Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:26:36 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Li2NiO2.save/ file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 68 68 19 1240 1240 191 Max 69 69 20 1242 1242 194 Sum 2455 2455 715 44673 44673 6945 bravais-lattice index = 14 lattice parameter (alat) = 9.5987 a.u. unit-cell volume = 316.7891 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.598690 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.850335 celldm(5)= -0.728492 celldm(6)= 0.578826 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.578826 0.815451 0.000000 ) a(3) = ( -0.728492 -0.525678 0.439275 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.709824 0.808953 ) b(2) = ( 0.000000 1.226316 1.467526 ) b(3) = ( 0.000000 0.000000 2.276478 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 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 O 6.00 15.99940 O( 1.00) Li 3.00 6.94100 Li( 1.00) Ni 10.00 58.69340 Ni( 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= 498 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020080 k( 2) = ( -0.0044145 0.0085471 0.0129568), wk = 0.0020080 k( 3) = ( -0.0088290 0.0170942 0.0259135), wk = 0.0020080 k( 4) = ( -0.0132435 0.0256412 0.0388703), wk = 0.0020080 k( 5) = ( -0.0176580 0.0341883 0.0518271), wk = 0.0020080 k( 6) = ( -0.0220725 0.0427354 0.0647839), wk = 0.0020080 k( 7) = ( -0.0264870 0.0512825 0.0777406), wk = 0.0020080 k( 8) = ( -0.0309015 0.0598296 0.0906974), wk = 0.0020080 k( 9) = ( -0.0353160 0.0683766 0.1036542), wk = 0.0020080 k( 10) = ( -0.0397305 0.0769237 0.1166110), wk = 0.0020080 k( 11) = ( -0.0441450 0.0854708 0.1295677), wk = 0.0020080 k( 12) = ( -0.0485595 0.0940179 0.1425245), wk = 0.0020080 k( 13) = ( -0.0529740 0.1025650 0.1554813), wk = 0.0020080 k( 14) = ( -0.0573885 0.1111120 0.1684381), wk = 0.0020080 k( 15) = ( -0.0618030 0.1196591 0.1813949), wk = 0.0020080 k( 16) = ( -0.0662174 0.1282062 0.1943516), wk = 0.0020080 k( 17) = ( -0.0706319 0.1367533 0.2073084), wk = 0.0020080 k( 18) = ( -0.0750465 0.1453004 0.2202652), wk = 0.0020080 k( 19) = ( -0.0794609 0.1538474 0.2332219), wk = 0.0020080 k( 20) = ( -0.0838754 0.1623945 0.2461787), wk = 0.0020080 k( 21) = ( -0.0882899 0.1709416 0.2591355), wk = 0.0020080 k( 22) = ( -0.0927044 0.1794887 0.2720922), wk = 0.0020080 k( 23) = ( -0.0971189 0.1880358 0.2850490), wk = 0.0020080 k( 24) = ( -0.1015334 0.1965829 0.2980058), wk = 0.0020080 k( 25) = ( -0.1059479 0.2051299 0.3109626), wk = 0.0020080 k( 26) = ( -0.1103624 0.2136770 0.3239194), wk = 0.0020080 k( 27) = ( -0.1147769 0.2222241 0.3368761), wk = 0.0020080 k( 28) = ( -0.1191914 0.2307712 0.3498329), wk = 0.0020080 k( 29) = ( -0.1236059 0.2393183 0.3627897), wk = 0.0020080 k( 30) = ( -0.1280204 0.2478653 0.3757465), wk = 0.0020080 k( 31) = ( -0.1324349 0.2564124 0.3887032), wk = 0.0020080 k( 32) = ( -0.1368494 0.2649595 0.4016600), wk = 0.0020080 k( 33) = ( -0.1412639 0.2735066 0.4146168), wk = 0.0020080 k( 34) = ( -0.1456784 0.2820537 0.4275736), wk = 0.0020080 k( 35) = ( -0.1500929 0.2906007 0.4405303), wk = 0.0020080 k( 36) = ( -0.1545074 0.2991478 0.4534871), wk = 0.0020080 k( 37) = ( -0.1589219 0.3076949 0.4664439), wk = 0.0020080 k( 38) = ( -0.1633364 0.3162420 0.4794006), wk = 0.0020080 k( 39) = ( -0.1677509 0.3247891 0.4923574), wk = 0.0020080 k( 40) = ( -0.1721654 0.3333361 0.5053142), wk = 0.0020080 k( 41) = ( -0.1765799 0.3418832 0.5182710), wk = 0.0020080 k( 42) = ( -0.1809944 0.3504303 0.5312277), wk = 0.0020080 k( 43) = ( -0.1854089 0.3589774 0.5441845), wk = 0.0020080 k( 44) = ( -0.1898234 0.3675245 0.5571413), wk = 0.0020080 k( 45) = ( -0.1942379 0.3760715 0.5700981), wk = 0.0020080 k( 46) = ( -0.1986524 0.3846186 0.5830548), wk = 0.0020080 k( 47) = ( -0.2030669 0.3931657 0.5960116), wk = 0.0020080 k( 48) = ( -0.2074814 0.4017128 0.6089684), wk = 0.0020080 k( 49) = ( -0.2118958 0.4102599 0.6219252), wk = 0.0020080 k( 50) = ( -0.2163104 0.4188070 0.6348820), wk = 0.0020080 k( 51) = ( -0.2207248 0.4273540 0.6478387), wk = 0.0020080 k( 52) = ( -0.2251393 0.4359011 0.6607955), wk = 0.0020080 k( 53) = ( -0.2295538 0.4444482 0.6737523), wk = 0.0020080 k( 54) = ( -0.2339683 0.4529953 0.6867090), wk = 0.0020080 k( 55) = ( -0.2383828 0.4615424 0.6996658), wk = 0.0020080 k( 56) = ( -0.2427973 0.4700894 0.7126226), wk = 0.0020080 k( 57) = ( -0.2472118 0.4786365 0.7255794), wk = 0.0020080 k( 58) = ( -0.2516263 0.4871836 0.7385361), wk = 0.0020080 k( 59) = ( -0.2560408 0.4957307 0.7514929), wk = 0.0020080 k( 60) = ( -0.2604553 0.5042777 0.7644497), wk = 0.0020080 k( 61) = ( -0.2648698 0.5128248 0.7774065), wk = 0.0020080 k( 62) = ( -0.2692843 0.5213719 0.7903632), wk = 0.0020080 k( 63) = ( -0.2736988 0.5299190 0.8033200), wk = 0.0020080 k( 64) = ( -0.2736988 0.5299190 0.8033200), wk = 0.0020080 k( 65) = ( -0.2677843 0.5184677 0.8128891), wk = 0.0020080 k( 66) = ( -0.2618698 0.5070164 0.8224583), wk = 0.0020080 k( 67) = ( -0.2559553 0.4955650 0.8320274), wk = 0.0020080 k( 68) = ( -0.2500408 0.4841137 0.8415965), wk = 0.0020080 k( 69) = ( -0.2441262 0.4726624 0.8511656), wk = 0.0020080 k( 70) = ( -0.2382117 0.4612111 0.8607347), wk = 0.0020080 k( 71) = ( -0.2322972 0.4497598 0.8703038), wk = 0.0020080 k( 72) = ( -0.2263827 0.4383085 0.8798730), wk = 0.0020080 k( 73) = ( -0.2204682 0.4268572 0.8894421), wk = 0.0020080 k( 74) = ( -0.2145537 0.4154058 0.8990112), wk = 0.0020080 k( 75) = ( -0.2086392 0.4039545 0.9085803), wk = 0.0020080 k( 76) = ( -0.2027247 0.3925032 0.9181494), wk = 0.0020080 k( 77) = ( -0.1968102 0.3810519 0.9277185), wk = 0.0020080 k( 78) = ( -0.1908957 0.3696006 0.9372877), wk = 0.0020080 k( 79) = ( -0.1849812 0.3581493 0.9468568), wk = 0.0020080 k( 80) = ( -0.1790666 0.3466979 0.9564259), wk = 0.0020080 k( 81) = ( -0.1731521 0.3352466 0.9659950), wk = 0.0020080 k( 82) = ( -0.1672376 0.3237953 0.9755641), wk = 0.0020080 k( 83) = ( -0.1613231 0.3123440 0.9851333), wk = 0.0020080 k( 84) = ( -0.1554086 0.3008927 0.9947024), wk = 0.0020080 k( 85) = ( -0.1494941 0.2894414 1.0042715), wk = 0.0020080 k( 86) = ( -0.1435796 0.2779900 1.0138406), wk = 0.0020080 k( 87) = ( -0.1376651 0.2665387 1.0234097), wk = 0.0020080 k( 88) = ( -0.1317505 0.2550874 1.0329789), wk = 0.0020080 k( 89) = ( -0.1258360 0.2436361 1.0425480), wk = 0.0020080 k( 90) = ( -0.1199215 0.2321848 1.0521171), wk = 0.0020080 k( 91) = ( -0.1140070 0.2207335 1.0616862), wk = 0.0020080 k( 92) = ( -0.1080925 0.2092822 1.0712553), wk = 0.0020080 k( 93) = ( -0.1021780 0.1978308 1.0808244), wk = 0.0020080 k( 94) = ( -0.0962635 0.1863795 1.0903936), wk = 0.0020080 k( 95) = ( -0.0903490 0.1749282 1.0999627), wk = 0.0020080 k( 96) = ( -0.0844345 0.1634769 1.1095318), wk = 0.0020080 k( 97) = ( -0.0785200 0.1520256 1.1191009), wk = 0.0020080 k( 98) = ( -0.0726055 0.1405743 1.1286700), wk = 0.0020080 k( 99) = ( -0.0666909 0.1291229 1.1382391), wk = 0.0020080 k( 100) = ( -0.0666909 0.1291229 1.1382391), wk = 0.0020080 k( 101) = ( -0.0592808 0.1147759 1.1382391), wk = 0.0020080 k( 102) = ( -0.0518707 0.1004290 1.1382392), wk = 0.0020080 k( 103) = ( -0.0444606 0.0860820 1.1382392), wk = 0.0020080 k( 104) = ( -0.0370505 0.0717350 1.1382391), wk = 0.0020080 k( 105) = ( -0.0296404 0.0573880 1.1382392), wk = 0.0020080 k( 106) = ( -0.0222303 0.0430410 1.1382391), wk = 0.0020080 k( 107) = ( -0.0148202 0.0286940 1.1382391), wk = 0.0020080 k( 108) = ( -0.0074101 0.0143470 1.1382392), wk = 0.0020080 k( 109) = ( 0.0000000 0.0000000 1.1382392), wk = 0.0020080 k( 110) = ( 0.0000000 0.0000000 1.1382392), wk = 0.0020080 k( 111) = ( 0.0138889 0.0071735 1.1382392), wk = 0.0020080 k( 112) = ( 0.0277778 0.0143470 1.1382392), wk = 0.0020080 k( 113) = ( 0.0416667 0.0215205 1.1382392), wk = 0.0020080 k( 114) = ( 0.0555556 0.0286940 1.1382392), wk = 0.0020080 k( 115) = ( 0.0694444 0.0358675 1.1382392), wk = 0.0020080 k( 116) = ( 0.0833333 0.0430410 1.1382392), wk = 0.0020080 k( 117) = ( 0.0972222 0.0502145 1.1382392), wk = 0.0020080 k( 118) = ( 0.1111111 0.0573880 1.1382392), wk = 0.0020080 k( 119) = ( 0.1250000 0.0645615 1.1382392), wk = 0.0020080 k( 120) = ( 0.1388889 0.0717350 1.1382392), wk = 0.0020080 k( 121) = ( 0.1527778 0.0789085 1.1382392), wk = 0.0020080 k( 122) = ( 0.1666667 0.0860820 1.1382392), wk = 0.0020080 k( 123) = ( 0.1805556 0.0932555 1.1382392), wk = 0.0020080 k( 124) = ( 0.1944444 0.1004290 1.1382392), wk = 0.0020080 k( 125) = ( 0.2083333 0.1076025 1.1382392), wk = 0.0020080 k( 126) = ( 0.2222222 0.1147759 1.1382392), wk = 0.0020080 k( 127) = ( 0.2361111 0.1219494 1.1382392), wk = 0.0020080 k( 128) = ( 0.2500000 0.1291229 1.1382392), wk = 0.0020080 k( 129) = ( 0.2500000 0.1291229 1.1382392), wk = 0.0020080 k( 130) = ( 0.2440476 0.1406476 1.1286088), wk = 0.0020080 k( 131) = ( 0.2380952 0.1521722 1.1189784), wk = 0.0020080 k( 132) = ( 0.2321429 0.1636969 1.1093480), wk = 0.0020080 k( 133) = ( 0.2261905 0.1752215 1.0997176), wk = 0.0020080 k( 134) = ( 0.2202381 0.1867461 1.0900872), wk = 0.0020080 k( 135) = ( 0.2142857 0.1982708 1.0804568), wk = 0.0020080 k( 136) = ( 0.2083333 0.2097954 1.0708264), wk = 0.0020080 k( 137) = ( 0.2023810 0.2213201 1.0611960), wk = 0.0020080 k( 138) = ( 0.1964286 0.2328447 1.0515656), wk = 0.0020080 k( 139) = ( 0.1904762 0.2443693 1.0419353), wk = 0.0020080 k( 140) = ( 0.1845238 0.2558940 1.0323049), wk = 0.0020080 k( 141) = ( 0.1785714 0.2674186 1.0226745), wk = 0.0020080 k( 142) = ( 0.1726190 0.2789432 1.0130441), wk = 0.0020080 k( 143) = ( 0.1666667 0.2904679 1.0034137), wk = 0.0020080 k( 144) = ( 0.1607143 0.3019925 0.9937833), wk = 0.0020080 k( 145) = ( 0.1547619 0.3135172 0.9841529), wk = 0.0020080 k( 146) = ( 0.1488095 0.3250418 0.9745225), wk = 0.0020080 k( 147) = ( 0.1428571 0.3365664 0.9648921), wk = 0.0020080 k( 148) = ( 0.1369048 0.3480911 0.9552618), wk = 0.0020080 k( 149) = ( 0.1309524 0.3596157 0.9456314), wk = 0.0020080 k( 150) = ( 0.1250000 0.3711404 0.9360010), wk = 0.0020080 k( 151) = ( 0.1190476 0.3826650 0.9263706), wk = 0.0020080 k( 152) = ( 0.1130952 0.3941896 0.9167402), wk = 0.0020080 k( 153) = ( 0.1071429 0.4057143 0.9071098), wk = 0.0020080 k( 154) = ( 0.1011905 0.4172389 0.8974794), wk = 0.0020080 k( 155) = ( 0.0952381 0.4287635 0.8878490), wk = 0.0020080 k( 156) = ( 0.0892857 0.4402882 0.8782186), wk = 0.0020080 k( 157) = ( 0.0833333 0.4518128 0.8685882), wk = 0.0020080 k( 158) = ( 0.0773810 0.4633375 0.8589579), wk = 0.0020080 k( 159) = ( 0.0714286 0.4748621 0.8493275), wk = 0.0020080 k( 160) = ( 0.0654762 0.4863867 0.8396971), wk = 0.0020080 k( 161) = ( 0.0595238 0.4979114 0.8300667), wk = 0.0020080 k( 162) = ( 0.0535714 0.5094360 0.8204363), wk = 0.0020080 k( 163) = ( 0.0476191 0.5209606 0.8108059), wk = 0.0020080 k( 164) = ( 0.0416667 0.5324853 0.8011755), wk = 0.0020080 k( 165) = ( 0.0357143 0.5440099 0.7915451), wk = 0.0020080 k( 166) = ( 0.0297619 0.5555346 0.7819147), wk = 0.0020080 k( 167) = ( 0.0238095 0.5670592 0.7722844), wk = 0.0020080 k( 168) = ( 0.0178571 0.5785838 0.7626540), wk = 0.0020080 k( 169) = ( 0.0119048 0.5901085 0.7530236), wk = 0.0020080 k( 170) = ( 0.0059524 0.6016331 0.7433932), wk = 0.0020080 k( 171) = ( 0.0000000 0.6131578 0.7337628), wk = 0.0020080 k( 172) = ( 0.0000000 0.6131578 0.7337628), wk = 0.0020080 k( 173) = ( 0.0144052 0.6175387 0.7301019), wk = 0.0020080 k( 174) = ( 0.0288104 0.6219197 0.7264410), wk = 0.0020080 k( 175) = ( 0.0432156 0.6263007 0.7227801), wk = 0.0020080 k( 176) = ( 0.0576208 0.6306817 0.7191192), wk = 0.0020080 k( 177) = ( 0.0720260 0.6350627 0.7154583), wk = 0.0020080 k( 178) = ( 0.0864312 0.6394437 0.7117974), wk = 0.0020080 k( 179) = ( 0.1008364 0.6438247 0.7081365), wk = 0.0020080 k( 180) = ( 0.1152416 0.6482057 0.7044756), wk = 0.0020080 k( 181) = ( 0.1296468 0.6525866 0.7008147), wk = 0.0020080 k( 182) = ( 0.1440520 0.6569676 0.6971537), wk = 0.0020080 k( 183) = ( 0.1584572 0.6613486 0.6934928), wk = 0.0020080 k( 184) = ( 0.1728624 0.6657296 0.6898319), wk = 0.0020080 k( 185) = ( 0.1872676 0.6701106 0.6861710), wk = 0.0020080 k( 186) = ( 0.2016728 0.6744916 0.6825101), wk = 0.0020080 k( 187) = ( 0.2160780 0.6788726 0.6788492), wk = 0.0020080 k( 188) = ( 0.2304832 0.6832536 0.6751883), wk = 0.0020080 k( 189) = ( 0.2448884 0.6876345 0.6715274), wk = 0.0020080 k( 190) = ( 0.2592936 0.6920155 0.6678665), wk = 0.0020080 k( 191) = ( 0.2736988 0.6963965 0.6642056), wk = 0.0020080 k( 192) = ( 0.2736988 0.6963965 0.6642056), wk = 0.0020080 k( 193) = ( 0.2780508 0.6879705 0.6514324), wk = 0.0020080 k( 194) = ( 0.2824027 0.6795446 0.6386592), wk = 0.0020080 k( 195) = ( 0.2867546 0.6711186 0.6258861), wk = 0.0020080 k( 196) = ( 0.2911066 0.6626926 0.6131129), wk = 0.0020080 k( 197) = ( 0.2954585 0.6542666 0.6003397), wk = 0.0020080 k( 198) = ( 0.2998105 0.6458407 0.5875665), wk = 0.0020080 k( 199) = ( 0.3041624 0.6374147 0.5747933), wk = 0.0020080 k( 200) = ( 0.3085144 0.6289887 0.5620201), wk = 0.0020080 k( 201) = ( 0.3128663 0.6205628 0.5492469), wk = 0.0020080 k( 202) = ( 0.3172183 0.6121368 0.5364737), wk = 0.0020080 k( 203) = ( 0.3215702 0.6037108 0.5237006), wk = 0.0020080 k( 204) = ( 0.3259222 0.5952848 0.5109274), wk = 0.0020080 k( 205) = ( 0.3302741 0.5868589 0.4981542), wk = 0.0020080 k( 206) = ( 0.3346261 0.5784329 0.4853810), wk = 0.0020080 k( 207) = ( 0.3389780 0.5700069 0.4726078), wk = 0.0020080 k( 208) = ( 0.3433299 0.5615809 0.4598346), wk = 0.0020080 k( 209) = ( 0.3476819 0.5531550 0.4470615), wk = 0.0020080 k( 210) = ( 0.3520338 0.5447290 0.4342883), wk = 0.0020080 k( 211) = ( 0.3563858 0.5363030 0.4215151), wk = 0.0020080 k( 212) = ( 0.3607377 0.5278770 0.4087419), wk = 0.0020080 k( 213) = ( 0.3650897 0.5194511 0.3959687), wk = 0.0020080 k( 214) = ( 0.3694416 0.5110251 0.3831955), wk = 0.0020080 k( 215) = ( 0.3737936 0.5025991 0.3704224), wk = 0.0020080 k( 216) = ( 0.3781455 0.4941731 0.3576492), wk = 0.0020080 k( 217) = ( 0.3824975 0.4857472 0.3448760), wk = 0.0020080 k( 218) = ( 0.3868494 0.4773212 0.3321028), wk = 0.0020080 k( 219) = ( 0.3912014 0.4688952 0.3193296), wk = 0.0020080 k( 220) = ( 0.3955533 0.4604693 0.3065564), wk = 0.0020080 k( 221) = ( 0.3999052 0.4520433 0.2937832), wk = 0.0020080 k( 222) = ( 0.4042572 0.4436173 0.2810101), wk = 0.0020080 k( 223) = ( 0.4086091 0.4351913 0.2682369), wk = 0.0020080 k( 224) = ( 0.4129611 0.4267654 0.2554637), wk = 0.0020080 k( 225) = ( 0.4173130 0.4183394 0.2426905), wk = 0.0020080 k( 226) = ( 0.4216650 0.4099134 0.2299173), wk = 0.0020080 k( 227) = ( 0.4260169 0.4014874 0.2171441), wk = 0.0020080 k( 228) = ( 0.4303689 0.3930615 0.2043710), wk = 0.0020080 k( 229) = ( 0.4347208 0.3846355 0.1915978), wk = 0.0020080 k( 230) = ( 0.4390728 0.3762095 0.1788246), wk = 0.0020080 k( 231) = ( 0.4434247 0.3677835 0.1660514), wk = 0.0020080 k( 232) = ( 0.4477766 0.3593576 0.1532782), wk = 0.0020080 k( 233) = ( 0.4521286 0.3509316 0.1405050), wk = 0.0020080 k( 234) = ( 0.4564805 0.3425056 0.1277318), wk = 0.0020080 k( 235) = ( 0.4608325 0.3340796 0.1149586), wk = 0.0020080 k( 236) = ( 0.4651844 0.3256537 0.1021855), wk = 0.0020080 k( 237) = ( 0.4695364 0.3172277 0.0894123), wk = 0.0020080 k( 238) = ( 0.4738883 0.3088017 0.0766391), wk = 0.0020080 k( 239) = ( 0.4782403 0.3003758 0.0638659), wk = 0.0020080 k( 240) = ( 0.4825922 0.2919498 0.0510927), wk = 0.0020080 k( 241) = ( 0.4869442 0.2835238 0.0383196), wk = 0.0020080 k( 242) = ( 0.4912961 0.2750978 0.0255464), wk = 0.0020080 k( 243) = ( 0.4956481 0.2666719 0.0127732), wk = 0.0020080 k( 244) = ( 0.5000000 0.2582459 0.0000000), wk = 0.0020080 k( 245) = ( 0.5000000 0.2582459 0.0000000), wk = 0.0020080 k( 246) = ( 0.4857143 0.2508674 0.0000000), wk = 0.0020080 k( 247) = ( 0.4714286 0.2434890 0.0000000), wk = 0.0020080 k( 248) = ( 0.4571429 0.2361105 -0.0000000), wk = 0.0020080 k( 249) = ( 0.4428571 0.2287321 -0.0000000), wk = 0.0020080 k( 250) = ( 0.4285714 0.2213536 0.0000000), wk = 0.0020080 k( 251) = ( 0.4142857 0.2139752 0.0000000), wk = 0.0020080 k( 252) = ( 0.4000000 0.2065967 0.0000000), wk = 0.0020080 k( 253) = ( 0.3857143 0.1992183 0.0000000), wk = 0.0020080 k( 254) = ( 0.3714286 0.1918398 0.0000000), wk = 0.0020080 k( 255) = ( 0.3571429 0.1844614 0.0000000), wk = 0.0020080 k( 256) = ( 0.3428571 0.1770829 -0.0000000), wk = 0.0020080 k( 257) = ( 0.3285714 0.1697044 0.0000000), wk = 0.0020080 k( 258) = ( 0.3142857 0.1623260 0.0000000), wk = 0.0020080 k( 259) = ( 0.3000000 0.1549475 -0.0000000), wk = 0.0020080 k( 260) = ( 0.2857143 0.1475691 0.0000000), wk = 0.0020080 k( 261) = ( 0.2714286 0.1401906 -0.0000000), wk = 0.0020080 k( 262) = ( 0.2571429 0.1328122 0.0000000), wk = 0.0020080 k( 263) = ( 0.2428571 0.1254337 -0.0000000), wk = 0.0020080 k( 264) = ( 0.2285714 0.1180553 -0.0000000), wk = 0.0020080 k( 265) = ( 0.2142857 0.1106768 0.0000000), wk = 0.0020080 k( 266) = ( 0.2000000 0.1032984 0.0000000), wk = 0.0020080 k( 267) = ( 0.1857143 0.0959199 -0.0000000), wk = 0.0020080 k( 268) = ( 0.1714286 0.0885414 -0.0000000), wk = 0.0020080 k( 269) = ( 0.1571429 0.0811630 0.0000000), wk = 0.0020080 k( 270) = ( 0.1428571 0.0737845 0.0000000), wk = 0.0020080 k( 271) = ( 0.1285714 0.0664061 0.0000000), wk = 0.0020080 k( 272) = ( 0.1142857 0.0590276 0.0000000), wk = 0.0020080 k( 273) = ( 0.1000000 0.0516492 0.0000000), wk = 0.0020080 k( 274) = ( 0.0857143 0.0442707 0.0000000), wk = 0.0020080 k( 275) = ( 0.0714286 0.0368923 0.0000000), wk = 0.0020080 k( 276) = ( 0.0571429 0.0295138 0.0000000), wk = 0.0020080 k( 277) = ( 0.0428571 0.0221354 0.0000000), wk = 0.0020080 k( 278) = ( 0.0285714 0.0147569 0.0000000), wk = 0.0020080 k( 279) = ( 0.0142857 0.0073785 -0.0000000), wk = 0.0020080 k( 280) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020080 k( 281) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020080 k( 282) = ( 0.0058598 -0.0113455 0.0094807), wk = 0.0020080 k( 283) = ( 0.0117197 -0.0226910 0.0189613), wk = 0.0020080 k( 284) = ( 0.0175795 -0.0340364 0.0284420), wk = 0.0020080 k( 285) = ( 0.0234394 -0.0453819 0.0379227), wk = 0.0020080 k( 286) = ( 0.0292992 -0.0567274 0.0474033), wk = 0.0020080 k( 287) = ( 0.0351591 -0.0680728 0.0568840), wk = 0.0020080 k( 288) = ( 0.0410189 -0.0794183 0.0663647), wk = 0.0020080 k( 289) = ( 0.0468787 -0.0907638 0.0758454), wk = 0.0020080 k( 290) = ( 0.0527386 -0.1021092 0.0853260), wk = 0.0020080 k( 291) = ( 0.0585984 -0.1134547 0.0948067), wk = 0.0020080 k( 292) = ( 0.0644583 -0.1248002 0.1042874), wk = 0.0020080 k( 293) = ( 0.0703181 -0.1361457 0.1137680), wk = 0.0020080 k( 294) = ( 0.0761779 -0.1474911 0.1232487), wk = 0.0020080 k( 295) = ( 0.0820378 -0.1588366 0.1327294), wk = 0.0020080 k( 296) = ( 0.0878976 -0.1701821 0.1422101), wk = 0.0020080 k( 297) = ( 0.0937575 -0.1815275 0.1516907), wk = 0.0020080 k( 298) = ( 0.0996173 -0.1928730 0.1611714), wk = 0.0020080 k( 299) = ( 0.1054772 -0.2042185 0.1706521), wk = 0.0020080 k( 300) = ( 0.1113370 -0.2155640 0.1801327), wk = 0.0020080 k( 301) = ( 0.1171969 -0.2269094 0.1896134), wk = 0.0020080 k( 302) = ( 0.1230567 -0.2382549 0.1990941), wk = 0.0020080 k( 303) = ( 0.1289165 -0.2496004 0.2085748), wk = 0.0020080 k( 304) = ( 0.1347764 -0.2609458 0.2180554), wk = 0.0020080 k( 305) = ( 0.1406362 -0.2722913 0.2275361), wk = 0.0020080 k( 306) = ( 0.1464961 -0.2836368 0.2370168), wk = 0.0020080 k( 307) = ( 0.1523559 -0.2949823 0.2464974), wk = 0.0020080 k( 308) = ( 0.1582157 -0.3063277 0.2559781), wk = 0.0020080 k( 309) = ( 0.1640756 -0.3176732 0.2654588), wk = 0.0020080 k( 310) = ( 0.1699354 -0.3290187 0.2749395), wk = 0.0020080 k( 311) = ( 0.1757953 -0.3403641 0.2844201), wk = 0.0020080 k( 312) = ( 0.1816551 -0.3517096 0.2939008), wk = 0.0020080 k( 313) = ( 0.1875150 -0.3630551 0.3033815), wk = 0.0020080 k( 314) = ( 0.1933748 -0.3744006 0.3128621), wk = 0.0020080 k( 315) = ( 0.1992347 -0.3857460 0.3223428), wk = 0.0020080 k( 316) = ( 0.2050945 -0.3970915 0.3318235), wk = 0.0020080 k( 317) = ( 0.2109543 -0.4084370 0.3413042), wk = 0.0020080 k( 318) = ( 0.2168142 -0.4197824 0.3507848), wk = 0.0020080 k( 319) = ( 0.2226740 -0.4311279 0.3602655), wk = 0.0020080 k( 320) = ( 0.2285339 -0.4424734 0.3697462), wk = 0.0020080 k( 321) = ( 0.2343937 -0.4538189 0.3792268), wk = 0.0020080 k( 322) = ( 0.2402536 -0.4651643 0.3887075), wk = 0.0020080 k( 323) = ( 0.2461134 -0.4765098 0.3981882), wk = 0.0020080 k( 324) = ( 0.2519732 -0.4878553 0.4076689), wk = 0.0020080 k( 325) = ( 0.2578331 -0.4992007 0.4171495), wk = 0.0020080 k( 326) = ( 0.2636929 -0.5105462 0.4266302), wk = 0.0020080 k( 327) = ( 0.2695528 -0.5218917 0.4361109), wk = 0.0020080 k( 328) = ( 0.2754126 -0.5332372 0.4455915), wk = 0.0020080 k( 329) = ( 0.2812725 -0.5445826 0.4550722), wk = 0.0020080 k( 330) = ( 0.2871323 -0.5559281 0.4645529), wk = 0.0020080 k( 331) = ( 0.2929921 -0.5672736 0.4740335), wk = 0.0020080 k( 332) = ( 0.2929921 -0.5672736 0.4740335), wk = 0.0020080 k( 333) = ( 0.3038873 -0.5560966 0.4703727), wk = 0.0020080 k( 334) = ( 0.3147824 -0.5449197 0.4667117), wk = 0.0020080 k( 335) = ( 0.3256776 -0.5337428 0.4630508), wk = 0.0020080 k( 336) = ( 0.3365727 -0.5225658 0.4593899), wk = 0.0020080 k( 337) = ( 0.3474679 -0.5113889 0.4557290), wk = 0.0020080 k( 338) = ( 0.3583630 -0.5002120 0.4520681), wk = 0.0020080 k( 339) = ( 0.3692582 -0.4890350 0.4484072), wk = 0.0020080 k( 340) = ( 0.3801533 -0.4778581 0.4447463), wk = 0.0020080 k( 341) = ( 0.3910485 -0.4666812 0.4410854), wk = 0.0020080 k( 342) = ( 0.4019436 -0.4555043 0.4374245), wk = 0.0020080 k( 343) = ( 0.4128388 -0.4443273 0.4337636), wk = 0.0020080 k( 344) = ( 0.4237339 -0.4331504 0.4301027), wk = 0.0020080 k( 345) = ( 0.4346291 -0.4219735 0.4264418), wk = 0.0020080 k( 346) = ( 0.4455243 -0.4107965 0.4227809), wk = 0.0020080 k( 347) = ( 0.4564194 -0.3996196 0.4191200), wk = 0.0020080 k( 348) = ( 0.4673145 -0.3884427 0.4154591), wk = 0.0020080 k( 349) = ( 0.4782097 -0.3772657 0.4117982), wk = 0.0020080 k( 350) = ( 0.4891048 -0.3660888 0.4081373), wk = 0.0020080 k( 351) = ( 0.5000000 -0.3549119 0.4044763), wk = 0.0020080 k( 352) = ( 0.5000000 -0.3549119 0.4044763), wk = 0.0020080 k( 353) = ( 0.4956140 -0.3464200 0.4173494), wk = 0.0020080 k( 354) = ( 0.4912281 -0.3379282 0.4302224), wk = 0.0020080 k( 355) = ( 0.4868421 -0.3294364 0.4430954), wk = 0.0020080 k( 356) = ( 0.4824561 -0.3209445 0.4559685), wk = 0.0020080 k( 357) = ( 0.4780702 -0.3124527 0.4688415), wk = 0.0020080 k( 358) = ( 0.4736842 -0.3039608 0.4817145), wk = 0.0020080 k( 359) = ( 0.4692982 -0.2954690 0.4945876), wk = 0.0020080 k( 360) = ( 0.4649123 -0.2869772 0.5074606), wk = 0.0020080 k( 361) = ( 0.4605263 -0.2784853 0.5203336), wk = 0.0020080 k( 362) = ( 0.4561404 -0.2699935 0.5332067), wk = 0.0020080 k( 363) = ( 0.4517544 -0.2615016 0.5460797), wk = 0.0020080 k( 364) = ( 0.4473684 -0.2530098 0.5589527), wk = 0.0020080 k( 365) = ( 0.4429825 -0.2445180 0.5718257), wk = 0.0020080 k( 366) = ( 0.4385965 -0.2360261 0.5846988), wk = 0.0020080 k( 367) = ( 0.4342105 -0.2275343 0.5975718), wk = 0.0020080 k( 368) = ( 0.4298246 -0.2190424 0.6104449), wk = 0.0020080 k( 369) = ( 0.4254386 -0.2105506 0.6233179), wk = 0.0020080 k( 370) = ( 0.4210526 -0.2020588 0.6361909), wk = 0.0020080 k( 371) = ( 0.4166667 -0.1935669 0.6490639), wk = 0.0020080 k( 372) = ( 0.4122807 -0.1850751 0.6619370), wk = 0.0020080 k( 373) = ( 0.4078947 -0.1765833 0.6748100), wk = 0.0020080 k( 374) = ( 0.4035088 -0.1680914 0.6876830), wk = 0.0020080 k( 375) = ( 0.3991228 -0.1595996 0.7005561), wk = 0.0020080 k( 376) = ( 0.3947368 -0.1511077 0.7134291), wk = 0.0020080 k( 377) = ( 0.3903509 -0.1426159 0.7263021), wk = 0.0020080 k( 378) = ( 0.3859649 -0.1341241 0.7391752), wk = 0.0020080 k( 379) = ( 0.3815789 -0.1256322 0.7520482), wk = 0.0020080 k( 380) = ( 0.3771930 -0.1171404 0.7649212), wk = 0.0020080 k( 381) = ( 0.3728070 -0.1086485 0.7777943), wk = 0.0020080 k( 382) = ( 0.3684211 -0.1001567 0.7906673), wk = 0.0020080 k( 383) = ( 0.3640351 -0.0916649 0.8035403), wk = 0.0020080 k( 384) = ( 0.3596491 -0.0831730 0.8164134), wk = 0.0020080 k( 385) = ( 0.3552632 -0.0746812 0.8292864), wk = 0.0020080 k( 386) = ( 0.3508772 -0.0661893 0.8421594), wk = 0.0020080 k( 387) = ( 0.3464912 -0.0576975 0.8550324), wk = 0.0020080 k( 388) = ( 0.3421053 -0.0492057 0.8679055), wk = 0.0020080 k( 389) = ( 0.3377193 -0.0407138 0.8807785), wk = 0.0020080 k( 390) = ( 0.3333333 -0.0322220 0.8936516), wk = 0.0020080 k( 391) = ( 0.3289474 -0.0237302 0.9065246), wk = 0.0020080 k( 392) = ( 0.3245614 -0.0152383 0.9193976), wk = 0.0020080 k( 393) = ( 0.3201754 -0.0067465 0.9322706), wk = 0.0020080 k( 394) = ( 0.3157895 0.0017454 0.9451437), wk = 0.0020080 k( 395) = ( 0.3114035 0.0102372 0.9580167), wk = 0.0020080 k( 396) = ( 0.3070175 0.0187290 0.9708898), wk = 0.0020080 k( 397) = ( 0.3026316 0.0272209 0.9837628), wk = 0.0020080 k( 398) = ( 0.2982456 0.0357127 0.9966358), wk = 0.0020080 k( 399) = ( 0.2938596 0.0442046 1.0095088), wk = 0.0020080 k( 400) = ( 0.2894737 0.0526964 1.0223819), wk = 0.0020080 k( 401) = ( 0.2850877 0.0611882 1.0352549), wk = 0.0020080 k( 402) = ( 0.2807018 0.0696801 1.0481279), wk = 0.0020080 k( 403) = ( 0.2763158 0.0781719 1.0610010), wk = 0.0020080 k( 404) = ( 0.2719298 0.0866638 1.0738740), wk = 0.0020080 k( 405) = ( 0.2675439 0.0951556 1.0867470), wk = 0.0020080 k( 406) = ( 0.2631579 0.1036474 1.0996201), wk = 0.0020080 k( 407) = ( 0.2587719 0.1121393 1.1124931), wk = 0.0020080 k( 408) = ( 0.2543860 0.1206311 1.1253661), wk = 0.0020080 k( 409) = ( 0.2500000 0.1291229 1.1382392), wk = 0.0020080 k( 410) = ( 0.0666909 -0.1291229 1.1382392), wk = 0.0020080 k( 411) = ( 0.0710429 -0.1375489 1.1254660), wk = 0.0020080 k( 412) = ( 0.0753948 -0.1459749 1.1126928), wk = 0.0020080 k( 413) = ( 0.0797468 -0.1544009 1.0999196), wk = 0.0020080 k( 414) = ( 0.0840987 -0.1628268 1.0871464), wk = 0.0020080 k( 415) = ( 0.0884507 -0.1712528 1.0743732), wk = 0.0020080 k( 416) = ( 0.0928026 -0.1796788 1.0616000), wk = 0.0020080 k( 417) = ( 0.0971546 -0.1881048 1.0488269), wk = 0.0020080 k( 418) = ( 0.1015065 -0.1965307 1.0360537), wk = 0.0020080 k( 419) = ( 0.1058585 -0.2049567 1.0232805), wk = 0.0020080 k( 420) = ( 0.1102104 -0.2133827 1.0105073), wk = 0.0020080 k( 421) = ( 0.1145623 -0.2218087 0.9977341), wk = 0.0020080 k( 422) = ( 0.1189143 -0.2302346 0.9849609), wk = 0.0020080 k( 423) = ( 0.1232662 -0.2386606 0.9721877), wk = 0.0020080 k( 424) = ( 0.1276182 -0.2470866 0.9594146), wk = 0.0020080 k( 425) = ( 0.1319701 -0.2555125 0.9466414), wk = 0.0020080 k( 426) = ( 0.1363221 -0.2639385 0.9338682), wk = 0.0020080 k( 427) = ( 0.1406740 -0.2723645 0.9210950), wk = 0.0020080 k( 428) = ( 0.1450260 -0.2807905 0.9083218), wk = 0.0020080 k( 429) = ( 0.1493779 -0.2892164 0.8955486), wk = 0.0020080 k( 430) = ( 0.1537299 -0.2976424 0.8827755), wk = 0.0020080 k( 431) = ( 0.1580818 -0.3060684 0.8700023), wk = 0.0020080 k( 432) = ( 0.1624337 -0.3144944 0.8572291), wk = 0.0020080 k( 433) = ( 0.1667857 -0.3229203 0.8444559), wk = 0.0020080 k( 434) = ( 0.1711376 -0.3313463 0.8316827), wk = 0.0020080 k( 435) = ( 0.1754896 -0.3397723 0.8189095), wk = 0.0020080 k( 436) = ( 0.1798415 -0.3481983 0.8061363), wk = 0.0020080 k( 437) = ( 0.1841935 -0.3566242 0.7933632), wk = 0.0020080 k( 438) = ( 0.1885454 -0.3650502 0.7805900), wk = 0.0020080 k( 439) = ( 0.1928974 -0.3734762 0.7678168), wk = 0.0020080 k( 440) = ( 0.1972493 -0.3819021 0.7550436), wk = 0.0020080 k( 441) = ( 0.2016013 -0.3903281 0.7422704), wk = 0.0020080 k( 442) = ( 0.2059532 -0.3987541 0.7294973), wk = 0.0020080 k( 443) = ( 0.2103052 -0.4071801 0.7167241), wk = 0.0020080 k( 444) = ( 0.2146571 -0.4156061 0.7039509), wk = 0.0020080 k( 445) = ( 0.2190091 -0.4240320 0.6911777), wk = 0.0020080 k( 446) = ( 0.2233610 -0.4324580 0.6784045), wk = 0.0020080 k( 447) = ( 0.2277129 -0.4408840 0.6656313), wk = 0.0020080 k( 448) = ( 0.2320649 -0.4493099 0.6528581), wk = 0.0020080 k( 449) = ( 0.2364168 -0.4577359 0.6400849), wk = 0.0020080 k( 450) = ( 0.2407688 -0.4661619 0.6273118), wk = 0.0020080 k( 451) = ( 0.2451207 -0.4745879 0.6145386), wk = 0.0020080 k( 452) = ( 0.2494727 -0.4830138 0.6017654), wk = 0.0020080 k( 453) = ( 0.2538246 -0.4914398 0.5889922), wk = 0.0020080 k( 454) = ( 0.2581766 -0.4998658 0.5762190), wk = 0.0020080 k( 455) = ( 0.2625285 -0.5082918 0.5634459), wk = 0.0020080 k( 456) = ( 0.2668805 -0.5167177 0.5506727), wk = 0.0020080 k( 457) = ( 0.2712324 -0.5251437 0.5378995), wk = 0.0020080 k( 458) = ( 0.2755843 -0.5335697 0.5251263), wk = 0.0020080 k( 459) = ( 0.2799363 -0.5419957 0.5123531), wk = 0.0020080 k( 460) = ( 0.2842882 -0.5504216 0.4995799), wk = 0.0020080 k( 461) = ( 0.2886402 -0.5588476 0.4868067), wk = 0.0020080 k( 462) = ( 0.2929921 -0.5672736 0.4740335), wk = 0.0020080 k( 463) = ( 0.7070079 -0.1425502 0.3349191), wk = 0.0020080 k( 464) = ( 0.7010934 -0.1310989 0.3253500), wk = 0.0020080 k( 465) = ( 0.6951788 -0.1196475 0.3157809), wk = 0.0020080 k( 466) = ( 0.6892643 -0.1081962 0.3062118), wk = 0.0020080 k( 467) = ( 0.6833498 -0.0967449 0.2966427), wk = 0.0020080 k( 468) = ( 0.6774353 -0.0852936 0.2870735), wk = 0.0020080 k( 469) = ( 0.6715208 -0.0738423 0.2775044), wk = 0.0020080 k( 470) = ( 0.6656063 -0.0623909 0.2679353), wk = 0.0020080 k( 471) = ( 0.6596918 -0.0509396 0.2583662), wk = 0.0020080 k( 472) = ( 0.6537773 -0.0394883 0.2487971), wk = 0.0020080 k( 473) = ( 0.6478628 -0.0280370 0.2392280), wk = 0.0020080 k( 474) = ( 0.6419482 -0.0165857 0.2296588), wk = 0.0020080 k( 475) = ( 0.6360337 -0.0051344 0.2200897), wk = 0.0020080 k( 476) = ( 0.6301192 0.0063169 0.2105206), wk = 0.0020080 k( 477) = ( 0.6242047 0.0177683 0.2009515), wk = 0.0020080 k( 478) = ( 0.6182902 0.0292196 0.1913824), wk = 0.0020080 k( 479) = ( 0.6123757 0.0406709 0.1818133), wk = 0.0020080 k( 480) = ( 0.6064612 0.0521222 0.1722441), wk = 0.0020080 k( 481) = ( 0.6005467 0.0635735 0.1626750), wk = 0.0020080 k( 482) = ( 0.5946322 0.0750248 0.1531059), wk = 0.0020080 k( 483) = ( 0.5887177 0.0864761 0.1435368), wk = 0.0020080 k( 484) = ( 0.5828032 0.0979275 0.1339677), wk = 0.0020080 k( 485) = ( 0.5768886 0.1093788 0.1243985), wk = 0.0020080 k( 486) = ( 0.5709741 0.1208301 0.1148294), wk = 0.0020080 k( 487) = ( 0.5650596 0.1322814 0.1052603), wk = 0.0020080 k( 488) = ( 0.5591451 0.1437327 0.0956912), wk = 0.0020080 k( 489) = ( 0.5532306 0.1551841 0.0861221), wk = 0.0020080 k( 490) = ( 0.5473161 0.1666354 0.0765529), wk = 0.0020080 k( 491) = ( 0.5414016 0.1780867 0.0669838), wk = 0.0020080 k( 492) = ( 0.5354871 0.1895380 0.0574147), wk = 0.0020080 k( 493) = ( 0.5295726 0.2009893 0.0478456), wk = 0.0020080 k( 494) = ( 0.5236580 0.2124406 0.0382765), wk = 0.0020080 k( 495) = ( 0.5177435 0.2238919 0.0287074), wk = 0.0020080 k( 496) = ( 0.5118290 0.2353433 0.0191382), wk = 0.0020080 k( 497) = ( 0.5059145 0.2467946 0.0095691), wk = 0.0020080 k( 498) = ( 0.5000000 0.2582459 0.0000000), wk = 0.0020080 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020080 k( 2) = ( -0.0044145 0.0044145 0.0044145), wk = 0.0020080 k( 3) = ( -0.0088290 0.0088290 0.0088290), wk = 0.0020080 k( 4) = ( -0.0132435 0.0132435 0.0132435), wk = 0.0020080 k( 5) = ( -0.0176580 0.0176580 0.0176580), wk = 0.0020080 k( 6) = ( -0.0220725 0.0220725 0.0220725), wk = 0.0020080 k( 7) = ( -0.0264870 0.0264870 0.0264870), wk = 0.0020080 k( 8) = ( -0.0309015 0.0309015 0.0309015), wk = 0.0020080 k( 9) = ( -0.0353160 0.0353160 0.0353160), wk = 0.0020080 k( 10) = ( -0.0397305 0.0397305 0.0397305), wk = 0.0020080 k( 11) = ( -0.0441450 0.0441450 0.0441450), wk = 0.0020080 k( 12) = ( -0.0485595 0.0485595 0.0485595), wk = 0.0020080 k( 13) = ( -0.0529740 0.0529740 0.0529740), wk = 0.0020080 k( 14) = ( -0.0573885 0.0573885 0.0573885), wk = 0.0020080 k( 15) = ( -0.0618030 0.0618030 0.0618030), wk = 0.0020080 k( 16) = ( -0.0662174 0.0662174 0.0662175), wk = 0.0020080 k( 17) = ( -0.0706319 0.0706319 0.0706320), wk = 0.0020080 k( 18) = ( -0.0750465 0.0750465 0.0750465), wk = 0.0020080 k( 19) = ( -0.0794609 0.0794609 0.0794609), wk = 0.0020080 k( 20) = ( -0.0838754 0.0838754 0.0838754), wk = 0.0020080 k( 21) = ( -0.0882899 0.0882899 0.0882899), wk = 0.0020080 k( 22) = ( -0.0927044 0.0927044 0.0927044), wk = 0.0020080 k( 23) = ( -0.0971189 0.0971189 0.0971189), wk = 0.0020080 k( 24) = ( -0.1015334 0.1015334 0.1015334), wk = 0.0020080 k( 25) = ( -0.1059479 0.1059479 0.1059479), wk = 0.0020080 k( 26) = ( -0.1103624 0.1103624 0.1103624), wk = 0.0020080 k( 27) = ( -0.1147769 0.1147769 0.1147769), wk = 0.0020080 k( 28) = ( -0.1191914 0.1191914 0.1191914), wk = 0.0020080 k( 29) = ( -0.1236059 0.1236059 0.1236059), wk = 0.0020080 k( 30) = ( -0.1280204 0.1280204 0.1280204), wk = 0.0020080 k( 31) = ( -0.1324349 0.1324349 0.1324349), wk = 0.0020080 k( 32) = ( -0.1368494 0.1368494 0.1368494), wk = 0.0020080 k( 33) = ( -0.1412639 0.1412639 0.1412639), wk = 0.0020080 k( 34) = ( -0.1456784 0.1456784 0.1456784), wk = 0.0020080 k( 35) = ( -0.1500929 0.1500929 0.1500929), wk = 0.0020080 k( 36) = ( -0.1545074 0.1545074 0.1545074), wk = 0.0020080 k( 37) = ( -0.1589219 0.1589219 0.1589219), wk = 0.0020080 k( 38) = ( -0.1633364 0.1633364 0.1633364), wk = 0.0020080 k( 39) = ( -0.1677509 0.1677509 0.1677509), wk = 0.0020080 k( 40) = ( -0.1721654 0.1721654 0.1721654), wk = 0.0020080 k( 41) = ( -0.1765799 0.1765799 0.1765799), wk = 0.0020080 k( 42) = ( -0.1809944 0.1809944 0.1809944), wk = 0.0020080 k( 43) = ( -0.1854089 0.1854089 0.1854089), wk = 0.0020080 k( 44) = ( -0.1898234 0.1898234 0.1898234), wk = 0.0020080 k( 45) = ( -0.1942379 0.1942379 0.1942379), wk = 0.0020080 k( 46) = ( -0.1986524 0.1986524 0.1986524), wk = 0.0020080 k( 47) = ( -0.2030669 0.2030669 0.2030669), wk = 0.0020080 k( 48) = ( -0.2074814 0.2074813 0.2074814), wk = 0.0020080 k( 49) = ( -0.2118958 0.2118958 0.2118959), wk = 0.0020080 k( 50) = ( -0.2163104 0.2163103 0.2163104), wk = 0.0020080 k( 51) = ( -0.2207248 0.2207248 0.2207248), wk = 0.0020080 k( 52) = ( -0.2251393 0.2251393 0.2251393), wk = 0.0020080 k( 53) = ( -0.2295538 0.2295538 0.2295538), wk = 0.0020080 k( 54) = ( -0.2339683 0.2339683 0.2339683), wk = 0.0020080 k( 55) = ( -0.2383828 0.2383828 0.2383828), wk = 0.0020080 k( 56) = ( -0.2427973 0.2427973 0.2427973), wk = 0.0020080 k( 57) = ( -0.2472118 0.2472118 0.2472118), wk = 0.0020080 k( 58) = ( -0.2516263 0.2516263 0.2516263), wk = 0.0020080 k( 59) = ( -0.2560408 0.2560408 0.2560408), wk = 0.0020080 k( 60) = ( -0.2604553 0.2604553 0.2604553), wk = 0.0020080 k( 61) = ( -0.2648698 0.2648698 0.2648698), wk = 0.0020080 k( 62) = ( -0.2692843 0.2692843 0.2692843), wk = 0.0020080 k( 63) = ( -0.2736988 0.2736988 0.2736988), wk = 0.0020080 k( 64) = ( -0.2736988 0.2736988 0.2736988), wk = 0.0020080 k( 65) = ( -0.2677843 0.2677843 0.2796133), wk = 0.0020080 k( 66) = ( -0.2618698 0.2618698 0.2855278), wk = 0.0020080 k( 67) = ( -0.2559553 0.2559553 0.2914423), wk = 0.0020080 k( 68) = ( -0.2500408 0.2500408 0.2973569), wk = 0.0020080 k( 69) = ( -0.2441262 0.2441262 0.3032714), wk = 0.0020080 k( 70) = ( -0.2382117 0.2382117 0.3091859), wk = 0.0020080 k( 71) = ( -0.2322972 0.2322972 0.3151004), wk = 0.0020080 k( 72) = ( -0.2263827 0.2263827 0.3210149), wk = 0.0020080 k( 73) = ( -0.2204682 0.2204682 0.3269294), wk = 0.0020080 k( 74) = ( -0.2145537 0.2145537 0.3328439), wk = 0.0020080 k( 75) = ( -0.2086392 0.2086392 0.3387584), wk = 0.0020080 k( 76) = ( -0.2027247 0.2027247 0.3446729), wk = 0.0020080 k( 77) = ( -0.1968102 0.1968102 0.3505874), wk = 0.0020080 k( 78) = ( -0.1908957 0.1908957 0.3565020), wk = 0.0020080 k( 79) = ( -0.1849812 0.1849811 0.3624165), wk = 0.0020080 k( 80) = ( -0.1790666 0.1790666 0.3683310), wk = 0.0020080 k( 81) = ( -0.1731521 0.1731521 0.3742455), wk = 0.0020080 k( 82) = ( -0.1672376 0.1672376 0.3801600), wk = 0.0020080 k( 83) = ( -0.1613231 0.1613231 0.3860745), wk = 0.0020080 k( 84) = ( -0.1554086 0.1554086 0.3919890), wk = 0.0020080 k( 85) = ( -0.1494941 0.1494941 0.3979035), wk = 0.0020080 k( 86) = ( -0.1435796 0.1435796 0.4038180), wk = 0.0020080 k( 87) = ( -0.1376651 0.1376651 0.4097326), wk = 0.0020080 k( 88) = ( -0.1317505 0.1317505 0.4156471), wk = 0.0020080 k( 89) = ( -0.1258360 0.1258360 0.4215616), wk = 0.0020080 k( 90) = ( -0.1199215 0.1199215 0.4274761), wk = 0.0020080 k( 91) = ( -0.1140070 0.1140070 0.4333906), wk = 0.0020080 k( 92) = ( -0.1080925 0.1080925 0.4393051), wk = 0.0020080 k( 93) = ( -0.1021780 0.1021780 0.4452196), wk = 0.0020080 k( 94) = ( -0.0962635 0.0962635 0.4511341), wk = 0.0020080 k( 95) = ( -0.0903490 0.0903490 0.4570486), wk = 0.0020080 k( 96) = ( -0.0844345 0.0844345 0.4629631), wk = 0.0020080 k( 97) = ( -0.0785200 0.0785200 0.4688777), wk = 0.0020080 k( 98) = ( -0.0726055 0.0726054 0.4747922), wk = 0.0020080 k( 99) = ( -0.0666909 0.0666909 0.4807067), wk = 0.0020080 k( 100) = ( -0.0666909 0.0666909 0.4807067), wk = 0.0020080 k( 101) = ( -0.0592808 0.0592808 0.4828504), wk = 0.0020080 k( 102) = ( -0.0518707 0.0518707 0.4849941), wk = 0.0020080 k( 103) = ( -0.0444606 0.0444606 0.4871378), wk = 0.0020080 k( 104) = ( -0.0370505 0.0370505 0.4892815), wk = 0.0020080 k( 105) = ( -0.0296404 0.0296404 0.4914252), wk = 0.0020080 k( 106) = ( -0.0222303 0.0222303 0.4935689), wk = 0.0020080 k( 107) = ( -0.0148202 0.0148202 0.4957126), wk = 0.0020080 k( 108) = ( -0.0074101 0.0074101 0.4978563), wk = 0.0020080 k( 109) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020080 k( 110) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020080 k( 111) = ( 0.0138889 0.0138889 0.4861111), wk = 0.0020080 k( 112) = ( 0.0277778 0.0277778 0.4722222), wk = 0.0020080 k( 113) = ( 0.0416667 0.0416667 0.4583333), wk = 0.0020080 k( 114) = ( 0.0555556 0.0555556 0.4444444), wk = 0.0020080 k( 115) = ( 0.0694444 0.0694444 0.4305556), wk = 0.0020080 k( 116) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0020080 k( 117) = ( 0.0972222 0.0972222 0.4027778), wk = 0.0020080 k( 118) = ( 0.1111111 0.1111111 0.3888889), wk = 0.0020080 k( 119) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0020080 k( 120) = ( 0.1388889 0.1388889 0.3611111), wk = 0.0020080 k( 121) = ( 0.1527778 0.1527778 0.3472222), wk = 0.0020080 k( 122) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0020080 k( 123) = ( 0.1805556 0.1805556 0.3194444), wk = 0.0020080 k( 124) = ( 0.1944444 0.1944444 0.3055556), wk = 0.0020080 k( 125) = ( 0.2083333 0.2083333 0.2916667), wk = 0.0020080 k( 126) = ( 0.2222222 0.2222222 0.2777778), wk = 0.0020080 k( 127) = ( 0.2361111 0.2361111 0.2638889), wk = 0.0020080 k( 128) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0020080 k( 129) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0020080 k( 130) = ( 0.2440476 0.2559524 0.2440476), wk = 0.0020080 k( 131) = ( 0.2380952 0.2619048 0.2380952), wk = 0.0020080 k( 132) = ( 0.2321429 0.2678571 0.2321429), wk = 0.0020080 k( 133) = ( 0.2261905 0.2738095 0.2261905), wk = 0.0020080 k( 134) = ( 0.2202381 0.2797619 0.2202381), wk = 0.0020080 k( 135) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0020080 k( 136) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0020080 k( 137) = ( 0.2023810 0.2976190 0.2023809), wk = 0.0020080 k( 138) = ( 0.1964286 0.3035714 0.1964286), wk = 0.0020080 k( 139) = ( 0.1904762 0.3095238 0.1904762), wk = 0.0020080 k( 140) = ( 0.1845238 0.3154762 0.1845238), wk = 0.0020080 k( 141) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0020080 k( 142) = ( 0.1726190 0.3273809 0.1726190), wk = 0.0020080 k( 143) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0020080 k( 144) = ( 0.1607143 0.3392857 0.1607143), wk = 0.0020080 k( 145) = ( 0.1547619 0.3452381 0.1547619), wk = 0.0020080 k( 146) = ( 0.1488095 0.3511905 0.1488095), wk = 0.0020080 k( 147) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0020080 k( 148) = ( 0.1369048 0.3630952 0.1369048), wk = 0.0020080 k( 149) = ( 0.1309524 0.3690476 0.1309524), wk = 0.0020080 k( 150) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0020080 k( 151) = ( 0.1190476 0.3809524 0.1190476), wk = 0.0020080 k( 152) = ( 0.1130952 0.3869048 0.1130952), wk = 0.0020080 k( 153) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0020080 k( 154) = ( 0.1011905 0.3988095 0.1011905), wk = 0.0020080 k( 155) = ( 0.0952381 0.4047619 0.0952381), wk = 0.0020080 k( 156) = ( 0.0892857 0.4107143 0.0892857), wk = 0.0020080 k( 157) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0020080 k( 158) = ( 0.0773810 0.4226190 0.0773810), wk = 0.0020080 k( 159) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0020080 k( 160) = ( 0.0654762 0.4345238 0.0654762), wk = 0.0020080 k( 161) = ( 0.0595238 0.4404762 0.0595238), wk = 0.0020080 k( 162) = ( 0.0535714 0.4464286 0.0535714), wk = 0.0020080 k( 163) = ( 0.0476191 0.4523809 0.0476191), wk = 0.0020080 k( 164) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0020080 k( 165) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0020080 k( 166) = ( 0.0297619 0.4702381 0.0297619), wk = 0.0020080 k( 167) = ( 0.0238095 0.4761905 0.0238095), wk = 0.0020080 k( 168) = ( 0.0178571 0.4821429 0.0178571), wk = 0.0020080 k( 169) = ( 0.0119048 0.4880952 0.0119048), wk = 0.0020080 k( 170) = ( 0.0059524 0.4940476 0.0059524), wk = 0.0020080 k( 171) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0020080 k( 172) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0020080 k( 173) = ( 0.0144052 0.5119106 -0.0144052), wk = 0.0020080 k( 174) = ( 0.0288104 0.5238212 -0.0288104), wk = 0.0020080 k( 175) = ( 0.0432156 0.5357318 -0.0432156), wk = 0.0020080 k( 176) = ( 0.0576208 0.5476424 -0.0576208), wk = 0.0020080 k( 177) = ( 0.0720260 0.5595530 -0.0720260), wk = 0.0020080 k( 178) = ( 0.0864312 0.5714635 -0.0864312), wk = 0.0020080 k( 179) = ( 0.1008364 0.5833741 -0.1008364), wk = 0.0020080 k( 180) = ( 0.1152416 0.5952847 -0.1152416), wk = 0.0020080 k( 181) = ( 0.1296468 0.6071953 -0.1296468), wk = 0.0020080 k( 182) = ( 0.1440520 0.6191059 -0.1440520), wk = 0.0020080 k( 183) = ( 0.1584572 0.6310165 -0.1584572), wk = 0.0020080 k( 184) = ( 0.1728624 0.6429271 -0.1728624), wk = 0.0020080 k( 185) = ( 0.1872676 0.6548377 -0.1872676), wk = 0.0020080 k( 186) = ( 0.2016728 0.6667483 -0.2016728), wk = 0.0020080 k( 187) = ( 0.2160780 0.6786588 -0.2160780), wk = 0.0020080 