kpt #: 16 total cpu time spent up to now is 18.6 secs Computing kpt #: 17 total cpu time spent up to now is 19.5 secs Computing kpt #: 18 total cpu time spent up to now is 20.5 secs Computing kpt #: 19 total cpu time spent up to now is 21.4 secs Computing kpt #: 20 total cpu time spent up to now is 22.5 secs Computing kpt #: 21 total cpu time spent up to now is 23.6 secs Computing kpt #: 22 total cpu time spent up to now is 24.6 secs Computing kpt #: 23 total cpu time spent up to now is 25.5 secs Computing kpt #: 24 total cpu time spent up to now is 26.5 secs Computing kpt #: 25 total cpu time spent up to now is 27.4 secs Computing kpt #: 26 total cpu time spent up to now is 28.2 secs Computing kpt #: 27 total cpu time spent up to now is 29.1 secs Computing kpt #: 28 total cpu time spent up to now is 30.0 secs Computing kpt #: 29 total cpu time spent up to now is 30.9 secs Computing kpt #: 30 total cpu time spent up to now is 31.7 secs Computing kpt #: 31 total cpu time spent up to now is 32.6 secs Computing kpt #: 32 total cpu time spent up to now is 33.5 secs Computing kpt #: 33 total cpu time spent up to now is 34.3 secs Computing kpt #: 34 total cpu time spent up to now is 35.1 secs Computing kpt #: 35 total cpu time spent up to now is 36.0 secs Computing kpt #: 36 total cpu time spent up to now is 36.8 secs Computing kpt #: 37 total cpu time spent up to now is 37.6 secs Computing kpt #: 38 total cpu time spent up to now is 38.4 secs Computing kpt #: 39 total cpu time spent up to now is 39.4 secs Computing kpt #: 40 total cpu time spent up to now is 40.3 secs Computing kpt #: 41 total cpu time spent up to now is 41.3 secs Computing kpt #: 42 total cpu time spent up to now is 42.2 secs Computing kpt #: 43 total cpu time spent up to now is 43.3 secs Computing kpt #: 44 total cpu time spent up to now is 44.3 secs Computing kpt #: 45 total cpu time spent up to now is 45.3 secs Computing kpt #: 46 total cpu time spent up to now is 46.3 secs Computing kpt #: 47 total cpu time spent up to now is 47.3 secs Computing kpt #: 48 total cpu time spent up to now is 48.4 secs Computing kpt #: 49 total cpu time spent up to now is 49.4 secs Computing kpt #: 50 total cpu time spent up to now is 50.5 secs Computing kpt #: 51 total cpu time spent up to now is 51.6 secs Computing kpt #: 52 total cpu time spent up to now is 52.7 secs Computing kpt #: 53 total cpu time spent up to now is 53.8 secs Computing kpt #: 54 total cpu time spent up to now is 54.8 secs Computing kpt #: 55 total cpu time spent up to now is 55.8 secs Computing kpt #: 56 total cpu time spent up to now is 56.9 secs Computing kpt #: 57 total cpu time spent up to now is 57.9 secs Computing kpt #: 58 total cpu time spent up to now is 58.9 secs Computing kpt #: 59 total cpu time spent up to now is 60.0 secs Computing kpt #: 60 total cpu time spent up to now is 61.0 secs Computing kpt #: 61 total cpu time spent up to now is 62.0 secs Computing kpt #: 62 total cpu time spent up to now is 63.1 secs Computing kpt #: 63 total cpu time spent up to now is 64.1 secs Computing kpt #: 64 total cpu time spent up to now is 65.3 secs Computing kpt #: 65 total cpu time spent up to now is 66.5 secs Computing kpt #: 66 total cpu time spent up to now is 67.6 secs Computing kpt #: 67 total cpu time spent up to now is 68.7 secs Computing kpt #: 68 total cpu time spent up to now is 69.8 secs Computing kpt #: 69 total cpu time spent up to now is 70.8 secs Computing kpt #: 70 total cpu time spent up to now is 71.8 secs Computing kpt #: 71 total cpu time spent up to now is 72.8 secs Computing kpt #: 72 total cpu time spent up to now is 74.0 secs Computing kpt #: 73 total cpu time spent up to now is 75.0 secs Computing kpt #: 74 total cpu time spent up to now is 76.0 secs Computing kpt #: 75 total cpu time spent up to now is 77.1 secs Computing kpt #: 76 total cpu time spent up to now is 78.1 secs Computing kpt #: 77 total cpu time spent up to now is 79.2 secs Computing kpt #: 78 total cpu time spent up to now is 80.2 secs Computing kpt #: 79 total cpu time spent up to now is 81.2 secs Computing kpt #: 80 total cpu time spent up to now is 82.3 secs Computing kpt #: 81 total cpu time spent up to now is 83.3 secs Computing kpt #: 82 total cpu time spent up to now is 84.7 secs Computing kpt #: 83 total cpu time spent up to now is 85.7 secs Computing kpt #: 84 total cpu time spent up to now is 86.7 secs Computing kpt #: 85 total cpu time spent up to now is 87.9 secs Computing kpt #: 86 total cpu time spent up to now is 89.0 secs Computing kpt #: 87 total cpu time spent up to now is 90.1 secs Computing kpt #: 88 total cpu time spent up to now is 91.2 secs Computing kpt #: 89 total cpu time spent up to now is 92.3 secs Computing kpt #: 90 total cpu time spent up to now is 93.4 secs Computing kpt #: 91 total cpu time spent up to now is 94.6 secs Computing kpt #: 92 total cpu time spent up to now is 95.7 secs Computing kpt #: 93 total cpu time spent up to now is 96.9 secs Computing kpt #: 94 total cpu time spent up to now is 98.1 secs Computing kpt #: 95 total cpu time spent up to now is 99.7 secs Computing kpt #: 96 total cpu time spent up to now is 101.0 secs Computing kpt #: 97 total cpu time spent up to now is 102.4 secs Computing kpt #: 98 total cpu time spent up to now is 103.4 secs Computing kpt #: 99 total cpu time spent up to now is 104.6 secs Computing kpt #: 100 total cpu time spent up to now is 105.6 secs Computing kpt #: 101 total cpu time spent up to now is 106.5 secs Computing kpt #: 102 total cpu time spent up to now is 107.5 secs Computing kpt #: 103 total cpu time spent up to now is 108.3 secs Computing kpt #: 104 total cpu time spent up to now is 109.1 secs Computing kpt #: 105 total cpu time spent up to now is 110.0 secs Computing kpt #: 106 total cpu time spent up to now is 110.8 secs Computing kpt #: 107 total cpu time spent up to now is 111.6 secs Computing kpt #: 108 total cpu time spent up to now is 112.4 secs Computing kpt #: 109 total cpu time spent up to now is 113.1 secs Computing kpt #: 110 total cpu time spent up to now is 113.8 secs Computing kpt #: 111 total cpu time spent up to now is 114.6 secs Computing kpt #: 112 total cpu time spent up to now is 115.3 secs Computing kpt #: 113 total cpu time spent up to now is 116.0 secs Computing kpt #: 114 total cpu time spent up to now is 116.8 secs Computing kpt #: 115 total cpu time spent up 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Computing kpt #: 146 total cpu time spent up to now is 143.7 secs Computing kpt #: 147 total cpu time spent up to now is 144.6 secs Computing kpt #: 148 total cpu time spent up to now is 145.6 secs Computing kpt #: 149 total cpu time spent up to now is 146.5 secs Computing kpt #: 150 total cpu time spent up to now is 147.5 secs Computing kpt #: 151 total cpu time spent up to now is 148.5 secs Computing kpt #: 152 total cpu time spent up to now is 149.4 secs Computing kpt #: 153 total cpu time spent up to now is 150.4 secs Computing kpt #: 154 total cpu time spent up to now is 151.3 secs Computing kpt #: 155 total cpu time spent up to now is 152.1 secs Computing kpt #: 156 total cpu time spent up to now is 152.9 secs Computing kpt #: 157 total cpu time spent up to now is 154.2 secs Computing kpt #: 158 total cpu time spent up to now is 155.0 secs Computing kpt #: 159 total cpu time spent up to now is 155.8 secs Computing kpt #: 160 total cpu time spent up to now is 156.6 secs Computing kpt #: 161 total cpu time spent up to now is 157.4 secs Computing kpt #: 162 total cpu time spent up to now is 158.2 secs Computing kpt #: 163 total cpu time spent up to now is 159.1 secs Computing kpt #: 164 total cpu time spent up to now is 159.9 secs Computing kpt #: 165 total cpu time spent up to now is 160.7 secs Computing kpt #: 166 total cpu time spent up to now is 161.5 secs Computing kpt #: 167 total cpu time spent up to now is 162.3 secs Computing kpt #: 168 total cpu time spent up to now is 163.2 secs Computing kpt #: 169 total cpu time spent up to now is 164.1 secs Computing kpt #: 170 total cpu time spent up to now is 164.9 secs Computing kpt #: 171 total cpu time spent up to now is 165.8 secs Computing kpt #: 172 total cpu time spent up to now is 166.7 secs Computing kpt #: 173 total cpu time spent up to now is 167.6 secs Computing kpt #: 174 total cpu time spent up to now is 168.5 secs Computing kpt #: 175 total cpu time spent up to now is 169.4 secs Computing kpt #: 176 total cpu time spent up to now is 170.3 secs Computing kpt #: 177 total cpu time spent up to now is 171.2 secs Computing kpt #: 178 total cpu time spent up to now is 172.1 secs Computing kpt #: 179 total cpu time spent up to now is 173.0 secs Computing kpt #: 180 total cpu time spent up to now is 173.9 secs Computing kpt #: 181 total cpu time spent up to now is 174.8 secs Computing kpt #: 182 total cpu time spent up to now is 175.7 secs Computing kpt #: 183 total cpu time spent up to now is 176.6 secs Computing kpt #: 184 total cpu time spent up to now is 177.5 secs Computing kpt #: 185 total cpu time spent up to now is 178.5 secs Computing kpt #: 186 total cpu time spent up to now is 179.5 secs Computing kpt #: 187 total cpu time spent up to now is 180.4 secs Computing kpt #: 188 total cpu time spent up to now is 181.4 secs Computing kpt #: 189 total cpu time spent up to now is 182.4 secs Computing kpt #: 190 total cpu time spent up to now is 183.3 secs Computing kpt #: 191 total cpu time spent up to now is 184.4 secs Computing kpt #: 192 total cpu time spent up to now is 185.5 secs Computing kpt #: 193 total cpu time spent up to now is 186.6 secs Computing kpt #: 194 total cpu time spent up to now is 187.9 secs Computing kpt #: 195 total cpu time spent up to now is 188.9 secs Computing kpt #: 196 total cpu time spent up to now is 189.9 secs Computing kpt #: 197 total cpu time spent up to now is 191.1 secs Computing kpt #: 198 total cpu time spent up to now is 192.9 secs Computing kpt #: 199 total cpu time spent up to now is 194.5 secs Computing kpt #: 200 total cpu time spent up to now is 195.4 secs Computing kpt #: 201 total cpu time spent up to now is 196.4 secs Computing kpt #: 202 total cpu time spent up to now is 197.3 secs Computing kpt #: 203 total cpu time spent up to now is 198.1 secs Computing kpt #: 204 total cpu time spent up to now is 199.0 secs Computing kpt #: 205 total cpu time spent up to now is 199.9 secs Computing kpt #: 206 total cpu time spent up to now is 201.1 secs Computing kpt #: 207 total cpu time spent up to now is 202.0 secs Computing kpt #: 208 total cpu time spent up to now is 203.5 secs Computing kpt #: 209 total cpu time spent up to now is 204.4 secs Computing kpt #: 210 total cpu time spent up to now is 205.4 secs Computing kpt #: 211 total cpu time spent up to now is 206.3 secs Computing kpt #: 212 total cpu time spent up to now is 207.3 secs Computing kpt #: 213 total cpu time spent up to now is 208.2 secs Computing kpt #: 214 total cpu time spent up to now is 209.3 secs Computing kpt #: 215 total cpu time spent up to now is 210.3 secs Computing kpt #: 216 total cpu time spent up to now is 211.3 secs Computing kpt #: 217 total cpu time spent up to now is 212.5 secs Computing kpt #: 218 total cpu time spent up to now is 213.5 secs Computing kpt #: 219 total cpu time spent up to now is 214.5 secs Computing kpt #: 220 total cpu time spent up to now is 215.4 secs Computing kpt #: 221 total cpu time spent up to now is 216.6 secs Computing kpt #: 222 total cpu time spent up to now is 217.7 secs Computing kpt #: 223 total cpu time spent up to now is 218.8 secs Computing kpt #: 224 total cpu time spent up to now is 219.7 secs Computing kpt #: 225 total cpu time spent up to now is 220.6 secs Computing kpt #: 226 total cpu time spent up to now is 221.5 secs Computing kpt #: 227 total cpu time spent up to now is 222.4 secs Computing kpt #: 228 total cpu time spent up to now is 223.3 secs Computing kpt #: 229 total cpu time spent up to now is 224.3 secs Computing kpt #: 230 total cpu time spent up to now is 225.2 secs Computing kpt #: 231 total cpu time spent up to now is 226.1 secs Computing kpt #: 232 total cpu time spent up to now is 227.0 secs Computing kpt #: 233 total cpu time spent up to now is 227.8 secs Computing kpt #: 234 total cpu time spent up to now is 228.6 secs Computing kpt #: 235 total cpu time spent up to now is 229.4 secs Computing kpt #: 236 total cpu time spent up to now is 230.3 secs ethr = 2.08E-08, avg # of iterations = 21.0 total cpu time spent up to now is 230.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5333 PWs) bands (ev): -21.5906 -21.5906 -21.5739 -21.5739 -9.0142 -9.0142 -8.2977 -8.2977 -6.8978 -6.8978 -6.4875 -6.4875 -6.3366 -6.3366 -6.2357 -6.2357 -5.7668 -5.7668 -5.4423 -5.4423 -5.4251 -5.4251 -5.3955 -5.3955 -5.3221 -5.3221 0.4274 0.4274 0.5227 0.5227 0.9820 0.9820 2.4936 2.4936 2.5002 2.5002 2.5770 2.5770 2.6789 2.6789 3.4407 3.4407 3.6331 3.6331 3.8362 3.8362 4.6223 4.6223 5.1879 5.1879 6.5671 6.5671 7.1230 7.1230 7.5069 7.5069 8.1697 8.1697 k = 0.0156 0.0121-0.0096 ( 5329 PWs) bands (ev): -21.5906 -21.5906 -21.5739 -21.5739 -9.0139 -9.0139 -8.2988 -8.2988 -6.8960 -6.8960 -6.4889 -6.4889 -6.3360 -6.3360 -6.2361 -6.2361 -5.7667 -5.7667 -5.4424 -5.4424 -5.4256 -5.4256 -5.3957 -5.3957 -5.3208 -5.3208 0.4275 0.4275 0.5246 0.5246 0.9831 0.9831 2.4802 2.4802 2.4987 2.4987 2.5807 2.5807 2.6849 2.6849 3.4385 3.4385 3.6321 3.6321 3.8366 3.8366 4.6212 4.6212 5.1942 5.1942 6.5662 6.5662 7.1227 7.1227 7.5041 7.5041 8.1740 8.1740 k = 0.0312 0.0243-0.0191 ( 5324 PWs) bands (ev): -21.5905 -21.5905 -21.5740 -21.5740 -9.0128 -9.0128 -8.3022 -8.3022 -6.8906 -6.8906 -6.4931 -6.4931 -6.3342 -6.3342 -6.2374 -6.2374 -5.7662 -5.7662 -5.4427 -5.4427 -5.4270 -5.4270 -5.3963 -5.3963 -5.3174 -5.3174 0.4279 0.4279 0.5303 0.5303 0.9865 0.9865 2.4515 2.4515 2.4881 2.4881 2.5888 2.5888 2.7002 2.7002 3.4321 3.4321 3.6291 3.6291 3.8377 3.8377 4.6180 4.6180 5.2128 5.2128 6.5636 6.5636 7.1216 7.1216 7.4955 7.4955 8.1869 8.1869 k = 0.0469 0.0364-0.0287 ( 5321 PWs) bands (ev): -21.5905 -21.5905 -21.5740 -21.5740 -9.0111 -9.0111 -8.3079 -8.3079 -6.8817 -6.8817 -6.4999 -6.4999 -6.3312 -6.3312 -6.2395 -6.2395 -5.7655 -5.7655 -5.4437 -5.4437 -5.4289 -5.4289 -5.3968 -5.3968 -5.3123 -5.3123 0.4285 0.4285 0.5396 0.5396 0.9922 0.9922 2.4135 2.4135 2.4712 2.4712 2.5976 2.5976 2.7202 2.7202 3.4214 3.4214 3.6249 3.6249 3.8394 3.8394 4.6126 4.6126 5.2430 5.2430 6.5594 6.5594 7.1200 7.1200 7.4816 7.4816 8.2081 8.2081 k = 0.0625 0.0485-0.0382 ( 5327 PWs) bands (ev): -21.5904 -21.5904 -21.5741 -21.5741 -9.0086 -9.0086 -8.3155 -8.3155 -6.8696 -6.8696 -6.5093 -6.5093 -6.3275 -6.3275 -6.2422 -6.2422 -5.7646 -5.7646 -5.4458 -5.4458 -5.4305 -5.4305 -5.3969 -5.3969 -5.3060 -5.3060 0.4295 0.4295 0.5522 0.5522 1.0002 1.0002 2.3689 2.3689 2.4510 2.4510 2.6050 2.6050 2.7414 2.7414 3.4068 3.4068 3.6204 3.6204 3.8418 3.8418 4.6050 4.6050 5.2835 5.2835 6.5535 6.5535 7.1178 7.1178 7.4625 7.4625 8.2371 8.2371 k = 0.0781 0.0607-0.0478 ( 5319 PWs) bands (ev): -21.5903 -21.5903 -21.5741 -21.5741 -9.0055 -9.0055 -8.3251 -8.3251 -6.8543 -6.8543 -6.5209 -6.5209 -6.3230 -6.3230 -6.2454 -6.2454 -5.7634 -5.7634 -5.4493 -5.4493 -5.4313 -5.4313 -5.3966 -5.3966 -5.2990 -5.2990 0.4309 0.4309 0.5678 0.5678 1.0105 1.0105 2.3193 2.3193 2.4290 2.4290 2.6101 2.6101 2.7620 2.7620 3.3888 3.3888 3.6161 3.6161 3.8447 3.8447 4.5951 4.5951 5.3329 5.3329 6.5461 6.5461 7.1151 7.1151 7.4386 7.4386 8.2735 8.2735 k = 0.0938 0.0728-0.0574 ( 5309 PWs) bands (ev): -21.5902 -21.5902 -21.5742 -21.5742 -9.0017 -9.0017 -8.3364 -8.3364 -6.8362 -6.8362 -6.5346 -6.5346 -6.3180 -6.3180 -6.2490 -6.2490 -5.7620 -5.7620 -5.4540 -5.4540 -5.4310 -5.4310 -5.3958 -5.3958 -5.2917 -5.2917 0.4326 0.4326 0.5862 0.5862 1.0233 1.0233 2.2659 2.2659 2.4060 2.4060 2.6126 2.6126 2.7811 2.7811 3.3682 3.3682 3.6126 3.6126 3.8482 3.8482 4.5832 4.5832 5.3896 5.3896 6.5373 6.5373 7.1119 7.1119 7.4103 7.4103 8.3166 8.3166 k = 0.1094 0.0849-0.0669 ( 5307 PWs) bands (ev): -21.5901 -21.5901 -21.5744 -21.5744 -8.9973 -8.9973 -8.3492 -8.3492 -6.8155 -6.8155 -6.5502 -6.5502 -6.3128 -6.3128 -6.2528 -6.2528 -5.7604 -5.7604 -5.4593 -5.4593 -5.4302 -5.4302 -5.3946 -5.3946 -5.2843 -5.2843 0.4347 0.4347 0.6070 0.6070 1.0385 1.0385 2.2094 2.2094 2.3827 2.3827 2.6122 2.6122 2.7982 2.7982 3.3459 3.3459 3.6103 3.6103 3.8521 3.8521 4.5692 4.5692 5.4520 5.4520 6.5271 6.5271 7.1082 7.1082 7.3782 7.3782 8.3658 8.3658 k = 0.1250 0.0971-0.0765 ( 5305 PWs) bands (ev): -21.5899 -21.5899 -21.5745 -21.5745 -8.9923 -8.9923 -8.3632 -8.3632 -6.7927 -6.7927 -6.5673 -6.5673 -6.3075 -6.3075 -6.2565 -6.2565 -5.7587 -5.7587 -5.4647 -5.4647 -5.4288 -5.4288 -5.3932 -5.3932 -5.2772 -5.2772 0.4370 0.4370 0.6297 0.6297 1.0563 1.0563 2.1505 2.1505 2.3594 2.3594 2.6089 2.6089 2.8129 2.8129 3.3230 3.3230 3.6091 3.6091 3.8564 3.8564 4.5533 4.5533 5.5184 5.5184 6.5155 6.5155 7.1037 7.1037 7.3428 7.3428 8.4202 8.4202 k = 0.1406 0.1092-0.0860 ( 5300 PWs) bands (ev): -21.5897 -21.5897 -21.5746 -21.5746 -8.9867 -8.9867 -8.3782 -8.3782 -6.7681 -6.7681 -6.5858 -6.5858 -6.3023 -6.3023 -6.2600 -6.2600 -5.7569 -5.7569 -5.4699 -5.4699 -5.4272 -5.4272 -5.3915 -5.3915 -5.2705 -5.2705 0.4395 0.4395 0.6540 0.6540 1.0768 1.0768 2.0899 2.0899 2.3366 2.3366 2.6028 2.6028 2.8250 2.8250 3.3003 3.3003 3.6090 3.6090 3.8610 3.8610 4.5357 4.5357 5.5874 5.5874 6.5025 6.5025 7.0979 7.0979 7.3051 7.3051 8.4787 8.4787 k = 0.1562 0.1213-0.0956 ( 5294 PWs) bands (ev): -21.5896 -21.5896 -21.5748 -21.5748 -8.9806 -8.9806 -8.3941 -8.3941 -6.7425 -6.7425 -6.6051 -6.6051 -6.2976 -6.2976 -6.2627 -6.2627 -5.7551 -5.7551 -5.4748 -5.4748 -5.4253 -5.4253 -5.3896 -5.3896 -5.2642 -5.2642 0.4420 0.4420 0.6793 0.6793 1.0999 1.0999 2.0283 2.0283 2.3146 2.3146 2.5940 2.5940 2.8343 2.8343 3.2789 3.2789 3.6101 3.6101 3.8660 3.8660 4.5166 4.5166 5.6577 5.6577 6.4877 6.4877 7.0897 7.0897 7.2668 7.2668 8.5396 8.5396 k = 0.1719 0.1335-0.1051 ( 5299 PWs) bands (ev): -21.5894 -21.5894 -21.5750 -21.5750 -8.9739 -8.9739 -8.4105 -8.4105 -6.7174 -6.7174 -6.6237 -6.6237 -6.2940 -6.2940 -6.2642 -6.2642 -5.7532 -5.7532 -5.4791 -5.4791 -5.4233 -5.4233 -5.3876 -5.3876 -5.2587 -5.2587 0.4445 0.4445 0.7051 0.7051 1.1256 1.1256 1.9663 1.9663 2.2937 2.2937 2.5827 2.5827 2.8405 2.8405 3.2592 3.2592 3.6121 3.6121 3.8712 3.8712 4.4962 4.4962 5.7280 5.7280 6.4709 6.4709 7.0769 7.0769 7.2306 7.2306 8.6002 8.6002 k = 0.1875 0.1456-0.1147 ( 5300 PWs) bands (ev): -21.5892 -21.5892 -21.5752 -21.5752 -8.9669 -8.9669 -8.4273 -8.4273 -6.6978 -6.6978 -6.6368 -6.6368 -6.2921 -6.2921 -6.2637 -6.2637 -5.7513 -5.7513 -5.4829 -5.4829 -5.4211 -5.4211 -5.3856 -5.3856 -5.2538 -5.2538 0.4467 0.4467 0.7311 0.7311 1.1540 1.1540 1.9047 1.9047 2.2741 2.2741 2.5690 2.5690 2.8435 2.8435 3.2421 3.2421 3.6152 3.6152 3.8766 3.8766 4.4747 4.4747 5.7974 5.7974 6.4516 6.4516 7.0565 7.0565 7.2003 7.2003 8.6566 8.6566 k = 0.2031 0.1577-0.1243 ( 5295 PWs) bands (ev): -21.5889 -21.5889 -21.5754 -21.5754 -8.9594 -8.9594 -8.4443 -8.4443 -6.6972 -6.6972 -6.6308 -6.6308 -6.2921 -6.2921 -6.2612 -6.2612 -5.7495 -5.7495 -5.4859 -5.4859 -5.4188 -5.4188 -5.3835 -5.3835 -5.2497 -5.2497 0.4486 0.4486 0.7567 0.7567 1.1848 1.1848 1.8440 1.8440 2.2562 2.2562 2.5533 2.5533 2.8433 2.8433 3.2277 3.2277 3.6191 3.6191 3.8823 3.8823 4.4524 4.4524 5.8649 5.8649 6.4290 6.4290 7.0265 7.0265 7.1787 7.1787 8.7065 8.7065 k = 0.2188 0.1699-0.1338 ( 5295 PWs) bands (ev): -21.5887 -21.5887 -21.5756 -21.5756 -8.9516 -8.9516 -8.4613 -8.4613 -6.7139 -6.7139 -6.6077 -6.6077 -6.2935 -6.2935 -6.2571 -6.2571 -5.7476 -5.7476 -5.4882 -5.4882 -5.4165 -5.4165 -5.3814 -5.3814 -5.2463 -5.2463 0.4499 0.4499 0.7816 0.7816 1.2178 1.2178 1.7851 1.7851 2.2401 2.2401 2.5360 2.5360 2.8400 2.8400 3.2164 3.2164 3.6240 3.6240 3.8882 3.8882 4.4295 4.4295 5.9299 5.9299 6.4021 6.4021 6.9888 6.9888 7.1651 7.1651 8.7514 8.7514 k = 0.2344 0.1820-0.1434 ( 5291 PWs) bands (ev): -21.5884 -21.5884 -21.5758 -21.5758 -8.9435 -8.9435 -8.4782 -8.4782 -6.7361 -6.7361 -6.5793 -6.5793 -6.2957 -6.2957 -6.2520 -6.2520 -5.7459 -5.7459 -5.4897 -5.4897 -5.4142 -5.4142 -5.3793 -5.3793 -5.2439 -5.2439 0.4505 0.4505 0.8054 0.8054 1.2526 1.2526 1.7285 1.7285 2.2260 2.2260 2.5172 2.5172 2.8337 2.8337 3.2082 3.2082 3.6297 3.6297 3.8943 3.8943 4.4062 4.4062 5.9916 5.9916 6.3700 6.3700 6.9476 6.9476 7.1566 7.1566 8.7940 8.7940 k = 0.2500 0.1941-0.1529 ( 5292 PWs) bands (ev): -21.5882 -21.5882 -21.5761 -21.5761 -8.9352 -8.9352 -8.4947 -8.4947 -6.7600 -6.7600 -6.5494 -6.5494 -6.2981 -6.2981 -6.2466 -6.2466 -5.7442 -5.7442 -5.4904 -5.4904 -5.4119 -5.4119 -5.3772 -5.3772 -5.2423 -5.2423 0.4503 0.4503 0.8279 0.8279 1.2885 1.2885 1.6751 1.6751 2.2141 2.2141 2.4973 2.4973 2.8248 2.8248 3.2028 3.2028 3.6363 3.6363 3.9007 3.9007 4.3829 4.3829 6.0495 6.0495 6.3318 6.3318 6.9069 6.9069 7.1505 7.1505 8.8357 8.8357 k = 0.2656 0.2063-0.1625 ( 5291 PWs) bands (ev): -21.5879 -21.5879 -21.5763 -21.5763 -8.9267 -8.9267 -8.5108 -8.5108 -6.7844 -6.7844 -6.5192 -6.5192 -6.3007 -6.3007 -6.2410 -6.2410 -5.7427 -5.7427 -5.4902 -5.4902 -5.4096 -5.4096 -5.3753 -5.3753 -5.2415 -5.2415 0.4492 0.4492 0.8489 0.8489 1.3247 1.3247 1.6255 1.6255 2.2045 2.2045 2.4767 2.4767 2.8138 2.8138 3.1999 3.1999 3.6437 3.6437 3.9074 3.9074 4.3598 4.3598 6.1026 6.1026 6.2874 6.2874 6.8695 6.8695 7.1451 7.1451 8.8768 8.8768 k = 0.2812 0.2184-0.1721 ( 5285 PWs) bands (ev): -21.5876 -21.5876 -21.5766 -21.5766 -8.9182 -8.9182 -8.5263 -8.5263 -6.8088 -6.8088 -6.4893 -6.4893 -6.3031 -6.3031 -6.2354 -6.2354 -5.7412 -5.7412 -5.4891 -5.4891 -5.4074 -5.4074 -5.3734 -5.3734 -5.2415 -5.2415 0.4469 0.4469 0.8683 0.8683 1.3599 1.3599 1.5811 1.5811 2.1973 2.1973 2.4556 2.4556 2.8012 2.8012 3.1991 3.1991 3.6521 3.6521 3.9144 3.9144 4.3372 4.3372 6.1457 6.1457 6.2415 6.2415 6.8371 6.8371 7.1390 7.1390 8.9161 8.9161 k = 0.2969 0.2305-0.1816 ( 5289 PWs) bands (ev): -21.5873 -21.5873 -21.5769 -21.5769 -8.9097 -8.9097 -8.5412 -8.5412 -6.8328 -6.8328 -6.4600 -6.4600 -6.3054 -6.3054 -6.2300 -6.2300 -5.7399 -5.7399 -5.4873 -5.4873 -5.4054 -5.4054 -5.3716 -5.3716 -5.2424 -5.2424 0.4435 0.4435 0.8858 0.8858 1.3917 1.3917 1.5441 1.5441 2.1925 2.1925 2.4344 2.4344 2.7875 2.7875 3.2001 3.2001 3.6613 3.6613 3.9218 3.9218 4.3154 4.3154 6.1427 6.1427 6.2308 6.2308 6.8106 6.8106 7.1317 7.1317 8.9504 8.9504 k = 0.3125 0.2427-0.1912 ( 5307 PWs) bands (ev): -21.5871 -21.5871 -21.5772 -21.5772 -8.9013 -8.9013 -8.5553 -8.5553 -6.8563 -6.8563 -6.4319 -6.4319 -6.3075 -6.3075 -6.2247 -6.2247 -5.7387 -5.7387 -5.4846 -5.4846 -5.4036 -5.4036 -5.3699 -5.3699 -5.2440 -5.2440 0.4389 0.4389 0.9016 0.9016 1.4137 1.4137 1.5203 1.5203 2.1900 2.1900 2.4134 2.4134 2.7732 2.7732 3.2024 3.2024 3.6713 3.6713 3.9296 3.9296 4.2948 4.2948 6.0849 6.0849 6.2653 6.2653 6.7898 6.7898 7.1224 7.1224 8.9738 8.9738 k = 0.3281 0.2548-0.2007 ( 5305 PWs) bands (ev): -21.5868 -21.5868 -21.5774 -21.5774 -8.8932 -8.8932 -8.5686 -8.5686 -6.8788 -6.8788 -6.4051 -6.4051 -6.3092 -6.3092 -6.2198 -6.2198 -5.7377 -5.7377 -5.4812 -5.4812 -5.4020 -5.4020 -5.3684 -5.3684 -5.2462 -5.2462 0.4332 0.4332 0.9155 0.9155 1.4156 1.4156 1.5197 1.5197 2.1898 2.1898 2.3928 2.3928 2.7587 2.7587 3.2057 3.2057 3.6820 3.6820 3.9379 3.9379 4.2757 4.2757 6.0134 6.0134 6.3057 6.3057 6.7742 6.7742 7.1109 7.1109 8.9782 8.9782 k = 0.3438 0.2669-0.2103 ( 5302 PWs) bands (ev): -21.5865 -21.5865 -21.5777 -21.5777 -8.8853 -8.8853 -8.5809 -8.5809 -6.9002 -6.9002 -6.3801 -6.3801 -6.3104 -6.3104 -6.2152 -6.2152 -5.7367 -5.7367 -5.4770 -5.4770 -5.4007 -5.4007 -5.3669 -5.3669 -5.2490 -5.2490 0.4264 0.4264 0.9276 0.9276 1.4007 1.4007 1.5385 1.5385 2.1917 2.1917 2.3730 2.3730 2.7445 2.7445 3.2096 3.2096 3.6933 3.6933 3.9466 3.9466 4.2586 4.2586 5.9367 5.9367 6.3454 6.3454 6.7628 6.7628 7.0971 7.0971 8.9613 8.9613 k = 0.3594 0.2790-0.2198 ( 5303 PWs) bands (ev): -21.5861 -21.5861 -21.5780 -21.5780 -8.8778 -8.8778 -8.5922 -8.5922 -6.9202 -6.9202 -6.3577 -6.3577 -6.3105 -6.3105 -6.2110 -6.2110 -5.7359 -5.7359 -5.4722 -5.4722 -5.3997 -5.3997 -5.3657 -5.3657 -5.2523 -5.2523 0.4189 0.4189 0.9380 0.9380 1.3815 1.3815 1.5634 1.5634 2.1954 2.1954 2.3542 2.3542 2.7307 2.7307 3.2139 3.2139 3.7049 3.7049 3.9556 3.9556 4.2439 4.2439 5.8578 5.8578 6.3838 6.3838 6.7547 6.7547 7.0810 7.0810 8.9289 8.9289 k = 0.3750 0.2912-0.2294 ( 5299 PWs) bands (ev): -21.5859 -21.5859 -21.5783 -21.5783 -8.8707 -8.8707 -8.6025 -8.6025 -6.9388 -6.9388 -6.3396 -6.3396 -6.3079 -6.3079 -6.2072 -6.2072 -5.7352 -5.7352 -5.4669 -5.4669 -5.3991 -5.3991 -5.3645 -5.3645 -5.2559 -5.2559 0.4108 0.4108 0.9467 0.9467 1.3635 1.3635 1.5887 1.5887 2.2004 2.2004 2.3366 2.3366 2.7179 2.7179 3.2184 3.2184 3.7165 3.7165 3.9647 3.9647 4.2322 4.2322 5.7788 5.7788 6.4206 6.4206 6.7489 6.7489 7.0630 7.0630 8.8889 8.8889 k = 0.3906 0.3033-0.2390 ( 5293 PWs) bands (ev): -21.5856 -21.5856 -21.5785 -21.5785 -8.8643 -8.8643 -8.6117 -8.6117 -6.9556 -6.9556 -6.3294 -6.3294 -6.2993 -6.2993 -6.2040 -6.2040 -5.7346 -5.7346 -5.4611 -5.4611 -5.3990 -5.3990 -5.3636 -5.3636 -5.2597 -5.2597 0.4024 0.4024 0.9538 0.9538 1.3481 1.3481 1.6121 1.6121 2.2065 2.2065 2.3204 2.3204 2.7060 2.7060 3.2228 3.2228 3.7278 3.7278 3.9734 3.9734 4.2239 4.2239 5.7017 5.7017 6.4561 6.4561 6.7445 6.7445 7.0436 7.0436 8.8468 8.8468 k = 0.4062 0.3154-0.2485 ( 5289 PWs) bands (ev): -21.5853 -21.5853 -21.5788 -21.5788 -8.8585 -8.8585 -8.6197 -8.6197 -6.9705 -6.9705 -6.3260 -6.3260 -6.2858 -6.2858 -6.2013 -6.2013 -5.7341 -5.7341 -5.4550 -5.4550 -5.3993 -5.3993 -5.3628 -5.3628 -5.2635 -5.2635 0.3942 0.3942 0.9595 0.9595 1.3355 1.3355 1.6328 1.6328 2.2132 2.2132 2.3057 2.3057 2.6954 2.6954 3.2270 3.2270 3.7384 3.7384 3.9814 3.9814 4.2193 4.2193 5.6283 5.6283 6.4904 6.4904 6.7407 6.7407 7.0235 7.0235 8.8060 8.8060 k = 0.4219 0.3276-0.2581 ( 5295 PWs) bands (ev): -21.5850 -21.5850 -21.5791 -21.5791 -8.8534 -8.8534 -8.6266 -8.6266 -6.9834 -6.9834 -6.3253 -6.3253 -6.2717 -6.2717 -6.1992 -6.1992 -5.7337 -5.7337 -5.4487 -5.4487 -5.4001 -5.4001 -5.3622 -5.3622 -5.2671 -5.2671 0.3865 0.3865 0.9641 0.9641 1.3257 1.3257 1.6505 1.6505 2.2200 2.2200 2.2929 2.2929 2.6861 2.6861 3.2309 3.2309 3.7479 3.7479 3.9881 3.9881 4.2184 4.2184 5.5608 5.5608 6.5233 6.5233 6.7364 6.7364 7.0035 7.0035 8.7689 8.7689 k = 0.4375 0.3397-0.2676 ( 5298 PWs) bands (ev): -21.5848 -21.5848 -21.5793 -21.5793 -8.8492 -8.8492 -8.6323 -8.6323 -6.9942 -6.9942 -6.3254 -6.3254 -6.2592 -6.2592 -6.1977 -6.1977 -5.7334 -5.7334 -5.4425 -5.4425 -5.4015 -5.4015 -5.3618 -5.3618 -5.2705 -5.2705 0.3796 0.3796 0.9675 0.9675 1.3183 1.3183 1.6650 1.6650 2.2265 2.2265 2.2818 2.2818 2.6784 2.6784 3.2342 3.2342 3.7561 3.7561 3.9932 3.9932 4.2208 4.2208 5.5012 5.5012 6.5547 6.5547 6.7307 6.7307 6.9847 6.9847 8.7369 8.7369 k = 0.4531 0.3518-0.2772 ( 5300 PWs) bands (ev): -21.5846 -21.5846 -21.5795 -21.5795 -8.8458 -8.8458 -8.6367 -8.6367 -7.0027 -7.0027 -6.3256 -6.3256 -6.2489 -6.2489 -6.1968 -6.1968 -5.7332 -5.7332 -5.4365 -5.4365 -5.4035 -5.4035 -5.3615 -5.3615 -5.2733 -5.2733 0.3739 0.3739 0.9700 0.9700 1.3129 1.3129 1.6763 1.6763 2.2325 2.2325 2.2726 2.2726 2.6723 2.6723 3.2369 3.2369 3.7626 3.7626 3.9968 3.9968 4.2254 4.2254 5.4516 5.4516 6.5842 6.5842 6.7230 6.7230 6.9684 6.9684 8.7110 8.7110 k = 0.4688 0.3640-0.2868 ( 5299 PWs) bands (ev): -21.5845 -21.5845 -21.5796 -21.5796 -8.8433 -8.8433 -8.6399 -8.6399 -7.0088 -7.0088 -6.3259 -6.3259 -6.2411 -6.2411 -6.1963 -6.1963 -5.7330 -5.7330 -5.4311 -5.4311 -5.4059 -5.4059 -5.3613 -5.3613 -5.2754 -5.2754 0.3696 0.3696 0.9717 0.9717 1.3093 1.3093 1.6844 1.6844 2.2377 2.2377 2.2652 2.2652 2.6679 2.6679 3.2389 3.2389 3.7673 3.7673 3.9990 3.9990 4.2304 4.2304 5.4143 5.4143 6.6108 6.6108 6.7129 6.7129 6.9558 6.9558 8.6921 8.6921 k = 0.4844 0.3761-0.2963 ( 5301 PWs) bands (ev): -21.5844 -21.5844 -21.5797 -21.5797 -8.8418 -8.8418 -8.6418 -8.6418 -7.0125 -7.0125 -6.3261 -6.3261 -6.2362 -6.2362 -6.1962 -6.1962 -5.7329 -5.7329 -5.4268 -5.4268 -5.4082 -5.4082 -5.3612 -5.3612 -5.2768 -5.2768 0.3670 0.3670 0.9727 0.9727 1.3073 1.3073 1.6892 1.6892 2.2418 2.2418 2.2600 2.2600 2.6653 2.6653 3.2401 3.2401 3.7702 3.7702 4.0001 4.0001 4.2343 4.2343 5.3910 5.3910 6.6322 6.6322 6.7019 6.7019 6.9477 6.9477 8.6805 8.6805 k = 0.5000 0.3882-0.3059 ( 5296 PWs) bands (ev): -21.5843 -21.5843 -21.5798 -21.5798 -8.8413 -8.8413 -8.6424 -8.6424 -7.0137 -7.0137 -6.3261 -6.3261 -6.2346 -6.2346 -6.1962 -6.1962 -5.7329 -5.7329 -5.4251 -5.4251 -5.4093 -5.4093 -5.3611 -5.3611 -5.2772 -5.2772 0.3661 0.3661 0.9731 0.9731 1.3066 1.3066 1.6908 1.6908 2.2435 2.2435 2.2578 2.2578 2.6644 2.6644 3.2405 3.2405 3.7712 3.7712 4.0005 4.0005 4.2357 4.2357 5.3831 5.3831 6.6417 6.6417 6.6959 6.6959 6.9450 6.9450 8.6766 8.6766 k = 0.5000 0.3882-0.3059 ( 5296 PWs) bands (ev): -21.5843 -21.5843 -21.5798 -21.5798 -8.8413 -8.8413 -8.6424 -8.6424 -7.0137 -7.0137 -6.3261 -6.3261 -6.2346 -6.2346 -6.1962 -6.1962 -5.7329 -5.7329 -5.4251 -5.4251 -5.4093 -5.4093 -5.3611 -5.3611 -5.2772 -5.2772 0.3661 0.3661 0.9731 0.9731 1.3066 1.3066 1.6908 1.6908 2.2435 2.2435 2.2578 2.2578 2.6644 2.6644 3.2405 3.2405 3.7712 3.7712 4.0005 4.0005 4.2357 4.2357 5.3831 5.3831 6.6417 6.6417 6.6959 6.6959 6.9450 6.9450 8.6766 8.6766 k = 0.5075 0.3941-0.2861 ( 5299 PWs) bands (ev): -21.5843 -21.5843 -21.5797 -21.5797 -8.8405 -8.8405 -8.6418 -8.6418 -7.0168 -7.0168 -6.3254 -6.3254 -6.2347 -6.2347 -6.1972 -6.1972 -5.7310 -5.7310 -5.4260 -5.4260 -5.4089 -5.4089 -5.3611 -5.3611 -5.2769 -5.2769 0.3674 0.3674 0.9696 0.9696 1.3028 1.3028 1.6948 1.6948 2.1858 2.1858 2.3184 2.3184 2.6656 2.6656 3.2431 3.2431 3.7643 3.7643 4.0029 4.0029 4.2369 4.2369 5.3842 5.3842 6.6382 6.6382 6.6989 6.6989 6.9469 6.9469 8.6802 8.6802 k = 0.5151 0.3999-0.2664 ( 5293 PWs) bands (ev): -21.5843 -21.5843 -21.5797 -21.5797 -8.8382 -8.8382 -8.6400 -8.6400 -7.0261 -7.0261 -6.3233 -6.3233 -6.2352 -6.2352 -6.2002 -6.2002 -5.7254 -5.7254 -5.4284 -5.4284 -5.4079 -5.4079 -5.3611 -5.3611 -5.2759 -5.2759 0.3713 0.3713 0.9594 0.9594 1.2921 1.2921 1.7045 1.7045 2.1278 2.1278 2.3863 2.3863 2.6692 2.6692 3.2506 3.2506 3.7452 3.7452 4.0085 4.0085 4.2407 4.2407 5.3876 5.3876 6.6298 6.6298 6.7059 6.7059 6.9525 6.9525 8.6910 8.6910 k = 0.5226 0.4058-0.2466 ( 5291 PWs) bands (ev): -21.5843 -21.5843 -21.5797 -21.5797 -8.8342 -8.8342 -8.6370 -8.6370 -7.0411 -7.0411 -6.3201 -6.3201 -6.2359 -6.2359 -6.2051 -6.2051 -5.7163 -5.7163 -5.4319 -5.4319 -5.4069 -5.4069 -5.3611 -5.3611 -5.2742 -5.2742 0.3777 0.3777 0.9434 0.9434 1.2758 1.2758 1.7132 1.7132 2.0819 2.0819 2.4536 2.4536 2.6751 2.6751 3.2630 3.2630 3.7174 3.7174 4.0141 4.0141 4.2470 4.2470 5.3933 5.3933 6.6191 6.6191 6.7141 6.7141 6.9620 6.9620 8.7088 8.7088 k = 0.5301 0.4117-0.2269 ( 5296 PWs) bands (ev): -21.5843 -21.5843 -21.5797 -21.5797 -8.8287 -8.8287 -8.6329 -8.6329 -7.0613 -7.0613 -6.3163 -6.3163 -6.2370 -6.2370 -6.2118 -6.2118 -5.7041 -5.7041 -5.4360 -5.4360 -5.4061 -5.4061 -5.3609 -5.3609 -5.2718 -5.2718 0.3867 0.3867 0.9227 0.9227 1.2554 1.2554 1.7105 1.7105 2.0569 2.0569 2.5187 2.5187 2.6834 2.6834 3.2801 3.2801 3.6845 3.6845 4.0169 4.0169 4.2557 4.2557 5.4013 5.4013 6.6075 6.6075 6.7219 6.7219 6.9754 6.9754 8.7336 8.7336 k = 0.5377 0.4175-0.2071 ( 5307 PWs) bands (ev): -21.5843 -21.5843 -21.5796 -21.5796 -8.8217 -8.8217 -8.6276 -8.6276 -7.0861 -7.0861 -6.3123 -6.3123 -6.2387 -6.2387 -6.2200 -6.2200 -5.6890 -5.6890 -5.4405 -5.4405 -5.4058 -5.4058 -5.3607 -5.3607 -5.2686 -5.2686 0.3982 0.3982 0.8988 0.8988 1.2320 1.2320 1.6878 1.6878 2.0598 2.0598 2.5797 2.5797 2.6945 2.6945 3.3016 3.3016 3.6494 3.6494 4.0155 4.0155 4.2662 4.2662 5.4117 5.4117 6.5957 6.5957 6.7282 6.7282 6.9925 6.9925 8.7652 8.7652 k = 0.5452 0.4234-0.1874 ( 5307 PWs) bands (ev): -21.5843 -21.5843 -21.5796 -21.5796 -8.8131 -8.8131 -8.6211 -8.6211 -7.1149 -7.1149 -6.3085 -6.3085 -6.2421 -6.2421 -6.2282 -6.2282 -5.6717 -5.6717 -5.4453 -5.4453 -5.4058 -5.4058 -5.3602 -5.3602 -5.2645 -5.2645 0.4121 0.4121 0.8728 0.8728 1.2063 1.2063 1.6457 1.6457 2.0889 2.0889 2.6335 2.6335 2.7100 2.7100 3.3267 3.3267 3.6149 3.6149 4.0098 4.0098 4.2774 4.2774 5.4246 5.4246 6.5840 6.5840 6.7329 6.7329 7.0131 7.0131 8.8033 8.8033 k = 0.5528 0.4292-0.1676 ( 5299 PWs) bands (ev): -21.5843 -21.5843 -21.5795 -21.5795 -8.8031 -8.8031 -8.6136 -8.6136 -7.1469 -7.1469 -6.3055 -6.3055 -6.2504 -6.2504 -6.2331 -6.2331 -5.6530 -5.6530 -5.4501 -5.4501 -5.4064 -5.4064 -5.3595 -5.3595 -5.2594 -5.2594 0.4283 0.4283 0.8459 0.8459 1.1790 1.1790 1.5909 1.5909 2.1364 2.1364 2.6738 2.6738 2.7344 2.7344 3.3546 3.3546 3.5836 3.5836 4.0000 4.0000 4.2882 4.2882 5.4398 5.4398 6.5725 6.5725 6.7357 6.7357 7.0368 7.0368 8.8476 8.8476 k = 0.5603 0.4351-0.1479 ( 5301 PWs) bands (ev): -21.5843 -21.5843 -21.5794 -21.5794 -8.7916 -8.7916 -8.6049 -8.6049 -7.1816 -7.1816 -6.3037 -6.3037 -6.2631 -6.2631 -6.2348 -6.2348 -5.6336 -5.6336 -5.4546 -5.4546 -5.4074 -5.4074 -5.3586 -5.3586 -5.2529 -5.2529 0.4467 0.4467 0.8189 0.8189 1.1503 1.1503 1.5293 1.5293 2.1956 2.1956 2.6982 2.6982 2.7680 2.7680 3.3836 3.3836 3.5589 3.5589 3.9870 3.9870 4.2976 4.2976 5.4576 5.4576 6.5613 6.5613 6.7369 6.7369 7.0630 7.0630 8.8978 8.8978 k = 0.5678 0.4409-0.1281 ( 5309 PWs) bands (ev): -21.5843 -21.5843 -21.5794 -21.5794 -8.7788 -8.7788 -8.5952 -8.5952 -7.2183 -7.2183 -6.3038 -6.3038 -6.2777 -6.2777 -6.2351 -6.2351 -5.6147 -5.6147 -5.4586 -5.4586 -5.4089 -5.4089 -5.3575 -5.3575 -5.2447 -5.2447 0.4672 0.4672 0.7926 0.7926 1.1209 1.1209 1.4645 1.4645 2.2625 2.2625 2.7140 2.7140 2.8014 2.8014 3.4109 3.4109 3.5456 3.5456 3.9716 3.9716 4.3048 4.3048 5.4777 5.4777 6.5502 6.5502 6.7365 6.7365 7.0911 7.0911 8.9535 8.9535 k = 0.5754 0.4468-0.1084 ( 5304 PWs) bands (ev): -21.5843 -21.5843 -21.5792 -21.5792 -8.7646 -8.7646 -8.5845 -8.5845 -7.2566 -7.2566 -6.3088 -6.3088 -6.2907 -6.2907 -6.2347 -6.2347 -5.5973 -5.5973 -5.4616 -5.4616 -5.4109 -5.4109 -5.3562 -5.3562 -5.2345 -5.2345 0.4895 0.4895 0.7676 0.7676 1.0908 1.0908 1.3986 1.3986 2.3345 2.3345 2.7262 2.7262 2.8275 2.8275 3.4325 3.4325 3.5490 3.5490 3.9547 3.9547 4.3092 4.3092 5.5002 5.5002 6.5393 6.5393 6.7347 6.7347 7.1204 7.1204 9.0140 9.0140 k = 0.5829 0.4526-0.0887 ( 5307 PWs) bands (ev): -21.5843 -21.5843 -21.5791 -21.5791 -8.7492 -8.7492 -8.5728 -8.5728 -7.2960 -7.2960 -6.3231 -6.3231 -6.2971 -6.2971 -6.2339 -6.2339 -5.5826 -5.5826 -5.4631 -5.4631 -5.4132 -5.4132 -5.3548 -5.3548 -5.2218 -5.2218 0.5131 0.5131 0.7445 0.7445 1.0607 1.0607 1.3328 1.3328 2.4095 2.4095 2.7360 2.7360 2.8436 2.8436 3.4484 3.4484 3.5699 3.5699 3.9370 3.9370 4.3105 4.3105 5.5249 5.5249 6.5283 6.5283 6.7317 6.7317 7.1503 7.1503 9.0787 9.0787 k = 0.5904 0.4585-0.0689 ( 5300 PWs) bands (ev): -21.5844 -21.5844 -21.5790 -21.5790 -8.7326 -8.7326 -8.5602 -8.5602 -7.3361 -7.3361 -6.3428 -6.3428 -6.3005 -6.3005 -6.2328 -6.2328 -5.5717 -5.5717 -5.4627 -5.4627 -5.4159 -5.4159 -5.3536 -5.3536 -5.2064 -5.2064 0.5375 0.5375 0.7239 0.7239 1.0308 1.0308 1.2681 1.2681 2.4862 2.4862 2.7433 2.7433 2.8501 2.8501 3.4638 3.4638 3.6026 3.6026 3.9196 3.9196 4.3086 4.3086 5.5517 5.5517 6.5173 6.5173 6.7276 6.7276 7.1802 7.1802 9.1463 9.1463 k = 0.5980 0.4643-0.0492 ( 5302 PWs) bands (ev): -21.5844 -21.5844 -21.5789 -21.5789 -8.7150 -8.7150 -8.5468 -8.5468 -7.3766 -7.3766 -6.3649 -6.3649 -6.3038 -6.3038 -6.2317 -6.2317 -5.5650 -5.5650 -5.4604 -5.4604 -5.4188 -5.4188 -5.3525 -5.3525 -5.1879 -5.1879 0.5612 0.5612 0.7068 0.7068 1.0015 1.0015 1.2053 1.2053 2.5619 2.5619 2.7477 2.7477 2.8499 2.8499 3.4825 3.4825 3.6408 3.6408 3.9037 3.9037 4.3034 4.3034 5.5804 5.5804 6.5062 6.5062 6.7224 6.7224 7.2094 7.2094 9.2151 9.2151 k = 0.6055 0.4702-0.0294 ( 5310 PWs) bands (ev): -21.5844 -21.5844 -21.5788 -21.5788 -8.6965 -8.6965 -8.5325 -8.5325 -7.4169 -7.4169 -6.3885 -6.3885 -6.3073 -6.3073 -6.2307 -6.2307 -5.5623 -5.5623 -5.4568 -5.4568 -5.4219 -5.4219 -5.3517 -5.3517 -5.1664 -5.1664 0.5813 0.5813 0.6958 0.6958 0.9733 0.9733 1.1448 1.1448 2.6300 2.6300 2.7521 2.7521 2.8480 2.8480 3.5047 3.5047 3.6805 3.6805 3.8908 3.8908 4.2951 4.2951 5.6108 5.6108 6.4948 6.4948 6.7162 6.7162 7.2374 7.2374 9.2820 9.2820 k = 0.6130 0.4760-0.0097 ( 5313 PWs) bands (ev): -21.5845 -21.5845 -21.5786 -21.5786 -8.6772 -8.6772 -8.5175 -8.5175 -7.4569 -7.4569 -6.4133 -6.4133 -6.3113 -6.3113 -6.2298 -6.2298 -5.5628 -5.5628 -5.4527 -5.4527 -5.4250 -5.4250 -5.3513 -5.3513 -5.1421 -5.1421 0.5931 0.5931 0.6948 0.6948 0.9471 0.9471 1.0875 1.0875 2.6674 2.6674 2.7763 2.7763 2.8493 2.8493 3.5288 3.5288 3.7186 3.7186 3.8830 3.8830 4.2840 4.2840 5.6426 5.6426 6.4832 6.4832 6.7092 6.7092 7.2636 7.2636 9.3414 9.3414 k = 0.6206 0.4819 0.0101 ( 5314 PWs) bands (ev): -21.5845 -21.5845 -21.5785 -21.5785 -8.6573 -8.6573 -8.5018 -8.5018 -7.4960 -7.4960 -6.4391 -6.4391 -6.3155 -6.3155 -6.2291 -6.2291 -5.5655 -5.5655 -5.4490 -5.4490 -5.4277 -5.4277 -5.3514 -5.3514 -5.1155 -5.1155 0.5928 0.5928 0.7059 0.7059 0.9239 0.9239 1.0340 1.0340 2.6605 2.6605 2.8250 2.8250 2.8645 2.8645 3.5523 3.5523 3.7517 3.7517 3.8836 3.8836 4.2705 4.2705 5.6757 5.6757 6.4714 6.4714 6.7014 6.7014 7.2874 7.2874 9.3861 9.3861 k = 0.6281 0.4877 0.0298 ( 5324 PWs) bands (ev): -21.5846 -21.5846 -21.5783 -21.5783 -8.6371 -8.6371 -8.4856 -8.4856 -7.5341 -7.5341 -6.4656 -6.4656 -6.3199 -6.3199 -6.2287 -6.2287 -5.5697 -5.5697 -5.4470 -5.4470 -5.4293 -5.4293 -5.3519 -5.3519 -5.0871 -5.0871 0.5834 0.5834 0.7235 0.7235 0.9057 0.9057 0.9852 0.9852 2.6337 2.6337 2.8450 2.8450 2.9232 2.9232 3.5728 3.5728 3.7770 3.7770 3.8955 3.8955 4.2553 4.2553 5.7097 5.7097 6.4593 6.4593 6.6929 6.6929 7.3084 7.3084 9.4130 9.4130 k = 0.6357 0.4936 0.0496 ( 5312 PWs) bands (ev): -21.5846 -21.5846 -21.5782 -21.5782 -8.6168 -8.6168 -8.4689 -8.4689 -7.5706 -7.5706 -6.4928 -6.4928 -6.3245 -6.3245 -6.2285 -6.2285 -5.5748 -5.5748 -5.4474 -5.4474 -5.4293 -5.4293 -5.3528 -5.3528 -5.0576 -5.0576 0.5689 0.5689 0.7388 0.7388 0.8957 0.8957 0.9431 0.9431 2.5995 2.5995 2.8528 2.8528 2.9973 2.9973 3.5890 3.5890 3.7950 3.7950 3.9178 3.9178 4.2390 4.2390 5.7444 5.7444 6.4470 6.4470 6.6838 6.6838 7.3262 7.3262 9.4274 9.4274 k = 0.6432 0.4994 0.0693 ( 5302 PWs) bands (ev): -21.5847 -21.5847 -21.5780 -21.5780 -8.5968 -8.5968 -8.4518 -8.4518 -7.6051 -7.6051 -6.5203 -6.5203 -6.3292 -6.3292 -6.2286 -6.2286 -5.5806 -5.5806 -5.4498 -5.4498 -5.4278 -5.4278 -5.3542 -5.3542 -5.0273 -5.0273 0.5512 0.5512 0.7444 0.7444 0.8887 0.8887 0.9184 0.9184 2.5620 2.5620 2.8589 2.8589 3.0721 3.0721 3.6004 3.6004 3.8091 3.8091 3.9455 3.9455 4.2228 4.2228 5.7793 5.7793 6.4346 6.4346 6.6745 6.6745 7.3404 7.3404 9.4367 9.4367 k = 0.6507 0.5053 0.0891 ( 5300 PWs) bands (ev): -21.5847 -21.5847 -21.5778 -21.5778 -8.5775 -8.5775 -8.4344 -8.4344 -7.6372 -7.6372 -6.5481 -6.5481 -6.3340 -6.3340 -6.2290 -6.2290 -5.5866 -5.5866 -5.4535 -5.4535 -5.4259 -5.4259 -5.3559 -5.3559 -4.9970 -4.9970 0.5310 0.5310 0.7381 0.7381 0.8651 0.8651 0.9322 0.9322 2.5233 2.5233 2.8639 2.8639 3.1448 3.1448 3.6082 3.6082 3.8218 3.8218 3.9735 3.9735 4.2079 4.2079 5.8142 5.8142 6.4221 6.4221 6.6651 6.6651 7.3508 7.3508 9.4458 9.4458 k = 0.6583 0.5111 0.1088 ( 5297 PWs) bands (ev): -21.5848 -21.5848 -21.5776 -21.5776 -8.5593 -8.5593 -8.4168 -8.4168 -7.6663 -7.6663 -6.5759 -6.5759 -6.3388 -6.3388 -6.2297 -6.2297 -5.5928 -5.5928 -5.4577 -5.4577 -5.4240 -5.4240 -5.3579 -5.3579 -4.9670 -4.9670 0.5086 0.5086 0.7237 0.7237 0.8415 0.8415 0.9636 0.9636 2.4848 2.4848 2.8677 2.8677 3.2136 3.2136 3.6145 3.6145 3.8330 3.8330 3.9983 3.9983 4.1960 4.1960 5.8487 5.8487 6.4097 6.4097 6.6561 6.6561 7.3572 7.3572 9.4572 9.4572 k = 0.6658 0.5170 0.1286 ( 5302 PWs) bands (ev): -21.5849 -21.5849 -21.5774 -21.5774 -8.5427 -8.5427 -8.3991 -8.3991 -7.6918 -7.6918 -6.6036 -6.6036 -6.3436 -6.3436 -6.2307 -6.2307 -5.5991 -5.5991 -5.4623 -5.4623 -5.4223 -5.4223 -5.3602 -5.3602 -4.9377 -4.9377 0.4845 0.4845 0.7054 0.7054 0.8232 0.8232 1.0029 1.0029 2.4474 2.4474 2.8699 2.8699 3.2769 3.2769 3.6216 3.6216 3.8414 3.8414 4.0174 4.0174 4.1889 4.1889 5.8823 5.8823 6.3974 6.3974 6.6480 6.6480 7.3595 7.3595 9.4721 9.4721 k = 0.6658 0.5170 0.1286 ( 5302 PWs) bands (ev): -21.5849 -21.5849 -21.5774 -21.5774 -8.5427 -8.5427 -8.3991 -8.3991 -7.6918 -7.6918 -6.6036 -6.6036 -6.3436 -6.3436 -6.2307 -6.2307 -5.5991 -5.5991 -5.4623 -5.4623 -5.4223 -5.4223 -5.3602 -5.3602 -4.9377 -4.9377 0.4845 0.4845 0.7054 0.7054 0.8232 0.8232 1.0029 1.0029 2.4474 2.4474 2.8699 2.8699 3.2769 3.2769 3.6216 3.6216 3.8414 3.8414 4.0174 4.0174 4.1889 4.1889 5.8823 5.8823 6.3974 6.3974 6.6480 6.6480 7.3595 7.3595 9.4721 9.4721 k = 0.6560 0.5094 0.1466 ( 5305 PWs) bands (ev): -21.5852 -21.5852 -21.5771 -21.5771 -8.5482 -8.5482 -8.3826 -8.3826 -7.6886 -7.6886 -6.6380 -6.6380 -6.3482 -6.3482 -6.2281 -6.2281 -5.6081 -5.6081 -5.4615 -5.4615 -5.4173 -5.4173 -5.3586 -5.3586 -4.9098 -4.9098 0.4743 0.4743 0.6927 0.6927 0.7789 0.7789 1.0727 1.0727 2.3993 2.3993 2.8598 2.8598 3.3031 3.3031 3.6274 3.6274 3.8439 3.8439 4.0151 4.0151 4.1729 4.1729 5.9642 5.9642 6.3402 6.3402 6.6540 6.6540 7.3582 7.3582 9.5312 9.5312 k = 0.6463 0.5018 0.1646 ( 5303 PWs) bands (ev): -21.5855 -21.5855 -21.5768 -21.5768 -8.5549 -8.5549 -8.3653 -8.3653 -7.6832 -7.6832 -6.6732 -6.6732 -6.3529 -6.3529 -6.2259 -6.2259 -5.6166 -5.6166 -5.4606 -5.4606 -5.4129 -5.4129 -5.3570 -5.3570 -4.8821 -4.8821 0.4614 0.4614 0.6760 0.6760 0.7428 0.7428 1.1458 1.1458 2.3509 2.3509 2.8497 2.8497 3.3280 3.3280 3.6350 3.6350 3.8470 3.8470 4.0123 4.0123 4.1592 4.1592 6.0344 6.0344 6.2765 6.2765 6.6697 6.6697 7.3554 7.3554 9.5903 9.5903 k = 0.6365 0.4943 0.1825 ( 5296 PWs) bands (ev): -21.5857 -21.5857 -21.5765 -21.5765 -8.5627 -8.5627 -8.3472 -8.3472 -7.6760 -7.6760 -6.7089 -6.7089 -6.3575 -6.3575 -6.2241 -6.2241 -5.6245 -5.6245 -5.4597 -5.4597 -5.4091 -5.4091 -5.3552 -5.3552 -4.8549 -4.8549 0.4447 0.4447 0.6536 0.6536 0.7182 0.7182 1.2208 1.2208 2.3032 2.3032 2.8399 2.8399 3.3509 3.3509 3.6440 3.6440 3.8507 3.8507 4.0094 4.0094 4.1481 4.1481 6.0795 6.0795 6.2197 6.2197 6.6940 6.6940 7.3513 7.3513 9.6453 9.6453 k = 0.6268 0.4867 0.2005 ( 5294 PWs) bands (ev): -21.5860 -21.5860 -21.5762 -21.5762 -8.5712 -8.5712 -8.3286 -8.3286 -7.6674 -7.6674 -6.7447 -6.7447 -6.3621 -6.3621 -6.2227 -6.2227 -5.6318 -5.6318 -5.4588 -5.4588 -5.4061 -5.4061 -5.3534 -5.3534 -4.8284 -4.8284 0.4232 0.4232 0.6290 0.6290 0.7034 0.7034 1.2970 1.2970 2.2569 2.2569 2.8305 2.8305 3.3716 3.3716 3.6543 3.6543 3.8547 3.8547 4.0064 4.0064 4.1399 4.1399 6.0589 6.0589 6.2109 6.2109 6.7257 6.7257 7.3465 7.3465 9.6906 9.6906 k = 0.6170 0.4791 0.2185 ( 5290 PWs) bands (ev): -21.5862 -21.5862 -21.5760 -21.5760 -8.5802 -8.5802 -8.3095 -8.3095 -7.6577 -7.6577 -6.7803 -6.7803 -6.3665 -6.3665 -6.2216 -6.2216 -5.6385 -5.6385 -5.4578 -5.4578 -5.4038 -5.4038 -5.3514 -5.3514 -4.8026 -4.8026 0.3965 0.3965 0.6071 0.6071 0.6938 0.6938 1.3734 1.3734 2.2127 2.2127 2.8219 2.8219 3.3899 3.3899 3.6655 3.6655 3.8589 3.8589 4.0035 4.0035 4.1354 4.1354 5.9838 5.9838 6.2401 6.2401 6.7631 6.7631 7.3412 7.3412 9.7206 9.7206 k = 0.6073 0.4715 0.2365 ( 5287 PWs) bands (ev): -21.5864 -21.5864 -21.5757 -21.5757 -8.5893 -8.5893 -8.2903 -8.2903 -7.6475 -7.6475 -6.8154 -6.8154 -6.3707 -6.3707 -6.2209 -6.2209 -5.6446 -5.6446 -5.4569 -5.4569 -5.4023 -5.4023 -5.3493 -5.3493 -4.7779 -4.7779 0.3655 0.3655 0.5900 0.5900 0.6868 0.6868 1.4491 1.4491 2.1712 2.1712 2.8141 2.8141 3.4057 3.4057 3.6773 3.6773 3.8628 3.8628 4.0009 4.0009 4.1352 4.1352 5.8923 5.8923 6.2717 6.2717 6.8040 6.8040 7.3359 7.3359 9.7345 9.7345 k = 0.5975 0.4640 0.2545 ( 5285 PWs) bands (ev): -21.5866 -21.5866 -21.5755 -21.5755 -8.5984 -8.5984 -8.2711 -8.2711 -7.6369 -7.6369 -6.8496 -6.8496 -6.3746 -6.3746 -6.2204 -6.2204 -5.6500 -5.6500 -5.4560 -5.4560 -5.4014 -5.4014 -5.3471 -5.3471 -4.7543 -4.7543 0.3319 0.3319 0.5776 0.5776 0.6815 0.6815 1.5231 1.5231 2.1327 2.1327 2.8074 2.8074 3.4190 3.4190 3.6893 3.6893 3.8658 3.8658 3.9987 3.9987 4.1401 4.1401 5.7940 5.7940 6.2987 6.2987 6.8459 6.8459 7.3305 7.3305 9.7362 9.7362 k = 0.5878 0.4564 0.2725 ( 5294 PWs) bands (ev): -21.5868 -21.5868 -21.5753 -21.5753 -8.6072 -8.6072 -8.2523 -8.2523 -7.6264 -7.6264 -6.8825 -6.8825 -6.3783 -6.3783 -6.2202 -6.2202 -5.6549 -5.6549 -5.4551 -5.4551 -5.4011 -5.4011 -5.3450 -5.3450 -4.7322 -4.7322 0.2975 0.2975 0.5686 0.5686 0.6772 0.6772 1.5941 1.5941 2.0976 2.0976 2.8019 2.8019 3.4299 3.4299 3.7014 3.7014 3.8674 3.8674 3.9971 3.9971 4.1505 4.1505 5.6921 5.6921 6.3208 6.3208 6.8868 6.8868 7.3254 7.3254 9.7303 9.7303 k = 0.5780 0.4488 0.2905 ( 5287 PWs) bands (ev): -21.5869 -21.5869 -21.5751 -21.5751 -8.6155 -8.6155 -8.2340 -8.2340 -7.6162 -7.6162 -6.9137 -6.9137 -6.3816 -6.3816 -6.2202 -6.2202 -5.6591 -5.6591 -5.4542 -5.4542 -5.4012 -5.4012 -5.3429 -5.3429 -4.7117 -4.7117 0.2637 0.2637 0.5623 0.5623 0.6738 0.6738 1.6611 1.6611 2.0663 2.0663 2.7978 2.7978 3.4388 3.4388 3.7132 3.7132 3.8673 3.8673 3.9963 3.9963 4.1668 4.1668 5.5886 5.5886 6.3390 6.3390 6.9249 6.9249 7.3206 7.3206 9.7200 9.7200 k = 0.5683 0.4413 0.3085 ( 5282 PWs) bands (ev): -21.5871 -21.5871 -21.5749 -21.5749 -8.6231 -8.6231 -8.2166 -8.2166 -7.6066 -7.6066 -6.9427 -6.9427 -6.3846 -6.3846 -6.2203 -6.2203 -5.6628 -5.6628 -5.4535 -5.4535 -5.4015 -5.4015 -5.3410 -5.3410 -4.6930 -4.6930 0.2317 0.2317 0.5577 0.5577 0.6711 0.6711 1.7226 1.7226 2.0391 2.0391 2.7950 2.7950 3.4457 3.4457 3.7245 3.7245 3.8652 3.8652 3.9964 3.9964 4.1890 4.1890 5.4851 5.4851 6.3538 6.3538 6.9591 6.9591 7.3162 7.3162 9.7074 9.7074 k = 0.5585 0.4337 0.3265 ( 5280 PWs) bands (ev): -21.5872 -21.5872 -21.5748 -21.5748 -8.6300 -8.6300 -8.2005 -8.2005 -7.5978 -7.5978 -6.9690 -6.9690 -6.3872 -6.3872 -6.2205 -6.2205 -5.6659 -5.6659 -5.4528 -5.4528 -5.4021 -5.4021 -5.3393 -5.3393 -4.6763 -4.6763 0.2025 0.2025 0.5545 0.5545 0.6690 0.6690 1.7771 1.7771 2.0165 2.0165 2.7935 2.7935 3.4511 3.4511 3.7353 3.7353 3.8614 3.8614 3.9973 3.9973 4.2167 4.2167 5.3838 5.3838 6.3660 6.3660 6.9888 6.9888 7.3122 7.3122 9.6940 9.6940 k = 0.5488 0.4261 0.3445 ( 5278 PWs) bands (ev): -21.5873 -21.5873 -21.5746 -21.5746 -8.6361 -8.6361 -8.1860 -8.1860 -7.5900 -7.5900 -6.9924 -6.9924 -6.3894 -6.3894 -6.2208 -6.2208 -5.6685 -5.6685 -5.4522 -5.4522 -5.4028 -5.4028 -5.3378 -5.3378 -4.6618 -4.6618 0.1768 0.1768 0.5521 0.5521 0.6674 0.6674 1.8230 1.8230 1.9994 1.9994 2.7931 2.7931 3.4550 3.4550 3.7455 3.7455 3.8562 3.8562 3.9987 3.9987 4.2491 4.2491 5.2865 5.2865 6.3760 6.3760 7.0138 7.0138 7.3086 7.3086 9.6811 9.6811 k = 0.5390 0.4185 0.3625 ( 5284 PWs) bands (ev): -21.5874 -21.5874 -21.5745 -21.5745 -8.6411 -8.6411 -8.1735 -8.1735 -7.5834 -7.5834 -7.0122 -7.0122 -6.3912 -6.3912 -6.2212 -6.2212 -5.6706 -5.6706 -5.4516 -5.4516 -5.4035 -5.4035 -5.3365 -5.3365 -4.6497 -4.6497 0.1551 0.1551 0.5505 0.5505 0.6662 0.6662 1.8581 1.8581 1.9889 1.9889 2.7936 2.7936 3.4578 3.4578 3.7549 3.7549 3.8501 3.8501 4.0005 4.0005 4.2845 4.2845 5.1962 5.1962 6.3839 6.3839 7.0339 7.0339 7.3055 7.3055 9.6694 9.6694 k = 0.5293 0.4110 0.3805 ( 5286 PWs) bands (ev): -21.5875 -21.5875 -21.5745 -21.5745 -8.6451 -8.6451 -8.1633 -8.1633 -7.5781 -7.5781 -7.0281 -7.0281 -6.3927 -6.3927 -6.2215 -6.2215 -5.6722 -5.6722 -5.4512 -5.4512 -5.4041 -5.4041 -5.3355 -5.3355 -4.6401 -4.6401 0.1378 0.1378 0.5493 0.5493 0.6653 0.6653 1.8806 1.8806 1.9862 1.9862 2.7945 2.7945 3.4598 3.4598 3.7633 3.7633 3.8437 3.8437 4.0022 4.0022 4.3206 4.3206 5.1162 5.1162 6.3900 6.3900 7.0494 7.0494 7.3029 7.3029 9.6596 9.6596 k = 0.5195 0.4034 0.3985 ( 5286 PWs) bands (ev): -21.5875 -21.5875 -21.5744 -21.5744 -8.6480 -8.6480 -8.1558 -8.1558 -7.5742 -7.5742 -7.0398 -7.0398 -6.3937 -6.3937 -6.2217 -6.2217 -5.6733 -5.6733 -5.4509 -5.4509 -5.4046 -5.4046 -5.3348 -5.3348 -4.6331 -4.6331 0.1252 0.1252 0.5486 0.5486 0.6647 0.6647 1.8916 1.8916 1.9897 1.9897 2.7956 2.7956 3.4610 3.4610 3.7705 3.7705 3.8378 3.8378 4.0037 4.0037 4.3533 4.3533 5.0514 5.0514 6.3944 6.3944 7.0603 7.0603 7.3010 7.3010 9.6523 9.6523 k = 0.5098 0.3958 0.4164 ( 5286 PWs) bands (ev): -21.5876 -21.5876 -21.5744 -21.5744 -8.6497 -8.6497 -8.1512 -8.1512 -7.5719 -7.5719 -7.0469 -7.0469 -6.3943 -6.3943 -6.2218 -6.2218 -5.6740 -5.6740 -5.4507 -5.4507 -5.4049 -5.4049 -5.3344 -5.3344 -4.6289 -4.6289 0.1176 0.1176 0.5482 0.5482 0.6644 0.6644 1.8954 1.8954 1.9947 1.9947 2.7965 2.7965 3.4617 3.4617 3.7755 3.7755 3.8334 3.8334 4.0047 4.0047 4.3771 4.3771 5.0082 5.0082 6.3970 6.3970 7.0667 7.0667 7.2998 7.2998 9.6477 9.6477 k = 0.5000 0.3882 0.4344 ( 5286 PWs) bands (ev): -21.5876 -21.5876 -21.5744 -21.5744 -8.6503 -8.6503 -8.1497 -8.1497 -7.5711 -7.5711 -7.0493 -7.0493 -6.3945 -6.3945 -6.2219 -6.2219 -5.6742 -5.6742 -5.4507 -5.4507 -5.4050 -5.4050 -5.3343 -5.3343 -4.6275 -4.6275 0.1150 0.1150 0.5480 0.5480 0.6643 0.6643 1.8963 1.8963 1.9969 1.9969 2.7968 2.7968 3.4619 3.4619 3.7774 3.7774 3.8317 3.8317 4.0050 4.0050 4.3859 4.3859 4.9928 4.9928 6.3979 6.3979 7.0689 7.0689 7.2994 7.2994 9.6462 9.6462 k = 0.5000 0.3882 0.4344 ( 5286 PWs) bands (ev): -21.5876 -21.5876 -21.5744 -21.5744 -8.6503 -8.6503 -8.1497 -8.1497 -7.5711 -7.5711 -7.0493 -7.0493 -6.3945 -6.3945 -6.2219 -6.2219 -5.6742 -5.6742 -5.4507 -5.4507 -5.4050 -5.4050 -5.3343 -5.3343 -4.6275 -4.6275 0.1150 0.1150 0.5480 0.5480 0.6643 0.6643 1.8963 1.8963 1.9969 1.9969 2.7968 2.7968 3.4619 3.4619 3.7774 3.7774 3.8317 3.8317 4.0050 4.0050 4.3859 4.3859 4.9928 4.9928 6.3979 6.3979 7.0689 7.0689 7.2994 7.2994 9.6462 9.6462 k = 0.5130 0.3715 0.4344 ( 5284 PWs) bands (ev): -21.5876 -21.5876 -21.5744 -21.5744 -8.6499 -8.6499 -8.1499 -8.1499 -7.5718 -7.5718 -7.0489 -7.0489 -6.3940 -6.3940 -6.2221 -6.2221 -5.6738 -5.6738 -5.4507 -5.4507 -5.4051 -5.4051 -5.3345 -5.3345 -4.6282 -4.6282 0.1156 0.1156 0.5482 0.5482 0.6642 0.6642 1.8967 1.8967 1.9967 1.9967 2.7948 2.7948 3.4618 3.4618 3.7643 3.7643 3.8458 3.8458 4.0064 4.0064 4.3856 4.3856 4.9926 4.9926 6.4004 6.4004 7.0693 7.0693 7.2979 7.2979 9.6468 9.6468 k = 0.5260 0.3547 0.4344 ( 5284 PWs) bands (ev): -21.5875 -21.5875 -21.5744 -21.5744 -8.6488 -8.6488 -8.1506 -8.1506 -7.5740 -7.5740 -7.0476 -7.0476 -6.3924 -6.3924 -6.2225 -6.2225 -5.6723 -5.6723 -5.4508 -5.4508 -5.4051 -5.4051 -5.3353 -5.3353 -4.6303 -4.6303 0.1174 0.1174 0.5486 0.5486 0.6638 0.6638 1.8977 1.8977 1.9967 1.9967 2.7892 2.7892 3.4613 3.4613 3.7410 3.7410 3.8724 3.8724 4.0106 4.0106 4.3846 4.3846 4.9919 4.9919 6.4079 6.4079 7.0706 7.0706 7.2933 7.2933 9.6486 9.6486 k = 0.5391 0.3379 0.4344 ( 5282 PWs) bands (ev): -21.5875 -21.5875 -21.5744 -21.5744 -8.6469 -8.6469 -8.1518 -8.1518 -7.5777 -7.5777 -7.0455 -7.0455 -6.3898 -6.3898 -6.2233 -6.2233 -5.6700 -5.6700 -5.4510 -5.4510 -5.4053 -5.4053 -5.3366 -5.3366 -4.6338 -4.6338 0.1204 0.1204 0.5493 0.5493 0.6634 0.6634 1.8984 1.8984 1.9977 1.9977 2.7800 2.7800 3.4598 3.4598 3.7178 3.7178 3.9010 3.9010 4.0179 4.0179 4.3831 4.3831 4.9908 4.9908 6.4203 6.4203 7.0728 7.0728 7.2857 7.2857 9.6516 9.6516 k = 0.5521 0.3212 0.4344 ( 5286 PWs) bands (ev): -21.5874 -21.5874 -21.5745 -21.5745 -8.6442 -8.6442 -8.1534 -8.1534 -7.5827 -7.5827 -7.0424 -7.0424 -6.3863 -6.3863 -6.2244 -6.2244 -5.6667 -5.6667 -5.4513 -5.4513 -5.4055 -5.4055 -5.3383 -5.3383 -4.6386 -4.6386 0.1245 0.1245 0.5500 0.5500 0.6629 0.6629 1.8974 1.8974 2.0012 2.0012 2.7676 2.7676 3.4564 3.4564 3.6978 3.6978 3.9285 3.9285 4.0289 4.0289 4.3811 4.3811 4.9894 4.9894 6.4371 6.4371 7.0757 7.0757 7.2755 7.2755 9.6556 9.6556 k = 0.5651 0.3044 0.4344 ( 5288 PWs) bands (ev): -21.5874 -21.5874 -21.5746 -21.5746 -8.6407 -8.6407 -8.1555 -8.1555 -7.5891 -7.5891 -7.0383 -7.0383 -6.3820 -6.3820 -6.2258 -6.2258 -5.6625 -5.6625 -5.4516 -5.4516 -5.4058 -5.4058 -5.3406 -5.3406 -4.6448 -4.6448 0.1297 0.1297 0.5508 0.5508 0.6625 0.6625 1.8933 1.8933 2.0086 2.0086 2.7527 2.7527 3.4502 3.4502 3.6824 3.6824 3.9532 3.9532 4.0441 4.0441 4.3788 4.3788 4.9878 4.9878 6.4580 6.4580 7.0794 7.0794 7.2628 7.2628 9.6605 9.6605 k = 0.5781 0.2876 0.4344 ( 5294 PWs) bands (ev): -21.5873 -21.5873 -21.5747 -21.5747 -8.6366 -8.6366 -8.1580 -8.1580 -7.5968 -7.5968 -7.0333 -7.0333 -6.3771 -6.3771 -6.2275 -6.2275 -5.6576 -5.6576 -5.4520 -5.4520 -5.4061 -5.4061 -5.3433 -5.3433 -4.6522 -4.6522 0.1360 0.1360 0.5515 0.5515 0.6624 0.6624 1.8856 1.8856 2.0205 2.0205 2.7355 2.7355 3.4402 3.4402 3.6724 3.6724 3.9743 3.9743 4.0636 4.0636 4.3763 4.3763 4.9860 4.9860 6.4824 6.4824 7.0836 7.0836 7.2481 7.2481 9.6660 9.6660 k = 0.5912 0.2708 0.4344 ( 5298 PWs) bands (ev): -21.5872 -21.5872 -21.5748 -21.5748 -8.6317 -8.6317 -8.1609 -8.1609 -7.6057 -7.6057 -7.0271 -7.0271 -6.3715 -6.3715 -6.2295 -6.2295 -5.6519 -5.6519 -5.4524 -5.4524 -5.4065 -5.4065 -5.3465 -5.3465 -4.6609 -4.6609 0.1434 0.1434 0.5519 0.5519 0.6624 0.6624 1.8746 1.8746 2.0368 2.0368 2.7169 2.7169 3.4266 3.4266 3.6681 3.6681 3.9921 3.9921 4.0862 4.0862 4.3740 4.3740 4.9843 4.9843 6.5096 6.5096 7.0882 7.0882 7.2319 7.2319 9.6718 9.6718 k = 0.6042 0.2541 0.4344 ( 5302 PWs) bands (ev): -21.5870 -21.5870 -21.5750 -21.5750 -8.6261 -8.6261 -8.1642 -8.1642 -7.6157 -7.6157 -7.0198 -7.0198 -6.3656 -6.3656 -6.2318 -6.2318 -5.6455 -5.6455 -5.4529 -5.4529 -5.4068 -5.4068 -5.3500 -5.3500 -4.6708 -4.6708 0.1517 0.1517 0.5521 0.5521 0.6628 0.6628 1.8611 1.8611 2.0567 2.0567 2.6972 2.6972 3.4097 3.4097 3.6686 3.6686 4.0076 4.0076 4.1102 4.1102 4.3721 4.3721 4.9828 4.9828 6.5388 6.5388 7.0928 7.0928 7.2149 7.2149 9.6774 9.6774 k = 0.6172 0.2373 0.4344 ( 5304 PWs) bands (ev): -21.5869 -21.5869 -21.5751 -21.5751 -8.6199 -8.6199 -8.1679 -8.1679 -7.6268 -7.6268 -7.0113 -7.0113 -6.3595 -6.3595 -6.2343 -6.2343 -5.6385 -5.6385 -5.4534 -5.4534 -5.4072 -5.4072 -5.3540 -5.3540 -4.6818 -4.6818 0.1609 0.1609 0.5519 0.5519 0.6634 0.6634 1.8457 1.8457 2.0796 2.0796 2.6772 2.6772 3.3907 3.3907 3.6730 3.6730 4.0217 4.0217 4.1337 4.1337 4.3712 4.3712 4.9818 4.9818 6.5692 6.5692 7.0967 7.0967 7.1985 7.1985 9.6819 9.6819 k = 0.6302 0.2205 0.4344 ( 5302 PWs) bands (ev): -21.5867 -21.5867 -21.5753 -21.5753 -8.6130 -8.6130 -8.1719 -8.1719 -7.6389 -7.6389 -7.0016 -7.0016 -6.3532 -6.3532 -6.2371 -6.2371 -5.6311 -5.6311 -5.4540 -5.4540 -5.4076 -5.4076 -5.3582 -5.3582 -4.6939 -4.6939 0.1710 0.1710 0.5515 0.5515 0.6641 0.6641 1.8293 1.8293 2.1047 2.1047 2.6575 2.6575 3.3705 3.3705 3.6802 3.6802 4.0350 4.0350 4.1551 4.1551 4.3715 4.3715 4.9815 4.9815 6.5997 6.5997 7.0986 7.0986 7.1842 7.1842 9.6812 9.6812 k = 0.6433 0.2037 0.4344 ( 5304 PWs) bands (ev): -21.5866 -21.5866 -21.5754 -21.5754 -8.6056 -8.6056 -8.1762 -8.1762 -7.6517 -7.6517 -6.9907 -6.9907 -6.3470 -6.3470 -6.2401 -6.2401 -5.6233 -5.6233 -5.4548 -5.4548 -5.4079 -5.4079 -5.3627 -5.3627 -4.7069 -4.7069 0.1819 0.1819 0.5508 0.5508 0.6647 0.6647 1.8125 1.8125 2.1315 2.1315 2.6386 2.6386 3.3500 3.3500 3.6893 3.6893 4.0478 4.0478 4.1733 4.1733 4.3737 4.3737 4.9821 4.9821 6.6293 6.6293 7.0968 7.0968 7.1747 7.1747 9.6691 9.6691 k = 0.6563 0.1870 0.4344 ( 5308 PWs) bands (ev): -21.5864 -21.5864 -21.5756 -21.5756 -8.5976 -8.5976 -8.1809 -8.1809 -7.6652 -7.6652 -6.9786 -6.9786 -6.3410 -6.3410 -6.2433 -6.2433 -5.6154 -5.6154 -5.4557 -5.4557 -5.4081 -5.4081 -5.3673 -5.3673 -4.7207 -4.7207 0.1935 0.1935 0.5500 0.5500 0.6650 0.6650 1.7956 1.7956 2.1593 2.1593 2.6211 2.6211 3.3299 3.3299 3.6995 3.6995 4.0603 4.0603 4.1875 4.1875 4.3779 4.3779 4.9837 4.9837 6.6568 6.6568 7.0899 7.0899 7.1716 7.1716 9.6537 9.6537 k = 0.6693 0.1702 0.4344 ( 5308 PWs) bands (ev): -21.5862 -21.5862 -21.5758 -21.5758 -8.5890 -8.5890 -8.1858 -8.1858 -7.6792 -7.6792 -6.9652 -6.9652 -6.3352 -6.3352 -6.2466 -6.2466 -5.6075 -5.6075 -5.4569 -5.4569 -5.4083 -5.4083 -5.3721 -5.3721 -4.7353 -4.7353 0.2056 0.2056 0.5493 0.5493 0.6648 0.6648 1.7791 1.7791 2.1876 2.1876 2.6057 2.6057 3.3109 3.3109 3.7102 3.7102 4.0725 4.0725 4.1973 4.1973 4.3840 4.3840 4.9866 4.9866 6.6812 6.6812 7.0793 7.0793 7.1743 7.1743 9.6389 9.6389 k = 0.6823 0.1534 0.4344 ( 5304 PWs) bands (ev): -21.5860 -21.5860 -21.5760 -21.5760 -8.5800 -8.5800 -8.1909 -8.1909 -7.6937 -7.6937 -6.9506 -6.9506 -6.3299 -6.3299 -6.2500 -6.2500 -5.5997 -5.5997 -5.4583 -5.4583 -5.4082 -5.4082 -5.3768 -5.3768 -4.7505 -4.7505 0.2183 0.2183 0.5486 0.5486 0.6638 0.6638 1.7632 1.7632 2.2157 2.2157 2.5930 2.5930 3.2936 3.2936 3.7210 3.7210 4.0843 4.0843 4.2032 4.2032 4.3914 4.3914 4.9909 4.9909 6.7013 6.7013 7.0675 7.0675 7.1810 7.1810 9.6258 9.6258 k = 0.6954 0.1367 0.4344 ( 5306 PWs) bands (ev): -21.5858 -21.5858 -21.5763 -21.5763 -8.5706 -8.5706 -8.1962 -8.1962 -7.7085 -7.7085 -6.9349 -6.9349 -6.3252 -6.3252 -6.2534 -6.2534 -5.5922 -5.5922 -5.4602 -5.4602 -5.4082 -5.4082 -5.3813 -5.3813 -4.7661 -4.7661 0.2314 0.2314 0.5480 0.5480 0.6620 0.6620 1.7481 1.7481 2.2431 2.2431 2.5835 2.5835 3.2784 3.2784 3.7316 3.7316 4.0955 4.0955 4.2059 4.2059 4.3993 4.3993 4.9965 4.9965 6.7164 6.7164 7.0564 7.0564 7.1900 7.1900 9.6145 9.6145 k = 0.7084 0.1199 0.4344 ( 5308 PWs) bands (ev): -21.5856 -21.5856 -21.5765 -21.5765 -8.5608 -8.5608 -8.2017 -8.2017 -7.7235 -7.7235 -6.9181 -6.9181 -6.3211 -6.3211 -6.2567 -6.2567 -5.5851 -5.5851 -5.4625 -5.4625 -5.4082 -5.4082 -5.3854 -5.3854 -4.7819 -4.7819 0.2448 0.2448 0.5475 0.5475 0.6594 0.6594 1.7338 1.7338 2.2692 2.2692 2.5777 2.5777 3.2657 3.2657 3.7417 3.7417 4.1059 4.1059 4.2063 4.2063 4.4070 4.4070 5.0035 5.0035 6.7261 6.7261 7.0468 7.0468 7.2005 7.2005 9.6052 9.6052 k = 0.7214 0.1031 0.4344 ( 5308 PWs) bands (ev): -21.5854 -21.5854 -21.5767 -21.5767 -8.5506 -8.5506 -8.2073 -8.2073 -7.7385 -7.7385 -6.9002 -6.9002 -6.3177 -6.3177 -6.2599 -6.2599 -5.5786 -5.5786 -5.4654 -5.4654 -5.4086 -5.4086 -5.3888 -5.3888 -4.7978 -4.7978 0.2583 0.2583 0.5470 0.5470 0.6560 0.6560 1.7202 1.7202 2.2937 2.2937 2.5761 2.5761 3.2559 3.2559 3.7510 3.7510 4.1151 4.1151 4.2054 4.2054 4.4136 4.4136 5.0115 5.0115 6.7305 6.7305 7.0388 7.0388 7.2120 7.2120 9.5977 9.5977 k = 0.7344 0.0863 0.4344 ( 5306 PWs) bands (ev): -21.5851 -21.5851 -21.5770 -21.5770 -8.5402 -8.5402 -8.2130 -8.2130 -7.7535 -7.7535 -6.8813 -6.8813 -6.3153 -6.3153 -6.2629 -6.2629 -5.5727 -5.5727 -5.4688 -5.4688 -5.4097 -5.4097 -5.3912 -5.3912 -4.8136 -4.8136 0.2718 0.2718 0.5464 0.5464 0.6521 0.6521 1.7073 1.7073 2.3160 2.3160 2.5787 2.5787 3.2495 3.2495 3.7596 3.7596 4.1229 4.1229 4.2040 4.2040 4.4190 4.4190 5.0204 5.0204 6.7301 6.7301 7.0318 7.0318 7.2241 7.2241 9.5917 9.5917 k = 0.2656-0.3420 0.7403 ( 5306 PWs) bands (ev): -21.5851 -21.5851 -21.5770 -21.5770 -8.5402 -8.5402 -8.2130 -8.2130 -7.7535 -7.7535 -6.8813 -6.8813 -6.3153 -6.3153 -6.2629 -6.2629 -5.5727 -5.5727 -5.4688 -5.4688 -5.4097 -5.4097 -5.3912 -5.3912 -4.8136 -4.8136 0.2718 0.2718 0.5464 0.5464 0.6521 0.6521 1.7073 1.7073 2.3160 2.3160 2.5787 2.5787 3.2495 3.2495 3.7596 3.7596 4.1229 4.1229 4.2040 4.2040 4.4190 4.4190 5.0204 5.0204 6.7301 6.7301 7.0318 7.0318 7.2241 7.2241 9.5917 9.5917 k = 0.2523-0.3249 0.7403 ( 5298 PWs) bands (ev): -21.5849 -21.5849 -21.5772 -21.5772 -8.5294 -8.5294 -8.2188 -8.2188 -7.7686 -7.7686 -6.8611 -6.8611 -6.3139 -6.3139 -6.2655 -6.2655 -5.5675 -5.5675 -5.4729 -5.4729 -5.4117 -5.4117 -5.3924 -5.3924 -4.8293 -4.8293 0.2854 0.2854 0.5456 0.5456 0.6482 0.6482 1.6945 1.6945 2.3366 2.3366 2.5859 2.5859 3.2466 3.2466 3.7673 3.7673 4.1288 4.1288 4.2028 4.2028 4.4231 4.4231 5.0300 5.0300 6.7258 6.7258 7.0249 7.0249 7.2370 7.2370 9.5867 9.5867 k = 0.2390-0.3078 0.7403 ( 5302 PWs) bands (ev): -21.5847 -21.5847 -21.5774 -21.5774 -8.5184 -8.5184 -8.2247 -8.2247 -7.7835 -7.7835 -6.8400 -6.8400 -6.3136 -6.3136 -6.2677 -6.2677 -5.5630 -5.5630 -5.4775 -5.4775 -5.4145 -5.4145 -5.3929 -5.3929 -4.8444 -4.8444 0.2986 0.2986 0.5441 0.5441 0.6447 0.6447 1.6820 1.6820 2.3549 2.3549 2.5972 2.5972 3.2477 3.2477 3.7739 3.7739 4.1324 4.1324 4.2024 4.2024 4.4258 4.4258 5.0396 5.0396 6.7183 6.7183 7.0172 7.0172 7.2502 7.2502 9.5816 9.5816 k = 0.2257-0.2907 0.7403 ( 5304 PWs) bands (ev): -21.5844 -21.5844 -21.5777 -21.5777 -8.5074 -8.5074 -8.2306 -8.2306 -7.7980 -7.7980 -6.8181 -6.8181 -6.3144 -6.3144 -6.2694 -6.2694 -5.5594 -5.5594 -5.4826 -5.4826 -5.4176 -5.4176 -5.3931 -5.3931 -4.8587 -4.8587 0.3110 0.3110 0.5419 0.5419 0.6422 0.6422 1.6695 1.6695 2.3711 2.3711 2.6123 2.6123 3.2529 3.2529 3.7795 3.7795 4.1336 4.1336 4.2028 4.2028 4.4275 4.4275 5.0490 5.0490 6.7086 6.7086 7.0080 7.0080 7.2638 7.2638 9.5716 9.5716 k = 0.2125-0.2736 0.7403 ( 5306 PWs) bands (ev): -21.5842 -21.5842 -21.5779 -21.5779 -8.4963 -8.4963 -8.2365 -8.2365 -7.8121 -7.8121 -6.7955 -6.7955 -6.3162 -6.3162 -6.2707 -6.2707 -5.5566 -5.5566 -5.4882 -5.4882 -5.4208 -5.4208 -5.3936 -5.3936 -4.8719 -4.8719 0.3224 0.3224 0.5389 0.5389 0.6412 0.6412 1.6569 1.6569 2.3853 2.3853 2.6309 2.6309 3.2620 3.2620 3.7838 3.7838 4.1329 4.1329 4.2036 4.2036 4.4286 4.4286 5.0576 5.0576 6.6968 6.6968 6.9971 6.9971 7.2778 7.2778 9.5459 9.5459 k = 0.1992-0.2565 0.7403 ( 5302 PWs) bands (ev): -21.5840 -21.5840 -21.5781 -21.5781 -8.4853 -8.4853 -8.2423 -8.2423 -7.8257 -7.8257 -6.7723 -6.7723 -6.3188 -6.3188 -6.2719 -6.2719 -5.5546 -5.5546 -5.4940 -5.4940 -5.4240 -5.4240 -5.3946 -5.3946 -4.8839 -4.8839 0.3324 0.3324 0.5355 0.5355 0.6420 0.6420 1.6440 1.6440 2.3975 2.3975 2.6526 2.6526 3.2748 3.2748 3.7871 3.7871 4.1308 4.1308 4.2043 4.2043 4.4295 4.4295 5.0653 5.0653 6.6830 6.6830 6.9847 6.9847 7.2923 7.2923 9.5098 9.5098 k = 0.1859-0.2394 0.7403 ( 5304 PWs) bands (ev): -21.5838 -21.5838 -21.5784 -21.5784 -8.4744 -8.4744 -8.2479 -8.2479 -7.8387 -7.8387 -6.7486 -6.7486 -6.3220 -6.3220 -6.2731 -6.2731 -5.5534 -5.5534 -5.5001 -5.5001 -5.4271 -5.4271 -5.3964 -5.3964 -4.8944 -4.8944 0.3404 0.3404 0.5322 0.5322 0.6445 0.6445 1.6309 1.6309 2.4076 2.4076 2.6774 2.6774 3.2908 3.2908 3.7893 3.7893 4.1279 4.1279 4.2042 4.2042 4.4306 4.4306 5.0719 5.0719 6.6668 6.6668 6.9714 6.9714 7.3073 7.3073 9.4687 9.4687 k = 0.1726-0.2223 0.7403 ( 5312 PWs) bands (ev): -21.5836 -21.5836 -21.5786 -21.5786 -8.4638 -8.4638 -8.2535 -8.2535 -7.8511 -7.8511 -6.7246 -6.7246 -6.3255 -6.3255 -6.2745 -6.2745 -5.5530 -5.5530 -5.5062 -5.5062 -5.4300 -5.4300 -5.3991 -5.3991 -4.9034 -4.9034 0.3462 0.3462 0.5296 0.5296 0.6484 0.6484 1.6176 1.6176 2.4155 2.4155 2.7050 2.7050 3.3096 3.3096 3.7906 3.7906 4.1246 4.1246 4.2028 4.2028 4.4322 4.4322 5.0771 5.0771 6.6479 6.6479 6.9582 6.9582 7.3227 7.3227 9.4245 9.4245 k = 0.1593-0.2052 0.7403 ( 5308 PWs) bands (ev): -21.5834 -21.5834 -21.5788 -21.5788 -8.4534 -8.4534 -8.2589 -8.2589 -7.8627 -7.8627 -6.7004 -6.7004 -6.3293 -6.3293 -6.2762 -6.2762 -5.5534 -5.5534 -5.5124 -5.5124 -5.4328 -5.4328 -5.4025 -5.4025 -4.9109 -4.9109 0.3493 0.3493 0.5286 0.5286 0.6536 0.6536 1.6042 1.6042 2.4213 2.4213 2.7353 2.7353 3.3304 3.3304 3.7910 3.7910 4.1212 4.1212 4.1999 4.1999 4.4345 4.4345 5.0810 5.0810 6.6256 6.6256 6.9461 6.9461 7.3385 7.3385 9.3782 9.3782 k = 0.1461-0.1881 0.7403 ( 5308 PWs) bands (ev): -21.5832 -21.5832 -21.5790 -21.5790 -8.4434 -8.4434 -8.2641 -8.2641 -7.8736 -7.8736 -6.6762 -6.6762 -6.3332 -6.3332 -6.2783 -6.2783 -5.5546 -5.5546 -5.5184 -5.5184 -5.4353 -5.4353 -5.4067 -5.4067 -4.9169 -4.9169 0.3497 0.3497 0.5293 0.5293 0.6596 0.6596 1.5909 1.5909 2.4250 2.4250 2.7678 2.7678 3.3524 3.3524 3.7908 3.7908 4.1181 4.1181 4.1954 4.1954 4.4377 4.4377 5.0837 5.0837 6.5997 6.5997 6.9360 6.9360 7.3546 7.3546 9.3308 9.3308 k = 0.1328-0.1710 0.7403 ( 5306 PWs) bands (ev): -21.5830 -21.5830 -21.5792 -21.5792 -8.4338 -8.4338 -8.2691 -8.2691 -7.8837 -7.8837 -6.6521 -6.6521 -6.3370 -6.3370 -6.2810 -6.2810 -5.5564 -5.5564 -5.5244 -5.5244 -5.4377 -5.4377 -5.4114 -5.4114 -4.9215 -4.9215 0.3476 0.3476 0.5319 0.5319 0.6662 0.6662 1.5778 1.5778 2.4268 2.4268 2.8020 2.8020 3.3749 3.3749 3.7901 3.7901 4.1152 4.1152 4.1896 4.1896 4.4415 4.4415 5.0854 5.0854 6.5706 6.5706 6.9282 6.9282 7.3708 7.3708 9.2834 9.2834 k = 0.1195-0.1539 0.7403 ( 5306 PWs) bands (ev): -21.5828 -21.5828 -21.5793 -21.5793 -8.4246 -8.4246 -8.2738 -8.2738 -7.8930 -7.8930 -6.6284 -6.6284 -6.3407 -6.3407 -6.2842 -6.2842 -5.5589 -5.5589 -5.5302 -5.5302 -5.4400 -5.4400 -5.4163 -5.4163 -4.9248 -4.9248 0.3436 0.3436 0.5361 0.5361 0.6731 0.6731 1.5652 1.5652 2.4272 2.4272 2.8371 2.8371 3.3971 3.3971 3.7891 3.7891 4.1127 4.1127 4.1826 4.1826 4.4459 4.4459 5.0860 5.0860 6.5388 6.5388 6.9229 6.9229 7.3868 7.3868 9.2371 9.2371 k = 0.1062-0.1368 0.7403 ( 5302 PWs) bands (ev): -21.5827 -21.5827 -21.5795 -21.5795 -8.4161 -8.4161 -8.2783 -8.2783 -7.9013 -7.9013 -6.6053 -6.6053 -6.3442 -6.3442 -6.2880 -6.2880 -5.5620 -5.5620 -5.5357 -5.5357 -5.4420 -5.4420 -5.4212 -5.4212 -4.9271 -4.9271 0.3383 0.3383 0.5414 0.5414 0.6800 0.6800 1.5532 1.5532 2.4263 2.4263 2.8723 2.8723 3.4182 3.4182 3.7880 3.7880 4.1107 4.1107 4.1748 4.1748 4.4507 4.4507 5.0859 5.0859 6.5055 6.5055 6.9198 6.9198 7.4024 7.4024 9.1926 9.1926 k = 0.0930-0.1197 0.7403 ( 5304 PWs) bands (ev): -21.5826 -21.5826 -21.5796 -21.5796 -8.4082 -8.4082 -8.2825 -8.2825 -7.9088 -7.9088 -6.5830 -6.5830 -6.3474 -6.3474 -6.2925 -6.2925 -5.5655 -5.5655 -5.5409 -5.5409 -5.4437 -5.4437 -5.4259 -5.4259 -4.9284 -4.9284 0.3323 0.3323 0.5473 0.5473 0.6868 0.6868 1.5421 1.5421 2.4247 2.4247 2.9067 2.9067 3.4375 3.4375 3.7872 3.7872 4.1090 4.1090 4.1666 4.1666 4.4556 4.4556 5.0853 5.0853 6.4720 6.4720 6.9185 6.9185 7.4174 7.4174 9.1511 9.1511 k = 0.0797-0.1026 0.7403 ( 5308 PWs) bands (ev): -21.5824 -21.5824 -21.5797 -21.5797 -8.4011 -8.4011 -8.2864 -8.2864 -7.9153 -7.9153 -6.5620 -6.5620 -6.3502 -6.3502 -6.2974 -6.2974 -5.5692 -5.5692 -5.5458 -5.5458 -5.4453 -5.4453 -5.4301 -5.4301 -4.9292 -4.9292 0.3261 0.3261 0.5533 0.5533 0.6930 0.6930 1.5320 1.5320 2.4226 2.4226 2.9394 2.9394 3.4546 3.4546 3.7866 3.7866 4.1078 4.1078 4.1584 4.1584 4.4603 4.4603 5.0843 5.0843 6.4395 6.4395 6.9184 6.9184 7.4313 7.4313 9.1133 9.1133 k = 0.0664-0.0855 0.7403 ( 5312 PWs) bands (ev): -21.5823 -21.5823 -21.5799 -21.5799 -8.3947 -8.3947 -8.2899 -8.2899 -7.9208 -7.9208 -6.5426 -6.5426 -6.3527 -6.3527 -6.3028 -6.3028 -5.5730 -5.5730 -5.5501 -5.5501 -5.4465 -5.4465 -5.4338 -5.4338 -4.9294 -4.9294 0.3203 0.3203 0.5590 0.5590 0.6987 0.6987 1.5232 1.5232 2.4203 2.4203 2.9692 2.9692 3.4691 3.4691 3.7864 3.7864 4.1070 4.1070 4.1505 4.1505 4.4648 4.4648 5.0831 5.0831 6.4095 6.4095 6.9192 6.9192 7.4438 7.4438 9.0800 9.0800 k = 0.0531-0.0684 0.7403 ( 5318 PWs) bands (ev): -21.5823 -21.5823 -21.5799 -21.5799 -8.3893 -8.3893 -8.2929 -8.2929 -7.9254 -7.9254 -6.5252 -6.5252 -6.3547 -6.3547 -6.3083 -6.3083 -5.5766 -5.5766 -5.5537 -5.5537 -5.4475 -5.4475 -5.4369 -5.4369 -4.9294 -4.9294 0.3151 0.3151 0.5641 0.5641 0.7036 0.7036 1.5157 1.5157 2.4181 2.4181 2.9954 2.9954 3.4806 3.4806 3.7866 3.7866 4.1066 4.1066 4.1432 4.1432 4.4687 4.4687 5.0819 5.0819 6.3831 6.3831 6.9203 6.9203 7.4545 7.4545 9.0518 9.0518 k = 0.0398-0.0513 0.7403 ( 5322 PWs) bands (ev): -21.5822 -21.5822 -21.5800 -21.5800 -8.3849 -8.3849 -8.2954 -8.2954 -7.9290 -7.9290 -6.5105 -6.5105 -6.3563 -6.3563 -6.3135 -6.3135 -5.5798 -5.5798 -5.5566 -5.5566 -5.4481 -5.4481 -5.4394 -5.4394 -4.9292 -4.9292 0.3108 0.3108 0.5683 0.5683 0.7075 0.7075 1.5097 1.5097 2.4161 2.4161 3.0170 3.0170 3.4894 3.4894 3.7871 3.7871 4.1066 4.1066 4.1370 4.1370 4.4719 4.4719 5.0809 5.0809 6.3614 6.3614 6.9215 6.9215 7.4633 7.4633 9.0293 9.0293 k = 0.0266-0.0342 0.7403 ( 5322 PWs) bands (ev): -21.5822 -21.5822 -21.5801 -21.5801 -8.3817 -8.3817 -8.2973 -8.2973 -7.9315 -7.9315 -6.4992 -6.4992 -6.3574 -6.3574 -6.3180 -6.3180 -5.5823 -5.5823 -5.5587 -5.5587 -5.4485 -5.4485 -5.4412 -5.4412 -4.9290 -4.9290 0.3076 0.3076 0.5714 0.5714 0.7104 0.7104 1.5054 1.5054 2.4146 2.4146 3.0330 3.0330 3.4954 3.4954 3.7877 3.7877 4.1068 4.1068 4.1321 4.1321 4.4743 4.4743 5.0801 5.0801 6.3452 6.3452 6.9225 6.9225 7.4697 7.4697 9.0129 9.0129 k = 0.0133-0.0171 0.7403 ( 5314 PWs) bands (ev): -21.5821 -21.5821 -21.5801 -21.5801 -8.3797 -8.3797 -8.2985 -8.2985 -7.9331 -7.9331 -6.4920 -6.4920 -6.3580 -6.3580 -6.3211 -6.3211 -5.5839 -5.5839 -5.5599 -5.5599 -5.4487 -5.4487 -5.4423 -5.4423 -4.9289 -4.9289 0.3057 0.3057 0.5733 0.5733 0.7122 0.7122 1.5027 1.5027 2.4137 2.4137 3.0430 3.0430 3.4988 3.4988 3.7882 3.7882 4.1071 4.1071 4.1289 4.1289 4.4758 4.4758 5.0795 5.0795 6.3353 6.3353 6.9232 6.9232 7.4737 7.4737 9.0030 9.0030 k = 0.0000 0.0000 0.7403 ( 5312 PWs) bands (ev): -21.5821 -21.5821 -21.5801 -21.5801 -8.3790 -8.3790 -8.2989 -8.2989 -7.9336 -7.9336 -6.4895 -6.4895 -6.3582 -6.3582 -6.3222 -6.3222 -5.5844 -5.5844 -5.5603 -5.5603 -5.4488 -5.4488 -5.4427 -5.4427 -4.9288 -4.9288 0.3050 0.3050 0.5740 0.5740 0.7128 0.7128 1.5018 1.5018 2.4133 2.4133 3.0463 3.0463 3.5000 3.5000 3.7883 3.7883 4.1072 4.1072 4.1278 4.1278 4.4763 4.4763 5.0794 5.0794 6.3319 6.3319 6.9234 6.9234 7.4750 7.4750 8.9997 8.9997 k = 0.0000 0.0000 0.7403 ( 5312 PWs) bands (ev): -21.5821 -21.5821 -21.5801 -21.5801 -8.3790 -8.3790 -8.2989 -8.2989 -7.9336 -7.9336 -6.4895 -6.4895 -6.3582 -6.3582 -6.3222 -6.3222 -5.5844 -5.5844 -5.5603 -5.5603 -5.4488 -5.4488 -5.4427 -5.4427 -4.9288 -4.9288 0.3050 0.3050 0.5740 0.5740 0.7128 0.7128 1.5018 1.5018 2.4133 2.4133 3.0463 3.0463 3.5000 3.5000 3.7883 3.7883 4.1072 4.1072 4.1278 4.1278 4.4763 4.4763 5.0794 5.0794 6.3319 6.3319 6.9234 6.9234 7.4750 7.4750 8.9997 8.9997 k = 0.0176 0.0137 0.7403 ( 5312 PWs) bands (ev): -21.5821 -21.5821 -21.5801 -21.5801 -8.3791 -8.3791 -8.2997 -8.2997 -7.9329 -7.9329 -6.4900 -6.4900 -6.3582 -6.3582 -6.3216 -6.3216 -5.5844 -5.5844 -5.5597 -5.5597 -5.4509 -5.4509 -5.4403 -5.4403 -4.9289 -4.9289 0.3056 0.3056 0.5746 0.5746 0.7135 0.7135 1.4978 1.4978 2.4155 2.4155 3.0456 3.0456 3.4998 3.4998 3.7875 3.7875 4.0887 4.0887 4.1433 4.1433 4.4754 4.4754 5.0829 5.0829 6.3324 6.3324 6.9230 6.9230 7.4738 7.4738 9.0012 9.0012 k = 0.0352 0.0273 0.7403 ( 5314 PWs) bands (ev): -21.5822 -21.5822 -21.5800 -21.5800 -8.3795 -8.3795 -8.3024 -8.3024 -7.9308 -7.9308 -6.4914 -6.4914 -6.3580 -6.3580 -6.3199 -6.3199 -5.5843 -5.5843 -5.5580 -5.5580 -5.4544 -5.4544 -5.4362 -5.4362 -4.9293 -4.9293 0.3075 0.3075 0.5765 0.5765 0.7155 0.7155 1.4859 1.4859 2.4219 2.4219 3.0435 3.0435 3.4991 3.4991 3.7848 3.7848 4.0609 4.0609 4.1623 4.1623 4.4727 4.4727 5.0935 5.0935 6.3338 6.3338 6.9216 6.9216 7.4700 7.4700 9.0059 9.0059 k = 0.0528 0.0410 0.7403 ( 5312 PWs) bands (ev): -21.5823 -21.5823 -21.5799 -21.5799 -8.3801 -8.3801 -8.3067 -8.3067 -7.9274 -7.9274 -6.4937 -6.4937 -6.3576 -6.3576 -6.3172 -6.3172 -5.5840 -5.5840 -5.5552 -5.5552 -5.4578 -5.4578 -5.4316 -5.4316 -4.9299 -4.9299 0.3105 0.3105 0.5796 0.5796 0.7188 0.7188 1.4667 1.4667 2.4318 2.4318 3.0400 3.0400 3.4979 3.4979 3.7801 3.7801 4.0314 4.0314 4.1779 4.1779 4.4680 4.4680 5.1107 5.1107 6.3363 6.3363 6.9192 6.9192 7.4639 7.4639 9.0136 9.0136 k = 0.0704 0.0546 0.7403 ( 5324 PWs) bands (ev): -21.5824 -21.5824 -21.5799 -21.5799 -8.3809 -8.3809 -8.3127 -8.3127 -7.9226 -7.9226 -6.4968 -6.4968 -6.3571 -6.3571 -6.3135 -6.3135 -5.5836 -5.5836 -5.5515 -5.5515 -5.4609 -5.4609 -5.4269 -5.4269 -4.9307 -4.9307 0.3147 0.3147 0.5839 0.5839 0.7236 0.7236 1.4411 1.4411 2.4442 2.4442 3.0352 3.0352 3.4961 3.4961 3.7733 3.7733 4.0021 4.0021 4.1893 4.1893 4.4613 4.4613 5.1343 5.1343 6.3399 6.3399 6.9155 6.9155 7.4558 7.4558 9.0240 9.0240 k = 0.0879 0.0683 0.7403 ( 5323 PWs) bands (ev): -21.5825 -21.5825 -21.5797 -21.5797 -8.3819 -8.3819 -8.3203 -8.3203 -7.9164 -7.9164 -6.5008 -6.5008 -6.3563 -6.3563 -6.3091 -6.3091 -5.5830 -5.5830 -5.5470 -5.5470 -5.4634 -5.4634 -5.4221 -5.4221 -4.9317 -4.9317 0.3201 0.3201 0.5892 0.5892 0.7298 0.7298 1.4101 1.4101 2.4582 2.4582 3.0292 3.0292 3.4935 3.4935 3.7640 3.7640 3.9743 3.9743 4.1964 4.1964 4.4525 4.4525 5.1636 5.1636 6.3449 6.3449 6.9102 6.9102 7.4460 7.4460 9.0372 9.0372 k = 0.1055 0.0819 0.7403 ( 5324 PWs) bands (ev): -21.5826 -21.5826 -21.5796 -21.5796 -8.3832 -8.3832 -8.3294 -8.3294 -7.9089 -7.9089 -6.5054 -6.5054 -6.3554 -6.3554 -6.3041 -6.3041 -5.5824 -5.5824 -5.5418 -5.5418 -5.4653 -5.4653 -5.4174 -5.4174 -4.9328 -4.9328 0.3266 0.3266 0.5955 0.5955 0.7375 0.7375 1.3746 1.3746 2.4725 2.4725 3.0220 3.0220 3.4900 3.4900 3.7523 3.7523 3.9491 3.9491 4.1994 4.1994 4.4414 4.4414 5.1979 5.1979 6.3514 6.3514 6.9029 6.9029 7.4350 7.4350 9.0529 9.0529 k = 0.1231 0.0956 0.7403 ( 5324 PWs) bands (ev): -21.5828 -21.5828 -21.5795 -21.5795 -8.3845 -8.3845 -8.3400 -8.3400 -7.9000 -7.9000 -6.5106 -6.5106 -6.3543 -6.3543 -6.2985 -6.2985 -5.5817 -5.5817 -5.5361 -5.5361 -5.4664 -5.4664 -5.4126 -5.4126 -4.9340 -4.9340 0.3342 0.3342 0.6026 0.6026 0.7468 0.7468 1.3358 1.3358 2.4861 2.4861 3.0137 3.0137 3.4853 3.4853 3.7382 3.7382 3.9275 3.9275 4.1983 4.1983 4.4281 4.4281 5.2367 5.2367 6.3595 6.3595 6.8933 6.8933 7.4234 7.4234 9.0709 9.0709 k = 0.1407 0.1093 0.7403 ( 5316 PWs) bands (ev): -21.5829 -21.5829 -21.5793 -21.5793 -8.3860 -8.3860 -8.3520 -8.3520 -7.8898 -7.8898 -6.5164 -6.5164 -6.3531 -6.3531 -6.2926 -6.2926 -5.5811 -5.5811 -5.5300 -5.5300 -5.4666 -5.4666 -5.4079 -5.4079 -4.9353 -4.9353 0.3429 0.3429 0.6104 0.6104 0.7577 0.7577 1.2944 1.2944 2.4981 2.4981 3.0045 3.0045 3.4790 3.4790 3.7224 3.7224 3.9097 3.9097 4.1936 4.1936 4.4128 4.4128 5.2792 5.2792 6.3693 6.3693 6.8807 6.8807 7.4117 7.4117 9.0912 9.0912 k = 0.1583 0.1229 0.7403 ( 5316 PWs) bands (ev): -21.5831 -21.5831 -21.5791 -21.5791 -8.3876 -8.3876 -8.3652 -8.3652 -7.8782 -7.8782 -6.5227 -6.5227 -6.3518 -6.3518 -6.2865 -6.2865 -5.5807 -5.5807 -5.5236 -5.5236 -5.4659 -5.4659 -5.4032 -5.4032 -4.9367 -4.9367 0.3525 0.3525 0.6188 0.6188 0.7703 0.7703 1.2512 1.2512 2.5078 2.5078 2.9943 2.9943 3.4710 3.4710 3.7059 3.7059 3.8954 3.8954 4.1855 4.1855 4.3955 4.3955 5.3249 5.3249 6.3809 6.3809 6.8649 6.8649 7.4005 7.4005 9.1136 9.1136 k = 0.1759 0.1366 0.7403 ( 5311 PWs) bands (ev): -21.5833 -21.5833 -21.5790 -21.5790 -8.3892 -8.3892 -8.3795 -8.3795 -7.8654 -7.8654 -6.5295 -6.5295 -6.3504 -6.3504 -6.2802 -6.2802 -5.5806 -5.5806 -5.5171 -5.5171 -5.4641 -5.4641 -5.3986 -5.3986 -4.9380 -4.9380 0.3630 0.3630 0.6277 0.6277 0.7848 0.7848 1.2068 1.2068 2.5147 2.5147 2.9834 2.9834 3.4610 3.4610 3.6898 3.6898 3.8843 3.8843 4.1745 4.1745 4.3766 4.3766 5.3734 5.3734 6.3941 6.3941 6.8453 6.8453 7.3904 7.3904 9.1381 9.1381 k = 0.1935 0.1502 0.7403 ( 5314 PWs) bands (ev): -21.5834 -21.5834 -21.5788 -21.5788 -8.3952 -8.3952 -8.3906 -8.3906 -7.8511 -7.8511 -6.5366 -6.5366 -6.3490 -6.3490 -6.2739 -6.2739 -5.5809 -5.5809 -5.5106 -5.5106 -5.4612 -5.4612 -5.3941 -5.3941 -4.9392 -4.9392 0.3744 0.3744 0.6368 0.6368 0.8010 0.8010 1.1619 1.1619 2.5183 2.5183 2.9717 2.9717 3.4489 3.4489 3.6750 3.6750 3.8757 3.8757 4.1610 4.1610 4.3561 4.3561 5.4242 5.4242 6.4086 6.4086 6.8220 6.8220 7.3816 7.3816 9.1650 9.1650 k = 0.2111 0.1639 0.7403 ( 5315 PWs) bands (ev): -21.5836 -21.5836 -21.5787 -21.5787 -8.4114 -8.4114 -8.3923 -8.3923 -7.8356 -7.8356 -6.5441 -6.5441 -6.3477 -6.3477 -6.2677 -6.2677 -5.5817 -5.5817 -5.5042 -5.5042 -5.4574 -5.4574 -5.3897 -5.3897 -4.9402 -4.9402 0.3866 0.3866 0.6460 0.6460 0.8190 0.8190 1.1170 1.1170 2.5186 2.5186 2.9595 2.9595 3.4345 3.4345 3.6622 3.6622 3.8689 3.8689 4.1454 4.1454 4.3344 4.3344 5.4770 5.4770 6.4239 6.4239 6.7949 6.7949 7.3745 7.3745 9.1943 9.1943 k = 0.2287 0.1776 0.7403 ( 5311 PWs) bands (ev): -21.5838 -21.5838 -21.5785 -21.5785 -8.4286 -8.4286 -8.3939 -8.3939 -7.8188 -7.8188 -6.5519 -6.5519 -6.3465 -6.3465 -6.2616 -6.2616 -5.5829 -5.5829 -5.4978 -5.4978 -5.4528 -5.4528 -5.3853 -5.3853 -4.9410 -4.9410 0.3994 0.3994 0.6553 0.6553 0.8389 0.8389 1.0724 1.0724 2.5155 2.5155 2.9469 2.9469 3.4179 3.4179 3.6517 3.6517 3.8635 3.8635 4.1283 4.1283 4.3118 4.3118 5.5316 5.5316 6.4394 6.4394 6.7646 6.7646 7.3690 7.3690 9.2263 9.2263 k = 0.2463 0.1912 0.7403 ( 5309 PWs) bands (ev): -21.5840 -21.5840 -21.5783 -21.5783 -8.4465 -8.4465 -8.3953 -8.3953 -7.8007 -7.8007 -6.5599 -6.5599 -6.3454 -6.3454 -6.2556 -6.2556 -5.5845 -5.5845 -5.4916 -5.4916 -5.4476 -5.4476 -5.3810 -5.3810 -4.9415 -4.9415 0.4128 0.4128 0.6646 0.6646 0.8604 0.8604 1.0288 1.0288 2.5094 2.5094 2.9339 2.9339 3.3993 3.3993 3.6432 3.6432 3.8592 3.8592 4.1101 4.1101 4.2889 4.2889 5.5877 5.5877 6.4537 6.4537 6.7322 6.7322 7.3652 7.3652 9.2610 9.2610 k = 0.2638 0.2049 0.7403 ( 5308 PWs) bands (ev): -21.5842 -21.5842 -21.5781 -21.5781 -8.4649 -8.4649 -8.3965 -8.3965 -7.7814 -7.7814 -6.5682 -6.5682 -6.3445 -6.3445 -6.2500 -6.2500 -5.5867 -5.5867 -5.4854 -5.4854 -5.4421 -5.4421 -5.3767 -5.3767 -4.9417 -4.9417 0.4267 0.4267 0.6736 0.6736 0.8829 0.8829 0.9869 0.9869 2.5005 2.5005 2.9208 2.9208 3.3787 3.3787 3.6367 3.6367 3.8555 3.8555 4.0912 4.0912 4.2660 4.2660 5.6451 5.6451 6.4647 6.4647 6.6997 6.6997 7.3627 7.3627 9.2986 9.2986 k = 0.2814 0.2185 0.7403 ( 5304 PWs) bands (ev): -21.5844 -21.5844 -21.5780 -21.5780 -8.4839 -8.4839 -8.3976 -8.3976 -7.7608 -7.7608 -6.5768 -6.5768 -6.3439 -6.3439 -6.2446 -6.2446 -5.5893 -5.5893 -5.4794 -5.4794 -5.4366 -5.4366 -5.3725 -5.3725 -4.9414 -4.9414 0.4410 0.4410 0.6824 0.6824 0.9030 0.9030 0.9507 0.9507 2.4894 2.4894 2.9077 2.9077 3.3561 3.3561 3.6317 3.6317 3.8521 3.8521 4.0722 4.0722 4.2439 4.2439 5.7036 5.7036 6.4686 6.4686 6.6709 6.6709 7.3612 7.3612 9.3390 9.3390 k = 0.2990 0.2322 0.7403 ( 5302 PWs) bands (ev): -21.5845 -21.5845 -21.5778 -21.5778 -8.5033 -8.5033 -8.3984 -8.3984 -7.7390 -7.7390 -6.5855 -6.5855 -6.3435 -6.3435 -6.2396 -6.2396 -5.5922 -5.5922 -5.4735 -5.4735 -5.4314 -5.4314 -5.3683 -5.3683 -4.9407 -4.9407 0.4555 0.4555 0.6907 0.6907 0.8930 0.8930 0.9478 0.9478 2.4765 2.4765 2.8947 2.8947 3.3316 3.3316 3.6278 3.6278 3.8487 3.8487 4.0534 4.0534 4.2232 4.2232 5.7629 5.7629 6.4601 6.4601 6.6512 6.6512 7.3604 7.3604 9.3818 9.3818 k = 0.3166 0.2458 0.7403 ( 5300 PWs) bands (ev): -21.5847 -21.5847 -21.5776 -21.5776 -8.5229 -8.5229 -8.3989 -8.3989 -7.7160 -7.7160 -6.5945 -6.5945 -6.3434 -6.3434 -6.2349 -6.2349 -5.5955 -5.5955 -5.4678 -5.4678 -5.4265 -5.4265 -5.3642 -5.3642 -4.9394 -4.9394 0.4700 0.4700 0.6985 0.6985 0.8586 0.8586 0.9728 0.9728 2.4623 2.4623 2.8821 2.8821 3.3052 3.3052 3.6246 3.6246 3.8452 3.8452 4.0350 4.0350 4.2046 4.2046 5.8226 5.8226 6.4356 6.4356 6.6441 6.6441 7.3600 7.3600 9.4266 9.4266 k = 0.3342 0.2595 0.7403 ( 5302 PWs) bands (ev): -21.5849 -21.5849 -21.5774 -21.5774 -8.5427 -8.5427 -8.3991 -8.3991 -7.6918 -7.6918 -6.6036 -6.6036 -6.3436 -6.3436 -6.2307 -6.2307 -5.5991 -5.5991 -5.4623 -5.4623 -5.4223 -5.4223 -5.3602 -5.3602 -4.9377 -4.9377 0.4845 0.4845 0.7054 0.7054 0.8232 0.8232 1.0029 1.0029 2.4474 2.4474 2.8699 2.8699 3.2769 3.2769 3.6216 3.6216 3.8414 3.8414 4.0174 4.0174 4.1889 4.1889 5.8823 5.8823 6.3974 6.3974 6.6480 6.6480 7.3595 7.3595 9.4721 9.4721 k = 0.5000 0.3882-0.3059 ( 5296 PWs) bands (ev): -21.5843 -21.5843 -21.5798 -21.5798 -8.8413 -8.8413 -8.6424 -8.6424 -7.0137 -7.0137 -6.3261 -6.3261 -6.2346 -6.2346 -6.1962 -6.1962 -5.7329 -5.7329 -5.4251 -5.4251 -5.4093 -5.4093 -5.3611 -5.3611 -5.2772 -5.2772 0.3661 0.3661 0.9731 0.9731 1.3066 1.3066 1.6908 1.6908 2.2435 2.2435 2.2578 2.2578 2.6644 2.6644 3.2405 3.2405 3.7712 3.7712 4.0005 4.0005 4.2357 4.2357 5.3831 5.3831 6.6417 6.6417 6.6959 6.6959 6.9450 6.9450 8.6766 8.6766 k = 0.5128 0.3717-0.3059 ( 5298 PWs) bands (ev): -21.5843 -21.5843 -21.5797 -21.5797 -8.8420 -8.8420 -8.6415 -8.6415 -7.0135 -7.0135 -6.3261 -6.3261 -6.2349 -6.2349 -6.1963 -6.1963 -5.7329 -5.7329 -5.4257 -5.4257 -5.4089 -5.4089 -5.3612 -5.3612 -5.2771 -5.2771 0.3661 0.3661 0.9735 0.9735 1.3042 1.3042 1.6918 1.6918 2.2468 2.2468 2.2574 2.2574 2.6653 2.6653 3.2394 3.2394 3.7707 3.7707 3.9994 3.9994 4.2345 4.2345 5.3827 5.3827 6.6426 6.6426 6.6985 6.6985 6.9452 6.9452 8.6802 8.6802 k = 0.5256 0.3552-0.3059 ( 5300 PWs) bands (ev): -21.5844 -21.5844 -21.5797 -21.5797 -8.8440 -8.8440 -8.6387 -8.6387 -7.0130 -7.0130 -6.3262 -6.3262 -6.2360 -6.2360 -6.1967 -6.1967 -5.7329 -5.7329 -5.4273 -5.4273 -5.4080 -5.4080 -5.3614 -5.3614 -5.2768 -5.2768 0.3662 0.3662 0.9747 0.9747 1.2972 1.2972 1.6947 1.6947 2.2547 2.2547 2.2580 2.2580 2.6680 2.6680 3.2359 3.2359 3.7691 3.7691 3.9961 3.9961 4.2309 4.2309 5.3818 5.3818 6.6457 6.6457 6.7060 6.7060 6.9461 6.9461 8.6909 8.6909 k = 0.5384 0.3387-0.3059 ( 5296 PWs) bands (ev): -21.5844 -21.5844 -21.5797 -21.5797 -8.8472 -8.8472 -8.6343 -8.6343 -7.0122 -7.0122 -6.3263 -6.3263 -6.2378 -6.2378 -6.1973 -6.1973 -5.7328 -5.7328 -5.4296 -5.4296 -5.4069 -5.4069 -5.3616 -5.3616 -5.2762 -5.2762 0.3664 0.3664 0.9765 0.9765 1.2861 1.2861 1.6996 1.6996 2.2531 2.2531 2.2731 2.2731 2.6726 2.6726 3.2303 3.2303 3.7666 3.7666 3.9906 3.9906 4.2253 4.2253 5.3802 5.3802 6.6511 6.6511 6.7173 6.7173 6.9482 6.9482 8.7085 8.7085 k = 0.5513 0.3222-0.3059 ( 5308 PWs) bands (ev): -21.5845 -21.5845 -21.5796 -21.5796 -8.8514 -8.8514 -8.6283 -8.6283 -7.0111 -7.0111 -6.3265 -6.3265 -6.2402 -6.2402 -6.1982 -6.1982 -5.7328 -5.7328 -5.4322 -5.4322 -5.4058 -5.4058 -5.3620 -5.3620 -5.2754 -5.2754 0.3666 0.3666 0.9787 0.9787 1.2717 1.2717 1.7063 1.7063 2.2498 2.2498 2.2946 2.2946 2.6789 2.6789 3.2225 3.2225 3.7633 3.7633 3.9825 3.9825 4.2183 4.2183 5.3779 5.3779 6.6592 6.6592 6.7307 6.7307 6.9525 6.9525 8.7326 8.7326 k = 0.5641 0.3057-0.3059 ( 5310 PWs) bands (ev): -21.5846 -21.5846 -21.5795 -21.5795 -8.8566 -8.8566 -8.6210 -8.6210 -7.0096 -7.0096 -6.3268 -6.3268 -6.2431 -6.2431 -6.1995 -6.1995 -5.7327 -5.7327 -5.4352 -5.4352 -5.4050 -5.4050 -5.3626 -5.3626 -5.2743 -5.2743 0.3670 0.3670 0.9808 0.9808 1.2550 1.2550 1.7149 1.7149 2.2453 2.2453 2.3210 