k( 188) = ( 0.2304832 0.6905694 -0.2304832), wk = 0.0020080 k( 189) = ( 0.2448884 0.7024800 -0.2448884), wk = 0.0020080 k( 190) = ( 0.2592936 0.7143906 -0.2592936), wk = 0.0020080 k( 191) = ( 0.2736988 0.7263012 -0.2736988), wk = 0.0020080 k( 192) = ( 0.2736988 0.7263012 -0.2736988), wk = 0.0020080 k( 193) = ( 0.2780508 0.7219492 -0.2780508), wk = 0.0020080 k( 194) = ( 0.2824027 0.7175973 -0.2824027), wk = 0.0020080 k( 195) = ( 0.2867546 0.7132454 -0.2867546), wk = 0.0020080 k( 196) = ( 0.2911066 0.7088934 -0.2911066), wk = 0.0020080 k( 197) = ( 0.2954585 0.7045415 -0.2954585), wk = 0.0020080 k( 198) = ( 0.2998105 0.7001895 -0.2998105), wk = 0.0020080 k( 199) = ( 0.3041624 0.6958376 -0.3041624), wk = 0.0020080 k( 200) = ( 0.3085144 0.6914856 -0.3085144), wk = 0.0020080 k( 201) = ( 0.3128663 0.6871337 -0.3128663), wk = 0.0020080 k( 202) = ( 0.3172183 0.6827817 -0.3172183), wk = 0.0020080 k( 203) = ( 0.3215702 0.6784298 -0.3215702), wk = 0.0020080 k( 204) = ( 0.3259222 0.6740778 -0.3259222), wk = 0.0020080 k( 205) = ( 0.3302741 0.6697259 -0.3302741), wk = 0.0020080 k( 206) = ( 0.3346261 0.6653739 -0.3346261), wk = 0.0020080 k( 207) = ( 0.3389780 0.6610220 -0.3389780), wk = 0.0020080 k( 208) = ( 0.3433299 0.6566701 -0.3433299), wk = 0.0020080 k( 209) = ( 0.3476819 0.6523181 -0.3476819), wk = 0.0020080 k( 210) = ( 0.3520338 0.6479662 -0.3520338), wk = 0.0020080 k( 211) = ( 0.3563858 0.6436142 -0.3563858), wk = 0.0020080 k( 212) = ( 0.3607377 0.6392623 -0.3607377), wk = 0.0020080 k( 213) = ( 0.3650897 0.6349103 -0.3650897), wk = 0.0020080 k( 214) = ( 0.3694416 0.6305584 -0.3694416), wk = 0.0020080 k( 215) = ( 0.3737936 0.6262064 -0.3737936), wk = 0.0020080 k( 216) = ( 0.3781455 0.6218545 -0.3781455), wk = 0.0020080 k( 217) = ( 0.3824975 0.6175025 -0.3824975), wk = 0.0020080 k( 218) = ( 0.3868494 0.6131506 -0.3868494), wk = 0.0020080 k( 219) = ( 0.3912014 0.6087986 -0.3912014), wk = 0.0020080 k( 220) = ( 0.3955533 0.6044467 -0.3955533), wk = 0.0020080 k( 221) = ( 0.3999052 0.6000948 -0.3999052), wk = 0.0020080 k( 222) = ( 0.4042572 0.5957428 -0.4042572), wk = 0.0020080 k( 223) = ( 0.4086091 0.5913909 -0.4086091), wk = 0.0020080 k( 224) = ( 0.4129611 0.5870389 -0.4129611), wk = 0.0020080 k( 225) = ( 0.4173130 0.5826870 -0.4173130), wk = 0.0020080 k( 226) = ( 0.4216650 0.5783350 -0.4216650), wk = 0.0020080 k( 227) = ( 0.4260169 0.5739831 -0.4260169), wk = 0.0020080 k( 228) = ( 0.4303689 0.5696311 -0.4303689), wk = 0.0020080 k( 229) = ( 0.4347208 0.5652792 -0.4347208), wk = 0.0020080 k( 230) = ( 0.4390728 0.5609272 -0.4390728), wk = 0.0020080 k( 231) = ( 0.4434247 0.5565753 -0.4434247), wk = 0.0020080 k( 232) = ( 0.4477766 0.5522234 -0.4477767), wk = 0.0020080 k( 233) = ( 0.4521286 0.5478714 -0.4521286), wk = 0.0020080 k( 234) = ( 0.4564805 0.5435195 -0.4564805), wk = 0.0020080 k( 235) = ( 0.4608325 0.5391675 -0.4608325), wk = 0.0020080 k( 236) = ( 0.4651844 0.5348156 -0.4651844), wk = 0.0020080 k( 237) = ( 0.4695364 0.5304636 -0.4695364), wk = 0.0020080 k( 238) = ( 0.4738883 0.5261117 -0.4738883), wk = 0.0020080 k( 239) = ( 0.4782403 0.5217597 -0.4782403), wk = 0.0020080 k( 240) = ( 0.4825922 0.5174078 -0.4825922), wk = 0.0020080 k( 241) = ( 0.4869442 0.5130558 -0.4869442), wk = 0.0020080 k( 242) = ( 0.4912961 0.5087039 -0.4912961), wk = 0.0020080 k( 243) = ( 0.4956481 0.5043519 -0.4956481), wk = 0.0020080 k( 244) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0020080 k( 245) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0020080 k( 246) = ( 0.4857143 0.4857143 -0.4857143), wk = 0.0020080 k( 247) = ( 0.4714286 0.4714286 -0.4714286), wk = 0.0020080 k( 248) = ( 0.4571429 0.4571429 -0.4571429), wk = 0.0020080 k( 249) = ( 0.4428571 0.4428571 -0.4428571), wk = 0.0020080 k( 250) = ( 0.4285714 0.4285714 -0.4285714), wk = 0.0020080 k( 251) = ( 0.4142857 0.4142857 -0.4142857), wk = 0.0020080 k( 252) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0020080 k( 253) = ( 0.3857143 0.3857143 -0.3857143), wk = 0.0020080 k( 254) = ( 0.3714286 0.3714286 -0.3714286), wk = 0.0020080 k( 255) = ( 0.3571429 0.3571429 -0.3571429), wk = 0.0020080 k( 256) = ( 0.3428571 0.3428571 -0.3428571), wk = 0.0020080 k( 257) = ( 0.3285714 0.3285714 -0.3285714), wk = 0.0020080 k( 258) = ( 0.3142857 0.3142857 -0.3142857), wk = 0.0020080 k( 259) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0020080 k( 260) = ( 0.2857143 0.2857143 -0.2857143), wk = 0.0020080 k( 261) = ( 0.2714286 0.2714286 -0.2714286), wk = 0.0020080 k( 262) = ( 0.2571429 0.2571429 -0.2571429), wk = 0.0020080 k( 263) = ( 0.2428571 0.2428571 -0.2428571), wk = 0.0020080 k( 264) = ( 0.2285714 0.2285714 -0.2285714), wk = 0.0020080 k( 265) = ( 0.2142857 0.2142857 -0.2142857), wk = 0.0020080 k( 266) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0020080 k( 267) = ( 0.1857143 0.1857143 -0.1857143), wk = 0.0020080 k( 268) = ( 0.1714286 0.1714286 -0.1714286), wk = 0.0020080 k( 269) = ( 0.1571429 0.1571429 -0.1571429), wk = 0.0020080 k( 270) = ( 0.1428571 0.1428571 -0.1428571), wk = 0.0020080 k( 271) = ( 0.1285714 0.1285714 -0.1285714), wk = 0.0020080 k( 272) = ( 0.1142857 0.1142857 -0.1142857), wk = 0.0020080 k( 273) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0020080 k( 274) = ( 0.0857143 0.0857143 -0.0857143), wk = 0.0020080 k( 275) = ( 0.0714286 0.0714286 -0.0714286), wk = 0.0020080 k( 276) = ( 0.0571429 0.0571429 -0.0571429), wk = 0.0020080 k( 277) = ( 0.0428571 0.0428571 -0.0428571), wk = 0.0020080 k( 278) = ( 0.0285714 0.0285714 -0.0285714), wk = 0.0020080 k( 279) = ( 0.0142857 0.0142857 -0.0142857), wk = 0.0020080 k( 280) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020080 k( 281) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020080 k( 282) = ( 0.0058598 -0.0058598 0.0058598), wk = 0.0020080 k( 283) = ( 0.0117197 -0.0117197 0.0117197), wk = 0.0020080 k( 284) = ( 0.0175795 -0.0175795 0.0175795), wk = 0.0020080 k( 285) = ( 0.0234394 -0.0234394 0.0234394), wk = 0.0020080 k( 286) = ( 0.0292992 -0.0292992 0.0292992), wk = 0.0020080 k( 287) = ( 0.0351591 -0.0351591 0.0351591), wk = 0.0020080 k( 288) = ( 0.0410189 -0.0410189 0.0410189), wk = 0.0020080 k( 289) = ( 0.0468787 -0.0468787 0.0468787), wk = 0.0020080 k( 290) = ( 0.0527386 -0.0527386 0.0527386), wk = 0.0020080 k( 291) = ( 0.0585984 -0.0585984 0.0585984), wk = 0.0020080 k( 292) = ( 0.0644583 -0.0644583 0.0644583), wk = 0.0020080 k( 293) = ( 0.0703181 -0.0703181 0.0703181), wk = 0.0020080 k( 294) = ( 0.0761779 -0.0761779 0.0761779), wk = 0.0020080 k( 295) = ( 0.0820378 -0.0820378 0.0820378), wk = 0.0020080 k( 296) = ( 0.0878976 -0.0878976 0.0878976), wk = 0.0020080 k( 297) = ( 0.0937575 -0.0937575 0.0937575), wk = 0.0020080 k( 298) = ( 0.0996173 -0.0996173 0.0996173), wk = 0.0020080 k( 299) = ( 0.1054772 -0.1054772 0.1054772), wk = 0.0020080 k( 300) = ( 0.1113370 -0.1113370 0.1113370), wk = 0.0020080 k( 301) = ( 0.1171969 -0.1171969 0.1171969), wk = 0.0020080 k( 302) = ( 0.1230567 -0.1230567 0.1230567), wk = 0.0020080 k( 303) = ( 0.1289165 -0.1289165 0.1289165), wk = 0.0020080 k( 304) = ( 0.1347764 -0.1347764 0.1347764), wk = 0.0020080 k( 305) = ( 0.1406362 -0.1406362 0.1406362), wk = 0.0020080 k( 306) = ( 0.1464961 -0.1464961 0.1464961), wk = 0.0020080 k( 307) = ( 0.1523559 -0.1523559 0.1523559), wk = 0.0020080 k( 308) = ( 0.1582157 -0.1582157 0.1582157), wk = 0.0020080 k( 309) = ( 0.1640756 -0.1640756 0.1640756), wk = 0.0020080 k( 310) = ( 0.1699354 -0.1699354 0.1699354), wk = 0.0020080 k( 311) = ( 0.1757953 -0.1757953 0.1757953), wk = 0.0020080 k( 312) = ( 0.1816551 -0.1816551 0.1816551), wk = 0.0020080 k( 313) = ( 0.1875150 -0.1875150 0.1875150), wk = 0.0020080 k( 314) = ( 0.1933748 -0.1933748 0.1933748), wk = 0.0020080 k( 315) = ( 0.1992347 -0.1992346 0.1992346), wk = 0.0020080 k( 316) = ( 0.2050945 -0.2050945 0.2050945), wk = 0.0020080 k( 317) = ( 0.2109543 -0.2109543 0.2109543), wk = 0.0020080 k( 318) = ( 0.2168142 -0.2168142 0.2168142), wk = 0.0020080 k( 319) = ( 0.2226740 -0.2226740 0.2226740), wk = 0.0020080 k( 320) = ( 0.2285339 -0.2285339 0.2285339), wk = 0.0020080 k( 321) = ( 0.2343937 -0.2343937 0.2343937), wk = 0.0020080 k( 322) = ( 0.2402536 -0.2402535 0.2402536), wk = 0.0020080 k( 323) = ( 0.2461134 -0.2461134 0.2461134), wk = 0.0020080 k( 324) = ( 0.2519732 -0.2519732 0.2519732), wk = 0.0020080 k( 325) = ( 0.2578331 -0.2578331 0.2578331), wk = 0.0020080 k( 326) = ( 0.2636929 -0.2636929 0.2636929), wk = 0.0020080 k( 327) = ( 0.2695528 -0.2695528 0.2695528), wk = 0.0020080 k( 328) = ( 0.2754126 -0.2754126 0.2754126), wk = 0.0020080 k( 329) = ( 0.2812725 -0.2812724 0.2812725), wk = 0.0020080 k( 330) = ( 0.2871323 -0.2871323 0.2871323), wk = 0.0020080 k( 331) = ( 0.2929921 -0.2929921 0.2929921), wk = 0.0020080 k( 332) = ( 0.2929921 -0.2929921 0.2929921), wk = 0.0020080 k( 333) = ( 0.3038873 -0.2775715 0.2775715), wk = 0.0020080 k( 334) = ( 0.3147824 -0.2621509 0.2621509), wk = 0.0020080 k( 335) = ( 0.3256776 -0.2467302 0.2467302), wk = 0.0020080 k( 336) = ( 0.3365727 -0.2313096 0.2313096), wk = 0.0020080 k( 337) = ( 0.3474679 -0.2158889 0.2158889), wk = 0.0020080 k( 338) = ( 0.3583630 -0.2004683 0.2004683), wk = 0.0020080 k( 339) = ( 0.3692582 -0.1850477 0.1850477), wk = 0.0020080 k( 340) = ( 0.3801533 -0.1696270 0.1696270), wk = 0.0020080 k( 341) = ( 0.3910485 -0.1542064 0.1542064), wk = 0.0020080 k( 342) = ( 0.4019436 -0.1387857 0.1387858), wk = 0.0020080 k( 343) = ( 0.4128388 -0.1233651 0.1233651), wk = 0.0020080 k( 344) = ( 0.4237339 -0.1079445 0.1079445), wk = 0.0020080 k( 345) = ( 0.4346291 -0.0925238 0.0925238), wk = 0.0020080 k( 346) = ( 0.4455243 -0.0771032 0.0771032), wk = 0.0020080 k( 347) = ( 0.4564194 -0.0616825 0.0616825), wk = 0.0020080 k( 348) = ( 0.4673145 -0.0462619 0.0462619), wk = 0.0020080 k( 349) = ( 0.4782097 -0.0308413 0.0308413), wk = 0.0020080 k( 350) = ( 0.4891048 -0.0154206 0.0154206), wk = 0.0020080 k( 351) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0020080 k( 352) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0020080 k( 353) = ( 0.4956140 0.0043860 0.0043860), wk = 0.0020080 k( 354) = ( 0.4912281 0.0087719 0.0087719), wk = 0.0020080 k( 355) = ( 0.4868421 0.0131579 0.0131579), wk = 0.0020080 k( 356) = ( 0.4824561 0.0175439 0.0175439), wk = 0.0020080 k( 357) = ( 0.4780702 0.0219298 0.0219298), wk = 0.0020080 k( 358) = ( 0.4736842 0.0263158 0.0263158), wk = 0.0020080 k( 359) = ( 0.4692982 0.0307018 0.0307017), wk = 0.0020080 k( 360) = ( 0.4649123 0.0350877 0.0350877), wk = 0.0020080 k( 361) = ( 0.4605263 0.0394737 0.0394737), wk = 0.0020080 k( 362) = ( 0.4561404 0.0438597 0.0438596), wk = 0.0020080 k( 363) = ( 0.4517544 0.0482456 0.0482456), wk = 0.0020080 k( 364) = ( 0.4473684 0.0526316 0.0526316), wk = 0.0020080 k( 365) = ( 0.4429825 0.0570175 0.0570175), wk = 0.0020080 k( 366) = ( 0.4385965 0.0614035 0.0614035), wk = 0.0020080 k( 367) = ( 0.4342105 0.0657895 0.0657895), wk = 0.0020080 k( 368) = ( 0.4298246 0.0701754 0.0701754), wk = 0.0020080 k( 369) = ( 0.4254386 0.0745614 0.0745614), wk = 0.0020080 k( 370) = ( 0.4210526 0.0789474 0.0789474), wk = 0.0020080 k( 371) = ( 0.4166667 0.0833333 0.0833333), wk = 0.0020080 k( 372) = ( 0.4122807 0.0877193 0.0877193), wk = 0.0020080 k( 373) = ( 0.4078947 0.0921053 0.0921053), wk = 0.0020080 k( 374) = ( 0.4035088 0.0964912 0.0964912), wk = 0.0020080 k( 375) = ( 0.3991228 0.1008772 0.1008772), wk = 0.0020080 k( 376) = ( 0.3947368 0.1052632 0.1052632), wk = 0.0020080 k( 377) = ( 0.3903509 0.1096491 0.1096491), wk = 0.0020080 k( 378) = ( 0.3859649 0.1140351 0.1140351), wk = 0.0020080 k( 379) = ( 0.3815789 0.1184211 0.1184211), wk = 0.0020080 k( 380) = ( 0.3771930 0.1228070 0.1228070), wk = 0.0020080 k( 381) = ( 0.3728070 0.1271930 0.1271930), wk = 0.0020080 k( 382) = ( 0.3684211 0.1315790 0.1315790), wk = 0.0020080 k( 383) = ( 0.3640351 0.1359649 0.1359649), wk = 0.0020080 k( 384) = ( 0.3596491 0.1403509 0.1403509), wk = 0.0020080 k( 385) = ( 0.3552632 0.1447368 0.1447368), wk = 0.0020080 k( 386) = ( 0.3508772 0.1491228 0.1491228), wk = 0.0020080 k( 387) = ( 0.3464912 0.1535088 0.1535088), wk = 0.0020080 k( 388) = ( 0.3421053 0.1578947 0.1578947), wk = 0.0020080 k( 389) = ( 0.3377193 0.1622807 0.1622807), wk = 0.0020080 k( 390) = ( 0.3333333 0.1666667 0.1666667), wk = 0.0020080 k( 391) = ( 0.3289474 0.1710526 0.1710526), wk = 0.0020080 k( 392) = ( 0.3245614 0.1754386 0.1754386), wk = 0.0020080 k( 393) = ( 0.3201754 0.1798246 0.1798246), wk = 0.0020080 k( 394) = ( 0.3157895 0.1842105 0.1842105), wk = 0.0020080 k( 395) = ( 0.3114035 0.1885965 0.1885965), wk = 0.0020080 k( 396) = ( 0.3070175 0.1929825 0.1929825), wk = 0.0020080 k( 397) = ( 0.3026316 0.1973684 0.1973684), wk = 0.0020080 k( 398) = ( 0.2982456 0.2017544 0.2017544), wk = 0.0020080 k( 399) = ( 0.2938596 0.2061403 0.2061403), wk = 0.0020080 k( 400) = ( 0.2894737 0.2105263 0.2105263), wk = 0.0020080 k( 401) = ( 0.2850877 0.2149123 0.2149123), wk = 0.0020080 k( 402) = ( 0.2807018 0.2192982 0.2192983), wk = 0.0020080 k( 403) = ( 0.2763158 0.2236842 0.2236842), wk = 0.0020080 k( 404) = ( 0.2719298 0.2280702 0.2280702), wk = 0.0020080 k( 405) = ( 0.2675439 0.2324561 0.2324561), wk = 0.0020080 k( 406) = ( 0.2631579 0.2368421 0.2368421), wk = 0.0020080 k( 407) = ( 0.2587719 0.2412281 0.2412281), wk = 0.0020080 k( 408) = ( 0.2543860 0.2456140 0.2456140), wk = 0.0020080 k( 409) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0020080 k( 410) = ( 0.0666909 -0.0666909 0.5192933), wk = 0.0020080 k( 411) = ( 0.0710429 -0.0710429 0.5149414), wk = 0.0020080 k( 412) = ( 0.0753948 -0.0753948 0.5105894), wk = 0.0020080 k( 413) = ( 0.0797468 -0.0797468 0.5062375), wk = 0.0020080 k( 414) = ( 0.0840987 -0.0840987 0.5018856), wk = 0.0020080 k( 415) = ( 0.0884507 -0.0884507 0.4975336), wk = 0.0020080 k( 416) = ( 0.0928026 -0.0928026 0.4931817), wk = 0.0020080 k( 417) = ( 0.0971546 -0.0971546 0.4888297), wk = 0.0020080 k( 418) = ( 0.1015065 -0.1015065 0.4844778), wk = 0.0020080 k( 419) = ( 0.1058585 -0.1058584 0.4801258), wk = 0.0020080 k( 420) = ( 0.1102104 -0.1102104 0.4757739), wk = 0.0020080 k( 421) = ( 0.1145623 -0.1145623 0.4714219), wk = 0.0020080 k( 422) = ( 0.1189143 -0.1189143 0.4670700), wk = 0.0020080 k( 423) = ( 0.1232662 -0.1232662 0.4627180), wk = 0.0020080 k( 424) = ( 0.1276182 -0.1276182 0.4583661), wk = 0.0020080 k( 425) = ( 0.1319701 -0.1319701 0.4540141), wk = 0.0020080 k( 426) = ( 0.1363221 -0.1363221 0.4496622), wk = 0.0020080 k( 427) = ( 0.1406740 -0.1406740 0.4453103), wk = 0.0020080 k( 428) = ( 0.1450260 -0.1450260 0.4409583), wk = 0.0020080 k( 429) = ( 0.1493779 -0.1493779 0.4366063), wk = 0.0020080 k( 430) = ( 0.1537299 -0.1537299 0.4322544), wk = 0.0020080 k( 431) = ( 0.1580818 -0.1580818 0.4279025), wk = 0.0020080 k( 432) = ( 0.1624337 -0.1624337 0.4235505), wk = 0.0020080 k( 433) = ( 0.1667857 -0.1667857 0.4191986), wk = 0.0020080 k( 434) = ( 0.1711376 -0.1711376 0.4148466), wk = 0.0020080 k( 435) = ( 0.1754896 -0.1754896 0.4104947), wk = 0.0020080 k( 436) = ( 0.1798415 -0.1798415 0.4061427), wk = 0.0020080 k( 437) = ( 0.1841935 -0.1841935 0.4017908), wk = 0.0020080 k( 438) = ( 0.1885454 -0.1885454 0.3974388), wk = 0.0020080 k( 439) = ( 0.1928974 -0.1928974 0.3930869), wk = 0.0020080 k( 440) = ( 0.1972493 -0.1972493 0.3887350), wk = 0.0020080 k( 441) = ( 0.2016013 -0.2016013 0.3843830), wk = 0.0020080 k( 442) = ( 0.2059532 -0.2059532 0.3800311), wk = 0.0020080 k( 443) = ( 0.2103052 -0.2103052 0.3756791), wk = 0.0020080 k( 444) = ( 0.2146571 -0.2146571 0.3713272), wk = 0.0020080 k( 445) = ( 0.2190091 -0.2190091 0.3669752), wk = 0.0020080 k( 446) = ( 0.2233610 -0.2233610 0.3626233), wk = 0.0020080 k( 447) = ( 0.2277129 -0.2277129 0.3582713), wk = 0.0020080 k( 448) = ( 0.2320649 -0.2320649 0.3539194), wk = 0.0020080 k( 449) = ( 0.2364168 -0.2364168 0.3495674), wk = 0.0020080 k( 450) = ( 0.2407688 -0.2407688 0.3452155), wk = 0.0020080 k( 451) = ( 0.2451207 -0.2451207 0.3408635), wk = 0.0020080 k( 452) = ( 0.2494727 -0.2494727 0.3365116), wk = 0.0020080 k( 453) = ( 0.2538246 -0.2538246 0.3321596), wk = 0.0020080 k( 454) = ( 0.2581766 -0.2581766 0.3278077), wk = 0.0020080 k( 455) = ( 0.2625285 -0.2625285 0.3234558), wk = 0.0020080 k( 456) = ( 0.2668805 -0.2668805 0.3191038), wk = 0.0020080 k( 457) = ( 0.2712324 -0.2712324 0.3147519), wk = 0.0020080 k( 458) = ( 0.2755843 -0.2755843 0.3103999), wk = 0.0020080 k( 459) = ( 0.2799363 -0.2799363 0.3060480), wk = 0.0020080 k( 460) = ( 0.2842882 -0.2842882 0.3016960), wk = 0.0020080 k( 461) = ( 0.2886402 -0.2886402 0.2973441), wk = 0.0020080 k( 462) = ( 0.2929921 -0.2929921 0.2929921), wk = 0.0020080 k( 463) = ( 0.7070079 0.2929921 -0.2929921), wk = 0.0020080 k( 464) = ( 0.7010934 0.2989066 -0.2989066), wk = 0.0020080 k( 465) = ( 0.6951788 0.3048212 -0.3048212), wk = 0.0020080 k( 466) = ( 0.6892643 0.3107357 -0.3107357), wk = 0.0020080 k( 467) = ( 0.6833498 0.3166502 -0.3166502), wk = 0.0020080 k( 468) = ( 0.6774353 0.3225647 -0.3225647), wk = 0.0020080 k( 469) = ( 0.6715208 0.3284792 -0.3284792), wk = 0.0020080 k( 470) = ( 0.6656063 0.3343937 -0.3343937), wk = 0.0020080 k( 471) = ( 0.6596918 0.3403082 -0.3403082), wk = 0.0020080 k( 472) = ( 0.6537773 0.3462227 -0.3462227), wk = 0.0020080 k( 473) = ( 0.6478628 0.3521372 -0.3521372), wk = 0.0020080 k( 474) = ( 0.6419482 0.3580518 -0.3580517), wk = 0.0020080 k( 475) = ( 0.6360337 0.3639663 -0.3639663), wk = 0.0020080 k( 476) = ( 0.6301192 0.3698808 -0.3698808), wk = 0.0020080 k( 477) = ( 0.6242047 0.3757953 -0.3757953), wk = 0.0020080 k( 478) = ( 0.6182902 0.3817098 -0.3817098), wk = 0.0020080 k( 479) = ( 0.6123757 0.3876243 -0.3876243), wk = 0.0020080 k( 480) = ( 0.6064612 0.3935388 -0.3935388), wk = 0.0020080 k( 481) = ( 0.6005467 0.3994533 -0.3994533), wk = 0.0020080 k( 482) = ( 0.5946322 0.4053678 -0.4053678), wk = 0.0020080 k( 483) = ( 0.5887177 0.4112823 -0.4112823), wk = 0.0020080 k( 484) = ( 0.5828032 0.4171969 -0.4171969), wk = 0.0020080 k( 485) = ( 0.5768886 0.4231114 -0.4231114), wk = 0.0020080 k( 486) = ( 0.5709741 0.4290259 -0.4290259), wk = 0.0020080 k( 487) = ( 0.5650596 0.4349404 -0.4349404), wk = 0.0020080 k( 488) = ( 0.5591451 0.4408549 -0.4408549), wk = 0.0020080 k( 489) = ( 0.5532306 0.4467694 -0.4467694), wk = 0.0020080 k( 490) = ( 0.5473161 0.4526839 -0.4526839), wk = 0.0020080 k( 491) = ( 0.5414016 0.4585984 -0.4585984), wk = 0.0020080 k( 492) = ( 0.5354871 0.4645129 -0.4645129), wk = 0.0020080 k( 493) = ( 0.5295726 0.4704275 -0.4704275), wk = 0.0020080 k( 494) = ( 0.5236580 0.4763420 -0.4763420), wk = 0.0020080 k( 495) = ( 0.5177435 0.4822565 -0.4822565), wk = 0.0020080 k( 496) = ( 0.5118290 0.4881710 -0.4881710), wk = 0.0020080 k( 497) = ( 0.5059145 0.4940855 -0.4940855), wk = 0.0020080 k( 498) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0020080 Dense grid: 44673 G-vectors FFT dimensions: ( 64, 64, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.18 Mb ( 322, 36) NL pseudopotentials 0.22 Mb ( 161, 90) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 1241) G-vector shells 0.01 Mb ( 1111) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.71 Mb ( 322, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.10 Mb ( 90, 2, 36) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Li2NiO2.save/charge-density.dat Starting wfc are 54 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.3 secs Computing kpt #: 2 total cpu time spent up to now is 3.8 secs Computing kpt #: 3 total cpu time spent up to now is 4.2 secs Computing kpt #: 4 total cpu time spent up to now is 4.7 secs Computing kpt #: 5 total cpu time spent up to now is 5.1 secs Computing kpt #: 6 total cpu time spent up to now is 5.6 secs Computing kpt #: 7 total cpu time spent up to now is 6.0 secs Computing kpt #: 8 total cpu time spent up to now is 6.5 secs Computing kpt #: 9 total cpu time spent up to now is 7.0 secs Computing kpt #: 10 total cpu time spent up to now is 7.4 secs Computing kpt #: 11 total cpu time spent up to now is 7.9 secs Computing kpt #: 12 total cpu time spent up to now is 8.4 secs Computing kpt #: 13 total cpu time spent up to now is 8.8 secs Computing kpt #: 14 total cpu time spent up to now is 9.3 secs Computing kpt #: 15 total cpu time spent up to now is 9.8 secs Computing kpt #: 16 total cpu time spent up to now is 10.2 secs Computing kpt #: 17 total cpu time spent up to now is 10.7 secs Computing kpt #: 18 total cpu time spent up to now is 11.2 secs Computing kpt #: 19 total cpu time spent up to now is 11.6 secs Computing kpt #: 20 total cpu time spent up to now is 12.1 secs Computing kpt #: 21 total cpu time spent up to now is 12.6 secs Computing kpt #: 22 total cpu time spent up to now is 13.0 secs Computing kpt #: 23 total cpu time spent up to now is 13.5 secs Computing kpt #: 24 total cpu time spent up to now is 14.0 secs Computing kpt #: 25 total cpu time spent up to now is 14.5 secs Computing kpt #: 26 total cpu time spent up to now is 14.9 secs Computing kpt #: 27 total cpu time spent up to now is 15.4 secs Computing kpt #: 28 total cpu time spent up to now is 15.9 secs Computing kpt #: 29 total cpu time spent up to now is 16.4 secs Computing kpt #: 30 total cpu time spent up to now is 16.8 secs Computing kpt #: 31 total cpu time spent up to now is 17.4 secs Computing kpt #: 32 total cpu time spent up to now is 18.0 secs Computing kpt #: 33 total cpu time spent up to now is 18.6 secs Computing kpt #: 34 total cpu time spent up to now is 19.3 secs Computing kpt #: 35 total cpu time spent up to now is 19.9 secs Computing kpt #: 36 total cpu time spent up to now is 20.5 secs Computing kpt #: 37 total cpu time spent up to now is 21.1 secs Computing kpt #: 38 total cpu time spent up to now is 21.7 secs Computing kpt #: 39 total cpu time spent up to now is 22.2 secs Computing kpt #: 40 total cpu time spent up to now is 22.7 secs Computing kpt #: 41 total cpu time spent up to now is 23.1 secs Computing kpt #: 42 total cpu time spent up to now is 23.6 secs Computing kpt #: 43 total cpu time spent up to now is 24.1 secs Computing kpt #: 44 total cpu time spent up to now is 24.6 secs Computing kpt #: 45 total cpu time spent up to now is 25.0 secs Computing kpt #: 46 total cpu time spent up to now is 25.5 secs Computing kpt #: 47 total cpu time spent up to now is 26.0 secs Computing kpt #: 48 total cpu time spent up to now is 26.4 secs Computing kpt #: 49 total cpu time spent up to now is 26.9 secs Computing kpt #: 50 total cpu time spent up to now is 27.4 secs Computing kpt #: 51 total cpu time spent up to now is 27.8 secs Computing kpt #: 52 total cpu time spent up to now is 28.3 secs Computing kpt #: 53 total cpu time spent up to now is 28.8 secs Computing kpt #: 54 total cpu time spent up to now is 29.3 secs Computing kpt #: 55 total cpu time spent up to now is 29.7 secs Computing kpt #: 56 total cpu time spent up to now is 30.2 secs Computing kpt #: 57 total cpu time spent up to now is 30.6 secs Computing kpt #: 58 total cpu time spent up to now is 31.1 secs Computing kpt #: 59 total cpu time spent up to now is 31.6 secs Computing kpt #: 60 total cpu time spent up to now is 32.0 secs Computing kpt #: 61 total cpu time spent up to now is 32.5 secs Computing kpt #: 62 total cpu time spent up to now is 32.9 secs Computing kpt #: 63 total cpu time spent up to now is 33.4 secs Computing kpt #: 64 total cpu time spent up to now is 33.8 secs Computing kpt #: 65 total cpu time spent up to now is 34.3 secs Computing kpt #: 66 total cpu time spent up to now is 34.7 secs Computing kpt #: 67 total cpu time spent up to now is 35.2 secs Computing kpt #: 68 total cpu time spent up to now is 35.6 secs Computing kpt #: 69 total cpu time spent up to now is 36.1 secs Computing kpt #: 70 total cpu time spent up to now is 36.5 secs Computing kpt #: 71 total cpu time spent up to now is 37.0 secs Computing kpt #: 72 total cpu time spent up to now is 37.5 secs Computing kpt #: 73 total cpu time spent up to now is 38.0 secs Computing kpt #: 74 total cpu time spent up to now is 38.4 secs Computing kpt #: 75 total cpu time spent up to now is 38.9 secs Computing kpt #: 76 total cpu time spent up to now is 39.3 secs Computing kpt #: 77 total cpu time spent up to now is 39.8 secs Computing kpt #: 78 total cpu time spent up to now is 40.3 secs Computing kpt #: 79 total cpu time spent up to now is 40.7 secs Computing kpt #: 80 total cpu time spent up to now is 41.2 secs Computing kpt #: 81 total cpu time spent up to now is 41.6 secs Computing kpt #: 82 total cpu time spent up to now is 42.1 secs Computing kpt #: 83 total cpu time spent up to now is 42.6 secs Computing kpt #: 84 total cpu time spent up to now is 43.0 secs Computing kpt #: 85 total cpu time spent up to now is 43.5 secs Computing kpt #: 86 total cpu time spent up to now is 44.0 secs Computing kpt #: 87 total cpu time spent up to now is 44.4 secs Computing kpt #: 88 total cpu time spent up to now is 44.9 secs Computing kpt #: 89 total cpu time spent up to now is 45.4 secs Computing kpt #: 90 total cpu time spent up to now is 45.8 secs Computing kpt #: 91 total cpu time spent up to now is 46.3 secs Computing kpt #: 92 total cpu time spent up to now is 46.8 secs Computing kpt #: 93 total cpu time spent up to now is 47.3 secs Computing kpt #: 94 total cpu time spent up to now is 47.7 secs Computing kpt #: 95 total cpu time spent up to now is 48.2 secs Computing kpt #: 96 total cpu time spent up to now is 48.7 secs Computing kpt #: 97 total cpu time spent up to now is 49.2 secs Computing kpt #: 98 total cpu time spent up to now is 49.6 secs Computing kpt #: 99 total cpu time spent up to now is 50.1 secs Computing kpt #: 100 total cpu time spent up to now is 50.6 secs Computing kpt #: 101 total cpu time spent up to now is 51.1 secs Computing kpt #: 102 total cpu time spent up to now is 51.5 secs Computing kpt #: 103 total cpu time spent up to now is 52.1 secs Computing kpt #: 104 total cpu time spent up to now is 52.7 secs Computing kpt #: 105 total cpu time spent up to now is 53.2 secs Computing kpt #: 106 total cpu time spent up to now is 53.8 secs Computing kpt #: 107 total cpu time spent up to now is 54.4 secs Computing kpt #: 108 total cpu time spent up to now is 54.9 secs Computing kpt #: 109 total cpu time spent up to now is 55.5 secs Computing kpt #: 110 total cpu time spent up to now is 56.1 secs Computing kpt #: 111 total cpu time spent up to now is 56.6 secs Computing kpt #: 112 total cpu time spent up to now is 57.2 secs Computing kpt #: 113 total cpu time spent up to now is 57.7 secs Computing kpt #: 114 total cpu time spent up to now is 58.3 secs Computing kpt #: 115 total cpu time spent up to now is 58.9 secs Computing kpt #: 116 total cpu time spent up to now is 59.4 secs Computing kpt #: 117 total cpu time spent up to now is 59.9 secs Computing kpt #: 118 total cpu time spent up to now is 60.5 secs Computing kpt #: 119 total cpu time spent up to now is 61.0 secs Computing kpt #: 120 total cpu time spent up to now is 61.6 secs Computing kpt #: 121 total cpu time spent up to now is 62.1 secs Computing kpt #: 122 total cpu time spent up to now is 62.7 secs Computing kpt #: 123 total cpu time spent up to now is 63.2 secs Computing kpt #: 124 total cpu time spent up to now is 63.8 secs Computing kpt #: 125 total cpu time spent up to now is 64.3 secs Computing kpt #: 126 total cpu time spent up to now is 64.9 secs Computing kpt #: 127 total cpu time spent up to now is 65.5 secs Computing kpt #: 128 total cpu time spent up to now is 66.0 secs Computing kpt #: 129 total cpu time spent up to now is 66.6 secs Computing kpt #: 130 total cpu time spent up to now is 67.1 secs Computing kpt #: 131 total cpu time spent up to now is 67.7 secs Computing kpt #: 132 total cpu time spent up to now is 68.3 secs Computing kpt #: 133 total cpu time spent up to now is 68.8 secs Computing kpt #: 134 total cpu time spent up to now is 69.4 secs Computing kpt #: 135 total cpu time spent up to now is 70.0 secs Computing kpt #: 136 total cpu time spent up to now is 70.5 secs Computing kpt #: 137 total cpu time spent up to now is 71.1 secs Computing kpt #: 138 total cpu time spent up to now is 71.7 secs Computing kpt #: 139 total cpu time spent up to now is 72.2 secs Computing kpt #: 140 total cpu time spent up to now is 72.8 secs Computing kpt #: 141 total cpu time spent up to now is 73.4 secs Computing kpt #: 142 total cpu time spent up to now is 74.0 secs Computing kpt #: 143 total cpu time spent up to now is 74.5 secs Computing kpt #: 144 total cpu time spent up to now is 75.0 secs Computing kpt #: 145 total cpu time spent up to now is 75.5 secs Computing kpt #: 146 total cpu time spent up to now is 76.0 secs Computing kpt #: 147 total cpu time spent up to now is 76.5 secs Computing kpt #: 148 total cpu time spent up to now is 77.0 secs Computing kpt #: 149 total cpu time spent up to now is 77.5 secs Computing kpt #: 150 total cpu time spent up to now is 78.0 secs Computing kpt #: 151 total cpu time spent up to now is 78.5 secs Computing kpt #: 152 total cpu time spent up to now is 79.0 secs Computing kpt #: 153 total cpu time spent up to now is 79.5 secs Computing kpt #: 154 total cpu time spent up to now is 80.1 secs Computing kpt #: 155 total cpu time spent up to now is 80.6 secs Computing kpt #: 156 total cpu time spent up to now is 81.1 secs Computing kpt #: 157 total cpu time spent up to now is 81.6 secs Computing kpt #: 158 total cpu time spent up to now is 82.1 secs Computing kpt #: 159 total cpu time spent up to now is 82.7 secs Computing kpt #: 160 total cpu time spent up to now is 83.2 secs Computing kpt #: 161 total cpu time spent up to now is 83.7 secs Computing kpt #: 162 total cpu time spent up to now is 84.2 secs Computing kpt #: 163 total cpu time spent up to now is 84.7 secs Computing kpt #: 164 total cpu time spent up to now is 85.2 secs Computing kpt #: 165 total cpu time spent up to now is 85.7 secs Computing kpt #: 166 total cpu time spent up to now is 86.2 secs Computing kpt #: 167 total cpu time spent up to now is 86.7 secs Computing kpt #: 168 total cpu time spent up to now is 87.1 secs Computing kpt #: 169 total cpu time spent up to now is 87.6 secs Computing kpt #: 170 total cpu time spent up to now is 88.1 secs Computing kpt #: 171 total cpu time spent up to now is 88.5 secs Computing kpt #: 172 total cpu time spent up to now is 89.0 secs Computing kpt #: 173 total cpu time spent up to now is 89.4 secs Computing kpt #: 174 total cpu time spent up to now is 89.9 secs Computing kpt #: 175 total cpu time spent up to now is 90.4 secs Computing kpt #: 176 total cpu time spent up to now is 90.8 secs Computing kpt #: 177 total cpu time spent up to now is 91.3 secs Computing kpt #: 178 total cpu time spent up to now is 91.8 secs Computing kpt #: 179 total cpu time spent up to now is 92.3 secs Computing kpt #: 180 total cpu time spent up to now is 92.7 secs Computing kpt #: 181 total cpu time spent up to now is 93.2 secs Computing kpt #: 182 total cpu time spent up to now is 93.7 secs Computing kpt #: 183 total cpu time spent up to now is 94.2 secs Computing kpt #: 184 total cpu time spent up to now is 94.7 secs Computing kpt #: 185 total cpu time spent up to now is 95.1 secs Computing kpt #: 186 total cpu time spent up to now is 95.6 secs Computing kpt #: 187 total cpu time spent up to now is 96.1 secs Computing kpt #: 188 total cpu time spent up to now is 96.5 secs Computing kpt #: 189 total cpu time spent up to now is 97.0 secs Computing kpt #: 190 total cpu time spent up to now is 97.5 secs Computing kpt #: 191 total cpu time spent up to now is 97.9 secs Computing kpt #: 192 total cpu time spent up to now is 98.4 secs Computing kpt #: 193 total cpu time spent up to now is 98.8 secs Computing kpt #: 194 total cpu time spent up to now is 99.3 secs Computing kpt #: 195 total cpu time spent up to now is 99.7 secs Computing kpt #: 196 total cpu time spent up to now is 100.1 secs Computing kpt #: 197 total cpu time spent up to now is 100.6 secs Computing kpt #: 198 total cpu time spent up to now is 101.0 secs Computing kpt #: 199 total cpu time spent up to now is 101.5 secs Computing kpt #: 200 total cpu time spent up to now is 102.0 secs Computing kpt #: 201 total cpu time spent up to now is 102.4 secs Computing kpt #: 202 total cpu time spent up to now is 102.9 secs Computing kpt #: 203 total cpu time spent up to now is 103.3 secs Computing kpt #: 204 total cpu time spent up to now is 103.8 secs Computing kpt #: 205 total cpu time spent up to now is 104.3 secs Computing kpt #: 206 total cpu time spent up to now is 104.8 secs Computing kpt #: 207 total cpu time spent up to now is 105.3 secs Computing kpt #: 208 total cpu time spent up to now is 105.8 secs Computing kpt #: 209 total cpu time spent up to now is 106.3 secs Computing kpt #: 210 total cpu time spent up to now is 106.9 secs Computing kpt #: 211 total cpu time spent up to now is 107.5 secs Computing kpt #: 212 total cpu time spent up to now is 108.1 secs Computing kpt #: 213 total cpu time spent up to now is 108.6 secs Computing kpt #: 214 total cpu time spent up to now is 109.3 secs Computing kpt #: 215 total cpu time spent up to now is 109.9 secs Computing kpt #: 216 total cpu time spent up to now is 110.5 secs Computing kpt #: 217 total cpu time spent up to now is 111.1 secs Computing kpt #: 218 total cpu time spent up to now is 111.7 secs Computing kpt #: 219 total cpu time spent up to now is 112.3 secs Computing kpt #: 220 total cpu time spent up to now is 113.1 secs Computing kpt #: 221 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 114.5 secs Computing kpt #: 222 total cpu time spent up to now is 115.1 secs Computing kpt #: 223 total cpu time spent up to now is 115.7 secs Computing kpt #: 224 total cpu time spent up to now is 116.2 secs Computing kpt #: 225 total cpu time spent up to now is 116.8 secs Computing kpt #: 226 total cpu time spent up to now is 117.4 secs Computing kpt #: 227 total cpu time spent up to now is 117.9 secs Computing kpt #: 228 total cpu time spent up to now is 118.5 secs Computing kpt #: 229 total cpu time spent up to now is 119.0 secs Computing kpt #: 230 total cpu time spent up to now is 119.6 secs Computing kpt #: 231 total cpu time spent up to now is 120.1 secs Computing kpt #: 232 total cpu time spent up to now is 120.7 secs Computing kpt #: 233 total cpu time spent up to now is 121.2 secs Computing kpt #: 234 total cpu time spent up to now is 121.8 secs Computing kpt #: 235 total cpu time spent up to now is 122.3 secs Computing kpt #: 236 total cpu time spent up to now is 122.9 secs Computing kpt #: 237 total cpu time spent up to now is 123.4 secs Computing kpt #: 238 total cpu time spent up to now is 124.0 secs Computing kpt #: 239 total cpu time spent up to now is 124.5 secs Computing kpt #: 240 total cpu time spent up to now is 125.1 secs Computing kpt #: 241 total cpu time spent up to now is 125.6 secs Computing kpt #: 242 total cpu time spent up to now is 126.2 secs Computing kpt #: 243 total cpu time spent up to now is 126.7 secs Computing kpt #: 244 total cpu time spent up to now is 127.2 secs Computing kpt #: 245 total cpu time spent up to now is 127.8 secs Computing kpt #: 246 total cpu time spent up to now is 128.4 secs Computing kpt #: 247 total cpu time spent up to now is 129.2 secs Computing kpt #: 248 total cpu time spent up to now is 129.8 secs Computing kpt #: 249 total cpu time spent up to now is 130.4 secs Computing kpt #: 250 total cpu time spent up to now is 130.9 secs Computing kpt #: 251 total cpu time spent up to now is 131.5 secs Computing kpt #: 252 total cpu time spent up to now is 132.0 secs Computing kpt #: 253 total cpu time spent up to now is 132.6 secs Computing kpt #: 254 total cpu time spent up to now is 133.1 secs Computing kpt #: 255 total cpu time spent up to now is 133.6 secs Computing kpt #: 256 total cpu time spent up to now is 134.0 secs Computing kpt #: 257 total cpu time spent up to now is 134.6 secs Computing kpt #: 258 total cpu time spent up to now is 135.1 secs Computing kpt #: 259 total cpu time spent up to now is 135.6 secs Computing kpt #: 260 total cpu time spent up to now is 136.2 secs Computing kpt #: 261 total cpu time spent up to now is 136.6 secs Computing kpt #: 262 total cpu time spent up to now is 137.1 secs Computing kpt #: 263 total cpu time spent up to now is 137.6 secs Computing kpt #: 264 total cpu time spent up to now is 138.0 secs Computing kpt #: 265 total cpu time spent up to now is 138.5 secs Computing kpt #: 266 total cpu time spent up to now is 139.0 secs Computing kpt #: 267 total cpu time spent up to now is 139.4 secs Computing kpt #: 268 total cpu time spent up to now is 139.9 secs Computing kpt #: 269 total cpu time spent up to now is 140.4 secs Computing kpt #: 270 total cpu time spent up to now is 140.9 secs Computing kpt #: 271 total cpu time spent up to now is 141.3 secs Computing kpt #: 272 total cpu time spent up to now is 141.8 secs Computing kpt #: 273 total cpu time spent up to now is 142.3 secs Computing kpt #: 274 total cpu time spent up to now is 142.7 secs Computing kpt #: 275 total cpu time spent up to now is 143.2 secs Computing kpt #: 276 total cpu time spent up to now is 143.7 secs Computing kpt #: 277 total cpu time spent up to now is 144.2 secs Computing kpt #: 278 total cpu time spent up to now is 144.6 secs Computing kpt #: 279 total cpu time spent up to now is 145.1 secs Computing kpt #: 280 total cpu time spent up to now is 145.5 secs Computing kpt #: 281 total cpu time spent up to now is 146.0 secs Computing kpt #: 282 total cpu time spent up to now is 146.5 secs Computing kpt #: 283 total cpu time spent up to now is 147.1 secs Computing kpt #: 284 total cpu time spent up to now is 147.6 secs Computing kpt #: 285 total cpu time spent up to now is 148.1 secs Computing kpt #: 286 total cpu time spent up to now is 148.6 secs Computing kpt #: 287 total cpu time spent up to now is 149.0 secs Computing kpt #: 288 total cpu time spent up to now is 149.5 secs Computing kpt #: 289 total cpu time spent up to now is 149.9 secs Computing kpt #: 290 total cpu time spent up to now is 150.4 secs Computing kpt #: 291 total cpu time spent up to now is 150.8 secs Computing kpt #: 292 total cpu time spent up to now is 151.3 secs Computing kpt #: 293 total cpu time spent up to now is 151.7 secs Computing kpt #: 294 total cpu time spent up to now is 152.2 secs Computing kpt #: 295 total cpu time spent up to now is 152.6 secs Computing kpt #: 296 total cpu time spent up to now is 153.0 secs Computing kpt #: 297 total cpu time spent up to now is 153.5 secs Computing kpt #: 298 total cpu time spent up to now is 153.9 secs Computing kpt #: 299 total cpu time spent up to now is 154.3 secs Computing kpt #: 300 total cpu time spent up to now is 154.8 secs Computing kpt #: 301 total cpu time spent up to now is 155.2 secs Computing kpt #: 302 total cpu time spent up to now is 155.7 secs Computing kpt #: 303 total cpu time spent up to now is 156.1 secs Computing kpt #: 304 total cpu time spent up to now is 156.5 secs Computing kpt #: 305 total cpu time spent up to now is 157.0 secs Computing kpt #: 306 total cpu time spent up to now is 157.4 secs Computing kpt #: 307 total cpu time spent up to now is 157.9 secs Computing kpt #: 308 total cpu time spent up to now is 158.3 secs Computing kpt #: 309 total cpu time spent up to now is 158.8 secs Computing kpt #: 310 total cpu time spent up to now is 159.2 secs Computing kpt #: 311 total cpu time spent up to now is 159.7 secs Computing kpt #: 312 total cpu time spent up to now is 160.1 secs Computing kpt #: 313 total cpu time spent up to now is 160.6 secs Computing kpt #: 314 total cpu time spent up to now is 161.1 secs Computing kpt #: 315 total cpu time spent up to now is 161.5 secs Computing kpt #: 316 total cpu time spent up to now is 162.0 secs Computing kpt #: 317 total cpu time spent up to now is 162.5 secs Computing kpt #: 318 total cpu time spent up to now is 163.0 secs Computing kpt #: 319 total cpu time spent up to now is 163.5 secs Computing kpt #: 320 total cpu time spent up to now is 163.9 secs Computing kpt #: 321 total cpu time spent up to now is 164.4 secs Computing kpt #: 322 total cpu time spent up to now is 164.9 secs Computing kpt #: 323 total cpu time spent up to now is 165.4 secs Computing kpt #: 324 total cpu time spent up to now is 165.9 secs Computing kpt #: 325 total cpu time spent up to now is 166.4 secs Computing kpt #: 326 total cpu time spent up to now is 166.8 secs Computing kpt #: 327 total cpu time spent up to now is 167.3 secs Computing kpt #: 328 total cpu time spent up to now is 167.8 secs Computing kpt #: 329 total cpu time spent up to now is 168.2 secs Computing kpt #: 330 total cpu time spent up to now is 168.7 secs Computing kpt #: 331 total cpu time spent up to now is 169.1 secs Computing kpt #: 332 total cpu time spent up to now is 169.6 secs Computing kpt #: 333 total cpu time spent up to now is 170.0 secs Computing kpt #: 334 total cpu time spent up to now is 170.5 secs Computing kpt #: 335 total cpu time spent up to now is 170.9 secs Computing kpt #: 336 total cpu time spent up to now is 171.4 secs Computing kpt #: 337 total cpu time spent up to now is 171.8 secs Computing kpt #: 338 total cpu time spent up to now is 172.3 secs Computing kpt #: 339 total cpu time spent up to now is 172.8 secs Computing kpt #: 340 total cpu time spent up to now is 173.2 secs Computing kpt #: 341 total cpu time spent up to now is 173.7 secs Computing kpt #: 342 total cpu time spent up to now is 174.1 secs Computing kpt #: 343 total cpu time spent up to now is 174.6 secs Computing kpt #: 344 total cpu time spent up to now is 175.1 secs Computing kpt #: 345 total cpu time spent up to now is 175.6 secs Computing kpt #: 346 total cpu time spent up to now is 176.0 secs Computing kpt #: 347 total cpu time spent up to now is 176.5 secs Computing kpt #: 348 total cpu time spent up to