2.3210 2.6870 2.6870 3.2127 3.2127 3.7592 3.7592 3.9719 3.9719 4.2105 4.2105 5.3749 5.3749 6.6698 6.6698 6.7447 6.7447 6.9602 6.9602 8.7629 8.7629 k = 0.4359-0.5614 0.0000 ( 5310 PWs) bands (ev): -21.5846 -21.5846 -21.5795 -21.5795 -8.8566 -8.8566 -8.6210 -8.6210 -7.0096 -7.0096 -6.3268 -6.3268 -6.2431 -6.2431 -6.1995 -6.1995 -5.7327 -5.7327 -5.4352 -5.4352 -5.4050 -5.4050 -5.3626 -5.3626 -5.2743 -5.2743 0.3670 0.3670 0.9808 0.9808 1.2550 1.2550 1.7149 1.7149 2.2453 2.2453 2.3210 2.3210 2.6870 2.6870 3.2127 3.2127 3.7592 3.7592 3.9719 3.9719 4.2105 4.2105 5.3749 5.3749 6.6698 6.6698 6.7447 6.7447 6.9602 6.9602 8.7629 8.7629 k = 0.4223-0.5439 0.0000 ( 5310 PWs) bands (ev): -21.5847 -21.5847 -21.5794 -21.5794 -8.8627 -8.8627 -8.6120 -8.6120 -7.0077 -7.0077 -6.3272 -6.3272 -6.2468 -6.2468 -6.2011 -6.2011 -5.7326 -5.7326 -5.4384 -5.4384 -5.4043 -5.4043 -5.3634 -5.3634 -5.2730 -5.2730 0.3674 0.3674 0.9823 0.9823 1.2360 1.2360 1.7259 1.7259 2.2395 2.2395 2.3534 2.3534 2.6973 2.6973 3.2003 3.2003 3.7543 3.7543 3.9579 3.9579 4.2018 4.2018 5.3710 5.3710 6.6838 6.6838 6.7583 6.7583 6.9735 6.9735 8.8014 8.8014 k = 0.4087-0.5263 0.0000 ( 5304 PWs) bands (ev): -21.5848 -21.5848 -21.5793 -21.5793 -8.8695 -8.8695 -8.6019 -8.6019 -7.0055 -7.0055 -6.3277 -6.3277 -6.2509 -6.2509 -6.2031 -6.2031 -5.7324 -5.7324 -5.4416 -5.4416 -5.4041 -5.4041 -5.3643 -5.3643 -5.2715 -5.2715 0.3681 0.3681 0.9820 0.9820 1.2174 1.2174 1.7389 1.7389 2.2326 2.2326 2.3895 2.3895 2.7094 2.7094 3.1861 3.1861 3.7492 3.7492 3.9412 3.9412 4.1933 4.1933 5.3664 5.3664 6.6997 6.6997 6.7698 6.7698 6.9927 6.9927 8.8458 8.8458 k = 0.3951-0.5088 0.0000 ( 5302 PWs) bands (ev): -21.5850 -21.5850 -21.5791 -21.5791 -8.8766 -8.8766 -8.5909 -8.5909 -7.0029 -7.0029 -6.3284 -6.3284 -6.2555 -6.2555 -6.2054 -6.2054 -5.7323 -5.7323 -5.4448 -5.4448 -5.4043 -5.4043 -5.3654 -5.3654 -5.2698 -5.2698 0.3689 0.3689 0.9789 0.9789 1.2009 1.2009 1.7539 1.7539 2.2247 2.2247 2.4282 2.4282 2.7232 2.7232 3.1703 3.1703 3.7441 3.7441 3.9223 3.9223 4.1853 4.1853 5.3611 5.3611 6.7165 6.7165 6.7797 6.7797 7.0175 7.0175 8.8953 8.8953 k = 0.3814-0.4912 0.0000 ( 5308 PWs) bands (ev): -21.5852 -21.5852 -21.5790 -21.5790 -8.8841 -8.8841 -8.5791 -8.5791 -7.0001 -7.0001 -6.3293 -6.3293 -6.2604 -6.2604 -6.2080 -6.2080 -5.7321 -5.7321 -5.4479 -5.4479 -5.4050 -5.4050 -5.3667 -5.3667 -5.2680 -5.2680 0.3698 0.3698 0.9716 0.9716 1.1879 1.1879 1.7707 1.7707 2.2158 2.2158 2.4686 2.4686 2.7384 2.7384 3.1533 3.1533 3.7394 3.7394 3.9018 3.9018 4.1777 4.1777 5.3551 5.3551 6.7318 6.7318 6.7905 6.7905 7.0467 7.0467 8.9494 8.9494 k = 0.3678-0.4737 0.0000 ( 5304 PWs) bands (ev): -21.5853 -21.5853 -21.5788 -21.5788 -8.8916 -8.8916 -8.5668 -8.5668 -6.9969 -6.9969 -6.3306 -6.3306 -6.2654 -6.2654 -6.2109 -6.2109 -5.7319 -5.7319 -5.4509 -5.4509 -5.4061 -5.4061 -5.3681 -5.3681 -5.2662 -5.2662 0.3710 0.3710 0.9595 0.9595 1.1796 1.1796 1.7893 1.7893 2.2062 2.2062 2.5098 2.5098 2.7550 2.7550 3.1353 3.1353 3.7357 3.7357 3.8805 3.8805 4.1705 4.1705 5.3487 5.3487 6.7429 6.7429 6.8056 6.8056 7.0783 7.0783 9.0073 9.0073 k = 0.3542-0.4561 0.0000 ( 5311 PWs) bands (ev): -21.5855 -21.5855 -21.5786 -21.5786 -8.8993 -8.8993 -8.5539 -8.5539 -6.9935 -6.9935 -6.3324 -6.3324 -6.2705 -6.2705 -6.2140 -6.2140 -5.7317 -5.7317 -5.4537 -5.4537 -5.4076 -5.4076 -5.3697 -5.3697 -5.2644 -5.2644 0.3724 0.3724 0.9425 0.9425 1.1759 1.1759 1.8097 1.8097 2.1961 2.1961 2.5509 2.5509 2.7728 2.7728 3.1168 3.1168 3.7333 3.7333 3.8589 3.8589 4.1635 4.1635 5.3417 5.3417 6.7491 6.7491 6.8266 6.8266 7.1105 7.1105 9.0684 9.0684 k = 0.3406-0.4386 0.0000 ( 5309 PWs) bands (ev): -21.5858 -21.5858 -21.5784 -21.5784 -8.9069 -8.9069 -8.5407 -8.5407 -6.9898 -6.9898 -6.3346 -6.3346 -6.2756 -6.2756 -6.2173 -6.2173 -5.7316 -5.7316 -5.4562 -5.4562 -5.4095 -5.4095 -5.3712 -5.3712 -5.2627 -5.2627 0.3740 0.3740 0.9215 0.9215 1.1761 1.1761 1.8318 1.8318 2.1859 2.1859 2.5907 2.5907 2.7918 2.7918 3.0983 3.0983 3.7327 3.7327 3.8379 3.8379 4.1566 4.1566 5.3345 5.3345 6.7521 6.7521 6.8520 6.8520 7.1418 7.1418 9.1319 9.1319 k = 0.3269-0.4211 0.0000 ( 5295 PWs) bands (ev): -21.5860 -21.5860 -21.5782 -21.5782 -8.9144 -8.9144 -8.5272 -8.5272 -6.9859 -6.9859 -6.3376 -6.3376 -6.2805 -6.2805 -6.2206 -6.2206 -5.7315 -5.7315 -5.4586 -5.4586 -5.4117 -5.4117 -5.3728 -5.3728 -5.2613 -5.2613 0.3759 0.3759 0.8978 0.8978 1.1787 1.1787 1.8556 1.8556 2.1759 2.1759 2.6281 2.6281 2.8119 2.8119 3.0804 3.0804 3.7338 3.7338 3.8184 3.8184 4.1498 4.1498 5.3269 5.3269 6.7538 6.7538 6.8803 6.8803 7.1707 7.1707 9.1968 9.1968 k = 0.3133-0.4035 0.0000 ( 5299 PWs) bands (ev): -21.5862 -21.5862 -21.5780 -21.5780 -8.9218 -8.9218 -8.5136 -8.5136 -6.9818 -6.9818 -6.3413 -6.3413 -6.2851 -6.2851 -6.2239 -6.2239 -5.7315 -5.7315 -5.4606 -5.4606 -5.4141 -5.4141 -5.3744 -5.3744 -5.2601 -5.2601 0.3780 0.3780 0.8722 0.8722 1.1825 1.1825 1.8809 1.8809 2.1666 2.1666 2.6617 2.6617 2.8328 2.8328 3.0641 3.0641 3.7362 3.7362 3.8018 3.8018 4.1428 4.1428 5.3192 5.3192 6.7553 6.7553 6.9103 6.9103 7.1961 7.1961 9.2619 9.2619 k = 0.2997-0.3860 0.0000 ( 5297 PWs) bands (ev): -21.5865 -21.5865 -21.5777 -21.5777 -8.9291 -8.9291 -8.4998 -8.4998 -6.9775 -6.9775 -6.3460 -6.3460 -6.2893 -6.2893 -6.2270 -6.2270 -5.7316 -5.7316 -5.4624 -5.4624 -5.4168 -5.4168 -5.3760 -5.3760 -5.2592 -5.2592 0.3802 0.3802 0.8458 0.8458 1.1865 1.1865 1.9077 1.9077 2.1587 2.1587 2.6903 2.6903 2.8538 2.8538 3.0509 3.0509 3.7372 3.7372 3.7913 3.7913 4.1358 4.1358 5.3113 5.3113 6.7574 6.7574 6.9412 6.9412 7.2174 7.2174 9.3243 9.3243 k = 0.2861-0.3684 0.0000 ( 5309 PWs) bands (ev): -21.5867 -21.5867 -21.5775 -21.5775 -8.9361 -8.9361 -8.4859 -8.4859 -6.9730 -6.9730 -6.3515 -6.3515 -6.2931 -6.2931 -6.2300 -6.2300 -5.7319 -5.7319 -5.4639 -5.4639 -5.4195 -5.4195 -5.3776 -5.3776 -5.2587 -5.2587 0.3827 0.3827 0.8192 0.8192 1.1896 1.1896 1.9360 1.9360 2.1525 2.1525 2.7129 2.7129 2.8728 2.8728 3.0431 3.0431 3.7323 3.7323 3.7918 3.7918 4.1289 4.1289 5.3033 5.3033 6.7604 6.7604 6.9723 6.9723 7.2340 7.2340 9.3057 9.3057 k = 0.2725-0.3509 0.0000 ( 5315 PWs) bands (ev): -21.5870 -21.5870 -21.5773 -21.5773 -8.9430 -8.9430 -8.4721 -8.4721 -6.9684 -6.9684 -6.3579 -6.3579 -6.2965 -6.2965 -6.2328 -6.2328 -5.7324 -5.7324 -5.4650 -5.4650 -5.4223 -5.4223 -5.3792 -5.3792 -5.2586 -5.2586 0.3854 0.3854 0.7929 0.7929 1.1911 1.1911 1.9654 1.9654 2.1488 2.1488 2.7291 2.7291 2.8868 2.8868 3.0440 3.0440 3.7217 3.7217 3.8032 3.8032 4.1221 4.1221 5.2953 5.2953 6.7644 6.7644 7.0028 7.0028 7.2459 7.2459 9.2223 9.2223 k = 0.2588-0.3333 0.0000 ( 5309 PWs) bands (ev): -21.5873 -21.5873 -21.5770 -21.5770 -8.9495 -8.9495 -8.4583 -8.4583 -6.9637 -6.9637 -6.3650 -6.3650 -6.2996 -6.2996 -6.2351 -6.2351 -5.7331 -5.7331 -5.4657 -5.4657 -5.4250 -5.4250 -5.3808 -5.3808 -5.2590 -5.2590 0.3882 0.3882 0.7672 0.7672 1.1905 1.1905 1.9960 1.9960 2.1481 2.1481 2.7390 2.7390 2.8931 2.8931 3.0558 3.0558 3.7089 3.7089 3.8219 3.8219 4.1160 4.1160 5.2872 5.2872 6.7695 6.7695 7.0317 7.0317 7.2536 7.2536 9.1385 9.1385 k = 0.2452-0.3158 0.0000 ( 5317 PWs) bands (ev): -21.5876 -21.5876 -21.5768 -21.5768 -8.9559 -8.9559 -8.4447 -8.4447 -6.9589 -6.9589 -6.3728 -6.3728 -6.3024 -6.3024 -6.2372 -6.2372 -5.7340 -5.7340 -5.4661 -5.4661 -5.4275 -5.4275 -5.3824 -5.3824 -5.2599 -5.2599 0.3911 0.3911 0.7424 0.7424 1.1874 1.1874 2.0274 2.0274 2.1508 2.1508 2.7430 2.7430 2.8924 2.8924 3.0772 3.0772 3.6960 3.6960 3.8451 3.8451 4.1111 4.1111 5.2793 5.2793 6.7756 6.7756 7.0575 7.0575 7.2584 7.2584 9.0557 9.0557 k = 0.2316-0.2982 0.0000 ( 5317 PWs) bands (ev): -21.5878 -21.5878 -21.5765 -21.5765 -8.9619 -8.9619 -8.4313 -8.4313 -6.9541 -6.9541 -6.3811 -6.3811 -6.3051 -6.3051 -6.2388 -6.2388 -5.7353 -5.7353 -5.4660 -5.4660 -5.4298 -5.4298 -5.3840 -5.3840 -5.2613 -5.2613 0.3942 0.3942 0.7186 0.7186 1.1816 1.1816 2.0594 2.0594 2.1574 2.1574 2.7415 2.7415 2.8874 2.8874 3.1048 3.1048 3.6838 3.6838 3.8709 3.8709 4.1084 4.1084 5.2713 5.2713 6.7826 6.7826 7.0781 7.0781 7.2623 7.2623 8.9746 8.9746 k = 0.2180-0.2807 0.0000 ( 5317 PWs) bands (ev): -21.5881 -21.5881 -21.5763 -21.5763 -8.9677 -8.9677 -8.4182 -8.4182 -6.9492 -6.9492 -6.3898 -6.3898 -6.3078 -6.3078 -6.2400 -6.2400 -5.7368 -5.7368 -5.4655 -5.4655 -5.4319 -5.4319 -5.3856 -5.3856 -5.2632 -5.2632 0.3972 0.3972 0.6960 0.6960 1.1732 1.1732 2.0914 2.0914 2.1683 2.1683 2.7353 2.7353 2.8804 2.8804 3.1355 3.1355 3.6725 3.6725 3.8967 3.8967 4.1097 4.1097 5.2635 5.2635 6.7903 6.7903 7.0908 7.0908 7.2683 7.2683 8.8959 8.8959 k = 0.2043-0.2632 0.0000 ( 5325 PWs) bands (ev): -21.5883 -21.5883 -21.5760 -21.5760 -8.9731 -8.9731 -8.4055 -8.4055 -6.9443 -6.9443 -6.3987 -6.3987 -6.3104 -6.3104 -6.2409 -6.2409 -5.7385 -5.7385 -5.4646 -5.4646 -5.4337 -5.4337 -5.3871 -5.3871 -5.2656 -5.2656 0.4003 0.4003 0.6747 0.6747 1.1624 1.1624 2.1226 2.1226 2.1842 2.1842 2.7254 2.7254 2.8723 2.8723 3.1674 3.1674 3.6625 3.6625 3.9195 3.9195 4.1174 4.1174 5.2558 5.2558 6.7981 6.7981 7.0934 7.0934 7.2791 7.2791 8.8199 8.8199 k = 0.1907-0.2456 0.0000 ( 5323 PWs) bands (ev): -21.5886 -21.5886 -21.5758 -21.5758 -8.9783 -8.9783 -8.3931 -8.3931 -6.9395 -6.9395 -6.4076 -6.4076 -6.3130 -6.3130 -6.2413 -6.2413 -5.7405 -5.7405 -5.4633 -5.4633 -5.4351 -5.4351 -5.3887 -5.3887 -5.2685 -5.2685 0.4033 0.4033 0.6548 0.6548 1.1494 1.1494 2.1521 2.1521 2.2055 2.2055 2.7127 2.7127 2.8637 2.8637 3.1991 3.1991 3.6538 3.6538 3.9360 3.9360 4.1345 4.1345 5.2483 5.2483 6.8055 6.8055 7.0865 7.0865 7.2953 7.2953 8.7470 8.7470 k = 0.1771-0.2281 0.0000 ( 5319 PWs) bands (ev): -21.5888 -21.5888 -21.5756 -21.5756 -8.9831 -8.9831 -8.3813 -8.3813 -6.9348 -6.9348 -6.4166 -6.4166 -6.3156 -6.3156 -6.2415 -6.2415 -5.7428 -5.7428 -5.4615 -5.4615 -5.4362 -5.4362 -5.3902 -5.3902 -5.2718 -5.2718 0.4062 0.4062 0.6363 0.6363 1.1347 1.1347 2.1795 2.1795 2.2320 2.2320 2.6982 2.6982 2.8543 2.8543 3.2298 3.2298 3.6464 3.6464 3.9442 3.9442 4.1620 4.1620 5.2411 5.2411 6.8113 6.8113 7.0727 7.0727 7.3155 7.3155 8.6775 8.6775 k = 0.1635-0.2105 0.0000 ( 5315 PWs) bands (ev): -21.5891 -21.5891 -21.5753 -21.5753 -8.9876 -8.9876 -8.3700 -8.3700 -6.9302 -6.9302 -6.4254 -6.4254 -6.3181 -6.3181 -6.2414 -6.2414 -5.7452 -5.7452 -5.4595 -5.4595 -5.4370 -5.4370 -5.3916 -5.3916 -5.2756 -5.2756 0.4091 0.4091 0.6192 0.6192 1.1187 1.1187 2.2056 2.2056 2.2625 2.2625 2.6826 2.6826 2.8440 2.8440 3.2591 3.2591 3.6403 3.6403 3.9451 3.9451 4.1986 4.1986 5.2340 5.2340 6.8138 6.8138 7.0562 7.0562 7.3380 7.3380 8.6116 8.6116 k = 0.1498-0.1930 0.0000 ( 5319 PWs) bands (ev): -21.5893 -21.5893 -21.5751 -21.5751 -8.9918 -8.9918 -8.3593 -8.3593 -6.9257 -6.9257 -6.4340 -6.4340 -6.3206 -6.3206 -6.2411 -6.2411 -5.7477 -5.7477 -5.4571 -5.4571 -5.4373 -5.4373 -5.3930 -5.3930 -5.2797 -5.2797 0.4118 0.4118 0.6035 0.6035 1.1020 1.1020 2.2313 2.2313 2.2952 2.2952 2.6665 2.6665 2.8327 2.8327 3.2867 3.2867 3.6354 3.6354 3.9404 3.9404 4.2415 4.2415 5.2273 5.2273 6.8106 6.8106 7.0413 7.0413 7.3611 7.3611 8.5495 8.5495 k = 0.1362-0.1754 0.0000 ( 5325 PWs) bands (ev): -21.5895 -21.5895 -21.5749 -21.5749 -8.9957 -8.9957 -8.3492 -8.3492 -6.9214 -6.9214 -6.4422 -6.4422 -6.3230 -6.3230 -6.2406 -6.2406 -5.7503 -5.7503 -5.4546 -5.4546 -5.4373 -5.4373 -5.3943 -5.3943 -5.2842 -5.2842 0.4143 0.4143 0.5893 0.5893 1.0850 1.0850 2.2574 2.2574 2.3287 2.3287 2.6503 2.6503 2.8203 2.8203 3.3123 3.3123 3.6317 3.6317 3.9322 3.9322 4.2882 4.2882 5.2209 5.2209 6.7995 6.7995 7.0319 7.0319 7.3838 7.3838 8.4913 8.4913 k = 0.1226-0.1579 0.0000 ( 5319 PWs) bands (ev): -21.5897 -21.5897 -21.5748 -21.5748 -8.9992 -8.9992 -8.3399 -8.3399 -6.9174 -6.9174 -6.4500 -6.4500 -6.3253 -6.3253 -6.2400 -6.2400 -5.7529 -5.7529 -5.4521 -5.4521 -5.4368 -5.4368 -5.3955 -5.3955 -5.2889 -5.2889 0.4167 0.4167 0.5765 0.5765 1.0682 1.0682 2.2838 2.2838 2.3622 2.3622 2.6344 2.6344 2.8067 2.8067 3.3358 3.3358 3.6292 3.6292 3.9216 3.9216 4.3367 4.3367 5.2150 5.2150 6.7797 6.7797 7.0301 7.0301 7.4055 7.4055 8.4372 8.4372 k = 0.1090-0.1404 0.0000 ( 5321 PWs) bands (ev): -21.5899 -21.5899 -21.5746 -21.5746 -9.0023 -9.0023 -8.3314 -8.3314 -6.9136 -6.9136 -6.4573 -6.4573 -6.3275 -6.3275 -6.2393 -6.2393 -5.7554 -5.7554 -5.4498 -5.4498 -5.4358 -5.4358 -5.3965 -5.3965 -5.2938 -5.2938 0.4188 0.4188 0.5651 0.5651 1.0521 1.0521 2.3106 2.3106 2.3949 2.3949 2.6190 2.6190 2.7921 2.7921 3.3571 3.3571 3.6277 3.6277 3.9096 3.9096 4.3854 4.3854 5.2095 5.2095 6.7527 6.7527 7.0354 7.0354 7.4257 7.4257 8.3871 8.3871 k = 0.0954-0.1228 0.0000 ( 5329 PWs) bands (ev): -21.5900 -21.5900 -21.5744 -21.5744 -9.0051 -9.0051 -8.3237 -8.3237 -6.9101 -6.9101 -6.4640 -6.4640 -6.3295 -6.3295 -6.2387 -6.2387 -5.7578 -5.7578 -5.4477 -5.4477 -5.4343 -5.4343 -5.3972 -5.3972 -5.2988 -5.2988 0.4208 0.4208 0.5551 0.5551 1.0370 1.0370 2.3373 2.3373 2.4264 2.4264 2.6042 2.6042 2.7766 2.7766 3.3761 3.3761 3.6271 3.6271 3.8969 3.8969 4.4327 4.4327 5.2046 5.2046 6.7212 6.7212 7.0460 7.0460 7.4440 7.4440 8.3413 8.3413 k = 0.0817-0.1053 0.0000 ( 5327 PWs) bands (ev): -21.5902 -21.5902 -21.5743 -21.5743 -9.0075 -9.0075 -8.3170 -8.3170 -6.9070 -6.9070 -6.4699 -6.4699 -6.3313 -6.3313 -6.2380 -6.2380 -5.7600 -5.7600 -5.4461 -5.4461 -5.4324 -5.4324 -5.3976 -5.3976 -5.3037 -5.3037 0.4225 0.4225 0.5465 0.5465 1.0232 1.0232 2.3638 2.3638 2.4562 2.4562 2.5900 2.5900 2.7602 2.7602 3.3928 3.3928 3.6273 3.6273 3.8840 3.8840 4.4774 4.4774 5.2002 5.2002 6.6881 6.6881 7.0599 7.0599 7.4602 7.4602 8.2998 8.2998 k = 0.0681-0.0877 0.0000 ( 5319 PWs) bands (ev): -21.5903 -21.5903 -21.5742 -21.5742 -9.0095 -9.0095 -8.3112 -8.3112 -6.9043 -6.9043 -6.4751 -6.4751 -6.3329 -6.3329 -6.2373 -6.2373 -5.7620 -5.7620 -5.4449 -5.4449 -5.4304 -5.4304 -5.3977 -5.3977 -5.3085 -5.3085 0.4240 0.4240 0.5392 0.5392 1.0111 1.0111 2.3895 2.3895 2.4837 2.4837 2.5766 2.5766 2.7433 2.7433 3.4072 3.4072 3.6281 3.6281 3.8715 3.8715 4.5181 4.5181 5.1965 5.1965 6.6558 6.6558 7.0750 7.0750 7.4742 7.4742 8.2629 8.2629 k = 0.0545-0.0702 0.0000 ( 5323 PWs) bands (ev): -21.5904 -21.5904 -21.5741 -21.5741 -9.0112 -9.0112 -8.3064 -8.3064 -6.9020 -6.9020 -6.4795 -6.4795 -6.3342 -6.3342 -6.2368 -6.2368 -5.7637 -5.7637 -5.4439 -5.4439 -5.4285 -5.4285 -5.3974 -5.3974 -5.3128 -5.3128 0.4252 0.4252 0.5333 0.5333 1.0009 1.0009 2.4143 2.4143 2.5078 2.5078 2.5645 2.5645 2.7262 2.7262 3.4190 3.4190 3.6293 3.6293 3.8600 3.8600 4.5537 4.5537 5.1934 5.1934 6.6264 6.6264 7.0900 7.0900 7.4858 7.4858 8.2312 8.2312 k = 0.0409-0.0526 0.0000 ( 5317 PWs) bands (ev): -21.5905 -21.5905 -21.5740 -21.5740 -9.0125 -9.0125 -8.3026 -8.3026 -6.9002 -6.9002 -6.4829 -6.4829 -6.3352 -6.3352 -6.2363 -6.2363 -5.7650 -5.7650 -5.4432 -5.4432 -5.4270 -5.4270 -5.3969 -5.3969 -5.3166 -5.3166 0.4262 0.4262 0.5287 0.5287 0.9927 0.9927 2.4376 2.4376 2.5248 2.5248 2.5566 2.5566 2.7096 2.7096 3.4284 3.4284 3.6307 3.6307 3.8502 3.8502 4.5828 4.5828 5.1910 5.1910 6.6016 6.6016 7.1034 7.1034 7.4950 7.4950 8.2052 8.2052 k = 0.0272-0.0351 0.0000 ( 5325 PWs) bands (ev): -21.5905 -21.5905 -21.5740 -21.5740 -9.0135 -9.0135 -8.2999 -8.2999 -6.8988 -6.8988 -6.4854 -6.4854 -6.3360 -6.3360 -6.2360 -6.2360 -5.7660 -5.7660 -5.4427 -5.4427 -5.4259 -5.4259 -5.3962 -5.3962 -5.3195 -5.3195 0.4268 0.4268 0.5254 0.5254 0.9868 0.9868 2.4592 2.4592 2.5245 2.5245 2.5620 2.5620 2.6946 2.6946 3.4352 3.4352 3.6319 3.6319 3.8427 3.8427 4.6044 4.6044 5.1892 5.1892 6.5828 6.5828 7.1139 7.1139 7.5016 7.5016 8.1858 8.1858 k = 0.0136-0.0175 0.0000 ( 5333 PWs) bands (ev): -21.5906 -21.5906 -21.5739 -21.5739 -9.0141 -9.0141 -8.2982 -8.2982 -6.8981 -6.8981 -6.4869 -6.4869 -6.3365 -6.3365 -6.2358 -6.2358 -5.7666 -5.7666 -5.4424 -5.4424 -5.4253 -5.4253 -5.3957 -5.3957 -5.3214 -5.3214 0.4273 0.4273 0.5234 0.5234 0.9832 0.9832 2.4788 2.4788 2.5127 2.5127 2.5725 2.5725 2.6833 2.6833 3.4393 3.4393 3.6328 3.6328 3.8379 3.8379 4.6178 4.6178 5.1882 5.1882 6.5711 6.5711 7.1207 7.1207 7.5056 7.5056 8.1738 8.1738 k = 0.0000 0.0000 0.0000 ( 5333 PWs) bands (ev): -21.5906 -21.5906 -21.5739 -21.5739 -9.0142 -9.0142 -8.2977 -8.2977 -6.8978 -6.8978 -6.4875 -6.4875 -6.3366 -6.3366 -6.2357 -6.2357 -5.7668 -5.7668 -5.4423 -5.4423 -5.4251 -5.4251 -5.3955 -5.3955 -5.3221 -5.3221 0.4274 0.4274 0.5227 0.5227 0.9820 0.9820 2.4936 2.4936 2.5002 2.5002 2.5770 2.5770 2.6789 2.6789 3.4407 3.4407 3.6331 3.6331 3.8362 3.8362 4.6223 4.6223 5.1879 5.1879 6.5671 6.5671 7.1230 7.1230 7.5069 7.5069 8.1697 8.1697 k = 0.0000 0.0000 0.0000 ( 5333 PWs) bands (ev): -21.5906 -21.5906 -21.5739 -21.5739 -9.0142 -9.0142 -8.2977 -8.2977 -6.8978 -6.8978 -6.4875 -6.4875 -6.3366 -6.3366 -6.2357 -6.2357 -5.7668 -5.7668 -5.4423 -5.4423 -5.4251 -5.4251 -5.3955 -5.3955 -5.3221 -5.3221 0.4274 0.4274 0.5227 0.5227 0.9820 0.9820 2.4936 2.4936 2.5002 2.5002 2.5770 2.5770 2.6789 2.6789 3.4407 3.4407 3.6331 3.6331 3.8362 3.8362 4.6223 4.6223 5.1879 5.1879 6.5671 6.5671 7.1230 7.1230 7.5069 7.5069 8.1697 8.1697 k = 0.0200-0.0051-0.0061 ( 5329 PWs) bands (ev): -21.5906 -21.5906 -21.5739 -21.5739 -9.0140 -9.0140 -8.2984 -8.2984 -6.8972 -6.8972 -6.4878 -6.4878 -6.3363 -6.3363 -6.2359 -6.2359 -5.7666 -5.7666 -5.4424 -5.4424 -5.4254 -5.4254 -5.3957 -5.3957 -5.3212 -5.3212 0.4274 0.4274 0.5239 0.5239 0.9831 0.9831 2.4791 2.4791 2.5073 2.5073 2.5763 2.5763 2.6837 2.6837 3.4391 3.4391 3.6325 3.6325 3.8372 3.8372 4.6194 4.6194 5.1906 5.1906 6.5689 6.5689 7.1216 7.1216 7.5050 7.5050 8.1737 8.1737 k = 0.0400-0.0102-0.0122 ( 5326 PWs) bands (ev): -21.5905 -21.5905 -21.5740 -21.5740 -9.0133 -9.0133 -8.3007 -8.3007 -6.8954 -6.8954 -6.4887 -6.4887 -6.3353 -6.3353 -6.2366 -6.2366 -5.7661 -5.7661 -5.4426 -5.4426 -5.4263 -5.4263 -5.3962 -5.3962 -5.3188 -5.3188 0.4273 0.4273 0.5273 0.5273 0.9864 0.9864 2.4533 2.4533 2.5114 2.5114 2.5756 2.5756 2.6956 2.6956 3.4342 3.4342 3.6308 3.6308 3.8403 3.8403 4.6108 4.6108 5.1989 5.1989 6.5742 6.5742 7.1175 7.1175 7.4994 7.4994 8.1855 8.1855 k = 0.0600-0.0153-0.0184 ( 5319 PWs) bands (ev): -21.5905 -21.5905 -21.5740 -21.5740 -9.0120 -9.0120 -8.3045 -8.3045 -6.8925 -6.8925 -6.4901 -6.4901 -6.3337 -6.3337 -6.2376 -6.2376 -5.7653 -5.7653 -5.4432 -5.4432 -5.4278 -5.4278 -5.3969 -5.3969 -5.3150 -5.3150 0.4272 0.4272 0.5329 0.5329 0.9919 0.9919 2.4197 2.4197 2.5119 2.5119 2.5771 2.5771 2.7102 2.7102 3.4259 3.4259 3.6283 3.6283 3.8451 3.8451 4.5967 4.5967 5.2126 5.2126 6.5829 6.5829 7.1110 7.1110 7.4902 7.4902 8.2047 8.2047 k = 0.0800-0.0205-0.0245 ( 5321 PWs) bands (ev): -21.5904 -21.5904 -21.5741 -21.5741 -9.0103 -9.0103 -8.3097 -8.3097 -6.8885 -6.8885 -6.4921 -6.4921 -6.3315 -6.3315 -6.2390 -6.2390 -5.7641 -5.7641 -5.4442 -5.4442 -5.4295 -5.4295 -5.3974 -5.3974 -5.3102 -5.3102 0.4270 0.4270 0.5407 0.5407 0.9996 0.9996 2.3798 2.3798 2.5101 2.5101 2.5811 2.5811 2.7246 2.7246 3.4144 3.4144 3.6254 3.6254 3.8513 3.8513 4.5773 4.5773 5.2316 5.2316 6.5948 6.5948 7.1025 7.1025 7.4777 7.4777 8.2308 8.2308 k = 0.1000-0.0256-0.0306 ( 5319 PWs) bands (ev): -21.5903 -21.5903 -21.5742 -21.5742 -9.0082 -9.0082 -8.3162 -8.3162 -6.8836 -6.8836 -6.4945 -6.4945 -6.3289 -6.3289 -6.2407 -6.2407 -5.7627 -5.7627 -5.4458 -5.4458 -5.4312 -5.4312 -5.3977 -5.3977 -5.3047 -5.3047 0.4269 0.4269 0.5507 0.5507 1.0092 1.0092 2.3353 2.3353 2.5070 2.5070 2.5869 2.5869 2.7371 2.7371 3.3996 3.3996 3.6227 3.6227 3.8584 3.8584 4.5529 4.5529 5.2555 5.2555 6.6095 6.6095 7.0925 7.0925 7.4621 7.4621 8.2631 8.2631 k = 0.1200-0.0307-0.0367 ( 5316 PWs) bands (ev): -21.5902 -21.5902 -21.5743 -21.5743 -9.0056 -9.0056 -8.3239 -8.3239 -6.8778 -6.8778 -6.4973 -6.4973 -6.3259 -6.3259 -6.2427 -6.2427 -5.7610 -5.7610 -5.4482 -5.4482 -5.4325 -5.4325 -5.3977 -5.3977 -5.2987 -5.2987 0.4268 0.4268 0.5628 0.5628 1.0208 1.0208 2.2873 2.2873 2.5032 2.5032 2.5940 2.5940 2.7470 2.7470 3.3817 3.3817 3.6205 3.6205 3.8659 3.8659 4.5239 4.5239 5.2842 5.2842 6.6265 6.6265 7.0815 7.0815 7.4439 7.4439 8.3009 8.3009 k = 0.1400-0.0358-0.0428 ( 5316 PWs) bands (ev): -21.5901 -21.5901 -21.5744 -21.5744 -9.0025 -9.0025 -8.3327 -8.3327 -6.8712 -6.8712 -6.5004 -6.5004 -6.3228 -6.3228 -6.2448 -6.2448 -5.7590 -5.7590 -5.4514 -5.4514 -5.4332 -5.4332 -5.3974 -5.3974 -5.2925 -5.2925 0.4267 0.4267 0.5770 0.5770 1.0343 1.0343 2.2368 2.2368 2.4988 2.4988 2.6021 2.6021 2.7541 2.7541 3.3610 3.3610 3.6191 3.6191 3.8733 3.8733 4.4910 4.4910 5.3174 5.3174 6.6454 6.6454 7.0701 7.0701 7.4234 7.4234 8.3435 8.3435 k = 0.1600-0.0409-0.0489 ( 5317 PWs) bands (ev): -21.5899 -21.5899 -21.5745 -21.5745 -8.9991 -8.9991 -8.3425 -8.3425 -6.8640 -6.8640 -6.5038 -6.5038 -6.3195 -6.3195 -6.2471 -6.2471 -5.7568 -5.7568 -5.4551 -5.4551 -5.4333 -5.4333 -5.3970 -5.3970 -5.2863 -5.2863 0.4266 0.4266 0.5932 0.5932 1.0493 1.0493 2.1844 2.1844 2.4941 2.4941 2.6109 2.6109 2.7585 2.7585 3.3379 3.3379 3.6189 3.6189 3.8800 3.8800 4.4547 4.4547 5.3546 5.3546 6.6656 6.6656 7.0586 7.0586 7.4011 7.4011 8.3903 8.3903 k = 0.1800-0.0460-0.0551 ( 5315 PWs) bands (ev): -21.5898 -21.5898 -21.5746 -21.5746 -8.9953 -8.9953 -8.3531 -8.3531 -6.8563 -6.8563 -6.5073 -6.5073 -6.3161 -6.3161 -6.2494 -6.2494 -5.7543 -5.7543 -5.4592 -5.4592 -5.4330 -5.4330 -5.3963 -5.3963 -5.2801 -5.2801 0.4265 0.4265 0.6115 0.6115 1.0658 1.0658 2.1307 2.1307 2.4892 2.4892 2.6201 2.6201 2.7606 2.7606 3.3129 3.3129 3.6197 3.6197 3.8855 3.8855 4.4155 4.4155 5.3957 5.3957 6.6862 6.6862 7.0473 7.0473 7.3777 7.3777 8.4408 8.4408 k = 0.2000-0.0511-0.0612 ( 5312 PWs) bands (ev): -21.5896 -21.5896 -21.5748 -21.5748 -8.9911 -8.9911 -8.3643 -8.3643 -6.8482 -6.8482 -6.5110 -6.5110 -6.3128 -6.3128 -6.2516 -6.2516 -5.7517 -5.7517 -5.4633 -5.4633 -5.4323 -5.4323 -5.3956 -5.3956 -5.2740 -5.2740 0.4263 0.4263 0.6318 0.6318 1.0834 1.0834 2.0762 2.0762 2.4842 2.4842 2.6292 2.6292 2.7610 2.7610 3.2865 3.2865 3.6218 3.6218 3.8893 3.8893 4.3743 4.3743 5.4403 5.4403 6.7065 6.7065 7.0366 7.0366 7.3538 7.3538 8.4947 8.4947 k = 0.2200-0.0563-0.0673 ( 5314 PWs) bands (ev): -21.5894 -21.5894 -21.5750 -21.5750 -8.9866 -8.9866 -8.3761 -8.3761 -6.8399 -6.8399 -6.5149 -6.5149 -6.3096 -6.3096 -6.2537 -6.2537 -5.7490 -5.7490 -5.4674 -5.4674 -5.4312 -5.4312 -5.3949 -5.3949 -5.2682 -5.2682 0.4261 0.4261 0.6541 0.6541 1.1019 1.1019 2.0212 2.0212 2.4790 2.4790 2.6378 2.6378 2.7604 2.7604 3.2592 3.2592 3.6251 3.6251 3.8909 3.8909 4.3318 4.3318 5.4881 5.4881 6.7255 6.7255 7.0263 7.0263 7.3302 7.3302 8.5516 8.5516 k = 0.2400-0.0614-0.0734 ( 5310 PWs) bands (ev): -21.5892 -21.5892 -21.5751 -21.5751 -8.9820 -8.9820 -8.3881 -8.3881 -6.8315 -6.8315 -6.5189 -6.5189 -6.3066 -6.3066 -6.2556 -6.2556 -5.7461 -5.7461 -5.4714 -5.4714 -5.4299 -5.4299 -5.3942 -5.3942 -5.2627 -5.2627 0.4259 0.4259 0.6784 0.6784 1.1210 1.1210 1.9662 1.9662 2.4739 2.4739 2.6451 2.6451 2.7599 2.7599 3.2314 3.2314 3.6295 3.6295 3.8900 3.8900 4.2887 4.2887 5.5387 5.5387 6.7418 6.7418 7.0166 7.0166 7.3081 7.3081 8.6115 8.6115 k = 0.2600-0.0665-0.0795 ( 5307 PWs) bands (ev): -21.5890 -21.5890 -21.5753 -21.5753 -8.9771 -8.9771 -8.4003 -8.4003 -6.8232 -6.8232 -6.5231 -6.5231 -6.3036 -6.3036 -6.2573 -6.2573 -5.7432 -5.7432 -5.4753 -5.4753 -5.4284 -5.4284 -5.3935 -5.3935 -5.2576 -5.2576 0.4256 0.4256 0.7046 0.7046 1.1402 1.1402 1.9116 1.9116 2.4688 2.4688 2.6501 2.6501 2.7607 2.7607 3.2036 3.2036 3.6350 3.6350 3.8863 3.8863 4.2458 4.2458 5.5918 5.5918 6.7541 6.7541 7.0076 7.0076 7.2886 7.2886 8.6741 8.6741 k = 0.2800-0.0716-0.0856 ( 5308 PWs) bands (ev): -21.5888 -21.5888 -21.5755 -21.5755 -8.9721 -8.9721 -8.4124 -8.4124 -6.8149 -6.8149 -6.5273 -6.5273 -6.3008 -6.3008 -6.2589 -6.2589 -5.7402 -5.7402 -5.4790 -5.4790 -5.4266 -5.4266 -5.3929 -5.3929 -5.2528 -5.2528 0.4252 0.4252 0.7327 0.7327 1.1591 1.1591 1.8578 1.8578 2.4639 2.4639 2.6522 2.6522 2.7640 2.7640 3.1761 3.1761 3.6416 3.6416 3.8797 3.8797 4.2039 4.2039 5.6473 5.6473 6.7605 6.7605 6.9993 6.9993 7.2730 7.2730 8.7393 8.7393 k = 0.3000-0.0767-0.0918 ( 5314 PWs) bands (ev): -21.5886 -21.5886 -21.5757 -21.5757 -8.9670 -8.9670 -8.4243 -8.4243 -6.8069 -6.8069 -6.5317 -6.5317 -6.2981 -6.2981 -6.2603 -6.2603 -5.7372 -5.7372 -5.4824 -5.4824 -5.4246 -5.4246 -5.3925 -5.3925 -5.2484 -5.2484 0.4248 0.4248 0.7625 0.7625 1.1771 1.1771 1.8051 1.8051 2.4593 2.4593 2.6508 2.6508 2.7703 2.7703 3.1493 3.1493 3.6490 3.6490 3.8701 3.8701 4.1638 4.1638 5.7046 5.7046 6.7594 6.7594 6.9922 6.9922 7.2621 7.2621 8.8071 8.8071 k = 0.3200-0.0818-0.0979 ( 5319 PWs) bands (ev): -21.5885 -21.5885 -21.5759 -21.5759 -8.9620 -8.9620 -8.4359 -8.4359 -6.7992 -6.7992 -6.5360 -6.5360 -6.2956 -6.2956 -6.2615 -6.2615 -5.7343 -5.7343 -5.4856 -5.4856 -5.4224 -5.4224 -5.3923 -5.3923 -5.2445 -5.2445 0.4244 0.4244 0.7941 0.7941 1.1935 1.1935 1.7542 1.7542 2.4551 2.4551 2.6464 2.6464 2.7797 2.7797 3.1233 3.1233 3.6572 3.6572 3.8576 3.8576 4.1261 4.1261 5.7636 5.7636 6.7494 6.7494 6.9868 6.9868 7.2565 7.2565 8.8772 8.8772 k = 0.3400-0.0869-0.1040 ( 5319 PWs) bands (ev): -21.5883 -21.5883 -21.5761 -21.5761 -8.9571 -8.9571 -8.4468 -8.4468 -6.7919 -6.7919 -6.5404 -6.5404 -6.2930 -6.2930 -6.2626 -6.2626 -5.7315 -5.7315 -5.4886 -5.4886 -5.4200 -5.4200 -5.3922 -5.3922 -5.2410 -5.2410 0.4239 0.4239 0.8273 0.8273 1.2076 1.2076 1.7056 1.7056 2.4513 2.4513 2.6398 2.6398 2.7915 2.7915 3.0983 3.0983 3.6661 3.6661 3.8427 3.8427 4.0915 4.0915 5.8239 5.8239 6.7298 6.7298 6.9836 6.9836 7.2558 7.2558 8.9494 8.9494 k = 0.3600-0.0920-0.1101 ( 5319 PWs) bands (ev): -21.5881 -21.5881 -21.5762 -21.5762 -8.9524 -8.9524 -8.4570 -8.4570 -6.7851 -6.7851 -6.5446 -6.5446 -6.2906 -6.2906 -6.2637 -6.2637 -5.7289 -5.7289 -5.4913 -5.4913 -5.4176 -5.4176 -5.3923 -5.3923 -5.2379 -5.2379 0.4234 0.4234 0.8619 0.8619 1.2183 1.2183 1.6601 1.6601 2.4481 2.4481 2.6318 2.6318 2.8051 2.8051 3.0743 3.0743 3.6753 3.6753 3.8260 3.8260 4.0602 4.0602 5.8851 5.8851 6.7014 6.7014 6.9824 6.9824 7.2591 7.2591 9.0235 9.0235 k = 0.3800-0.0972-0.1162 ( 5323 PWs) bands (ev): -21.5879 -21.5879 -21.5764 -21.5764 -8.9480 -8.9480 -8.4663 -8.4663 -6.7790 -6.7790 -6.5487 -6.5487 -6.2881 -6.2881 -6.2648 -6.2648 -5.7264 -5.7264 -5.4937 -5.4937 -5.4151 -5.4151 -5.3927 -5.3927 -5.2352 -5.2352 0.4230 0.4230 0.8978 0.8978 1.2246 1.2246 1.6188 1.6188 2.4455 2.4455 2.6233 2.6233 2.8200 2.8200 3.0516 3.0516 3.6845 3.6845 3.8088 3.8088 4.0324 4.0324 5.9469 5.9469 6.6654 6.6654 6.9826 6.9826 7.2653 7.2653 9.0989 9.0989 k = 0.4000-0.1023-0.1223 ( 5320 PWs) bands (ev): -21.5878 -21.5878 -21.5766 -21.5766 -8.9441 -8.9441 -8.4745 -8.4745 -6.7735 -6.7735 -6.5524 -6.5524 -6.2857 -6.2857 -6.2660 -6.2660 -5.7242 -5.7242 -5.4958 -5.4958 -5.4126 -5.4126 -5.3933 -5.3933 -5.2330 -5.2330 0.4225 0.4225 0.9347 0.9347 1.2250 1.2250 1.5828 1.5828 2.4434 2.4434 2.6150 2.6150 2.8357 2.8357 3.0300 3.0300 3.6931 3.6931 3.7922 3.7922 4.0082 4.0082 6.0089 6.0089 6.6235 6.6235 6.9838 6.9838 7.2730 7.2730 9.1750 9.1750 k = 0.4200-0.1074-0.1285 ( 5314 PWs) bands (ev): -21.5876 -21.5876 -21.5767 -21.5767 -8.9407 -8.9407 -8.4815 -8.4815 -6.7688 -6.7688 -6.5557 -6.5557 -6.2833 -6.2833 -6.2672 -6.2672 -5.7224 -5.7224 -5.4975 -5.4975 -5.4101 -5.4101 -5.3942 -5.3942 -5.2311 -5.2311 0.4222 0.4222 0.9724 0.9724 1.2185 1.2185 1.5533 1.5533 2.4419 2.4419 2.6073 2.6073 2.8518 2.8518 3.0096 3.0096 3.7005 3.7005 3.7779 3.7779 3.9875 3.9875 6.0703 6.0703 6.5773 6.5773 6.9853 6.9853 7.2810 7.2810 9.2507 9.2507 k = 0.4400-0.1125-0.1346 ( 5314 PWs) bands (ev): -21.5875 -21.5875 -21.5768 -21.5768 -8.9379 -8.9379 -8.4871 -8.4871 -6.7651 -6.7651 -6.5584 -6.5584 -6.2810 -6.2810 -6.2686 -6.2686 -5.7209 -5.7209 -5.4989 -5.4989 -5.4077 -5.4077 -5.3953 -5.3953 -5.2297 -5.2297 0.4218 0.4218 1.0104 1.0104 1.2043 1.2043 1.5310 1.5310 2.4409 2.4409 2.6008 2.6008 2.8679 2.8679 2.9906 2.9906 3.7054 3.7054 3.7674 3.7674 3.9707 3.9707 6.1301 6.1301 6.5285 6.5285 6.9868 6.9868 7.2883 7.2883 9.3237 9.3237 k = 0.4600-0.1176-0.1407 ( 5309 PWs) bands (ev): -21.5874 -21.5874 -21.5768 -21.5768 -8.9359 -8.9359 -8.4912 -8.4912 -6.7623 -6.7623 -6.5604 -6.5604 -6.2788 -6.2788 -6.2701 -6.2701 -5.7197 -5.7197 -5.4999 -5.4999 -5.4055 -5.4055 -5.3965 -5.3965 -5.2287 -5.2287 0.4216 0.4216 1.0482 1.0482 1.1829 1.1829 1.5160 1.5160 2.4403 2.4403 2.5959 2.5959 2.8832 2.8832 2.9733 2.9733 3.7075 3.7075 3.7615 3.7615 3.9580 3.9580 6.1863 6.1863 6.4799 6.4799 6.9881 6.9881 7.2941 7.2941 9.3893 9.3893 k = 0.4800-0.1227-0.1468 ( 5304 PWs) bands (ev): -21.5874 -21.5874 -21.5769 -21.5769 -8.9346 -8.9346 -8.4936 -8.4936 -6.7606 -6.7606 -6.5617 -6.5617 -6.2769 -6.2769 -6.2716 -6.2716 -5.7191 -5.7191 -5.5005 -5.5005 -5.4036 -5.4036 -5.3978 -5.3978 -5.2281 -5.2281 0.4215 0.4215 1.0846 1.0846 1.1558 1.1558 1.5075 1.5075 2.4400 2.4400 2.5928 2.5928 2.8962 2.8962 2.9593 2.9593 3.7075 3.7075 3.7594 3.7594 3.9501 3.9501 6.2331 6.2331 6.4375 6.4375 6.9889 6.9889 7.2978 7.2978 9.4367 9.4367 k = 0.5000-0.1278-0.1529 ( 5304 PWs) bands (ev): -21.5874 -21.5874 -21.5769 -21.5769 -8.9342 -8.9342 -8.4945 -8.4945 -6.7601 -6.7601 -6.5621 -6.5621 -6.2759 -6.2759 -6.2724 -6.2724 -5.7188 -5.7188 -5.5007 -5.5007 -5.4027 -5.4027 -5.3985 -5.3985 -5.2279 -5.2279 0.4214 0.4214 1.1111 1.1111 1.1324 1.1324 1.5048 1.5048 2.4399 2.4399 2.5917 2.5917 2.9020 2.9020 2.9532 2.9532 3.7073 3.7073 3.7589 3.7589 3.9474 3.9474 6.2542 6.2542 6.4179 6.4179 6.9892 6.9892 7.2990 7.2990 9.4536 9.4536 k = 0.5000-0.1278 0.5874 ( 5284 PWs) bands (ev): -21.5849 -21.5849 -21.5772 -21.5772 -8.4325 -8.4325 -8.3778 -8.3778 -7.6709 -7.6709 -6.9212 -6.9212 -6.3022 -6.3022 -6.2502 -6.2502 -5.5226 -5.5226 -5.4687 -5.4687 -5.4276 -5.4276 -5.4082 -5.4082 -4.8616 -4.8616 0.3095 0.3095 0.6106 0.6106 1.0544 1.0544 1.0904 1.0904 2.4246 2.4246 2.6143 2.6143 3.2502 3.2502 3.6227 3.6227 3.9703 3.9703 4.0439 4.0439 4.3633 4.3633 6.2250 6.2250 6.4260 6.4260 6.8033 6.8033 7.1992 7.1992 9.2931 9.2931 k = 0.4861-0.1243 0.5711 ( 5286 PWs) bands (ev): -21.5849 -21.5849 -21.5772 -21.5772 -8.4392 -8.4392 -8.3729 -8.3729 -7.6682 -7.6682 -6.9208 -6.9208 -6.3025 -6.3025 -6.2503 -6.2503 -5.5236 -5.5236 -5.4685 -5.4685 -5.4282 -5.4282 -5.4079 -5.4079 -4.8615 -4.8615 0.3100 0.3100 0.6094 0.6094 1.0320 1.0320 1.1168 1.1168 2.4239 2.4239 2.6138 2.6138 3.2527 3.2527 3.6210 3.6210 3.9669 3.9669 4.0430 4.0430 4.3643 4.3643 6.2207 6.2207 6.4291 6.4291 6.8036 6.8036 7.1985 7.1985 9.2947 9.2947 k = 0.4722-0.1207 0.5547 ( 5282 PWs) bands (ev): -21.5849 -21.5849 -21.5771 -21.5771 -8.4548 -8.4548 -8.3626 -8.3626 -7.6600 -7.6600 -6.9197 -6.9197 -6.3032 -6.3032 -6.2507 -6.2507 -5.5264 -5.5264 -5.4678 -5.4678 -5.4298 -5.4298 -5.4071 -5.4071 -4.8612 -4.8612 0.3114 0.3114 0.6056 0.6056 1.0018 1.0018 1.1589 1.1589 2.4218 2.4218 2.6125 2.6125 3.2601 3.2601 3.6158 3.6158 3.9566 3.9566 4.0404 4.0404 4.3669 4.3669 6.2087 6.2087 6.4374 6.4374 6.8043 6.8043 7.1966 7.1966 9.2994 9.2994 k = 0.4583-0.1172 0.5384 ( 5285 PWs) bands (ev): -21.5850 -21.5850 -21.5771 -21.5771 -8.4749 -8.4749 -8.3512 -8.3512 -7.6466 -7.6466 -6.9177 -6.9177 -6.3044 -6.3044 -6.2514 -6.2514 -5.5309 -5.5309 -5.4670 -5.4670 -5.4321 -5.4321 -5.4061 -5.4061 -4.8608 -4.8608 0.3136 0.3136 0.5995 0.5995 0.9748 0.9748 1.2054 1.2054 2.4183 2.4183 2.6107 2.6107 3.2716 3.2716 3.6078 3.6078 3.9398 3.9398 4.0364 4.0364 4.3705 4.3705 6.1910 6.1910 6.4491 6.4491 6.8057 6.8057 7.1935 7.1935 9.3068 9.3068 k = 0.4444-0.1136 0.5221 ( 5286 PWs) bands (ev): -21.5851 -21.5851 -21.5770 -21.5770 -8.4973 -8.4973 -8.3405 -8.3405 -7.6284 -7.6284 -6.9150 -6.9150 -6.3061 -6.3061 -6.2524 -6.2524 -5.5367 -5.5367 -5.4661 -5.4661 -5.4347 -5.4347 -5.4051 -5.4051 -4.8604 -4.8604 0.3168 0.3168 0.5913 0.5913 0.9520 0.9520 1.2551 1.2551 2.4136 2.4136 2.6091 2.6091 3.2860 3.2860 3.5977 3.5977 3.9172 3.9172 4.0311 4.0311 4.3741 4.3741 6.1694 6.1694 6.4623 6.4623 6.8078 6.8078 7.1899 7.1899 9.3165 9.3165 k = 0.4306-0.1101 0.5058 ( 5295 PWs) bands (ev): -21.5853 -21.5853 -21.5769 -21.5769 -8.5212 -8.5212 -8.3309 -8.3309 -7.6058 -7.6058 -6.9115 -6.9115 -6.3083 -6.3083 -6.2536 -6.2536 -5.5438 -5.5438 -5.4654 -5.4654 -5.4374 -5.4374 -5.4043 -5.4043 -4.8602 -4.8602 0.3207 0.3207 0.5812 0.5812 0.9335 0.9335 1.3073 1.3073 2.4078 2.4078 2.6083 2.6083 3.3018 3.3018 3.5869 3.5869 3.8896 3.8896 4.0243 4.0243 4.3767 4.3767 6.1456 6.1456 6.4755 6.4755 6.8107 6.8107 7.1861 7.1861 9.3278 9.3278 k = 0.4167-0.1065 0.4895 ( 5297 PWs) bands (ev): -21.5854 -21.5854 -21.5768 -21.5768 -8.5461 -8.5461 -8.3226 -8.3226 -7.5791 -7.5791 -6.9074 -6.9074 -6.3108 -6.3108 -6.2550 -6.2550 -5.5518 -5.5518 -5.4651 -5.4651 -5.4398 -5.4398 -5.4037 -5.4037 -4.8603 -4.8603 0.3254 0.3254 0.5699 0.5699 0.9188 0.9188 1.3616 1.3616 2.4013 2.4013 2.6085 2.6085 3.3167 3.3167 3.5770 3.5770 3.8580 3.8580 4.0159 4.0159 4.3776 4.3776 6.1206 6.1206 6.4880 6.4880 6.8145 6.8145 7.1826 