now is 177.0 secs Computing kpt #: 349 total cpu time spent up to now is 177.5 secs Computing kpt #: 350 total cpu time spent up to now is 178.1 secs Computing kpt #: 351 total cpu time spent up to now is 178.6 secs Computing kpt #: 352 total cpu time spent up to now is 179.0 secs Computing kpt #: 353 total cpu time spent up to now is 179.5 secs Computing kpt #: 354 total cpu time spent up to now is 180.0 secs Computing kpt #: 355 total cpu time spent up to now is 180.5 secs Computing kpt #: 356 total cpu time spent up to now is 181.0 secs Computing kpt #: 357 total cpu time spent up to now is 181.5 secs Computing kpt #: 358 total cpu time spent up to now is 182.1 secs Computing kpt #: 359 total cpu time spent up to now is 182.7 secs Computing kpt #: 360 total cpu time spent up to now is 183.2 secs Computing kpt #: 361 total cpu time spent up to now is 183.7 secs Computing kpt #: 362 total cpu time spent up to now is 184.3 secs Computing kpt #: 363 total cpu time spent up to now is 184.8 secs Computing kpt #: 364 total cpu time spent up to now is 185.3 secs Computing kpt #: 365 total cpu time spent up to now is 185.8 secs Computing kpt #: 366 total cpu time spent up to now is 186.3 secs Computing kpt #: 367 total cpu time spent up to now is 186.8 secs Computing kpt #: 368 total cpu time spent up to now is 187.3 secs Computing kpt #: 369 total cpu time spent up to now is 187.8 secs Computing kpt #: 370 total cpu time spent up to now is 188.3 secs Computing kpt #: 371 total cpu time spent up to now is 188.7 secs Computing kpt #: 372 total cpu time spent up to now is 189.2 secs Computing kpt #: 373 total cpu time spent up to now is 189.7 secs Computing kpt #: 374 total cpu time spent up to now is 190.2 secs Computing kpt #: 375 total cpu time spent up to now is 190.7 secs Computing kpt #: 376 total cpu time spent up to now is 191.2 secs Computing kpt #: 377 total cpu time spent up to now is 191.6 secs Computing kpt #: 378 total cpu time spent up to now is 192.1 secs Computing kpt #: 379 total cpu time spent up to now is 192.6 secs Computing kpt #: 380 total cpu time spent up to now is 193.2 secs Computing kpt #: 381 total cpu time spent up to now is 193.8 secs Computing kpt #: 382 total cpu time spent up to now is 194.4 secs Computing kpt #: 383 total cpu time spent up to now is 195.0 secs Computing kpt #: 384 total cpu time spent up to now is 195.5 secs Computing kpt #: 385 total cpu time spent up to now is 196.0 secs Computing kpt #: 386 total cpu time spent up to now is 196.5 secs Computing kpt #: 387 total cpu time spent up to now is 197.0 secs Computing kpt #: 388 total cpu time spent up to now is 197.6 secs Computing kpt #: 389 total cpu time spent up to now is 198.1 secs Computing kpt #: 390 total cpu time spent up to now is 198.6 secs Computing kpt #: 391 total cpu time spent up to now is 199.1 secs Computing kpt #: 392 total cpu time spent up to now is 199.6 secs Computing kpt #: 393 total cpu time spent up to now is 200.1 secs Computing kpt #: 394 total cpu time spent up to now is 200.6 secs Computing kpt #: 395 total cpu time spent up to now is 201.1 secs Computing kpt #: 396 total cpu time spent up to now is 201.6 secs Computing kpt #: 397 total cpu time spent up to now is 202.1 secs Computing kpt #: 398 total cpu time spent up to now is 202.7 secs Computing kpt #: 399 total cpu time spent up to now is 203.3 secs Computing kpt #: 400 total cpu time spent up to now is 203.9 secs Computing kpt #: 401 total cpu time spent up to now is 204.4 secs Computing kpt #: 402 total cpu time spent up to now is 204.9 secs Computing kpt #: 403 total cpu time spent up to now is 205.5 secs Computing kpt #: 404 total cpu time spent up to now is 206.0 secs Computing kpt #: 405 total cpu time spent up to now is 206.6 secs Computing kpt #: 406 total cpu time spent up to now is 207.2 secs Computing kpt #: 407 total cpu time spent up to now is 207.7 secs Computing kpt #: 408 total cpu time spent up to now is 208.3 secs Computing kpt #: 409 total cpu time spent up to now is 208.9 secs Computing kpt #: 410 total cpu time spent up to now is 209.3 secs Computing kpt #: 411 total cpu time spent up to now is 209.8 secs Computing kpt #: 412 total cpu time spent up to now is 210.3 secs Computing kpt #: 413 total cpu time spent up to now is 210.7 secs Computing kpt #: 414 total cpu time spent up to now is 211.2 secs Computing kpt #: 415 total cpu time spent up to now is 211.7 secs Computing kpt #: 416 total cpu time spent up to now is 212.2 secs Computing kpt #: 417 total cpu time spent up to now is 212.6 secs Computing kpt #: 418 total cpu time spent up to now is 213.1 secs Computing kpt #: 419 total cpu time spent up to now is 213.6 secs Computing kpt #: 420 total cpu time spent up to now is 214.0 secs Computing kpt #: 421 total cpu time spent up to now is 214.5 secs Computing kpt #: 422 total cpu time spent up to now is 214.9 secs Computing kpt #: 423 total cpu time spent up to now is 215.4 secs Computing kpt #: 424 total cpu time spent up to now is 215.9 secs Computing kpt #: 425 total cpu time spent up to now is 216.3 secs Computing kpt #: 426 total cpu time spent up to now is 216.8 secs Computing kpt #: 427 total cpu time spent up to now is 217.2 secs Computing kpt #: 428 total cpu time spent up to now is 217.7 secs Computing kpt #: 429 total cpu time spent up to now is 218.1 secs Computing kpt #: 430 total cpu time spent up to now is 218.6 secs Computing kpt #: 431 total cpu time spent up to now is 219.0 secs Computing kpt #: 432 total cpu time spent up to now is 219.5 secs Computing kpt #: 433 total cpu time spent up to now is 219.9 secs Computing kpt #: 434 total cpu time spent up to now is 220.4 secs Computing kpt #: 435 total cpu time spent up to now is 220.8 secs Computing kpt #: 436 total cpu time spent up to now is 221.3 secs Computing kpt #: 437 total cpu time spent up to now is 221.8 secs Computing kpt #: 438 total cpu time spent up to now is 222.2 secs Computing kpt #: 439 total cpu time spent up to now is 222.7 secs Computing kpt #: 440 total cpu time spent up to now is 223.1 secs Computing kpt #: 441 total cpu time spent up to now is 223.6 secs Computing kpt #: 442 total cpu time spent up to now is 224.0 secs Computing kpt #: 443 total cpu time spent up to now is 224.5 secs Computing kpt #: 444 total cpu time spent up to now is 225.0 secs Computing kpt #: 445 total cpu time spent up to now is 225.4 secs Computing kpt #: 446 total cpu time spent up to now is 225.9 secs Computing kpt #: 447 total cpu time spent up to now is 226.4 secs Computing kpt #: 448 total cpu time spent up to now is 226.8 secs Computing kpt #: 449 total cpu time spent up to now is 227.3 secs Computing kpt #: 450 total cpu time spent up to now is 227.8 secs Computing kpt #: 451 total cpu time spent up to now is 228.2 secs Computing kpt #: 452 total cpu time spent up to now is 228.7 secs Computing kpt #: 453 total cpu time spent up to now is 229.1 secs Computing kpt #: 454 total cpu time spent up to now is 229.6 secs Computing kpt #: 455 total cpu time spent up to now is 230.1 secs Computing kpt #: 456 total cpu time spent up to now is 230.5 secs Computing kpt #: 457 total cpu time spent up to now is 231.0 secs Computing kpt #: 458 total cpu time spent up to now is 231.4 secs Computing kpt #: 459 total cpu time spent up to now is 231.9 secs Computing kpt #: 460 total cpu time spent up to now is 232.3 secs Computing kpt #: 461 total cpu time spent up to now is 232.8 secs Computing kpt #: 462 total cpu time spent up to now is 233.2 secs Computing kpt #: 463 total cpu time spent up to now is 233.7 secs Computing kpt #: 464 total cpu time spent up to now is 234.1 secs Computing kpt #: 465 total cpu time spent up to now is 234.6 secs Computing kpt #: 466 total cpu time spent up to now is 235.1 secs Computing kpt #: 467 total cpu time spent up to now is 235.5 secs Computing kpt #: 468 total cpu time spent up to now is 236.0 secs Computing kpt #: 469 total cpu time spent up to now is 236.4 secs Computing kpt #: 470 total cpu time spent up to now is 236.9 secs Computing kpt #: 471 total cpu time spent up to now is 237.3 secs Computing kpt #: 472 total cpu time spent up to now is 237.7 secs Computing kpt #: 473 total cpu time spent up to now is 238.2 secs Computing kpt #: 474 total cpu time spent up to now is 238.6 secs Computing kpt #: 475 total cpu time spent up to now is 239.1 secs Computing kpt #: 476 total cpu time spent up to now is 239.5 secs Computing kpt #: 477 total cpu time spent up to now is 239.9 secs Computing kpt #: 478 total cpu time spent up to now is 240.4 secs Computing kpt #: 479 total cpu time spent up to now is 240.8 secs Computing kpt #: 480 total cpu time spent up to now is 241.3 secs Computing kpt #: 481 total cpu time spent up to now is 241.7 secs Computing kpt #: 482 total cpu time spent up to now is 242.2 secs Computing kpt #: 483 total cpu time spent up to now is 242.7 secs Computing kpt #: 484 total cpu time spent up to now is 243.1 secs Computing kpt #: 485 total cpu time spent up to now is 243.6 secs Computing kpt #: 486 total cpu time spent up to now is 244.1 secs Computing kpt #: 487 total cpu time spent up to now is 244.5 secs Computing kpt #: 488 total cpu time spent up to now is 245.0 secs Computing kpt #: 489 total cpu time spent up to now is 245.5 secs Computing kpt #: 490 total cpu time spent up to now is 246.0 secs Computing kpt #: 491 total cpu time spent up to now is 246.5 secs Computing kpt #: 492 total cpu time spent up to now is 247.1 secs Computing kpt #: 493 total cpu time spent up to now is 247.6 secs Computing kpt #: 494 total cpu time spent up to now is 248.2 secs Computing kpt #: 495 total cpu time spent up to now is 248.7 secs Computing kpt #: 496 total cpu time spent up to now is 249.3 secs Computing kpt #: 497 total cpu time spent up to now is 249.8 secs Computing kpt #: 498 total cpu time spent up to now is 250.3 secs ethr = 3.57E-08, avg # of iterations = 18.4 total cpu time spent up to now is 250.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5625 PWs) bands (ev): -38.2266 -38.2266 -38.0873 -38.0873 -12.6352 -12.6352 -11.6048 -11.6048 -0.0038 -0.0038 1.4209 1.4209 1.5054 1.5054 2.9595 2.9595 3.9099 3.9099 3.9577 3.9577 4.6226 4.6226 5.0422 5.0422 5.6670 5.6670 6.1895 6.1895 7.7067 7.7067 9.4149 9.4149 12.3123 12.3123 16.4346 16.4346 k =-0.0044 0.0085 0.0130 ( 5625 PWs) bands (ev): -38.2266 -38.2266 -38.0873 -38.0873 -12.6346 -12.6346 -11.6047 -11.6047 -0.0029 -0.0029 1.4204 1.4204 1.5063 1.5063 2.9591 2.9591 3.9076 3.9076 3.9524 3.9524 4.6232 4.6232 5.0451 5.0451 5.6676 5.6676 6.1891 6.1891 7.7061 7.7061 9.4166 9.4166 12.3150 12.3150 16.4345 16.4345 k =-0.0088 0.0171 0.0259 ( 5629 PWs) bands (ev): -38.2265 -38.2265 -38.0873 -38.0873 -12.6330 -12.6330 -11.6044 -11.6044 -0.0003 -0.0003 1.4189 1.4189 1.5087 1.5087 2.9576 2.9576 3.8996 3.8996 3.9376 3.9376 4.6250 4.6250 5.0538 5.0538 5.6695 5.6695 6.1882 6.1882 7.7042 7.7042 9.4218 9.4218 12.3232 12.3232 16.4342 16.4342 k =-0.0132 0.0256 0.0389 ( 5629 PWs) bands (ev): -38.2262 -38.2262 -38.0874 -38.0874 -12.6303 -12.6303 -11.6039 -11.6039 0.0042 0.0042 1.4165 1.4165 1.5128 1.5128 2.9553 2.9553 3.8814 3.8814 3.9186 3.9186 4.6279 4.6279 5.0677 5.0677 5.6726 5.6726 6.1866 6.1866 7.7012 7.7012 9.4303 9.4303 12.3366 12.3366 16.4338 16.4338 k =-0.0177 0.0342 0.0518 ( 5633 PWs) bands (ev): -38.2259 -38.2259 -38.0875 -38.0875 -12.6265 -12.6265 -11.6032 -11.6032 0.0104 0.0104 1.4130 1.4130 1.5186 1.5186 2.9520 2.9520 3.8479 3.8479 3.9016 3.9016 4.6320 4.6320 5.0858 5.0858 5.6769 5.6769 6.1844 6.1844 7.6972 7.6972 9.4422 9.4422 12.3553 12.3553 16.4332 16.4332 k =-0.0221 0.0427 0.0648 ( 5637 PWs) bands (ev): -38.2256 -38.2256 -38.0876 -38.0876 -12.6216 -12.6216 -11.6024 -11.6024 0.0184 0.0184 1.4087 1.4087 1.5259 1.5259 2.9479 2.9479 3.8010 3.8010 3.8856 3.8856 4.6371 4.6371 5.1071 5.1071 5.6824 5.6824 6.1815 6.1815 7.6923 7.6923 9.4574 9.4574 12.3790 12.3790 16.4324 16.4324 k =-0.0265 0.0513 0.0777 ( 5625 PWs) bands (ev): -38.2251 -38.2251 -38.0877 -38.0877 -12.6157 -12.6157 -11.6013 -11.6013 0.0281 0.0281 1.4034 1.4034 1.5349 1.5349 2.9428 2.9428 3.7444 3.7444 3.8681 3.8681 4.6432 4.6432 5.1309 5.1309 5.6891 5.6891 6.1780 6.1780 7.6868 7.6868 9.4757 9.4757 12.4076 12.4076 16.4313 16.4313 k =-0.0309 0.0598 0.0907 ( 5621 PWs) bands (ev): -38.2245 -38.2245 -38.0878 -38.0878 -12.6087 -12.6087 -11.6001 -11.6001 0.0395 0.0395 1.3974 1.3974 1.5455 1.5455 2.9369 2.9369 3.6801 3.6801 3.8483 3.8483 4.6503 4.6503 5.1561 5.1561 5.6969 5.6969 6.1739 6.1739 7.6808 7.6808 9.4970 9.4970 12.4407 12.4407 16.4299 16.4299 k =-0.0353 0.0684 0.1037 ( 5621 PWs) bands (ev): -38.2238 -38.2238 -38.0879 -38.0879 -12.6006 -12.6006 -11.5987 -11.5987 0.0526 0.0526 1.3905 1.3905 1.5577 1.5577 2.9301 2.9301 3.6094 3.6094 3.8258 3.8258 4.6584 4.6584 5.1821 5.1821 5.7059 5.7059 6.1691 6.1691 7.6745 7.6745 9.5211 9.5211 12.4781 12.4781 16.4282 16.4282 k =-0.0397 0.0769 0.1166 ( 5621 PWs) bands (ev): -38.2231 -38.2231 -38.0881 -38.0881 -12.5916 -12.5916 -11.5972 -11.5972 0.0674 0.0674 1.3830 1.3830 1.5715 1.5715 2.9224 2.9224 3.5331 3.5331 3.8003 3.8003 4.6674 4.6674 5.2083 5.2083 5.7159 5.7159 6.1637 6.1637 7.6683 7.6683 9.5480 9.5480 12.5194 12.5194 16.4261 16.4261 k =-0.0441 0.0855 0.1296 ( 5625 PWs) bands (ev): -38.2223 -38.2223 -38.0883 -38.0883 -12.5815 -12.5815 -11.5955 -11.5955 0.0839 0.0839 1.3748 1.3748 1.5869 1.5869 2.9140 2.9140 3.4522 3.4522 3.7719 3.7719 4.6773 4.6773 5.2343 5.2343 5.7269 5.7269 6.1577 6.1577 7.6623 7.6623 9.5774 9.5774 12.5645 12.5645 16.4235 16.4235 k =-0.0486 0.0940 0.1425 ( 5627 PWs) bands (ev): -38.2214 -38.2214 -38.0885 -38.0885 -12.5705 -12.5705 -11.5936 -11.5936 0.1019 0.1019 1.3660 1.3660 1.6039 1.6039 2.9048 2.9048 3.3673 3.3673 3.7405 3.7405 4.6882 4.6882 5.2596 5.2596 5.7388 5.7388 6.1510 6.1510 7.6569 7.6569 9.6093 9.6093 12.6128 12.6128 16.4205 16.4205 k =-0.0530 0.1026 0.1555 ( 5617 PWs) bands (ev): -38.2205 -38.2205 -38.0888 -38.0888 -12.5585 -12.5585 -11.5916 -11.5916 0.1215 0.1215 1.3568 1.3568 1.6224 1.6224 2.8949 2.8949 3.2790 3.2790 3.7062 3.7062 4.6999 4.6999 5.2841 5.2841 5.7517 5.7517 6.1437 6.1437 7.6521 7.6521 9.6434 9.6434 12.6642 12.6642 16.4169 16.4169 k =-0.0574 0.1111 0.1684 ( 5629 PWs) bands (ev): -38.2194 -38.2194 -38.0890 -38.0890 -12.5455 -12.5455 -11.5895 -11.5895 0.1426 0.1426 1.3471 1.3471 1.6425 1.6425 2.8843 2.8843 3.1877 3.1877 3.6689 3.6689 4.7125 4.7125 5.3076 5.3076 5.7653 5.7653 6.1357 6.1357 7.6482 7.6482 9.6795 9.6795 12.7183 12.7183 16.4126 16.4126 k =-0.0618 0.1197 0.1814 ( 5625 PWs) bands (ev): -38.2183 -38.2183 -38.0893 -38.0893 -12.5317 -12.5317 -11.5873 -11.5873 0.1652 0.1652 1.3372 1.3372 1.6641 1.6641 2.8730 2.8730 3.0940 3.0940 3.6287 3.6287 4.7259 4.7259 5.3299 5.3299 5.7798 5.7798 6.1271 6.1271 7.6453 7.6453 9.7176 9.7176 12.7748 12.7748 16.4077 16.4077 k =-0.0662 0.1282 0.1944 ( 5625 PWs) bands (ev): -38.2171 -38.2171 -38.0896 -38.0896 -12.5169 -12.5169 -11.5849 -11.5849 0.1891 0.1891 1.3270 1.3270 1.6872 1.6872 2.8610 2.8610 2.9982 2.9982 3.5857 3.5857 4.7402 4.7402 5.3510 5.3510 5.7949 5.7949 6.1180 6.1180 7.6436 7.6436 9.7574 9.7574 12.8333 12.8333 16.4019 16.4019 k =-0.0706 0.1368 0.2073 ( 5625 PWs) bands (ev): -38.2158 -38.2158 -38.0900 -38.0900 -12.5013 -12.5013 -11.5825 -11.5825 0.2144 0.2144 1.3167 1.3167 1.7118 1.7118 2.8483 2.8483 2.9009 2.9009 3.5400 3.5400 4.7552 4.7552 5.3708 5.3708 5.8106 5.8106 6.1082 6.1082 7.6432 7.6432 9.7989 9.7989 12.8936 12.8936 16.3954 16.3954 k =-0.0750 0.1453 0.2203 ( 5621 PWs) bands (ev): -38.2145 -38.2145 -38.0903 -38.0903 -12.4848 -12.4848 -11.5800 -11.5800 0.2409 0.2409 1.3063 1.3063 1.7378 1.7378 2.8011 2.8011 2.8362 2.8362 3.4918 3.4918 4.7709 4.7709 5.3893 5.3893 5.8267 5.8267 6.0979 6.0979 7.6441 7.6441 9.8419 9.8419 12.9554 12.9554 16.3879 16.3879 k =-0.0795 0.1538 0.2332 ( 5621 PWs) bands (ev): -38.2131 -38.2131 -38.0907 -38.0907 -12.4676 -12.4676 -11.5774 -11.5774 0.2686 0.2686 1.2959 1.2959 1.7653 1.7653 2.7017 2.7017 2.8222 2.8222 3.4411 3.4411 4.7874 4.7874 5.4066 5.4066 5.8433 5.8433 6.0871 6.0871 7.6464 7.6464 9.8862 9.8862 13.0185 13.0185 16.3794 16.3794 k =-0.0839 0.1624 0.2462 ( 5617 PWs) bands (ev): -38.2116 -38.2116 -38.0911 -38.0911 -12.4496 -12.4496 -11.5747 -11.5747 0.2973 0.2973 1.2857 1.2857 1.7942 1.7942 2.6014 2.6014 2.8081 2.8081 3.3882 3.3882 4.8045 4.8045 5.4226 5.4226 5.8601 5.8601 6.0758 6.0758 7.6501 7.6501 9.9319 9.9319 13.0825 13.0825 16.3699 16.3699 k =-0.0883 0.1709 0.2591 ( 5613 PWs) bands (ev): -38.2101 -38.2101 -38.0916 -38.0916 -12.4309 -12.4309 -11.5720 -11.5720 0.3270 0.3270 1.2756 1.2756 1.8244 1.8244 2.5007 2.5007 2.7936 2.7936 3.3332 3.3332 4.8222 4.8222 5.4373 5.4373 5.8769 5.8769 6.0643 6.0643 7.6551 7.6551 9.9788 9.9788 13.1472 13.1472 16.3593 16.3593 k =-0.0927 0.1795 0.2721 ( 5609 PWs) bands (ev): -38.2085 -38.2085 -38.0921 -38.0921 -12.4115 -12.4115 -11.5693 -11.5693 0.3574 0.3574 1.2657 1.2657 1.8560 1.8560 2.4000 2.4000 2.7787 2.7787 3.2763 3.2763 4.8406 4.8406 5.4508 5.4508 5.8934 5.8934 6.0526 6.0526 7.6614 7.6614 10.0268 10.0268 13.2125 13.2125 16.3476 16.3476 k =-0.0971 0.1880 0.2850 ( 5597 PWs) bands (ev): -38.2068 -38.2068 -38.0926 -38.0926 -12.3915 -12.3915 -11.5666 -11.5666 0.3885 0.3885 1.2562 1.2562 1.8890 1.8890 2.2998 2.2998 2.7634 2.7634 3.2177 3.2177 4.8594 4.8594 5.4631 5.4631 5.9092 5.9092 6.0413 6.0413 7.6688 7.6688 10.0760 10.0760 13.2782 13.2782 16.3347 16.3347 k =-0.1015 0.1966 0.2980 ( 5597 PWs) bands (ev): -38.2051 -38.2051 -38.0931 -38.0931 -12.3709 -12.3709 -11.5638 -11.5638 0.4200 0.4200 1.2470 1.2470 1.9231 1.9231 2.2003 2.2003 2.7478 2.7478 3.1577 3.1577 4.8787 4.8787 5.4742 5.4742 5.9233 5.9233 6.0312 6.0312 7.6774 7.6774 10.1261 10.1261 13.3439 13.3439 16.3206 16.3206 k =-0.1059 0.2051 0.3110 ( 5597 PWs) bands (ev): -38.2033 -38.2033 -38.0937 -38.0937 -12.3498 -12.3498 -11.5611 -11.5611 0.4516 0.4516 1.2383 1.2383 1.9585 1.9585 2.1021 2.1021 2.7319 2.7319 3.0964 3.0964 4.8984 4.8984 5.4842 5.4842 5.9340 5.9340 6.0239 6.0239 7.6869 7.6869 10.1773 10.1773 13.4097 13.4097 16.3053 16.3053 k =-0.1104 0.2137 0.3239 ( 5597 PWs) bands (ev): -38.2015 -38.2015 -38.0943 -38.0943 -12.3282 -12.3282 -11.5584 -11.5584 0.4830 0.4830 1.2300 1.2300 1.9931 1.9931 2.0076 2.0076 2.7157 2.7157 3.0342 3.0342 4.9185 4.9185 5.4932 5.4932 5.9388 5.9388 6.0220 6.0220 7.6973 7.6973 10.2295 10.2295 13.4753 13.4753 16.2888 16.2888 k =-0.1148 0.2222 0.3369 ( 5599 PWs) bands (ev): -38.1997 -38.1997 -38.0949 -38.0949 -12.3061 -12.3061 -11.5558 -11.5558 0.5138 0.5138 1.2222 1.2222 1.9107 1.9107 2.0335 2.0335 2.6994 2.6994 2.9713 2.9713 4.9389 4.9389 5.5011 5.5011 5.9359 5.9359 6.0270 6.0270 7.7083 7.7083 10.2826 10.2826 13.5405 13.5405 16.2711 16.2711 k =-0.1192 0.2308 0.3498 ( 5607 PWs) bands (ev): -38.1978 -38.1978 -38.0956 -38.0956 -12.2836 -12.2836 -11.5532 -11.5532 0.5435 0.5435 1.2150 1.2150 1.8192 1.8192 2.0723 2.0723 2.6828 2.6828 2.9079 2.9079 4.9595 4.9595 5.5080 5.5080 5.9266 5.9266 6.0377 6.0377 7.7199 7.7199 10.3368 10.3368 13.6053 13.6053 16.2523 16.2523 k =-0.1236 0.2393 0.3628 ( 5599 PWs) bands (ev): -38.1958 -38.1958 -38.0963 -38.0963 -12.2608 -12.2608 -11.5508 -11.5508 0.5713 0.5713 1.2082 1.2082 1.7313 1.7313 2.1123 2.1123 2.6660 2.6660 2.8443 2.8443 4.9803 4.9803 5.5139 5.5139 5.9133 5.9133 6.0516 6.0516 7.7319 7.7319 10.3919 10.3919 13.6695 13.6695 16.2323 16.2323 k =-0.1280 0.2479 0.3757 ( 5591 PWs) bands (ev): -38.1938 -38.1938 -38.0971 -38.0971 -12.2378 -12.2378 -11.5484 -11.5484 0.5964 0.5964 1.2020 1.2020 1.6482 1.6482 2.1533 2.1533 2.6491 2.6491 2.7808 2.7808 5.0011 5.0011 5.5189 5.5189 5.8976 5.8976 6.0670 6.0670 7.7441 7.7441 10.4481 10.4481 13.7330 13.7330 16.2113 16.2113 k =-0.1324 0.2564 0.3887 ( 5591 PWs) bands (ev): -38.1918 -38.1918 -38.0979 -38.0979 -12.2145 -12.2145 -11.5461 -11.5461 0.6175 0.6175 1.1963 1.1963 1.5710 1.5710 2.1954 2.1954 2.6321 2.6321 2.7176 2.7176 5.0220 5.0220 5.5231 5.5231 5.8804 5.8804 6.0831 6.0831 7.7564 7.7564 10.5054 10.5054 13.7957 13.7957 16.1894 16.1894 k =-0.1368 0.2650 0.4017 ( 5587 PWs) bands (ev): -38.1898 -38.1898 -38.0987 -38.0987 -12.1911 -12.1911 -11.5440 -11.5440 0.6331 0.6331 1.1911 1.1911 1.5015 1.5015 2.2383 2.2383 2.6150 2.6150 2.6552 2.6552 5.0428 5.0428 5.5265 5.5265 5.8620 5.8620 6.0993 6.0993 7.7685 7.7685 10.5638 10.5638 13.8574 13.8574 16.1666 16.1666 k =-0.1413 0.2735 0.4146 ( 5589 PWs) bands (ev): -38.1877 -38.1877 -38.0996 -38.0996 -12.1675 -12.1675 -11.5420 -11.5420 0.6412 0.6412 1.1863 1.1863 1.4416 1.4416 2.2821 2.2821 2.5925 2.5925 2.5990 2.5990 5.0634 5.0634 5.5290 5.5290 5.8429 5.8429 6.1153 6.1153 7.7804 7.7804 10.6233 10.6233 13.9181 13.9181 16.1431 16.1431 k =-0.1457 0.2821 0.4276 ( 5585 PWs) bands (ev): -38.1856 -38.1856 -38.1005 -38.1005 -12.1440 -12.1440 -11.5401 -11.5401 0.6399 0.6399 1.1819 1.1819 1.3934 1.3934 2.3266 2.3266 2.5330 2.5330 2.5810 2.5810 5.0838 5.0838 5.5309 5.5309 5.8230 5.8230 6.1310 6.1310 7.7919 7.7919 