7.1826 9.3400 9.3400 k = 0.4028-0.1030 0.4732 ( 5302 PWs) bands (ev): -21.5856 -21.5856 -21.5767 -21.5767 -8.5717 -8.5717 -8.3154 -8.3154 -7.5491 -7.5491 -6.9027 -6.9027 -6.3138 -6.3138 -6.2565 -6.2565 -5.5605 -5.5605 -5.4654 -5.4654 -5.4420 -5.4420 -5.4034 -5.4034 -4.8610 -4.8610 0.3308 0.3308 0.5578 0.5578 0.9077 0.9077 1.4175 1.4175 2.3946 2.3946 2.6101 2.6101 3.3282 3.3282 3.5705 3.5705 3.8233 3.8233 4.0054 4.0054 4.3762 4.3762 6.0949 6.0949 6.4995 6.4995 6.8192 6.8192 7.1800 7.1800 9.3526 9.3526 k = 0.3889-0.0994 0.4568 ( 5297 PWs) bands (ev): -21.5858 -21.5858 -21.5766 -21.5766 -8.5975 -8.5975 -8.3093 -8.3093 -7.5160 -7.5160 -6.8974 -6.8974 -6.3171 -6.3171 -6.2582 -6.2582 -5.5697 -5.5697 -5.4662 -5.4662 -5.4436 -5.4436 -5.4033 -5.4033 -4.8625 -4.8625 0.3366 0.3366 0.5457 0.5457 0.8993 0.8993 1.4746 1.4746 2.3885 2.3885 2.6131 2.6131 3.3333 3.3333 3.5695 3.5695 3.7866 3.7866 3.9927 3.9927 4.3722 4.3722 6.0688 6.0688 6.5101 6.5101 6.8245 6.8245 7.1789 7.1789 9.3650 9.3650 k = 0.3750-0.0959 0.4405 ( 5301 PWs) bands (ev): -21.5860 -21.5860 -21.5765 -21.5765 -8.6235 -8.6235 -8.3041 -8.3041 -7.4804 -7.4804 -6.8915 -6.8915 -6.3206 -6.3206 -6.2600 -6.2600 -5.5793 -5.5793 -5.4675 -5.4675 -5.4448 -5.4448 -5.4033 -5.4033 -4.8651 -4.8651 0.3429 0.3429 0.5341 0.5341 0.8933 0.8933 1.5326 1.5326 2.3836 2.3836 2.6173 2.6173 3.3304 3.3304 3.5747 3.5747 3.7493 3.7493 3.9775 3.9775 4.3655 4.3655 6.0424 6.0424 6.5201 6.5201 6.8302 6.8302 7.1795 7.1795 9.3765 9.3765 k = 0.3611-0.0923 0.4242 ( 5301 PWs) bands (ev): -21.5862 -21.5862 -21.5763 -21.5763 -8.6493 -8.6493 -8.2998 -8.2998 -7.4427 -7.4427 -6.8852 -6.8852 -6.3243 -6.3243 -6.2618 -6.2618 -5.5890 -5.5890 -5.4693 -5.4693 -5.4457 -5.4457 -5.4034 -5.4034 -4.8688 -4.8688 0.3494 0.3494 0.5236 0.5236 0.8890 0.8890 1.5910 1.5910 2.3805 2.3805 2.6225 2.6225 3.3199 3.3199 3.5837 3.5837 3.7141 3.7141 3.9598 3.9598 4.3566 4.3566 6.0156 6.0156 6.5301 6.5301 6.8360 6.8360 7.1822 7.1822 9.3867 9.3867 k = 0.3472-0.0888 0.4079 ( 5299 PWs) bands (ev): -21.5864 -21.5864 -21.5762 -21.5762 -8.6748 -8.6748 -8.2962 -8.2962 -7.4033 -7.4033 -6.8785 -6.8785 -6.3282 -6.3282 -6.2637 -6.2637 -5.5988 -5.5988 -5.4714 -5.4714 -5.4463 -5.4463 -5.4036 -5.4036 -4.8739 -4.8739 0.3560 0.3560 0.5146 0.5146 0.8859 0.8859 1.6493 1.6493 2.3798 2.3798 2.6282 2.6282 3.3035 3.3035 3.5879 3.5879 3.6880 3.6880 3.9397 3.9397 4.3457 4.3457 5.9880 5.9880 6.5407 6.5407 6.8415 6.8415 7.1869 7.1869 9.3944 9.3944 k = 0.3333-0.0852 0.3916 ( 5298 PWs) bands (ev): -21.5866 -21.5866 -21.5760 -21.5760 -8.6999 -8.6999 -8.2933 -8.2933 -7.3627 -7.3627 -6.8714 -6.8714 -6.3320 -6.3320 -6.2655 -6.2655 -5.6084 -5.6084 -5.4737 -5.4737 -5.4468 -5.4468 -5.4038 -5.4038 -4.8806 -4.8806 0.3624 0.3624 0.5076 0.5076 0.8837 0.8837 1.7071 1.7071 2.3821 2.3821 2.6341 2.6341 3.2834 3.2834 3.5738 3.5738 3.6822 3.6822 3.9178 3.9178 4.3336 4.3336 5.9593 5.9593 6.5526 6.5526 6.8467 6.8467 7.1937 7.1937 9.3986 9.3986 k = 0.3194-0.0817 0.3753 ( 5298 PWs) bands (ev): -21.5869 -21.5869 -21.5759 -21.5759 -8.7244 -8.7244 -8.2910 -8.2910 -7.3211 -7.3211 -6.8640 -6.8640 -6.3358 -6.3358 -6.2674 -6.2674 -5.6178 -5.6178 -5.4759 -5.4759 -5.4473 -5.4473 -5.4040 -5.4040 -4.8889 -4.8889 0.3685 0.3685 0.5027 0.5027 0.8822 0.8822 1.7640 1.7640 2.3876 2.3876 2.6397 2.6397 3.2615 3.2615 3.5425 3.5425 3.6930 3.6930 3.8955 3.8955 4.3211 4.3211 5.9292 5.9292 6.5661 6.5661 6.8514 6.8514 7.2023 7.2023 9.3972 9.3972 k = 0.3056-0.0781 0.3590 ( 5297 PWs) bands (ev): -21.5871 -21.5871 -21.5757 -21.5757 -8.7482 -8.7482 -8.2891 -8.2891 -7.2790 -7.2790 -6.8563 -6.8563 -6.3394 -6.3394 -6.2691 -6.2691 -5.6269 -5.6269 -5.4780 -5.4780 -5.4478 -5.4478 -5.4042 -5.4042 -4.8990 -4.8990 0.3740 0.3740 0.5001 0.5001 0.8811 0.8811 1.8195 1.8195 2.3966 2.3966 2.6445 2.6445 3.2394 3.2394 3.5044 3.5044 3.7062 3.7062 3.8758 3.8758 4.3089 4.3089 5.8974 5.8974 6.5813 6.5813 6.8558 6.8558 7.2122 7.2122 9.3877 9.3877 k = 0.2917-0.0746 0.3426 ( 5298 PWs) bands (ev): -21.5874 -21.5874 -21.5756 -21.5756 -8.7712 -8.7712 -8.2877 -8.2877 -7.2368 -7.2368 -6.8482 -6.8482 -6.3427 -6.3427 -6.2708 -6.2708 -5.6355 -5.6355 -5.4800 -5.4800 -5.4483 -5.4483 -5.4043 -5.4043 -4.9108 -4.9108 0.3789 0.3789 0.4997 0.4997 0.8803 0.8803 1.8732 1.8732 2.4090 2.4090 2.6479 2.6479 3.2181 3.2181 3.4648 3.4648 3.7113 3.7113 3.8641 3.8641 4.2980 4.2980 5.8637 5.8637 6.5980 6.5980 6.8603 6.8603 7.2231 7.2231 9.3669 9.3669 k = 0.2778-0.0710 0.3263 ( 5299 PWs) bands (ev): -21.5876 -21.5876 -21.5755 -21.5755 -8.7934 -8.7934 -8.2867 -8.2867 -7.1948 -7.1948 -6.8397 -6.8397 -6.3457 -6.3457 -6.2724 -6.2724 -5.6438 -5.6438 -5.4818 -5.4818 -5.4487 -5.4487 -5.4043 -5.4043 -4.9246 -4.9246 0.3832 0.3832 0.5013 0.5013 0.8799 0.8799 1.9249 1.9249 2.4245 2.4245 2.6495 2.6495 3.1982 3.1982 3.4259 3.4259 3.7018 3.7018 3.8648 3.8648 4.2893 4.2893 5.8281 5.8281 6.6155 6.6155 6.8656 6.8656 7.2344 7.2344 9.3322 9.3322 k = 0.2639-0.0675 0.3100 ( 5299 PWs) bands (ev): -21.5878 -21.5878 -21.5753 -21.5753 -8.8146 -8.8146 -8.2860 -8.2860 -7.1536 -7.1536 -6.8306 -6.8306 -6.3483 -6.3483 -6.2738 -6.2738 -5.6516 -5.6516 -5.4833 -5.4833 -5.4491 -5.4491 -5.4042 -5.4042 -4.9401 -4.9401 0.3870 0.3870 0.5044 0.5044 0.8799 0.8799 1.9742 1.9742 2.4425 2.4425 2.6490 2.6490 3.1795 3.1795 3.3896 3.3896 3.6792 3.6792 3.8759 3.8759 4.2836 4.2836 5.7907 5.7907 6.6328 6.6328 6.8722 6.8722 7.2459 7.2459 9.2831 9.2831 k = 0.2500-0.0639 0.2937 ( 5307 PWs) bands (ev): -21.5881 -21.5881 -21.5752 -21.5752 -8.8349 -8.8349 -8.2857 -8.2857 -7.1136 -7.1136 -6.8206 -6.8206 -6.3504 -6.3504 -6.2750 -6.2750 -5.6591 -5.6591 -5.4845 -5.4845 -5.4493 -5.4493 -5.4041 -5.4041 -4.9574 -4.9574 0.3904 0.3904 0.5087 0.5087 0.8805 0.8805 2.0211 2.0211 2.4622 2.4622 2.6463 2.6463 3.1613 3.1613 3.3579 3.3579 3.6490 3.6490 3.8914 3.8914 4.2819 4.2819 5.7516 5.7516 6.6487 6.6487 6.8814 6.8814 7.2571 7.2571 9.2212 9.2212 k = 0.2361-0.0604 0.2774 ( 5306 PWs) bands (ev): -21.5883 -21.5883 -21.5751 -21.5751 -8.8541 -8.8541 -8.2856 -8.2856 -7.0757 -7.0757 -6.8092 -6.8092 -6.3521 -6.3521 -6.2759 -6.2759 -5.6661 -5.6661 -5.4854 -5.4854 -5.4494 -5.4494 -5.4040 -5.4040 -4.9763 -4.9763 0.3936 0.3936 0.5136 0.5136 0.8818 0.8818 2.0656 2.0656 2.4822 2.4822 2.6421 2.6421 3.1417 3.1417 3.3329 3.3329 3.6159 3.6159 3.9067 3.9067 4.2850 4.2850 5.7110 5.7110 6.6618 6.6618 6.8939 6.8939 7.2680 7.2680 9.1498 9.1498 k = 0.2222-0.0568 0.2611 ( 5307 PWs) bands (ev): -21.5885 -21.5885 -21.5749 -21.5749 -8.8724 -8.8724 -8.2858 -8.2858 -7.0406 -7.0406 -6.7960 -6.7960 -6.3532 -6.3532 -6.2766 -6.2766 -5.6729 -5.6729 -5.4858 -5.4858 -5.4492 -5.4492 -5.4038 -5.4038 -4.9969 -4.9969 0.3967 0.3967 0.5187 0.5187 0.8840 0.8840 2.1077 2.1077 2.5006 2.5006 2.6373 2.6373 3.1188 3.1188 3.3167 3.3167 3.5830 3.5830 3.9192 3.9192 4.2933 4.2933 5.6694 5.6694 6.6709 6.6709 6.9102 6.9102 7.2785 7.2785 9.0727 9.0727 k = 0.2083-0.0533 0.2447 ( 5309 PWs) bands (ev): -21.5888 -21.5888 -21.5748 -21.5748 -8.8896 -8.8896 -8.2863 -8.2863 -7.0091 -7.0091 -6.7802 -6.7802 -6.3538 -6.3538 -6.2770 -6.2770 -5.6794 -5.6794 -5.4859 -5.4859 -5.4487 -5.4487 -5.4036 -5.4036 -5.0188 -5.0188 0.3998 0.3998 0.5234 0.5234 0.8872 0.8872 2.1476 2.1476 2.5151 2.5151 2.6338 2.6338 3.0914 3.0914 3.3099 3.3099 3.5524 3.5524 3.9277 3.9277 4.3072 4.3072 5.6269 5.6269 6.6756 6.6756 6.9302 6.9302 7.2889 7.2889 8.9925 8.9925 k = 0.1944-0.0497 0.2284 ( 5311 PWs) bands (ev): -21.5890 -21.5890 -21.5747 -21.5747 -8.9056 -8.9056 -8.2869 -8.2869 -6.9821 -6.9821 -6.7613 -6.7613 -6.3540 -6.3540 -6.2770 -6.2770 -5.6857 -5.6857 -5.4856 -5.4856 -5.4478 -5.4478 -5.4035 -5.4035 -5.0420 -5.0420 0.4029 0.4029 0.5275 0.5275 0.8916 0.8916 2.1856 2.1856 2.5234 2.5234 2.6332 2.6332 3.0598 3.0598 3.3115 3.3115 3.5260 3.5260 3.9318 3.9318 4.3261 4.3261 5.5840 5.5840 6.6760 6.6760 6.9531 6.9531 7.2993 7.2993 8.9113 8.9113 k = 0.1806-0.0462 0.2121 ( 5308 PWs) bands (ev): -21.5892 -21.5892 -21.5746 -21.5746 -8.9206 -8.9206 -8.2876 -8.2876 -6.9600 -6.9600 -6.7391 -6.7391 -6.3538 -6.3538 -6.2767 -6.2767 -5.6919 -5.6919 -5.4849 -5.4849 -5.4466 -5.4466 -5.4033 -5.4033 -5.0662 -5.0662 0.4059 0.4059 0.5308 0.5308 0.8971 0.8971 2.2216 2.2216 2.5249 2.5249 2.6361 2.6361 3.0251 3.0251 3.3192 3.3192 3.5054 3.5054 3.9320 3.9320 4.3492 4.3492 5.5411 5.5411 6.6728 6.6728 6.9774 6.9774 7.3104 7.3104 8.8306 8.8306 k = 0.1667-0.0426 0.1958 ( 5312 PWs) bands (ev): -21.5894 -21.5894 -21.5745 -21.5745 -8.9345 -8.9345 -8.2885 -8.2885 -6.9428 -6.9428 -6.7138 -6.7138 -6.3532 -6.3532 -6.2758 -6.2758 -5.6982 -5.6982 -5.4837 -5.4837 -5.4449 -5.4449 -5.4032 -5.4032 -5.0912 -5.0912 0.4089 0.4089 0.5331 0.5331 0.9037 0.9037 2.2557 2.2557 2.5211 2.5211 2.6408 2.6408 2.9886 2.9886 3.3307 3.3307 3.4919 3.4919 3.9287 3.9287 4.3756 4.3756 5.4986 5.4986 6.6665 6.6665 7.0019 7.0019 7.3225 7.3225 8.7515 8.7515 k = 0.1528-0.0391 0.1795 ( 5316 PWs) bands (ev): -21.5895 -21.5895 -21.5744 -21.5744 -8.9473 -8.9473 -8.2895 -8.2895 -6.9297 -6.9297 -6.6863 -6.6863 -6.3522 -6.3522 -6.2745 -6.2745 -5.7046 -5.7046 -5.4820 -5.4820 -5.4428 -5.4428 -5.4032 -5.4032 -5.1167 -5.1167 0.4117 0.4117 0.5343 0.5343 0.9113 0.9113 2.2880 2.2880 2.5146 2.5146 2.6449 2.6449 2.9513 2.9513 3.3436 3.3436 3.4867 3.4867 3.9229 3.9229 4.4042 4.4042 5.4569 5.4569 6.6579 6.6579 7.0251 7.0251 7.3362 7.3362 8.6748 8.6748 k = 0.1389-0.0355 0.1632 ( 5316 PWs) bands (ev): -21.5897 -21.5897 -21.5743 -21.5743 -8.9590 -8.9590 -8.2906 -8.2906 -6.9201 -6.9201 -6.6577 -6.6577 -6.3510 -6.3510 -6.2726 -6.2726 -5.7112 -5.7112 -5.4798 -5.4798 -5.4403 -5.4403 -5.4032 -5.4032 -5.1423 -5.1423 0.4144 0.4144 0.5347 0.5347 0.9197 0.9197 2.3183 2.3183 2.5076 2.5076 2.6465 2.6465 2.9140 2.9140 3.3563 3.3563 3.4900 3.4900 3.9151 3.9151 4.4338 4.4338 5.4165 5.4165 6.6478 6.6478 7.0462 7.0462 7.3518 7.3518 8.6010 8.6010 k = 0.1250-0.0320 0.1468 ( 5330 PWs) bands (ev): -21.5899 -21.5899 -21.5743 -21.5743 -8.9695 -8.9695 -8.2917 -8.2917 -6.9132 -6.9132 -6.6291 -6.6291 -6.3495 -6.3495 -6.2701 -6.2701 -5.7180 -5.7180 -5.4772 -5.4772 -5.4375 -5.4375 -5.4033 -5.4033 -5.1679 -5.1679 0.4169 0.4169 0.5343 0.5343 0.9286 0.9286 2.3464 2.3464 2.5019 2.5019 2.6447 2.6447 2.8774 2.8774 3.3681 3.3681 3.5006 3.5006 3.9059 3.9059 4.4636 4.4636 5.3779 5.3779 6.6366 6.6366 7.0644 7.0644 7.3695 7.3695 8.5306 8.5306 k = 0.1111-0.0284 0.1305 ( 5326 PWs) bands (ev): -21.5900 -21.5900 -21.5742 -21.5742 -8.9789 -8.9789 -8.2927 -8.2927 -6.9082 -6.9082 -6.6015 -6.6015 -6.3478 -6.3478 -6.2669 -6.2669 -5.7251 -5.7251 -5.4740 -5.4740 -5.4344 -5.4344 -5.4035 -5.4035 -5.1929 -5.1929 0.4192 0.4192 0.5332 0.5332 0.9376 0.9376 2.3718 2.3718 2.4986 2.4986 2.6394 2.6394 2.8424 2.8424 3.3794 3.3794 3.5168 3.5168 3.8959 3.8959 4.4926 4.4926 5.3415 5.3415 6.6250 6.6250 7.0795 7.0795 7.3889 7.3889 8.4644 8.4644 k = 0.0972-0.0249 0.1142 ( 5325 PWs) bands (ev): -21.5901 -21.5901 -21.5741 -21.5741 -8.9872 -8.9872 -8.2937 -8.2937 -6.9046 -6.9046 -6.5758 -6.5758 -6.3460 -6.3460 -6.2631 -6.2631 -5.7322 -5.7322 -5.4703 -5.4703 -5.4313 -5.4313 -5.4036 -5.4036 -5.2171 -5.2171 0.4212 0.4212 0.5317 0.5317 0.9465 0.9465 2.3941 2.3941 2.4986 2.4986 2.6306 2.6306 2.8095 2.8095 3.3904 3.3904 3.5361 3.5361 3.8856 3.8856 4.5201 4.5201 5.3080 5.3080 6.6135 6.6135 7.0917 7.0917 7.4094 7.4094 8.4027 8.4027 k = 0.0833-0.0213 0.0979 ( 5327 PWs) bands (ev): -21.5903 -21.5903 -21.5741 -21.5741 -8.9944 -8.9944 -8.2947 -8.2947 -6.9022 -6.9022 -6.5527 -6.5527 -6.3441 -6.3441 -6.2586 -6.2586 -5.7394 -5.7394 -5.4661 -5.4661 -5.4283 -5.4283 -5.4036 -5.4036 -5.2402 -5.2402 0.4229 0.4229 0.5299 0.5299 0.9549 0.9549 2.4131 2.4131 2.5024 2.5024 2.6189 2.6189 2.7793 2.7793 3.4013 3.4013 3.5566 3.5566 3.8752 3.8752 4.5454 4.5454 5.2777 5.2777 6.6025 6.6025 7.1012 7.1012 7.4302 7.4302 8.3463 8.3463 k = 0.0694-0.0178 0.0816 ( 5325 PWs) bands (ev): -21.5903 -21.5903 -21.5740 -21.5740 -9.0005 -9.0005 -8.2956 -8.2956 -6.9005 -6.9005 -6.5327 -6.5327 -6.3422 -6.3422 -6.2536 -6.2536 -5.7464 -5.7464 -5.4615 -5.4615 -5.4256 -5.4256 -5.4033 -5.4033 -5.2615 -5.2615 0.4243 0.4243 0.5281 0.5281 0.9626 0.9626 2.4289 2.4289 2.5095 2.5095 2.6052 2.6052 2.7523 2.7523 3.4117 3.4117 3.5766 3.5766 3.8652 3.8652 4.5679 4.5679 5.2512 5.2512 6.5925 6.5925 7.1086 7.1086 7.4504 7.4504 8.2960 8.2960 k = 0.0556-0.0142 0.0653 ( 5330 PWs) bands (ev): -21.5904 -21.5904 -21.5740 -21.5740 -9.0054 -9.0054 -8.2963 -8.2963 -6.8993 -6.8993 -6.5163 -6.5163 -6.3404 -6.3404 -6.2484 -6.2484 -5.7529 -5.7529 -5.4566 -5.4566 -5.4239 -5.4239 -5.4023 -5.4023 -5.2807 -5.2807 0.4255 0.4255 0.5263 0.5263 0.9693 0.9693 2.4425 2.4425 2.5178 2.5178 2.5911 2.5911 2.7287 2.7287 3.4212 3.4212 3.5951 3.5951 3.8560 3.8560 4.5870 4.5870 5.2289 5.2289 6.5837 6.5837 7.1141 7.1141 7.4688 7.4688 8.2527 8.2527 k = 0.0417-0.0107 0.0489 ( 5335 PWs) bands (ev): -21.5905 -21.5905 -21.5740 -21.5740 -9.0093 -9.0093 -8.2969 -8.2969 -6.8986 -6.8986 -6.5036 -6.5036 -6.3388 -6.3388 -6.2435 -6.2435 -5.7586 -5.7586 -5.4517 -5.4517 -5.4232 -5.4232 -5.4006 -5.4006 -5.2973 -5.2973 0.4263 0.4263 0.5248 0.5248 0.9747 0.9747 2.4553 2.4553 2.5235 2.5235 2.5795 2.5795 2.7088 2.7088 3.4293 3.4293 3.6108 3.6108 3.8479 3.8479 4.6022 4.6022 5.2111 5.2111 6.5766 6.5766 7.1181 7.1181 7.4846 7.4846 8.2175 8.2175 k = 0.0278-0.0071 0.0326 ( 5330 PWs) bands (ev): -21.5905 -21.5905 -21.5739 -21.5739 -9.0120 -9.0120 -8.2973 -8.2973 -6.8981 -6.8981 -6.4946 -6.4946 -6.3376 -6.3376 -6.2394 -6.2394 -5.7630 -5.7630 -5.4471 -5.4471 -5.4236 -5.4236 -5.3984 -5.3984 -5.3104 -5.3104 0.4269 0.4269 0.5237 0.5237 0.9787 0.9787 2.4684 2.4684 2.5214 2.5214 2.5747 2.5747 2.6931 2.6931 3.4355 3.4355 3.6229 3.6229 3.8417 3.8417 4.6133 4.6133 5.1983 5.1983 6.5714 6.5714 7.1209 7.1209 7.4967 7.4967 8.1913 8.1913 k = 0.0139-0.0036 0.0163 ( 5333 PWs) bands (ev): -21.5906 -21.5906 -21.5739 -21.5739 -9.0137 -9.0137 -8.2976 -8.2976 -6.8979 -6.8979 -6.4892 -6.4892 -6.3369 -6.3369 -6.2367 -6.2367 -5.7658 -5.7658 -5.4436 -5.4436 -5.4246 -5.4246 -5.3963 -5.3963 -5.3190 -5.3190 0.4273 0.4273 0.5230 0.5230 0.9812 0.9812 2.4821 2.4821 2.5112 2.5112 2.5758 2.5758 2.6827 2.6827 3.4394 3.4394 3.6305 3.6305 3.8376 3.8376 4.6200 4.6200 5.1905 5.1905 6.5682 6.5682 7.1225 7.1225 7.5043 7.5043 8.1752 8.1752 k = 0.0000 0.0000 0.0000 ( 5333 PWs) bands (ev): -21.5906 -21.5906 -21.5739 -21.5739 -9.0142 -9.0142 -8.2977 -8.2977 -6.8978 -6.8978 -6.4875 -6.4875 -6.3366 -6.3366 -6.2357 -6.2357 -5.7668 -5.7668 -5.4423 -5.4423 -5.4251 -5.4251 -5.3955 -5.3955 -5.3221 -5.3221 0.4274 0.4274 0.5227 0.5227 0.9820 0.9820 2.4936 2.4936 2.5002 2.5002 2.5770 2.5770 2.6789 2.6789 3.4407 3.4407 3.6331 3.6331 3.8362 3.8362 4.6223 4.6223 5.1879 5.1879 6.5671 6.5671 7.1230 7.1230 7.5069 7.5069 8.1697 8.1697 Writing output data file Rb2TeSe4.save init_run : 0.40s CPU 0.56s WALL ( 1 calls) electrons : 225.05s CPU 227.59s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 225.04s CPU 227.58s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.00s WALL ( 1 calls) newd : 0.07s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.03s WALL ( 236 calls) cegterg : 205.44s CPU 207.55s WALL ( 350 calls) Called by sum_band: Called by *egterg: h_psi : 109.10s CPU 111.21s WALL ( 5542 calls) s_psi : 3.31s CPU 3.42s WALL ( 5542 calls) g_psi : 0.11s CPU 0.11s WALL ( 4956 calls) cdiaghg : 91.49s CPU 91.70s WALL ( 5192 calls) cegterg:over : 7.57s CPU 7.56s WALL ( 4956 calls) cegterg:upda : 3.61s CPU 3.69s WALL ( 4956 calls) cegterg:last : 2.44s CPU 2.39s WALL ( 822 calls) cdiaghg:chol : 3.20s CPU 3.14s WALL ( 5192 calls) cdiaghg:inve : 2.03s CPU 2.02s WALL ( 5192 calls) cdiaghg:para : 5.73s CPU 5.65s WALL ( 10384 calls) Called by h_psi: h_psi:vloc : 100.28s CPU 102.33s WALL ( 5542 calls) h_psi:vnl : 8.71s CPU 8.77s WALL ( 5542 calls) add_vuspsi : 4.06s CPU 4.17s WALL ( 5542 calls) General routines calbec : 4.63s CPU 4.58s WALL ( 5542 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 97.30s CPU 99.38s WALL ( 585468 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.13s WALL ( 472 calls) Parallel routines fft_scatter : 71.10s CPU 72.45s WALL ( 585491 calls) PWSCF : 4m21.22s CPU 4m44.80s WALL This run was terminated on: 9: 3:54 1Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=