10.6841 10.6841 13.9777 13.9777 16.1190 16.1190 k =-0.1501 0.2906 0.4405 ( 5591 PWs) bands (ev): -38.1834 -38.1834 -38.1015 -38.1015 -12.1204 -12.1204 -11.5385 -11.5385 0.6275 0.6275 1.1776 1.1776 1.3585 1.3585 2.3716 2.3716 2.4744 2.4744 2.5638 2.5638 5.1039 5.1039 5.5320 5.5320 5.8027 5.8027 6.1462 6.1462 7.8028 7.8028 10.7461 10.7461 14.0360 14.0360 16.0942 16.0942 k =-0.1545 0.2991 0.4535 ( 5591 PWs) bands (ev): -38.1813 -38.1813 -38.1025 -38.1025 -12.0970 -12.0970 -11.5370 -11.5370 0.6035 0.6035 1.1734 1.1734 1.3376 1.3376 2.4102 2.4102 2.4249 2.4249 2.5467 2.5467 5.1235 5.1235 5.5326 5.5326 5.7819 5.7819 6.1608 6.1608 7.8129 7.8129 10.8094 10.8094 14.0930 14.0930 16.0605 16.0605 k =-0.1589 0.3077 0.4664 ( 5591 PWs) bands (ev): -38.1791 -38.1791 -38.1035 -38.1035 -12.0738 -12.0738 -11.5357 -11.5357 0.5687 0.5687 1.1691 1.1691 1.3300 1.3300 2.3617 2.3617 2.4650 2.4650 2.5298 2.5298 5.1425 5.1425 5.5325 5.5325 5.7609 5.7609 6.1746 6.1746 7.8223 7.8223 10.8742 10.8742 14.1485 14.1485 15.9408 15.9408 k =-0.1633 0.3162 0.4794 ( 5597 PWs) bands (ev): -38.1769 -38.1769 -38.1046 -38.1046 -12.0507 -12.0507 -11.5347 -11.5347 0.5248 0.5248 1.1645 1.1645 1.3339 1.3339 2.3099 2.3099 2.5068 2.5068 2.5177 2.5177 5.1609 5.1609 5.5319 5.5319 5.7398 5.7398 6.1875 6.1875 7.8306 7.8306 10.9404 10.9404 14.2025 14.2025 15.8138 15.8138 k =-0.1678 0.3248 0.4924 ( 5599 PWs) bands (ev): -38.1747 -38.1747 -38.1057 -38.1057 -12.0280 -12.0280 -11.5339 -11.5339 0.4741 0.4741 1.1594 1.1594 1.3470 1.3470 2.2609 2.2609 2.4947 2.4947 2.5602 2.5602 5.1785 5.1785 5.5308 5.5308 5.7187 5.7187 6.1996 6.1996 7.8379 7.8379 11.0081 11.0081 14.2548 14.2548 15.6847 15.6847 k =-0.1722 0.3333 0.5053 ( 5603 PWs) bands (ev): -38.1725 -38.1725 -38.1069 -38.1069 -12.0057 -12.0057 -11.5333 -11.5333 0.4190 0.4190 1.1535 1.1535 1.3670 1.3670 2.2154 2.2154 2.4780 2.4780 2.6078 2.6078 5.1951 5.1951 5.5291 5.5291 5.6978 5.6978 6.2107 6.2107 7.8439 7.8439 11.0775 11.0775 14.3052 14.3052 15.5542 15.5542 k =-0.1766 0.3419 0.5183 ( 5601 PWs) bands (ev): -38.1703 -38.1703 -38.1081 -38.1081 -11.9838 -11.9838 -11.5330 -11.5330 0.3613 0.3613 1.1465 1.1465 1.3920 1.3920 2.1737 2.1737 2.4612 2.4612 2.6557 2.6557 5.2106 5.2106 5.5267 5.5267 5.6774 5.6774 6.2207 6.2207 7.8486 7.8486 11.1485 11.1485 14.3538 14.3538 15.4230 15.4230 k =-0.1810 0.3504 0.5312 ( 5601 PWs) bands (ev): -38.1681 -38.1681 -38.1094 -38.1094 -11.9624 -11.9624 -11.5330 -11.5330 0.3025 0.3025 1.1382 1.1382 1.4206 1.4206 2.1362 2.1362 2.4445 2.4445 2.7039 2.7039 5.2250 5.2250 5.5236 5.5236 5.6580 5.6580 6.2296 6.2296 7.8520 7.8520 11.2212 11.2212 14.4003 14.4003 15.2918 15.2918 k =-0.1854 0.3590 0.5442 ( 5603 PWs) bands (ev): -38.1659 -38.1659 -38.1107 -38.1107 -11.9416 -11.9416 -11.5332 -11.5332 0.2437 0.2437 1.1283 1.1283 1.4516 1.4516 2.1035 2.1035 2.4279 2.4279 2.7520 2.7520 5.2379 5.2379 5.5194 5.5194 5.6400 5.6400 6.2373 6.2373 7.8539 7.8539 11.2957 11.2957 14.4445 14.4445 15.1609 15.1609 k =-0.1898 0.3675 0.5571 ( 5603 PWs) bands (ev): -38.1636 -38.1636 -38.1120 -38.1120 -11.9214 -11.9214 -11.5337 -11.5337 0.1858 0.1858 1.1165 1.1165 1.4842 1.4842 2.0757 2.0757 2.4113 2.4113 2.8001 2.8001 5.2494 5.2494 5.5136 5.5136 5.6242 5.6242 6.2439 6.2439 7.8542 7.8542 11.3720 11.3720 14.4865 14.4865 15.0307 15.0307 k =-0.1942 0.3761 0.5701 ( 5599 PWs) bands (ev): -38.1614 -38.1614 -38.1134 -38.1134 -11.9020 -11.9020 -11.5346 -11.5346 0.1294 0.1294 1.1028 1.1028 1.5177 1.5177 2.0533 2.0533 2.3950 2.3950 2.8479 2.8479 5.2592 5.2592 5.5058 5.5058 5.6112 5.6112 6.2491 6.2491 7.8530 7.8530 11.4502 11.4502 14.5259 14.5259 14.9018 14.9018 k =-0.1987 0.3846 0.5831 ( 5597 PWs) bands (ev): -38.1592 -38.1592 -38.1148 -38.1148 -11.8833 -11.8833 -11.5357 -11.5357 0.0751 0.0751 1.0869 1.0869 1.5515 1.5515 2.0364 2.0364 2.3787 2.3787 2.8954 2.8954 5.2674 5.2674 5.4956 5.4956 5.6017 5.6017 6.2531 6.2531 7.8501 7.8501 11.5303 11.5303 14.5627 14.5627 14.7742 14.7742 k =-0.2031 0.3932 0.5960 ( 5589 PWs) bands (ev): -38.1570 -38.1570 -38.1163 -38.1163 -11.8655 -11.8655 -11.5371 -11.5371 0.0231 0.0231 1.0689 1.0689 1.5852 1.5852 2.0250 2.0250 2.3626 2.3626 2.9423 2.9423 5.2738 5.2738 5.4831 5.4831 5.5957 5.5957 6.2558 6.2558 7.8456 7.8456 11.6123 11.6123 14.5968 14.5968 14.6484 14.6484 k =-0.2075 0.4017 0.6090 ( 5593 PWs) bands (ev): -38.1549 -38.1549 -38.1178 -38.1178 -11.8486 -11.8486 -11.5389 -11.5389 -0.0261 -0.0261 1.0489 1.0489 1.6185 1.6185 2.0191 2.0191 2.3466 2.3466 2.9886 2.9886 5.2783 5.2783 5.4688 5.4688 5.5929 5.5929 6.2572 6.2572 7.8393 7.8393 11.6963 11.6963 14.5245 14.5245 14.6279 14.6279 k =-0.2119 0.4103 0.6219 ( 5591 PWs) bands (ev): -38.1527 -38.1527 -38.1194 -38.1194 -11.8326 -11.8326 -11.5409 -11.5409 -0.0723 -0.0723 1.0270 1.0270 1.6511 1.6511 2.0186 2.0186 2.3308 2.3308 3.0340 3.0340 5.2811 5.2811 5.4535 5.4535 5.5927 5.5927 6.2572 6.2572 7.8314 7.8314 11.7821 11.7821 14.4030 14.4030 14.6558 14.6558 k =-0.2163 0.4188 0.6349 ( 5591 PWs) bands (ev): -38.1505 -38.1505 -38.1210 -38.1210 -11.8176 -11.8176 -11.5433 -11.5433 -0.1152 -0.1152 1.0037 1.0037 1.6826 1.6826 2.0233 2.0233 2.3151 2.3151 3.0784 3.0784 5.2823 5.2823 5.4378 5.4378 5.5944 5.5944 6.2559 6.2559 7.8217 7.8217 11.8698 11.8698 14.2839 14.2839 14.6805 14.6805 k =-0.2207 0.4274 0.6478 ( 5591 PWs) bands (ev): -38.1484 -38.1484 -38.1227 -38.1227 -11.8038 -11.8038 -11.5460 -11.5460 -0.1548 -0.1548 0.9790 0.9790 1.7129 1.7129 2.0329 2.0329 2.2995 2.2995 3.1216 3.1216 5.2818 5.2818 5.4225 5.4225 5.5977 5.5977 6.2533 6.2533 7.8104 7.8104 11.9591 11.9591 14.1676 14.1676 14.7018 14.7018 k =-0.2251 0.4359 0.6608 ( 5579 PWs) bands (ev): -38.1463 -38.1463 -38.1243 -38.1243 -11.7910 -11.7910 -11.5491 -11.5491 -0.1909 -0.1909 0.9535 0.9535 1.7417 1.7417 2.0471 2.0471 2.2841 2.2841 3.1634 3.1634 5.2799 5.2799 5.4079 5.4079 5.6021 5.6021 6.2494 6.2494 7.7974 7.7974 12.0499 12.0499 14.0544 14.0544 14.7196 14.7196 k =-0.2296 0.4444 0.6738 ( 5591 PWs) bands (ev): -38.1442 -38.1442 -38.1261 -38.1261 -11.7794 -11.7794 -11.5524 -11.5524 -0.2232 -0.2232 0.9274 0.9274 1.7689 1.7689 2.0655 2.0655 2.2688 2.2688 3.2036 3.2036 5.2768 5.2768 5.3943 5.3943 5.6074 5.6074 6.2442 6.2442 7.7828 7.7828 12.1419 12.1419 13.9449 13.9449 14.7337 14.7337 k =-0.2340 0.4530 0.6867 ( 5597 PWs) bands (ev): -38.1422 -38.1422 -38.1279 -38.1279 -11.7690 -11.7690 -11.5561 -11.5561 -0.2518 -0.2518 0.9011 0.9011 1.7943 1.7943 2.0878 2.0878 2.2536 2.2536 3.2419 3.2419 5.2727 5.2727 5.3820 5.3820 5.6132 5.6132 6.2377 6.2377 7.7665 7.7665 12.2346 12.2346 13.8395 13.8395 14.7441 14.7441 k =-0.2384 0.4615 0.6997 ( 5597 PWs) bands (ev): -38.1401 -38.1401 -38.1297 -38.1297 -11.7599 -11.7599 -11.5602 -11.5602 -0.2765 -0.2765 0.8749 0.8749 1.8177 1.8177 2.1137 2.1137 2.2386 2.2386 3.2783 3.2783 5.2678 5.2678 5.3712 5.3712 5.6194 5.6194 6.2300 6.2300 7.7487 7.7487 12.3271 12.3271 13.7392 13.7392 14.7507 14.7507 k =-0.2428 0.4701 0.7126 ( 5602 PWs) bands (ev): -38.1381 -38.1381 -38.1315 -38.1315 -11.7520 -11.7520 -11.5645 -11.5645 -0.2972 -0.2972 0.8490 0.8490 1.8390 1.8390 2.1429 2.1429 2.2238 2.2238 3.3124 3.3124 5.2625 5.2625 5.3619 5.3619 5.6258 5.6258 6.2212 6.2212 7.7294 7.7294 12.4181 12.4181 13.6453 13.6453 14.7534 14.7534 k =-0.2472 0.4786 0.7256 ( 5596 PWs) bands (ev): -38.1362 -38.1362 -38.1334 -38.1334 -11.7454 -11.7454 -11.5692 -11.5692 -0.3139 -0.3139 0.8238 0.8238 1.8582 1.8582 2.1750 2.1750 2.2092 2.2092 3.3440 3.3440 5.2570 5.2570 5.3542 5.3542 5.6324 5.6324 6.2113 6.2113 7.7087 7.7087 12.5054 12.5054 13.5603 13.5603 14.7521 14.7521 k =-0.2516 0.4872 0.7385 ( 5596 PWs) bands (ev): -38.1353 -38.1353 -38.1342 -38.1342 -11.7401 -11.7401 -11.5741 -11.5741 -0.3266 -0.3266 0.7994 0.7994 1.8750 1.8750 2.1933 2.1933 2.2112 2.2112 3.3730 3.3730 5.2516 5.2516 5.3481 5.3481 5.6390 5.6390 6.2003 6.2003 7.6867 7.6867 12.5853 12.5853 13.4877 13.4877 14.7469 14.7469 k =-0.2560 0.4957 0.7515 ( 5596 PWs) bands (ev): -38.1373 -38.1373 -38.1323 -38.1323 -11.7362 -11.7362 -11.5794 -11.5794 -0.3351 -0.3351 0.7760 0.7760 1.8895 1.8895 2.1793 2.1793 2.2482 2.2482 3.3991 3.3991 5.2466 5.2466 5.3437 5.3437 5.6456 5.6456 6.1883 6.1883 7.6634 7.6634 12.6517 12.6517 13.4336 13.4336 14.7379 14.7379 k =-0.2605 0.5043 0.7644 ( 5596 PWs) bands (ev): -38.1393 -38.1393 -38.1305 -38.1305 -11.7336 -11.7336 -11.5850 -11.5850 -0.3395 -0.3395 0.7538 0.7538 1.9016 1.9016 2.1648 2.1648 2.2880 2.2880 3.4222 3.4222 5.2419 5.2419 5.3411 5.3411 5.6522 5.6522 6.1755 6.1755 7.6389 7.6389 12.6961 12.6961 13.4066 13.4066 14.7250 14.7250 k =-0.2649 0.5128 0.7774 ( 5586 PWs) bands (ev): -38.1413 -38.1413 -38.1286 -38.1286 -11.7323 -11.7323 -11.5909 -11.5909 -0.3398 -0.3398 0.7330 0.7330 1.9112 1.9112 2.1504 2.1504 2.3299 2.3299 3.4422 3.4422 5.2375 5.2375 5.3405 5.3405 5.6588 5.6588 6.1618 6.1618 7.6134 7.6134 12.7108 12.7108 13.4144 13.4144 14.7083 14.7083 k =-0.2693 0.5214 0.7904 ( 5594 PWs) bands (ev): -38.1434 -38.1434 -38.1269 -38.1269 -11.7323 -11.7323 -11.5970 -11.5970 -0.3360 -0.3360 0.7136 0.7136 1.9184 1.9184 2.1361 2.1361 2.3737 2.3737 3.4589 3.4589 5.2332 5.2332 5.3422 5.3422 5.6652 5.6652 6.1474 6.1474 7.5870 7.5870 12.6947 12.6947 13.4579 13.4579 14.6880 14.6880 k =-0.2737 0.5299 0.8033 ( 5594 PWs) bands (ev): -38.1454 -38.1454 -38.1251 -38.1251 -11.7337 -11.7337 -11.6035 -11.6035 -0.3281 -0.3281 0.6958 0.6958 1.9231 1.9231 2.1218 2.1218 2.4192 2.4192 3.4723 3.4723 5.2289 5.2289 5.3464 5.3464 5.6716 5.6716 6.1323 6.1323 7.5598 7.5598 12.6543 12.6543 13.5306 13.5306 14.6641 14.6641 k =-0.2737 0.5299 0.8033 ( 5594 PWs) bands (ev): -38.1454 -38.1454 -38.1251 -38.1251 -11.7337 -11.7337 -11.6035 -11.6035 -0.3281 -0.3281 0.6958 0.6958 1.9231 1.9231 2.1218 2.1218 2.4192 2.4192 3.4723 3.4723 5.2289 5.2289 5.3464 5.3464 5.6716 5.6716 6.1323 6.1323 7.5598 7.5598 12.6543 12.6543 13.5306 13.5306 14.6641 14.6641 k =-0.2678 0.5185 0.8129 ( 5592 PWs) bands (ev): -38.1454 -38.1454 -38.1251 -38.1251 -11.7338 -11.7338 -11.6035 -11.6035 -0.3276 -0.3276 0.6962 0.6962 1.9214 1.9214 2.1230 2.1230 2.4187 2.4187 3.4725 3.4725 5.2293 5.2293 5.3463 5.3463 5.6719 5.6719 6.1324 6.1324 7.5598 7.5598 12.6509 12.6509 13.5291 13.5291 14.6623 14.6623 k =-0.2619 0.5070 0.8225 ( 5594 PWs) bands (ev): -38.1454 -38.1454 -38.1251 -38.1251 -11.7340 -11.7340 -11.6036 -11.6036 -0.3263 -0.3263 0.6974 0.6974 1.9164 1.9164 2.1265 2.1265 2.4173 2.4173 3.4732 3.4732 5.2305 5.2305 5.3459 5.3459 5.6725 5.6725 6.1329 6.1329 7.5597 7.5597 12.6406 12.6406 13.5249 13.5249 14.6567 14.6567 k =-0.2560 0.4956 0.8320 ( 5592 PWs) bands (ev): -38.1453 -38.1453 -38.1252 -38.1252 -11.7343 -11.7343 -11.6039 -11.6039 -0.3240 -0.3240 0.6995 0.6995 1.9086 1.9086 2.1320 2.1320 2.4148 2.4148 3.4743 3.4743 5.2324 5.2324 5.3453 5.3453 5.6737 5.6737 6.1336 6.1336 7.5597 7.5597 12.6231 12.6231 13.5187 13.5187 14.6476 14.6476 k =-0.2500 0.4841 0.8416 ( 5601 PWs) bands (ev): -38.1453 -38.1453 -38.1252 -38.1252 -11.7348 -11.7348 -11.6042 -11.6042 -0.3209 -0.3209 0.7024 0.7024 1.8983 1.8983 2.1389 2.1389 2.4114 2.4114 3.4759 3.4759 5.2350 5.2350 5.3446 5.3446 5.6753 5.6753 6.1346 6.1346 7.5597 7.5597 12.5981 12.5981 13.5115 13.5115 14.6351 14.6351 k =-0.2441 0.4727 0.8512 ( 5605 PWs) bands (ev): -38.1452 -38.1452 -38.1252 -38.1252 -11.7354 -11.7354 -11.6046 -11.6046 -0.3169 -0.3169 0.7062 0.7062 1.8863 1.8863 2.1468 2.1468 2.4071 2.4071 3.4778 3.4778 5.2383 5.2383 5.3437 5.3437 5.6775 5.6775 6.1360 6.1360 7.5596 7.5596 12.5651 12.5651 13.5045 13.5045 14.6191 14.6191 k =-0.2382 0.4612 0.8607 ( 5608 PWs) bands (ev): -38.1451 -38.1451 -38.1253 -38.1253 -11.7361 -11.7361 -11.6051 -11.6051 -0.3120 -0.3120 0.7107 0.7107 1.8728 1.8728 2.1551 2.1551 2.4018 2.4018 3.4802 3.4802 5.2421 5.2421 5.3428 5.3428 5.6801 5.6801 6.1376 6.1376 7.5595 7.5595 12.5239 12.5239 13.4989 13.4989 14.6001 14.6001 k =-0.2323 0.4498 0.8703 ( 5604 PWs) bands (ev): -38.1450 -38.1450 -38.1254 -38.1254 -11.7369 -11.7369 -11.6057 -11.6057 -0.3063 -0.3063 0.7160 0.7160 1.8582 1.8582 2.1635 2.1635 2.3957 2.3957 3.4828 3.4828 5.2463 5.2463 5.3419 5.3419 5.6834 5.6834 6.1395 6.1395 7.5595 7.5595 12.4744 12.4744 13.4960 13.4960 14.5782 14.5782 k =-0.2264 0.4383 0.8799 ( 5604 PWs) bands (ev): -38.1448 -38.1448 -38.1254 -38.1254 -11.7379 -11.7379 -11.6063 -11.6063 -0.2997 -0.2997 0.7222 0.7222 1.8429 1.8429 2.1718 2.1718 2.3887 2.3887 3.4858 3.4858 5.2507 5.2507 5.3411 5.3411 5.6872 5.6872 6.1417 6.1417 7.5594 7.5594 12.4167 12.4167 13.4965 13.4965 14.5536 14.5536 k =-0.2205 0.4269 0.8894 ( 5606 PWs) bands (ev): -38.1447 -38.1447 -38.1255 -38.1255 -11.7389 -11.7389 -11.6071 -11.6071 -0.2924 -0.2924 0.7291 0.7291 1.8272 1.8272 2.1796 2.1796 2.3808 2.3808 3.4891 3.4891 5.2551 5.2551 5.3407 5.3407 5.6917 5.6917 6.1443 6.1443 7.5593 7.5593 12.3512 12.3512 13.5011 13.5011 14.5266 14.5266 k =-0.2146 0.4154 0.8990 ( 5602 PWs) bands (ev): -38.1445 -38.1445 -38.1256 -38.1256 -11.7401 -11.7401 -11.6079 -11.6079 -0.2843 -0.2843 0.7368 0.7368 1.8112 1.8112 2.1869 2.1869 2.3722 2.3722 3.4925 3.4925 5.2593 5.2593 5.3408 5.3408 5.6968 5.6968 6.1471 6.1471 7.5593 7.5593 12.2786 12.2786 13.5100 13.5100 14.4975 14.4975 k =-0.2086 0.4040 0.9086 ( 5604 PWs) bands (ev): -38.1443 -38.1443 -38.1257 -38.1257 -11.7414 -11.7414 -11.6087 -11.6087 -0.2754 -0.2754 0.7453 0.7453 1.7950 1.7950 2.1934 2.1934 2.3627 2.3627 3.4961 3.4961 5.2630 5.2630 5.3417 5.3417 5.7028 5.7028 6.1501 6.1501 7.5592 7.5592 12.1997 12.1997 13.5234 13.5234 14.4666 14.4666 k =-0.2027 0.3925 0.9181 ( 5596 PWs) bands (ev): -38.1441 -38.1441 -38.1258 -38.1258 -11.7427 -11.7427 -11.6096 -11.6096 -0.2658 -0.2658 0.7545 0.7545 1.7789 1.7789 2.1991 2.1991 2.3525 2.3525 3.4999 3.4999 5.2658 5.2658 5.3436 5.3436 5.7095 5.7095 6.1535 6.1535 7.5592 7.5592 12.1152 12.1152 13.5412 13.5412 14.4342 14.4342 k =-0.1968 0.3811 0.9277 ( 5598 PWs) bands (ev): -38.1439 -38.1439 -38.1259 -38.1259 -11.7442 -11.7442 -11.6106 -11.6106 -0.2555 -0.2555 0.7644 0.7644 1.7629 1.7629 2.2039 2.2039 2.3416 2.3416 3.5037 3.5037 5.2675 5.2675 5.3467 5.3467 5.7171 5.7171 6.1572 6.1572 7.5592 7.5592 12.0261 12.0261 13.5634 13.5634 14.4006 14.4006 k =-0.1909 0.3696 0.9373 ( 5596 PWs) bands (ev): -38.1437 -38.1437 -38.1261 -38.1261 -11.7458 -11.7458 -11.6116 -11.6116 -0.2446 -0.2446 0.7750 0.7750 1.7471 1.7471 2.2077 2.2077 2.3300 2.3300 3.5075 3.5075 5.2681 5.2681 5.3509 5.3509 5.7256 5.7256 6.1611 6.1611 7.5592 7.5592 11.9333 11.9333 13.5896 13.5896 14.3660 14.3660 k =-0.1850 0.3581 0.9469 ( 5598 PWs) bands (ev): -38.1434 -38.1434 -38.1262 -38.1262 -11.7474 -11.7474 -11.6126 -11.6126 -0.2331 -0.2331 0.7863 0.7863 1.7317 1.7317 2.2105 2.2105 2.3178 2.3178 3.5113 3.5113 5.2675 5.2675 5.3562 5.3562 5.7351 5.7351 6.1652 6.1652 7.5593 7.5593 11.8374 11.8374 13.6198 13.6198 14.3307 14.3307 k =-0.1791 0.3467 0.9564 ( 5596 PWs) bands (ev): -38.1431 -38.1431 -38.1263 -38.1263 -11.7491 -11.7491 -11.6137 -11.6137 -0.2211 -0.2211 0.7983 0.7983 1.7167 1.7167 2.2122 2.2122 2.3049 2.3049 3.5150 3.5150 5.2660 5.2660 5.3624 5.3624 5.7457 5.7457 6.1697 6.1697 7.5594 7.5594 11.7392 11.7392 13.6538 13.6538 14.2949 14.2949 k =-0.1732 0.3352 0.9660 ( 5592 PWs) bands (ev): -38.1429 -38.1429 -38.1265 -38.1265 -11.7509 -11.7509 -11.6148 -11.6148 -0.2086 -0.2086 0.8109 0.8109 1.7021 1.7021 2.2128 2.2128 2.2915 2.2915 3.5186 3.5186 5.2637 5.2637 5.3691 5.3691 5.7573 5.7573 6.1743 6.1743 7.5595 7.5595 11.6394 11.6394 13.6913 13.6913 14.2590 14.2590 k =-0.1672 0.3238 0.9756 ( 5588 PWs) bands (ev): -38.1426 -38.1426 -38.1267 -38.1267 -11.7527 -11.7527 -11.6159 -11.6159 -0.1956 -0.1956 0.8241 0.8241 1.6882 1.6882 2.2124 2.2124 2.2775 2.2775 3.5221 3.5221 5.2607 5.2607 5.3762 5.3762 5.7700 5.7700 6.1792 6.1792 7.5598 7.5598 11.5386 11.5386 13.7321 13.7321 14.2232 14.2232 k =-0.1613 0.3123 0.9851 ( 5587 PWs) bands (ev): -38.1423 -38.1423 -38.1268 -38.1268 -11.7546 -11.7546 -11.6170 -11.6170 -0.1822 -0.1822 0.8379 0.8379 1.6748 1.6748 2.2108 2.2108 2.2629 2.2629 3.5254 3.5254 5.2573 5.2573 5.3834 5.3834 5.7838 5.7838 6.1843 6.1843 7.5601 7.5601 11.4373 11.4373 13.7762 13.7762 14.1876 14.1876 k =-0.1554 0.3009 0.9947 ( 5588 PWs) bands (ev): -38.1419 -38.1419 -38.1270 -38.1270 -11.7566 -11.7566 -11.6180 -11.6180 -0.1685 -0.1685 0.8522 0.8522 1.6621 1.6621 2.2081 2.2081 2.2479 2.2479 3.5284 3.5284 5.2535 5.2535 5.3906 5.3906 5.7988 5.7988 6.1896 6.1896 7.5605 7.5605 11.3360 11.3360 13.8232 13.8232 14.1526 14.1526 k =-0.1495 0.2894 1.0043 ( 5586 PWs) bands (ev): -38.1416 -38.1416 -38.1272 -38.1272 -11.7585 -11.7585 -11.6191 -11.6191 -0.1545 -0.1545 0.8671 0.8671 1.6501 1.6501 2.2044 2.2044 2.2324 2.2324 3.5312 3.5312 5.2496 5.2496 5.3977 5.3977 5.8148 5.8148 6.1951 6.1951 7.5610 7.5610 11.2352 11.2352 13.8732 13.8732 14.1182 14.1182 k =-0.1436 0.2780 1.0138 ( 5580 PWs) bands (ev): -38.1413 -38.1413 -38.1274 -38.1274 -11.7605 -11.7605 -11.6202 -11.6202 -0.1404 -0.1404 0.8824 0.8824 1.6389 1.6389 2.1994 2.1994 2.2166 2.2166 3.5337 3.5337 5.2455 5.2455 5.4045 5.4045 5.8318 5.8318 6.2008 6.2008 7.5616 7.5616 11.1351 11.1351 13.9258 13.9258 14.0846 14.0846 k =-0.1377 0.2665 1.0234 ( 5574 PWs) bands (ev): -38.1409 -38.1409 -38.1277 -38.1277 -11.7625 -11.7625 -11.6212 -11.6212 -0.1261 -0.1261 0.8982 0.8982 1.6284 1.6284 2.1929 2.1929 2.2010 2.2010 3.5358 3.5358 5.2414 5.2414 5.4109 5.4109 5.8497 5.8497 6.2066 6.2066 7.5623 7.5623 11.0364 11.0364 13.9809 13.9809 14.0521 14.0521 k =-0.1318 0.2551 1.0330 ( 5570 PWs) bands (ev): -38.1406 -38.1406 -38.1279 -38.1279 -11.7645 -11.7645 -11.6221 -11.6221 -0.1117 -0.1117 0.9145 0.9145 1.6188 1.6188 2.1810 2.1810 2.1894 2.1894 3.5377 3.5377 5.2372 5.2372 5.4170 5.4170 5.8684 5.8684 6.2126 6.2126 7.5632 7.5632 10.9392 10.9392 14.0196 14.0196 14.0395 14.0395 k =-0.1258 0.2436 1.0425 ( 5576 PWs) bands (ev): -38.1402 -38.1402 -38.1281 -38.1281 -11.7666 -11.7666 -11.6231 -11.6231 -0.0974 -0.0974 0.9311 0.9311 1.6101 1.6101 2.1644 2.1644 2.1812 2.1812 3.5392 3.5392 5.2332 5.2332 5.4227 5.4227 5.8878 5.8878 6.2187 6.2187 7.5642 7.5642 10.8440 10.8440 13.9901 13.9901 14.0986 14.0986 k =-0.1199 0.2322 1.0521 ( 5578 PWs) bands (ev): -38.1398 -38.1398 -38.1284 -38.1284 -11.7686 -11.7686 -11.6239 -11.6239 -0.0831 -0.0831 0.9480 0.9480 1.6022 1.6022 2.1469 2.1469 2.1728 2.1728 3.5403 3.5403 5.2293 5.2293 5.4279 5.4279 5.9077 5.9077 6.2250 6.2250 7.5653 7.5653 10.7511 10.7511 13.9613 13.9613 14.1603 14.1603 k =-0.1140 0.2207 1.0617 ( 5576 PWs) bands (ev): -38.1394 -38.1394 -38.1286 -38.1286 -11.7706 -11.7706 -11.6247 -11.6247 -0.0690 -0.0690 0.9653 0.9653 1.5953 1.5953 2.1290 2.1290 2.1639 2.1639 3.5410 3.5410 5.2256 5.2256 5.4328 5.4328 5.9279 5.9279 6.2314 6.2314 7.5666 7.5666 10.6607 10.6607 13.9340 13.9340 14.2239 14.2239 k =-0.1081 0.2093 1.0713 ( 5572 PWs) bands (ev): -38.1391 -38.1391 -38.1289 -38.1289 -11.7726 -11.7726 -11.6254 -11.6254 -0.0552 -0.0552 0.9828 0.9828 1.5892 1.5892 2.1106 2.1106 2.1544 2.1544 3.5413 3.5413 5.2220 5.2220 5.4372 5.4372 5.9482 5.9482 6.2379 6.2379 7.5681 7.5681 10.5733 10.5733 13.9082 13.9082 14.2890 14.2890 k =-0.1022 0.1978 1.0808 ( 5568 PWs) bands (ev): -38.1387 -38.1387 -38.1292 -38.1292 -11.7745 -11.7745 -11.6261 -11.6261 -0.0416 -0.0416 1.0005 1.0005 1.5840 1.5840 2.0919 2.0919 2.1445 2.1445 3.5413 3.5413 5.2188 5.2188 5.4413 5.4413 5.9685 5.9685 6.2447 6.2447 7.5698 7.5698 10.4890 10.4890 13.8841 13.8841 14.3554 14.3554 k =-0.0963 0.1864 1.0904 ( 5570 PWs) bands (ev): -38.1383 -38.1383 -38.1295 -38.1295 -11.7765 -11.7765 -11.6266 -11.6266 -0.0285 -0.0285 1.0184 1.0184 1.5798 1.5798 2.0729 2.0729 2.1341 2.1341 3.5408 3.5408 5.2158 5.2158 5.4450 5.4450 5.9883 5.9883 6.2515 6.2515 7.5716 7.5716 10.4082 10.4082 13.8617 13.8617 14.4228 14.4228 k =-0.0903 0.1749 1.1000 ( 5570 PWs) bands (ev): -38.1379 -38.1379 -38.1298 -38.1298 -11.7783 -11.7783 -11.6271 -11.6271 -0.0158 -0.0158 1.0364 1.0364 1.5765 1.5765 2.0537 2.0537 2.1235 2.1235 3.5400 3.5400 5.2131 5.2131 5.4483 5.4483 6.0076 6.0076 6.2586 6.2586 7.5737 7.5737 10.3313 10.3313 13.8411 13.8411 14.4909 14.4909 k =-0.0844 0.1635 1.1095 ( 5570 PWs) bands (ev): -38.1375 -38.1375 -38.1301 -38.1301 -11.7802 -11.7802 -11.6274 -11.6274 -0.0037 -0.0037 1.0545 1.0545 1.5740 1.5740 2.0343 2.0343 2.1127 2.1127 3.5387 3.5387 5.2108 5.2108 5.4514 5.4514 6.0260 6.0260 6.2658 6.2658 7.5759 7.5759 10.2584 10.2584 13.8223 13.8223 14.5592 14.5592 k =-0.0785 0.1520 1.1191 ( 5572 PWs) bands (ev): -38.1371 -38.1371 -38.1304 -38.1304 -11.7820 -11.7820 -11.6276 -11.6276 0.0078 0.0078 1.0725 1.0725 1.5724 1.5724 2.0148 2.0148 2.1019 2.1019 3.5371 3.5371 5.2089 5.2089 5.4541 5.4541 6.0432 6.0432 6.2732 6.2732 7.5784 7.5784 10.1899 10.1899 13.8054 13.8054 14.6274 14.6274 k =-0.0726 0.1406 1.1287 ( 5570 PWs) bands (ev): -38.1367 -38.1367 -38.1307 -38.1307 -11.7837 -11.7837 -11.6278 -11.6278 0.0185 0.0185 1.0905 1.0905 1.5716 1.5716 1.9952 1.9952 2.0912 2.0912 3.5351 3.5351 5.2073 5.2073 5.4565 5.4565 6.0592 6.0592 6.2808 6.2808 7.5811 7.5811 10.1261 10.1261 13.7905 13.7905 14.6949 14.6949 k =-0.0667 0.1291 1.1382 ( 5565 PWs) bands (ev): -38.1363 -38.1363 -38.1311 -38.1311 -11.7853 -11.7853 -11.6278 -11.6278 0.0286 0.0286 1.1083 1.1083 1.5715 1.5715 1.9755 1.9755 2.0807 2.0807 3.5326 3.5326 5.2061 5.2061 5.4587 5.4587 6.0736 6.0736 6.2885 6.2885 7.5840 7.5840 10.0672 10.0672 13.7775 13.7775 14.7611 14.7611 k =-0.0667 0.1291 1.1382 ( 5565 PWs) bands (ev): -38.1363 -38.1363 -38.1311 -38.1311 -11.7853 -11.7853 -11.6278 -11.6278 0.0286 0.0286 1.1083 1.1083 1.5715 1.5715 1.9755 1.9755 2.0807 2.0807 3.5326 3.5326 5.2061 5.2061 5.4587 5.4587 6.0736 6.0736 6.2885 6.2885 7.5840 7.5840 10.0672 10.0672 13.7775 13.7775 14.7611 14.7611 k =-0.0593 0.1148 1.1382 ( 5572 PWs) bands (ev): -38.1356 -38.1356 -38.1315 -38.1315 -11.7835 -11.7835 -11.6261 -11.6261 0.0253 0.0253 1.1365 1.1365 1.5835 1.5835 1.9338 1.9338 2.0683 2.0683 3.5392 3.5392 5.1949 5.1949 5.4585 5.4585 6.0854 6.0854 6.3017 6.3017 7.5924 7.5924 10.0127 10.0127 13.7659 13.7659 14.8374 14.8374 k =-0.0519 0.1004 1.1382 ( 5569 PWs) bands (ev): -38.1349 -38.1349 -38.1319 -38.1319 -11.7819 -11.7819 -11.6246 -11.6246 0.0224 0.0224 1.1645 1.1645 1.5953 1.5953 1.8938 1.8938 2.0562 2.0562 3.5452 3.5452 5.1849 5.1849 5.4583 5.4583 6.0958 6.0958 6.3141 6.3141 7.5999 7.5999 9.9634 9.9634 13.7556 13.7556 14.9085 14.9085 k =-0.0445 0.0861 1.1382 ( 5575 PWs) bands (ev): -38.1344 -38.1344 -38.1323 -38.1323 -11.7804 -11.7804 -11.6233 -11.6233 0.0200 0.0200 1.1918 1.1918 1.6064 1.6064 1.8559 1.8559 2.0448 2.0448 3.5504 3.5504 5.1761 5.1761 5.4581 5.4581 6.1049 6.1049 6.3253 6.3253 7.6065 7.6065 9.9199 9.9199 13.7464 13.7464 14.9730 14.9730 k =-0.0371 0.0717 1.1382 ( 5570 PWs) bands (ev): -38.1339 -38.1339 -38.1325 -38.1325 -11.7793 -11.7793 -11.6222 -11.6222 0.0179 0.0179 1.2180 1.2180 1.6166 1.6166 1.8208 1.8208 2.0342 2.0342 3.5549 3.5549 5.1685 5.1685 5.4579 5.4579 6.1126 6.1126 6.3353 6.3353 7.6121 7.6121 9.8824 9.8824 13.7386 13.7386 15.0294 15.0294 k =-0.0296 0.0574 1.1382 ( 5564 PWs) bands (ev): -38.1336 -38.1336 -38.1328 -38.1328 -11.7783 -11.7783 -11.6214 -11.6214 0.0162 0.0162 1.2422 1.2422 1.6256 1.6256 1.7894 1.7894 2.0249 2.0249 3.5587 3.5587 5.1622 5.1622 5.4577 5.4577 6.1188 6.1188 6.3438 6.3438 7.6167 7.6167 9.8512 9.8512 13.7321 13.7321 15.0765 15.0765 k =-0.0222 0.0430 1.1382 ( 5562 PWs) bands (ev): -38.1333 -38.1333 -38.1330 -38.1330 -11.7775 -11.7775 -11.6207 -11.6207 0.0150 0.0150 1.2632 1.2632 1.6331 1.6331 1.7627 1.7627 2.0172 2.0172 3.5616 3.5616 5.1573 5.1573 5.4576 5.4576 6.1237 6.1237 6.3506 6.3506 7.6203 7.6203 9.8267 9.8267 13.7270 13.7270 15.1136 15.1136 k =-0.0148 0.0287 1.1382 ( 5568 PWs) bands (ev): -38.1331 -38.1331 -38.1331 -38.1331 -11.7770 -11.7770 -11.6202 -11.6202 0.0140 0.0140 1.2798 1.2798 1.6387 1.6387 1.7420 1.7420 2.0114 2.0114 3.5638 3.5638 5.1538 5.1538 5.4575 5.4575 6.1272 6.1272 6.3556 6.3556 7.6228 7.6228 9.8090 9.8090 13.7234 13.7234 15.1403 15.1403 k =-0.0074 0.0143 1.1382 ( 5562 PWs) bands (ev): -38.1332 -38.1332 -38.1329 -38.1329 -11.7767 -11.7767 -11.6199 -11.6199 0.0135 0.0135 1.2906 1.2906 1.6422 1.6422 1.7288 1.7288 2.0078 2.0078 3.5650 3.5650 5.1517 5.1517 5.4574 5.4574 6.1293 6.1293 6.3587 6.3587 7.6244 7.6244 9.7983 9.7983 13.7212 13.7212 15.1563 15.1563 k = 0.0000 0.0000 1.1382 ( 5560 PWs) bands (ev): -38.1332 -38.1332 -38.1329 -38.1329 -11.7766 -11.7766 -11.6198 -11.6198 0.0133 0.0133 1.2943 1.2943 1.6434 1.6434 1.7242 1.7242 2.0066 2.0066 3.5655 3.5655 5.1510 5.1510 5.4574 5.4574 6.1300 6.1300 6.3597 6.3597 7.6249 7.6249 9.7948 9.7948 13.7204 13.7204 15.1617 15.1617 k = 0.0000 0.0000 1.1382 ( 5560 PWs) bands (ev): -38.1332 -38.1332 -38.1329 -38.1329 -11.7766 -11.7766 -11.6198 -11.6198 0.0133 0.0133 1.2943 1.2943 1.6434 1.6434 1.7242 1.7242 2.0066 2.0066 3.5655 3.5655 5.1510 5.1510 5.4574 5.4574 6.1300 6.1300 6.3597 6.3597 7.6249 7.6249 9.7948 9.7948 13.7204 13.7204 15.1617 15.1617 k = 0.0139 0.0072 1.1382 ( 5566 PWs) bands (ev): -38.1332 -38.1332 -38.1329 -38.1329 -11.7766 -11.7766 -11.6198 -11.6198 0.0133 0.0133 1.2941 1.2941 1.6434 1.6434 1.7242 1.7242 2.0068 2.0068 3.5653 3.5653 5.1511 5.1511 5.4574 5.4574 6.1302 6.1302 6.3595 6.3595 7.6238 7.6238 9.7972 9.7972 13.7160 13.7160 15.1619 15.1619 k = 0.0278 0.0143 1.1382 ( 5568 PWs) bands (ev): -38.1332 -38.1332 -38.1329 -38.1329 -11.7766 -11.7766 -11.6198 -11.6198 0.0134 0.0134 1.2937 1.2937 1.6434 1.6434 1.7242 1.7242 2.0076 2.0076 3.5648 3.5648 5.1516 5.1516 5.4574 5.4574 6.1308 6.1308 6.3591 6.3591 7.6204 7.6204 9.8044 9.8044 13.7029 13.7029 15.1626 15.1626 k = 0.0417 0.0215 1.1382 ( 5570 PWs) bands (ev): -38.1332 -38.1332 -38.1329 -38.1329 -11.7766 -11.7766 -11.6198 -11.6198 0.0134 0.0134 1.2930 1.2930 1.6434 1.6434 1.7243 1.7243 2.0088 2.0088 3.5640 3.5640 5.1523 5.1523 5.4573 5.4573 6.1318 6.1318 6.3583 6.3583 7.6148 7.6148 9.8161 9.8161 13.6817 13.6817 15.1637 15.1637 k = 0.0556 0.0287 1.1382 ( 5564 PWs) bands (ev): -38.1332 -38.1332 -38.1329 -38.1329 -11.7766 -11.7766 -11.6198 -11.6198 0.0135 0.0135 1.2920 1.2920 1.6433 1.6433 1.7243 1.7243 2.0104 2.0104 3.5628 3.5628 5.1533 5.1533 5.4573 5.4573 6.1333 6.1333 6.3573 6.3573 7.6074 7.6074 9.8321 9.8321 13.6532 13.6532 15.1652 15.1652 k = 0.0694 0.0359 1.1382 ( 5562 PWs) bands (ev): -38.1332 -38.1332 -38.1329 -38.1329 -11.7766 -11.7766 -11.6198 -11.6198 0.0136 0.0136 1.2907 1.2907 1.6433 1.6433 1.7244 1.7244 2.0125 2.0125 3.5614 3.5614 5.1546 5.1546 5.4573 5.4573 6.1350 6.1350 6.3560 6.3560 7.5984 7.5984 9.8519 9.8519 13.6185 13.6185 15.1670 15.1670 k = 0.0833 0.0430 1.1382 ( 5566 PWs) bands (ev): -38.1332 -38.1332 -38.1329 -38.1329 -11.7766 -11.7766 -11.6198 -11.6198 0.0137 0.0137 1.2893 1.2893 1.6432 1.6432 1.7244 1.7244 2.0148 2.0148 3.5598 3.5598 5.1560 5.1560 5.4573 5.4573 6.1371 6.1371 6.3545 6.3545 7.5880 7.5880 9.8749 9.8749 13.5787 13.5787 15.1692 15.1692 k = 0.0972 0.0502 1.1382 ( 5564 PWs) bands (ev): -38.1332 -38.1332 -38.1329 -38.1329 -11.7766 -11.7766 -11.6198 -11.6198 0.0139 0.0139 1.2878 1.2878 1.6432 1.6432 1.7245 1.7245 2.0174 2.0174 3.5580 3.5580 5.1576 5.1576 5.4573 5.4573 6.1394 6.1394 6.3528 6.3528 7.5766 7.5766 9.9004 9.9004 13.5351 13.5351 15.1716 15.1716 k = 0.1111 0.0574 1.1382 ( 5556 PWs) bands (ev): -38.1332 -38.1332 -38.1329 -38.1329 -11.7766 -11.7766 -11.6198 -11.6198 0.0140 0.0140 1.2862 1.2862 1.6431 1.6431 1.7246 1.7246 2.0202 2.0202 3.5560 3.5560 5.1593 5.1593 5.4573 5.4573 6.1420 6.1420 6.3509 6.3509 7.5647 7.5647 9.9278 9.9278 13.4893 13.4893 15.1742 15.1742 k = 0.1250 0.0646 1.1382 ( 5556 PWs) bands (ev): -38.1332 -38.1332 -38.1329 -38.1329 -11.7766 -11.7766 -11.6198 -11.6198 0.0142 0.0142 1.2845 1.2845 1.6430 1.6430 1.7247 1.7247 2.0230 2.0230 3.5541 3.5541 5.1611 5.1611 5.4573 5.4573 6.1446 6.1446 6.3490 6.3490 7.5526 7.5526 9.9562 9.9562 13.4425 13.4425 15.1769 15.1769 k = 0.1389 0.0717 1.1382 ( 5558 PWs) bands (ev): -38.1332 -38.1332 -38.1329 -38.1329 -11.7766 -11.7766 -11.6198 -11.6198 0.0143 0.0143 1.2828 1.2828 1.6430 1.6430 1.7248 1.7248 2.0258 2.0258 3.5521 3.5521 5.1629 5.1629 5.4572 5.4572 6.1473 6.1473 6.3469 6.3469 7.5406 7.5406 9.9848 9.9848 13.3962 13.3962 15.1796 15.1796 k = 0.1528 0.0789 1.1382 ( 5560 PWs) bands (ev): -38.1332 -38.1332 -38.1329 -38.1329 -11.7766 -11.7766 -11.6198 -11.6198 0.0145 0.0145 1.2812 1.2812 1.6429 1.6429 1.7248 1.7248 2.0286 2.0286 3.5501 3.5501 5.1647 5.1647 5.4572 5.4572 6.1500 6.1500 6.3449 6.3449 7.5292 7.5292 10.0127 10.0127 13.3516 13.3516 15.1822 15.1822 k = 0.1667 0.0861 1.1382 ( 5556 PWs) bands (ev): -38.1332 -38.1332 -38.1329 -38.1329 -11.7766 -11.7766 -11.6198 -11.6198 0.0146 0.0146 1.2797 1.2797 1.6428 1.6428 1.7249 1.7249 2.0311 2.0311 3.5483 3.5483 5.1663 5.1663 5.4572 5.4572 6.1526 6.1526 6.3430 6.3430 7.5186 7.5186 10.0392 10.0392 13.3099 13.3099 15.1846 15.1846 k = 0.1806 0.0933 1.1382 ( 5560 PWs) bands (ev): -38.1332 -38.1332 -38.1329 -38.1329 -11.7766 -11.7766 -11.6198 -11.6198 0.0147 0.0147 1.2784 1.2784 1.6428 1.6428 1.7250 1.7250 2.0334 2.0334 3.5467 3.5467 5.1678 5.1678 5.4572 5.4572 6.1549 6.1549 6.3412 6.3412 7.5091 7.5091 10.0633 10.0633 13.2725 13.2725 15.1869 15.1869 k = 0.1944 0.1004 1.1382 ( 5564 PWs) bands (ev): -38.1332 -38.1332 -38.1329 -38.1329 -11.7766 -11.7766 -11.6198 -11.6198 0.0148 0.0148 1.2772 1.2772 1.6427 1.6427 1.7250 1.7250 2.0354 2.0354 3.5452 3.5452 5.1691 5.1691 5.4571 5.4571 6.1570 6.1570 6.3396 6.3396 7.5010 7.5010 10.0843 10.0843 13.2402 13.2402 15.1888 15.1888 k = 0.2083 0.1076 1.1382 ( 5566 PWs) bands (ev): -38.1332 -38.1332 -38.1329 -38.1329 -11.7766 -11.7766 -11.6198 -11.6198 0.0149 0.0149 1.2763 1.2763 1.6427 1.6427 1.7251 1.7251 2.0371 2.0371 3.5441 3.5441 5.1701 5.1701 5.4571 5.4571 6.1587 6.1587 6.3383 6.3383 7.4945 7.4945 10.1015 10.1015 13.2141 13.2141 15.1904 15.1904 k = 0.2222 0.1148 1.1382 ( 5568 PWs) bands (ev): -38.1332 -38.1332 -38.1329 -38.1329 -11.7766 -11.7766 -11.6198 -11.6198 0.0150 0.0150 1.2756 1.2756 1.6426 1.6426 1.7251 1.7251 2.0383 2.0383 3.5432 3.5432 5.1709 5.1709 5.4571 5.4571 6.1600 6.1600 6.3373 6.3373 7.4897 7.4897 10.1142 10.1142 13.1949 13.1949 15.1915 15.1915 k = 0.2361 0.1219 1.1382 ( 5568 PWs) bands (ev): -38.1332 -38.1332 -38.1329 -38.1329 -11.7766 -11.7766 -11.6198 -11.6198 0.0150 0.0150 1.2752 1.2752 1.6426 1.6426 1.7251 1.7251 2.0390 2.0390 3.5427 3.5427 5.1714 5.1714 5.4571 5.4571 6.1607 6.1607 6.3367 6.3367 7.4868 7.4868 10.1221 10.1221 13.1832 13.1832 15.1923 15.1923 k = 0.2500 0.1291 1.1382 ( 5568 PWs) bands (ev): -38.1332 -38.1332 -38.1329 -38.1329 -11.7766 -11.7766 -11.6198 -11.6198 0.0150 0.0150 1.2750 1.2750 1.6426 1.6426 1.7251 1.7251 2.0392 2.0392 3.5425 3.5425 5.1716 5.1716 5.4571 5.4571 6.1610 6.1610 6.3365 6.3365 7.4858 7.4858 10.1247 10.1247 13.1792 13.1792 15.1925 15.1925 k = 0.2500 0.1291 1.1382 ( 5568 PWs) bands (ev): -38.1332 -38.1332 -38.1329 -38.1329 -11.7766 -11.7766 -11.6198 -11.6198 0.0150 0.0150 1.2750 1.2750 1.6426 1.6426 1.7251 1.7251 2.0392 2.0392 3.5425 3.5425 5.1716 5.1716 5.4571 5.4571 6.1610 6.1610 6.3365 6.3365 7.4858 7.4858 10.1247 10.1247 13.1792 13.1792 15.1925 15.1925 k = 0.2440 0.1406 1.1286 ( 5566 PWs) bands (ev): -38.1332 -38.1332 -38.1329 -38.1329 -11.7765 -11.7765 -11.6197 -11.6197 0.0145 0.0145 1.2735 1.2735 1.6433 1.6433 1.7255 1.7255 2.0403 2.0403 3.5423 3.5423 5.1717 5.1717 5.4570 5.4570 6.1596 6.1596 6.3362 6.3362 7.4865 7.4865 10.1276 10.1276 13.1797 13.1797 15.1901 15.1901 k = 0.2381 0.1522 1.1190 ( 5566 PWs) bands (ev): -38.1332 -38.1332 -38.1329 -38.1329 -11.7764 -11.7764 -11.6195 -11.6195 0.0131 0.0131 1.2692 1.2692 1.6452 1.6452 1.7265 1.7265 2.0433 2.0433 3.5418 3.5418 5.1723 5.1723 5.4568 5.4568 6.1554 6.1554 6.3354 6.3354 7.4888 7.4888 10.1362 10.1362 13.1812 13.1812 15.1829 15.1829 k = 0.2321 0.1637 1.1093 ( 5564 PWs) bands (ev): -38.1332 -38.1332 -38.1330 -38.1330 -11.7761 -11.7761 -11.6192 -11.6192 0.0107 0.0107 1.2621 1.2621 1.6483 1.6483 1.7283 1.7283 2.0484 2.0484 3.5408 3.5408 5.1732 5.1732 5.4564 5.4564 6.1485 6.1485 6.3341 6.3341 7.4925 7.4925 10.1506 10.1506 13.1836 13.1836 15.1710 15.1710 k = 0.2262 0.1752 1.0997 ( 5564 PWs) bands (ev): -38.1332 -38.1332 -38.1330 -38.1330 -11.7758 -11.7758 -11.6187 -11.6187 0.0073 0.0073 1.2525 1.2525 1.6526 1.6526 1.7307 1.7307 2.0553 2.0553 3.5394 3.5394 5.1745 5.1745 5.4558 5.4558 6.1389 6.1389 6.3323 6.3323 7.4976 7.4976 10.1707 10.1707 13.1871 13.1871 15.1547 15.1547 k = 0.2202 0.1867 1.0901 ( 5560 PWs) bands (ev): -38.1332 -38.1332 -38.1330 -38.1330 -11.7754 -11.7754 -11.6182 -11.6182 0.0030 0.0030 1.2406 1.2406 1.6578 1.6578 1.7338 1.7338 2.0639 2.0639 3.5377 3.5377 5.1762 5.1762 5.4550 5.4550 6.1269 6.1269 6.3302 6.3302 7.5038 7.5038 10.1963 10.1963 13.1914 13.1914 15.1344 15.1344 k = 0.2143 0.1983 1.0805 ( 5566 PWs) bands (ev): -38.1333 -38.1333 -38.1330 -38.1330 -11.7748 -11.7748 -11.6174 -11.6174 -0.0021 -0.0021 1.2267 1.2267 1.6639 1.6639 1.7375 1.7375 2.0739 2.0739 3.5356 3.5356 5.1782 5.1782 5.4541 5.4541 6.1125 6.1125 6.3276 6.3276 7.5111 7.5111 10.2275 10.2275 13.1966 13.1966 15.1103 15.1103 k = 0.2083 0.2098 1.0708 ( 5560 PWs) bands (ev): -38.1333 -38.1333 -38.1330 -38.1330 -11.7742 -11.7742 -11.6166 -11.6166 -0.0081 -0.0081 1.2112 1.2112 1.6708 1.6708 1.7419 1.7419 2.0853 2.0853 3.5332 3.5332 5.1805 5.1805 5.4530 5.4530 6.0961 6.0961 6.3248 6.3248 7.5192 7.5192 10.2641 10.2641 13.2025 13.2025 15.0830 15.0830 k = 0.2024 0.2213 1.0612 ( 5562 PWs) bands (ev): -38.1333 -38.1333 -38.1331 -38.1331 -11.7735 -11.7735 -11.6157 -11.6157 -0.0149 -0.0149 1.1943 1.1943 1.6784 1.6784 1.7468 1.7468 2.0977 2.0977 3.5303 3.5303 5.1832 5.1832 5.4516 5.4516 6.0778 6.0778 6.3217 6.3217 7.5281 7.5281 10.3059 10.3059 13.2092 13.2092 15.0529 15.0529 k = 0.1964 0.2328 1.0516 ( 5560 PWs) bands (ev): -38.1334 -38.1334 -38.1331 -38.1331 -11.7728 -11.7728 -11.6146 -11.6146 -0.0225 -0.0225 1.1762 1.1762 1.6866 1.6866 1.7523 1.7523 2.1109 2.1109 3.5271 3.5271 5.1861 5.1861 5.4501 5.4501 6.0579 6.0579 6.3184 6.3184 7.5375 7.5375 10.3529 10.3529 13.2166 13.2166 15.0205 15.0205 k = 0.1905 0.2444 1.0419 ( 5560 PWs) bands (ev): -38.1334 -38.1334 -38.1332 -38.1332 -11.7719 -11.7719 -11.6135 -11.6135 -0.0307 -0.0307 1.1573 1.1573 1.6954 1.6954 1.7583 1.7583 2.1247 2.1247 3.5236 3.5236 5.1894 5.1894 5.4483 5.4483 6.0367 6.0367 6.3149 6.3149 7.5472 7.5472 10.4048 10.4048 13.2244 13.2244 14.9864 14.9864 k = 0.1845 0.2559 1.0323 ( 5562 PWs) bands (ev): -38.1334 -38.1334 -38.1332 -38.1332 -11.7710 -11.7710 -11.6122 -11.6122 -0.0396 -0.0396 1.1377 1.1377 1.7047 1.7047 1.7648 1.7648 2.1390 2.1390 3.5197 3.5197 5.1929 5.1929 5.4463 5.4463 6.0145 6.0145 6.3112 6.3112 7.5572 7.5572 10.4614 10.4614 13.2327 13.2327 14.9511 14.9511 k = 0.1786 0.2674 1.0227 ( 5566 PWs) bands (ev): -38.1335 -38.1335 -38.1333 -38.1333 -11.7700 -11.7700 -11.6109 -11.6109 -0.0490 -0.0490 1.1175 1.1175 1.7146 1.7146 1.7718 1.7718 2.1534 2.1534 3.5154 3.5154 5.1966 5.1966 5.4440 5.4440 5.9916 5.9916 6.3073 6.3073 7.5672 7.5672 10.5226 10.5226 13.2413 13.2413 14.9150 14.9150 k = 0.1726 0.2789 1.0130 ( 5562 PWs) bands (ev): -38.1335 -38.1335 -38.1333 -38.1333 -11.7690 -11.7690 -11.6095 -11.6095 -0.0589 -0.0589 1.0971 1.0971 1.7251 1.7251 1.7791 1.7791 2.1678 2.1678 3.5109 3.5109 5.2006 5.2006 5.4414 5.4414 5.9681 5.9681 6.3033 6.3033 7.5773 7.5773 10.5881 10.5881 13.2500 13.2500 14.8789 14.8789 k = 0.1667 0.2905 1.0034 ( 5564 PWs) bands (ev): -38.1336 -38.1336 -38.1334 -38.1334 -11.7679 -11.7679 -11.6080 -11.6080 -0.0693 -0.0693 1.0765 1.0765 1.7361 1.7361 1.7868 1.7868 2.1820 2.1820 3.5060 3.5060 5.2048 5.2048 5.4385 5.4385 5.9444 5.9444 6.2992 6.2992 7.5872 7.5872 10.6578 10.6578 13.2587 13.2587 14.8430 14.8430 k = 0.1607 0.3020 0.9938 ( 5560 PWs) bands (ev): -38.1337 -38.1337 -38.1334 -38.1334 -11.7667 -11.7667 -11.6064 -11.6064 -0.0800 -0.0800 1.0558 1.0558 1.7476 1.7476 1.7948 1.7948 2.1959 2.1959 3.5009 3.5009 5.2091 5.2091 5.4353 5.4353 5.9206 5.9206 6.2949 6.2949 7.5968 7.5968 10.7313 10.7313 13.2673 13.2673 14.8080 14.8080 k = 0.1548 0.3135 0.9842 ( 5562 PWs) bands (ev): -38.1337 -38.1337 -38.1335 -38.1335 -11.7655 -11.7655 -11.6048 -11.6048 -0.0911 -0.0911 1.0352 1.0352 1.7596 1.7596 1.8032 1.8032 2.2093 2.2093 3.4954 3.4954 5.2135 5.2135 5.4317 5.4317 5.8971 5.8971 6.2906 6.2906 7.6063 7.6063 10.8084 10.8084 13.2755 13.2755 14.7742 14.7742 k = 0.1488 0.3250 0.9745 ( 5566 PWs) bands (ev): -38.1338 -38.1338 -38.1335 -38.1335 -11.7643 -11.7643 -11.6031 -11.6031 -0.1024 -0.1024 1.0148 1.0148 1.7721 1.7721 1.8117 1.8117 2.2221 2.2221 3.4898 3.4898 5.2180 5.2180 5.4278 5.4278 5.8740 5.8740 6.2862 6.2862 7.6153 7.6153 10.8888 10.8888 13.2832 13.2832 14.7421 14.7421 k = 0.1429 0.3366 0.9649 ( 5564 PWs) bands (ev): -38.1338 -38.1338 -38.1336 -38.1336 -11.7630 -11.7630 -11.6014 -11.6014 -0.1138 -0.1138 0.9947 0.9947 1.7852 1.7852 1.8204 1.8204 2.2342 2.2342 3.4839 3.4839 5.2226 5.2226 5.4235 5.4235 5.8514 5.8514 6.2818 6.2818 7.6240 7.6240 10.9722 10.9722 13.2903 13.2903 14.7121 14.7121 k = 0.1369 0.3481 0.9553 ( 5568 PWs) bands (ev): -38.1339 -38.1339 -38.1337 -38.1337 -11.7618 -11.7618 -11.5997 -11.5997 -0.1253 -0.1253 0.9749 0.9749 1.7987 1.7987 1.8293 1.8293 2.2454 2.2454 3.4778 3.4778 5.2272 5.2272 5.4188 5.4188 5.8297 5.8297 6.2774 6.2774 7.6324 7.6324 11.0585 11.0585 13.2964 13.2964 14.6846 14.6846 k = 0.1310 0.3596 0.9456 ( 5576 PWs) bands (ev): -38.1340 -38.1340 -38.1337 -38.1337 -11.7605 -11.7605 -11.5979 -11.5979 -0.1369 -0.1369 0.9556 0.9556 1.8127 1.8127 1.8383 1.8383 2.2556 2.2556 3.4715 3.4715 5.2318 5.2318 5.4137 5.4137 5.8089 5.8089 6.2730 6.2730 7.6403 7.6403 11.1471 11.1471 13.3016 13.3016 14.6597 14.6597 k = 0.1250 0.3711 0.9360 ( 5580 PWs) bands (ev): -38.1340 -38.1340 -38.1338 -38.1338 -11.7592 -11.7592 -11.5962 -11.5962 -0.1485 -0.1485 0.9367 0.9367 1.8272 1.8272 1.8473 1.8473 2.2649 2.2649 3.4651 3.4651 5.2362 5.2362 5.4082 5.4082 5.7891 5.7891 6.2686 6.2686 7.6478 7.6478 11.2378 11.2378 13.3056 13.3056 14.6378 14.6378 k = 0.1190 0.3827 0.9264 ( 5580 PWs) bands (ev): -38.1341 -38.1341 -38.1339 -38.1339 -11.7579 -11.7579 -11.5944 -11.5944 -0.1599 -0.1599 0.9184 0.9184 1.8420 1.8420 1.8564 1.8564 2.2730 2.2730 3.4585 3.4585 5.2406 5.2406 5.4023 5.4023 5.7704 5.7704 6.2642 6.2642 7.6548 7.6548 11.3303 11.3303 13.3084 13.3084 14.6190 14.6190 k = 0.1131 0.3942 0.9167 ( 5582 PWs) bands (ev): -38.1342 -38.1342 -38.1339 -38.1339 -11.7566 -11.7566 -11.5926 -11.5926 -0.1712 -0.1712 0.9008 0.9008 1.8572 1.8572 1.8656 1.8656 2.2800 2.2800 3.4519 3.4519 5.2447 5.2447 5.3962 5.3962 5.7530 5.7530 6.2599 6.2599 7.6614 7.6614 11.4242 11.4242 13.3099 13.3099 14.6035 14.6035 k = 0.1071 0.4057 0.9071 ( 5582 PWs) bands (ev): -38.1342 -38.1342 -38.1340 -38.1340 -11.7553 -11.7553 -11.5909 -11.5909 -0.1823 -0.1823 0.8838 0.8838 1.8717 1.8717 1.8757 1.8757 2.2857 2.2857 3.4453 3.4453 5.2486 5.2486 5.3899 5.3899 5.7369 5.7369 6.2558 6.2558 7.6676 7.6676 11.5190 11.5190 13.3101 13.3101 14.5911 14.5911 k = 0.1012 0.4172 0.8975 ( 5582 PWs) bands (ev): -38.1343 -38.1343 -38.1341 -38.1341 -11.7540 -11.7540 -11.5892 -11.5892 -0.1931 -0.1931 0.8675 0.8675 1.8822 1.8822 1.8901 1.8901 2.2903 2.2903 3.4386 3.4386 5.2522 5.2522 5.3834 5.3834 5.7221 5.7221 6.2517 6.2517 7.6734 7.6734 11.6143 11.6143 13.3090 13.3090 14.5820 14.5820 k = 0.0952 0.4288 0.8878 ( 5586 PWs) bands (ev): -38.1344 -38.1344 -38.1341 -38.1341 -11.7528 -11.7528 -11.5875 -11.5875 -0.2036 -0.2036 0.8519 0.8519 1.8910 1.8910 1.9064 1.9064 2.2935 2.2935 3.4320 3.4320 5.2553 5.2553 5.3769 5.3769 5.7086 5.7086 6.2478 6.2478 7.6787 7.6787 11.7098 11.7098 13.3066 13.3066 14.5760 14.5760 k = 0.0893 0.4403 0.8782 ( 5588 PWs) bands (ev): -38.1344 -38.1344 -38.1342 -38.1342 -11.7516 -11.7516 -11.5859 -11.5859 -0.2137 -0.2137 0.8371 0.8371 1.8995 1.8995 1.9231 1.9231 2.2955 2.2955 3.4255 3.4255 5.2578 5.2578 5.3706 5.3706 5.6964 5.6964 6.2440 6.2440 7.6837 7.6837 11.8048 11.8048 13.3032 13.3032 14.5729 14.5729 k = 0.0833 0.4518 0.8686 ( 5584 PWs) bands (ev): -38.1345 -38.1345 -38.1342 -38.1342 -11.7505 -11.7505 -11.5843 -11.5843 -0.2234 -0.2234 0.8232 0.8232 1.9076 1.9076 1.9401 1.9401 2.2961 2.2961 3.4191 3.4191 5.2598 5.2598 5.3647 5.3647 5.6854 5.6854 6.2405 6.2405 7.6883 7.6883 11.8988 11.8988 13.2987 13.2987 14.5723 14.5723 k = 0.0774 0.4633 0.8590 ( 5586 PWs) bands (ev): -38.1345 -38.1345 -38.1343 -38.1343 -11.7494 -11.7494 -11.5828 -11.5828 -0.2327 -0.2327 0.8101 0.8101 1.9154 1.9154 1.9574 1.9574 2.2955 2.2955 3.4129 3.4129 5.2610 5.2610 5.3593 5.3593 5.6756 5.6756 6.2371 6.2371 7.6924 7.6924 11.9913 11.9913 13.2935 13.2935 14.5742 14.5742 k = 0.0714 0.4749 0.8493 ( 5580 PWs) bands (ev): -38.1346 -38.1346 -38.1343 -38.1343 -11.7483 -11.7483 -11.5814 -11.5814 -0.2414 -0.2414 0.7979 0.7979 1.9228 1.9228 1.9748 1.9748 2.2935 2.2935 3.4069 3.4069 5.2614 5.2614 5.3545 5.3545 5.6669 5.6669 6.2339 6.2339 7.6962 7.6962 12.0815 12.0815 13.2876 13.2876 14.5780 14.5780 k = 0.0655 0.4864 0.8397 ( 5578 PWs) bands (ev): -38.1346 -38.1346 -38.1344 -38.1344 -11.7473 -11.7473 -11.5800 -11.5800 -0.2495 -0.2495 0.7865 0.7865 1.9298 1.9298 1.9924 1.9924 2.2903 2.2903 3.4012 3.4012 5.2610 5.2610 5.3506 5.3506 5.6592 5.6592 6.2309 6.2309 7.6997 7.6997 12.1690 12.1690 13.2813 13.2813 14.5834 14.5834 k = 0.0595 0.4979 0.8301 ( 5582 PWs) bands (ev): -38.1347 -38.1347 -38.1344 -38.1344 -11.7464 -11.7464 -11.5788 -11.5788 -0.2571 -0.2571 0.7761 0.7761 1.9363 1.9363 2.0100 2.0100 2.2859 2.2859 3.3958 3.3958 5.2597 5.2597 5.3475 5.3475 5.6526 5.6526 6.2281 6.2281 7.7028 7.7028 12.2528 12.2528 13.2748 13.2748 14.5901 14.5901 k = 0.0536 0.5094 0.8204 ( 5586 PWs) bands (ev): -38.1347 -38.1347 -38.1345 -38.1345 -11.7456 -11.7456 -11.5776 -11.5776 -0.2641 -0.2641 0.7666 0.7666 1.9424 1.9424 2.0277 2.0277 2.2802 2.2802 3.3907 3.3907 5.2578 5.2578 5.3453 5.3453 5.6467 5.6467 6.2256 6.2256 7.7056 7.7056 12.3323 12.3323 13.2683 13.2683 14.5976 14.5976 k = 0.0476 0.5210 0.8108 ( 5588 PWs) bands (ev): -38.1348 -38.1348 -38.1345 -38.1345 -11.7448 -11.7448 -11.5765 -11.5765 -0.2704 -0.2704 0.7581 0.7581 1.9479 1.9479 2.0452 2.0452 2.2734 2.2734 3.3861 3.3861 5.2554 5.2554 5.3438 5.3438 5.6418 5.6418 6.2234 6.2234 7.7080 7.7080 12.4066 12.4066 13.2619 13.2619 14.6055 14.6055 k = 0.0417 0.5325 0.8012 ( 5586 PWs) bands (ev): -38.1348 -38.1348 -38.1345 -38.1345 -11.7441 -11.7441 -11.5756 -11.5756 -0.2760 -0.2760 0.7506 0.7506 1.9529 1.9529 2.0627 2.0627 2.2655 2.2655 3.3819 3.3819 5.2527 5.2527 5.3429 5.3429 5.6375 5.6375 6.2213 6.2213 7.7102 7.7102 12.4749 12.4749 13.2559 13.2559 14.6135 14.6135 k = 0.0357 0.5440 0.7915 ( 5580 PWs) bands (ev): -38.1348 -38.1348 -38.1346 -38.1346 -11.7435 -11.7435 -11.5748 -11.5748 -0.2809 -0.2809 0.7440 0.7440 1.9573 1.9573 2.0799 2.0799 2.2565 2.2565 3.3781 3.3781 5.2498 5.2498 5.3424 5.3424 5.6339 5.6339 6.2196 6.2196 7.7120 7.7120 12.5363 12.5363 13.2504 13.2504 14.6213 14.6213 k = 0.0298 0.5555 0.7819 ( 5576 PWs) bands (ev): -38.1349 -38.1349 -38.1346 -38.1346 -11.7430 -11.7430 -11.5741 -11.5741 -0.2851 -0.2851 0.7384 0.7384 1.9611 1.9611 2.0968 2.0968 2.2467 2.2467 3.3749 3.3749 5.2471 5.2471 5.3423 5.3423 5.6310 5.6310 6.2181 6.2181 7.7135 7.7135 12.5900 12.5900 13.2455 13.2455 14.6284 14.6284 k = 0.0238 0.5671 0.7723 ( 5578 PWs) bands (ev): -38.1349 -38.1349 -38.1346 -38.1346 -11.7426 -11.7426 -11.5735 -11.5735 -0.2886 -0.2886 0.7338 0.7338 1.9642 1.9642 2.1133 2.1133 2.2360 2.2360 3.3722 3.3722 5.2447 5.2447 5.3423 5.3423 5.6287 5.6287 6.2169 6.2169 7.7148 7.7148 12.6352 12.6352 13.2413 13.2413 14.6347 14.6347 k = 0.0179 0.5786 0.7627 ( 5580 PWs) bands (ev): -38.1349 -38.1349 -38.1346 -38.1346 -11.7422 -11.7422 -11.5730 -11.5730 -0.2913 -0.2913 0.7303 0.7303 1.9667 1.9667 2.1290 2.1290 2.2247 2.2247 3.3701 3.3701 5.2427 5.2427 5.3424 5.3424 5.6269 5.6269 6.2159 6.2159 7.7158 7.7158 12.6712 12.6712 13.2380 13.2380 14.6398 14.6398 k = 0.0119 0.5901 0.7530 ( 5582 PWs) bands (ev): -38.1349 -38.1349 -38.1346 -38.1346 -11.7420 -11.7420 -11.5727 -11.5727 -0.2932 -0.2932 0.7277 0.7277 1.9684 1.9684 2.1436 2.1436 2.2133 2.2133 3.3686 3.3686 5.2412 5.2412 5.3426 5.3426 5.6256 5.6256 6.2152 6.2152 7.7165 7.7165 12.6974 12.6974 13.2356 13.2356 14.6436 14.6436 k = 0.0060 0.6016 0.7434 ( 5578 PWs) bands (ev): -38.1349 -38.1349 -38.1346 -38.1346 -11.7418 -11.7418 -11.5725 -11.5725 -0.2944 -0.2944 0.7262 0.7262 1.9695 1.9695 2.1558 2.1558 2.2031 2.2031 3.3677 3.3677 5.2402 5.2402 5.3427 5.3427 5.6249 5.6249 6.2148 6.2148 7.7169 7.7169 12.7133 12.7133 13.2341 13.2341 14.6459 14.6459 k = 0.0000 0.6132 0.7338 ( 5586 PWs) bands (ev): -38.1349 -38.1349 -38.1347 -38.1347 -11.7418 -11.7418 -11.5724 -11.5724 -0.2948 -0.2948 0.7257 0.7257 1.9699 1.9699 2.1613 2.1613 2.1982 2.1982 3.3674 3.3674 5.2399 5.2399 5.3427 5.3427 5.6247 5.6247 6.2147 6.2147 7.7170 7.7170 12.7186 12.7186 13.2336 13.2336 14.6467 14.6467 k = 0.0000 0.6132 0.7338 ( 5586 PWs) bands (ev): -38.1349 -38.1349 -38.1347 -38.1347 -11.7418 -11.7418 -11.5724 -11.5724 -0.2948 -0.2948 0.7257 0.7257 1.9699 1.9699 2.1613 2.1613 2.1982 2.1982 3.3674 3.3674 5.2399 5.2399 5.3427 5.3427 5.6247 5.6247 6.2147 6.2147 7.7170 7.7170 12.7186 12.7186 13.2336 13.2336 14.6467 14.6467 k = 0.0144 0.6175 0.7301 ( 5581 PWs) bands (ev): -38.1353 -38.1353 -38.1342 -38.1342 -11.7417 -11.7417 -11.5725 -11.5725 -0.2951 -0.2951 0.7257 0.7257 1.9691 1.9691 2.1628 2.1628 2.1979 2.1979 3.3679 3.3679 5.2399 5.2399 5.3427 5.3427 5.6249 5.6249 6.2143 6.2143 7.7163 7.7163 12.7186 12.7186 13.2348 13.2348 14.6471 14.6471 k = 0.0288 0.6219 0.7264 ( 5579 PWs) bands (ev): -38.1359 -38.1359 -38.1337 -38.1337 -11.7416 -11.7416 -11.5729 -11.5729 -0.2961 -0.2961 0.7258 0.7258 1.9671 1.9671 2.1672 2.1672 2.1969 2.1969 3.3695 3.3695 5.2399 5.2399 5.3426 5.3426 5.6256 5.6256 6.2132 6.2132 7.7142 7.7142 12.7184 12.7184 13.2382 13.2382 14.6481 14.6481 k = 0.0432 0.6263 0.7228 ( 5579 PWs) bands (ev): -38.1364 -38.1364 -38.1332 -38.1332 -11.7413 -11.7413 -11.5735 -11.5735 -0.2976 -0.2976 0.7259 0.7259 1.9639 1.9639 2.1743 2.1743 2.1952 2.1952 3.3721 3.3721 5.2398 5.2398 5.3426 5.3426 5.6267 5.6267 6.2114 6.2114 7.7106 7.7106 12.7182 12.7182 13.2440 13.2440 14.6498 14.6498 k = 0.0576 0.6307 0.7191 ( 5573 PWs) bands (ev): -38.1369 -38.1369 -38.1327 -38.1327 -11.7409 -11.7409 -11.5743 -11.5743 -0.2997 -0.2997 0.7260 0.7260 1.9598 1.9598 2.1836 2.1836 2.1930 2.1930 3.3758 3.3758 5.2397 5.2397 5.3424 5.3424 5.6282 5.6282 6.2089 6.2089 7.7058 7.7058 12.7178 12.7178 13.2519 13.2519 14.6521 14.6521 k = 0.0720 0.6351 0.7155 ( 5576 PWs) bands (ev): -38.1375 -38.1375 -38.1322 -38.1322 -11.7405 -11.7405 -11.5753 -11.5753 -0.3023 -0.3023 0.7261 0.7261 1.9553 1.9553 2.1891 2.1891 2.1960 2.1960 3.3803 3.3803 5.2396 5.2396 5.3423 5.3423 5.6302 5.6302 6.2058 6.2058 7.6997 7.6997 12.7173 12.7173 13.2618 13.2618 14.6550 14.6550 k = 0.0864 0.6394 0.7118 ( 5571 PWs) bands (ev): -38.1380 -38.1380 -38.1316 -38.1316 -11.7399 -11.7399 -11.5765 -11.5765 -0.3053 -0.3053 0.7261 0.7261 1.9505 1.9505 2.1860 2.1860 2.2087 2.2087 3.3856 3.3856 5.2394 5.2394 5.3421 5.3421 5.6325 5.6325 6.2020 6.2020 7.6924 7.6924 12.7167 12.7167 13.2736 13.2736 14.6583 14.6583 k = 0.1008 0.6438 0.7081 ( 5573 PWs) bands (ev): -38.1386 -38.1386 -38.1311 -38.1311 -11.7393 -11.7393 -11.5780 -11.5780 -0.3086 -0.3086 0.7259 0.7259 1.9458 1.9458 2.1820 2.1820 2.2231 2.2231 3.3917 3.3917 5.2391 5.2391 5.3420 5.3420 5.6351 5.6351 6.1977 6.1977 7.6841 7.6841 12.7159 12.7159 13.2872 13.2872 14.6620 14.6620 k = 0.1152 0.6482 0.7045 ( 5578 PWs) bands (ev): -38.1391 -38.1391 -38.1306 -38.1306 -11.7386 -11.7386 -11.5796 -11.5796 -0.3120 -0.3120 0.7255 0.7255 1.9412 1.9412 2.1776 2.1776 2.2386 2.2386 3.3985 3.3985 5.2388 5.2388 5.3418 5.3418 5.6380 5.6380 6.1930 6.1930 7.6749 7.6749 12.7149 12.7149 13.3024 13.3024 14.6659 14.6659 k = 0.1296 0.6526 0.7008 ( 5578 PWs) bands (ev): -38.1397 -38.1397 -38.1301 -38.1301 -11.7379 -11.7379 -11.5814 -11.5814 -0.3156 -0.3156 0.7248 0.7248 1.9370 1.9370 2.1728 2.1728 2.2549 2.2549 3.4057 3.4057 5.2384 5.2384 5.3417 5.3417 5.6411 5.6411 6.1878 6.1878 7.6649 7.6649 12.7136 12.7136 13.3190 13.3190 14.6698 14.6698 k = 0.1441 0.6570 0.6972 ( 5590 PWs) bands (ev): -38.1402 -38.1402 -38.1296 -38.1296 -11.7372 -11.7372 -11.5834 -11.5834 -0.3190 -0.3190 0.7238 0.7238 1.9332 1.9332 2.1677 2.1677 2.2718 2.2718 3.4132 3.4132 5.2378 5.2378 5.3416 5.3416 5.6445 5.6445 6.1823 6.1823 7.6543 7.6543 12.7120 12.7120 13.3368 13.3368 14.6735 14.6735 k = 0.1585 0.6613 0.6935 ( 5599 PWs) bands (ev): -38.1408 -38.1408 -38.1291 -38.1291 -11.7364 -11.7364 -11.5855 -11.5855 -0.3223 -0.3223 0.7224 0.7224 1.9300 1.9300 2.1624 2.1624 2.2892 2.2892 3.4210 3.4210 5.2372 5.2372 5.3415 5.3415 5.6479 5.6479 6.1765 6.1765 7.6432 7.6432 12.7099 12.7099 13.3556 13.3556 14.6768 14.6768 k = 0.1729 0.6657 0.6898 ( 5595 PWs) bands (ev): -38.1414 -38.1414 -38.1286 -38.1286 -11.7356 -11.7356 -11.5877 -11.5877 -0.3253 -0.3253 0.7206 0.7206 1.9273 1.9273 2.1570 2.1570 2.3067 2.3067 3.4288 3.4288 5.2365 5.2365 5.3416 5.3416 5.6514 5.6514 6.1706 6.1706 7.6318 7.6318 12.7072 12.7072 13.3754 13.3754 14.6795 14.6795 k = 0.1873 0.6701 0.6862 ( 5599 PWs) bands (ev): -38.1420 -38.1420 -38.1281 -38.1281 -11.7349 -11.7349 -11.5900 -11.5900 -0.3279 -0.3279 0.7183 0.7183 1.9251 1.9251 2.1515 2.1515 2.3242 2.3242 3.4366 3.4366 5.2357 5.2357 5.3417 5.3417 5.6548 5.6548 6.1647 6.1647 7.6204 7.6204 12.7037 12.7037 13.3959 13.3959 14.6814 14.6814 k = 0.2017 0.6745 0.6825 ( 5589 PWs) bands (ev): -38.1425 -38.1425 -38.1276 -38.1276 -11.7343 -11.7343 -11.5924 -11.5924 -0.3299 -0.3299 0.7156 0.7156 1.9235 1.9235 2.1461 2.1461 2.3416 2.3416 3.4441 3.4441 5.2347 5.2347 5.3420 5.3420 5.6582 5.6582 6.1587 6.1587 7.6091 7.6091 12.6992 12.6992 13.4171 13.4171 14.6821 14.6821 k = 0.2161 0.6789 0.6788 ( 5594 PWs) bands (ev): -38.1431 -38.1431 -38.1271 -38.1271 -11.7337 -11.7337 -11.5947 -11.5947 -0.3313 -0.3313 0.7124 0.7124 1.9225 1.9225 2.1407 2.1407 2.3586 2.3586 3.4512 3.4512 5.2337 5.2337 5.3424 5.3424 5.6615 5.6615 6.1529 6.1529 7.5980 7.5980 12.6936 12.6936 13.4389 13.4389 14.6815 14.6815 k = 0.2305 0.6833 0.6752 ( 5597 PWs) bands (ev): -38.1437 -38.1437 -38.1266 -38.1266 -11.7334 -11.7334 -11.5971 -11.5971 -0.3319 -0.3319 0.7088 0.7088 1.9220 1.9220 2.1355 2.1355 2.3750 2.3750 3.4577 3.4577 5.2326 5.2326 5.3430 5.3430 5.6645 5.6645 6.1472 6.1472 7.5873 7.5873 12.6865 12.6865 13.4611 13.4611 14.6794 14.6794 k = 0.2449 0.6876 0.6715 ( 5589 PWs) bands (ev): -38.1443 -38.1443 -38.1261 -38.1261 -11.7332 -11.7332 -11.5994 -11.5994 -0.3316 -0.3316 0.7048 0.7048 1.9219 1.9219 2.1306 2.1306 2.3907 2.3907 3.4635 3.4635 5.2314 5.2314 5.3439 5.3439 5.6672 5.6672 6.1419 6.1419 7.5773 7.5773 12.6778 12.6778 13.4838 13.4838 14.6758 14.6758 k = 0.2593 0.6920 0.6679 ( 5590 PWs) bands (ev): -38.1448 -38.1448 -38.1256 -38.1256 -11.7333 -11.7333 -11.6015 -11.6015 -0.3304 -0.3304 0.7004 0.7004 1.9223 1.9223 2.1260 2.1260 2.4055 2.4055 3.4684 3.4684 5.2302 5.2302 5.3450 5.3450 5.6696 5.6696 6.1368 6.1368 7.5681 7.5681 12.6671 12.6671 13.5070 13.5070 14.6707 14.6707 k = 0.2737 0.6964 0.6642 ( 5594 PWs) bands (ev): -38.1454 -38.1454 -38.1251 -38.1251 -11.7337 -11.7337 -11.6035 -11.6035 -0.3281 -0.3281 0.6958 0.6958 1.9231 1.9231 2.1218 2.1218 2.4192 2.4192 3.4723 3.4723 5.2289 5.2289 5.3464 5.3464 5.6716 5.6716 6.1323 6.1323 7.5598 7.5598 12.6543 12.6543 13.5306 13.5306 14.6641 14.6641 k = 0.2737 0.6964 0.6642 ( 5594 PWs) bands (ev): -38.1454 -38.1454 -38.1251 -38.1251 -11.7337 -11.7337 -11.6035 -11.6035 -0.3281 -0.3281 0.6958 0.6958 1.9231 1.9231 2.1218 2.1218 2.4192 2.4192 3.4723 3.4723 5.2289 5.2289 5.3464 5.3464 5.6716 5.6716 6.1323 6.1323 7.5598 7.5598 12.6543 12.6543 13.5306 13.5306 14.6641 14.6641 k = 0.2781 0.6880 0.6514 ( 5600 PWs) bands (ev): -38.1475 -38.1475 -38.1234 -38.1234 -11.7364 -11.7364 -11.6101 -11.6101 -0.3163 -0.3163 0.6798 0.6798 1.9254 1.9254 2.1077 2.1077 2.4655 2.4655 3.4822 3.4822 5.2243 5.2243 5.3532 5.3532 5.6779 5.6779 6.1168 6.1168 7.5323 7.5323 12.5992 12.5992 13.6222 13.6222 14.6373 14.6373 k = 0.2824 0.6795 0.6387 ( 5606 PWs) bands (ev): -38.1496 -38.1496 -38.1218 -38.1218 -11.7403 -11.7403 -11.6169 -11.6169 -0.3005 -0.3005 0.6655 0.6655 1.9253 1.9253 2.0937 2.0937 2.5130 2.5130 3.4889 3.4889 5.2193 5.2193 5.3629 5.3629 5.6841 5.6841 6.1009 6.1009 7.5043 7.5043 12.5352 12.5352 13.7273 13.7273 14.6073 14.6073 k = 0.2868 0.6711 0.6259 ( 5612 PWs) bands (ev): -38.1517 -38.1517 -38.1202 -38.1202 -11.7454 -11.7454 -11.6240 -11.6240 -0.2809 -0.2809 0.6530 0.6530 1.9230 1.9230 2.0797 2.0797 2.5616 2.5616 3.4925 3.4925 5.2137 5.2137 5.3753 5.3753 5.6902 5.6902 6.0846 6.0846 7.4760 7.4760 12.4663 12.4663 13.8417 13.8417 14.5744 14.5744 k = 0.2911 0.6627 0.6131 ( 5612 PWs) bands (ev): -38.1538 -38.1538 -38.1186 -38.1186 -11.7517 -11.7517 -11.6312 -11.6312 -0.2574 -0.2574 0.6422 0.6422 1.9186 1.9186 2.0657 2.0657 2.6110 2.6110 3.4930 3.4930 5.2073 5.2073 5.3905 5.3905 5.6963 5.6963 6.0680 6.0680 7.4475 7.4475 12.3950 12.3950 13.9628 13.9628 14.5387 14.5387 k = 0.2955 0.6543 0.6003 ( 5608 PWs) bands (ev): -38.1560 -38.1560 -38.1171 -38.1171 -11.7592 -11.7592 -11.6387 -11.6387 -0.2302 -0.2302 0.6332 0.6332 1.9120 1.9120 2.0518 2.0518 2.6610 2.6610 3.4906 3.4906 5.2002 5.2002 5.4084 5.4084 5.7024 5.7024 6.0512 6.0512 7.4190 7.4190 12.3227 12.3227 14.0890 14.0890 14.5005 14.5005 k = 0.2998 0.6458 0.5876 ( 5600 PWs) bands (ev): -38.1581 -38.1581 -38.1156 -38.1156 -11.7678 -11.7678 -11.6464 -11.6464 -0.1994 -0.1994 0.6261 0.6261 1.9035 1.9035 2.0378 2.0378 2.7115 2.7115 3.4854 3.4854 5.1923 5.1923 5.4285 5.4285 5.7084 5.7084 6.0343 6.0343 7.3906 7.3906 12.2502 12.2502 14.2192 14.2192 14.4599 14.4599 k = 0.3042 0.6374 0.5748 ( 5592 PWs) bands (ev): -38.1603 -38.1603 -38.1142 -38.1142 -11.7775 -11.7775 -11.6543 -11.6543 -0.1650 -0.1650 0.6209 0.6209 1.8933 1.8933 2.0239 2.0239 2.7621 2.7621 3.4777 3.4777 5.1837 5.1837 5.4509 5.4509 5.7144 5.7144 6.0174 6.0174 7.3627 7.3627 12.1781 12.1781 14.3525 14.3525 14.4171 14.4171 k = 0.3085 0.6290 0.5620 ( 5588 PWs) bands (ev): -38.1625 -38.1625 -38.1128 -38.1128 -11.7882 -11.7882 -11.6623 -11.6623 -0.1271 -0.1271 0.6175 0.6175 1.8813 1.8813 2.0099 2.0099 2.8128 2.8128 3.4675 3.4675 5.1742 5.1742 5.4751 5.4751 5.7203 5.7203 6.0006 6.0006 7.3353 7.3353 12.1068 12.1068 14.3723 14.3723 14.4882 14.4882 k = 0.3129 0.6206 0.5492 ( 5596 PWs) bands (ev): -38.1647 -38.1647 -38.1115 -38.1115 -11.7999 -11.7999 -11.6705 -11.6705 -0.0859 -0.0859 0.6161 0.6161 1.8679 1.8679 1.9959 1.9959 2.8632 2.8632 3.4552 3.4552 5.1640 5.1640 5.5008 5.5008 5.7262 5.7262 5.9839 5.9839 7.3087 7.3087 12.0365 12.0365 14.3257 14.3257 14.6257 14.6257 k = 0.3172 0.6121 0.5365 ( 5586 PWs) bands (ev): -38.1668 -38.1668 -38.1101 -38.1101 -11.8125 -11.8125 -11.6787 -11.6787 -0.0416 -0.0416 0.6165 0.6165 1.8532 1.8532 1.9820 1.9820 2.9131 2.9131 3.4408 3.4408 5.1531 5.1531 5.5277 5.5277 5.7321 5.7321 5.9676 5.9676 7.2831 7.2831 11.9674 11.9674 14.2775 14.2775 14.7644 14.7644 k = 0.3216 0.6037 0.5237 ( 5590 PWs) bands (ev): -38.1690 -38.1690 -38.1089 -38.1089 -11.8260 -11.8260 -11.6872 -11.6872 0.0057 0.0057 0.6188 0.6188 1.8374 1.8374 1.9680 1.9680 2.9622 2.9622 3.4248 3.4248 5.1414 5.1414 5.5555 5.5555 5.7379 5.7379 5.9516 5.9516 7.2587 7.2587 11.8995 11.8995 14.2279 14.2279 14.9036 14.9036 k = 0.3259 0.5953 0.5109 ( 5586 PWs) bands (ev): -38.1712 -38.1712 -38.1077 -38.1077 -11.8403 -11.8403 -11.6957 -11.6957 0.0558 0.0558 0.6231 0.6231 1.8208 1.8208 1.9540 1.9540 3.0103 3.0103 3.4071 3.4071 5.1291 5.1291 5.5835 5.5835 5.7439 5.7439 5.9362 5.9362 7.2359 7.2359 11.8330 11.8330 14.1770 14.1770 15.0426 15.0426 k = 0.3303 0.5869 0.4982 ( 5588 PWs) bands (ev): -38.1734 -38.1734 -38.1065 -38.1065 -11.8553 -11.8553 -11.7042 -11.7042 0.1085 0.1085 0.6292 0.6292 1.8036 1.8036 1.9400 1.9400 3.0570 3.0570 3.3881 3.3881 5.1161 5.1161 5.6112 5.6112 5.7502 5.7502 5.9216 5.9216 7.2147 7.2147 11.7678 11.7678 14.1251 14.1251 15.1806 15.1806 k = 0.3346 0.5784 0.4854 ( 5588 PWs) bands (ev): -38.1756 -38.1756 -38.1054 -38.1054 -11.8710 -11.8710 -11.7129 -11.7129 0.1635 0.1635 0.6372 0.6372 1.7861 1.7861 1.9260 1.9260 3.1022 3.1022 3.3679 3.3679 5.1024 5.1024 5.6377 5.6377 5.7572 5.7572 5.9079 5.9079 7.1956 7.1956 11.7039 11.7039 14.0722 14.0722 15.3167 15.3167 k = 0.3390 0.5700 0.4726 ( 5588 PWs) bands (ev): -38.1777 -38.1777 -38.1043 -38.1043 -11.8873 -11.8873 -11.7216 -11.7216 0.2205 0.2205 0.6470 0.6470 1.7687 1.7687 1.9121 1.9121 3.1454 3.1454 3.3468 3.3468 5.0881 5.0881 5.6615 5.6615 5.7656 5.7656 5.8958 5.8958 7.1788 7.1788 11.6414 11.6414 14.0185 14.0185 15.4500 15.4500 k = 0.3433 0.5616 0.4598 ( 5596 PWs) bands (ev): -38.1799 -38.1799 -38.1032 -38.1032 -11.9042 -11.9042 -11.7303 -11.7303 0.2791 0.2791 0.6587 0.6587 1.7517 1.7517 1.8981 1.8981 3.1864 3.1864 3.3249 3.3249 5.0733 5.0733 5.6812 5.6812 5.7758 5.7758 5.8862 5.8862 7.1644 7.1644 11.5803 11.5803 13.9642 13.9642 15.5795 15.5795 k = 0.3477 0.5532 0.4471 ( 5592 PWs) bands (ev): -38.1820 -38.1820 -38.1022 -38.1022 -11.9215 -11.9215 -11.7390 -11.7390 0.3390 0.3390 0.6721 0.6721 1.7356 1.7356 1.8841 1.8841 3.2246 3.2246 3.3026 3.3026 5.0580 5.0580 5.6953 5.6953 5.7870 5.7870 5.8807 5.8807 7.1529 7.1529 11.5205 11.5205 13.9094 13.9094 15.7044 15.7044 k = 0.3520 0.5447 0.4343 ( 5592 PWs) bands (ev): -38.1841 -38.1841 -38.1013 -38.1013 -11.9393 -11.9393 -11.7477 -11.7477 0.3995 0.3995 0.6874 0.6874 1.7208 1.7208 1.8702 1.8702 3.2578 3.2578 3.2820 3.2820 5.0423 5.0423 5.7039 5.7039 5.7960 5.7960 5.8828 5.8828 7.1443 7.1443 11.4621 11.4621 13.8542 13.8542 15.8238 15.8238 k = 0.3564 0.5363 0.4215 ( 5590 PWs) bands (ev): -38.1862 -38.1862 -38.1003 -38.1003 -11.9574 -11.9574 -11.7564 -11.7564 0.4603 0.4603 0.7044 0.7044 1.7080 1.7080 1.8564 1.8564 3.2528 3.2528 3.2963 3.2963 5.0261 5.0261 5.7078 5.7078 5.7989 5.7989 5.8948 5.8948 7.1390 7.1390 11.4050 11.4050 13.7986 13.7986 15.9374 15.9374 k = 0.3607 0.5279 0.4087 ( 5594 PWs) bands (ev): -38.1883 -38.1883 -38.0995 -38.0995 -11.9758 -11.9758 -11.7651 -11.7651 0.5204 0.5204 0.7231 0.7231 1.6979 1.6979 1.8426 1.8426 3.2298 3.2298 3.3250 3.3250 5.0096 5.0096 5.7082 5.7082 5.7961 5.7961 5.9154 5.9154 7.1371 7.1371 11.3493 11.3493 13.7429 13.7429 16.0450 16.0450 k = 0.3651 0.5195 0.3960 ( 5602 PWs) bands (ev): -38.1903 -38.1903 -38.0986 -38.0986 -11.9943 -11.9943 -11.7737 -11.7737 0.5791 0.5791 0.7435 0.7435 1.6914 1.6914 1.8289 1.8289 3.2060 3.2060 3.3509 3.3509 4.9929 4.9929 5.7059 5.7059 5.7900 5.7900 5.9409 5.9409 7.1388 7.1388 11.2948 11.2948 13.6871 13.6871 16.1470 16.1470 k = 0.3694 0.5110 0.3832 ( 5602 PWs) bands (ev): -38.1923 -38.1923 -38.0978 -38.0978 -12.0131 -12.0131 -11.7822 -11.7822 0.6354 0.6354 0.7656 0.7656 1.6893 1.6893 1.8153 1.8153 3.1819 3.1819 3.3733 3.3733 4.9759 4.9759 5.7012 5.7012 5.7825 5.7825 5.9690 5.9690 7.1443 7.1443 11.2417 11.2417 13.6314 13.6314 16.2438 16.2438 k = 0.3738 0.5026 0.3704 ( 5594 PWs) bands (ev): -38.1943 -38.1943 -38.0971 -38.0971 -12.0318 -12.0318 -11.7906 -11.7906 0.6881 0.6881 0.7892 0.7892 1.6928 1.6928 1.8018 1.8018 3.1579 3.1579 3.3918 3.3918 4.9587 4.9587 5.6946 5.6946 5.7743 5.7743 5.9983 5.9983 7.1536 7.1536 11.1899 11.1899 13.5757 13.5757 16.3363 16.3363 k = 0.3781 0.4942 0.3576 ( 5598 PWs) bands (ev): -38.1962 -38.1962 -38.0963 -38.0963 -12.0507 -12.0507 -11.7989 -11.7989 0.7361 0.7361 0.8144 0.8144 1.7030 1.7030 1.7885 1.7885 3.1340 3.1340 3.4065 3.4065 4.9414 4.9414 5.6863 5.6863 5.7658 5.7658 6.0280 6.0280 7.1668 7.1668 11.1393 11.1393 13.5202 13.5202 16.4253 16.4253 k = 0.3825 0.4857 0.3449 ( 5594 PWs) bands (ev): -38.1981 -38.1981 -38.0956 -38.0956 -12.0694 -12.0694 -11.8071 -11.8071 0.7782 0.7782 0.8411 0.8411 1.7208 1.7208 1.7755 1.7755 3.1102 3.1102 3.4170 3.4170 4.9241 4.9241 5.6762 5.6762 5.7573 5.7573 6.0577 6.0577 7.1840 7.1840 11.0901 11.0901 13.4649 13.4649 16.5115 16.5115 k = 0.3868 0.4773 0.3321 ( 5594 PWs) bands (ev): -38.2000 -38.2000 -38.0950 -38.0950 -12.0880 -12.0880 -11.8151 -11.8151 0.8135 0.8135 0.8692 0.8692 1.7460 1.7460 1.7640 1.7640 3.0868 3.0868 3.4236 3.4236 4.9067 4.9067 5.6644 5.6644 5.7489 5.7489 6.0872 6.0872 7.2050 7.2050 11.0421 11.0421 13.4100 13.4100 16.5957 16.5957 k = 0.3912 0.4689 0.3193 ( 5594 PWs) bands (ev): -38.2018 -38.2018 -38.0943 -38.0943 -12.1065 -12.1065 -11.8230 -11.8230 0.8416 0.8416 0.8988 0.8988 1.7481 1.7481 1.7848 1.7848 3.0638 3.0638 3.4260 3.4260 4.8894 4.8894 5.6509 5.6509 5.7407 5.7407 6.1162 6.1162 7.2298 7.2298 10.9955 10.9955 13.3555 13.3555 16.6784 16.6784 k = 0.3956 0.4605 0.3066 ( 5590 PWs) bands (ev): -38.2035 -38.2035 -38.0938 -38.0938 -12.1247 -12.1247 -11.8307 -11.8307 0.8624 0.8624 0.9297 0.9297 1.7361 1.7361 1.8291 1.8291 3.0412 3.0412 3.4245 3.4245 4.8722 4.8722 5.6354 5.6354 5.7329 5.7329 6.1446 6.1446 7.2582 7.2582 10.9502 10.9502 13.3015 13.3015 16.7600 16.7601 k = 0.3999 0.4520 0.2938 ( 5592 PWs) bands (ev): -38.2053 -38.2053 -38.0932 -38.0932 -12.1426 -12.1426 -11.8382 -11.8382 0.8763 0.8763 0.9617 0.9617 1.7239 1.7239 1.8824 1.8824 3.0191 3.0191 3.4190 3.4190 4.8551 4.8551 5.6179 5.6179 5.7254 5.7254 6.1723 6.1723 7.2900 7.2900 10.9062 10.9062 13.2480 13.2480 16.8407 16.8410 k = 0.4043 0.4436 0.2810 ( 5586 PWs) bands (ev): -38.2069 -38.2069 -38.0927 -38.0927 -12.1602 -12.1602 -11.8455 -11.8455 0.8841 0.8841 0.9948 0.9948 1.7119 1.7119 1.9434 1.9434 2.9976 2.9976 3.4098 3.4098 4.8382 4.8382 5.5983 5.5983 5.7185 5.7185 6.1991 6.1991 7.3251 7.3251 10.8636 10.8636 13.1952 13.1952 16.8508 16.8508 k = 0.4086 0.4352 0.2682 ( 5588 PWs) bands (ev): -38.2085 -38.2085 -38.0922 -38.0922 -12.1774 -12.1774 -11.8526 -11.8526 0.8868 0.8868 1.0290 1.0290 1.7002 1.7002 2.0111 2.0111 2.9767 2.9767 3.3970 3.3970 4.8214 4.8214 5.5766 5.5766 5.7121 5.7121 6.2251 6.2251 7.3630 7.3630 10.8224 10.8224 13.1431 13.1431 16.8343 16.8343 k = 0.4130 0.4268 0.2555 ( 5584 PWs) bands (ev): -38.2101 -38.2101 -38.0917 -38.0917 -12.1941 -12.1941 -11.8594 -11.8594 0.8852 0.8852 1.0640 1.0640 1.6888 1.6888 2.0843 2.0843 2.9565 2.9565 3.3809 3.3809 4.8050 4.8050 5.5527 5.5527 5.7063 5.7063 6.2502 6.2502 7.4035 7.4035 10.7827 10.7827 13.0918 13.0918 16.8096 16.8096 k = 0.4173 0.4183 0.2427 ( 5576 PWs) bands (ev): -38.2116 -38.2116 -38.0913 -38.0913 -12.2103 -12.2103 -11.8660 -11.8660 0.8804 0.8804 1.0999 1.0999 1.6777 1.6777 2.1620 2.1620 2.9371 2.9371 3.3617 3.3617 4.7887 4.7887 5.5266 5.5266 5.7011 5.7011 6.2742 6.2742 7.4461 7.4461 10.7444 10.7444 13.0415 13.0415 16.7780 16.7780 k = 0.4217 0.4099 0.2299 ( 5580 PWs) bands (ev): -38.2130 -38.2130 -38.0909 -38.0909 -12.2260 -12.2260 -11.8724 -11.8724 0.8730 0.8730 1.1366 1.1366 1.6670 1.6670 2.2432 2.2432 2.9183 2.9183 3.3396 3.3396 4.7728 4.7728 5.4984 5.4984 5.6964 5.6964 6.2972 6.2972 7.4906 7.4906 10.7076 10.7076 12.9922 12.9922 16.7414 16.7414 k = 0.4260 0.4015 0.2171 ( 5584 PWs) bands (ev): -38.2144 -38.2144 -38.0905 -38.0905 -12.2411 -12.2411 -11.8785 -11.8785 0.8639 0.8639 1.1737 1.1737 1.6568 1.6568 2.3271 2.3271 2.9004 2.9004 3.3151 3.3151 4.7571 4.7571 5.4682 5.4682 5.6923 5.6923 6.3191 6.3191 7.5364 7.5364 10.6724 10.6724 12.9441 12.9441 16.7016 16.7016 k = 0.4304 0.3931 0.2044 ( 5586 PWs) bands (ev): -38.2157 -38.2157 -38.0901 -38.0901 -12.2555 -12.2555 -11.8843 -11.8843 0.8534 0.8534 1.2113 1.2113 1.6469 1.6469 2.4128 2.4128 2.8834 2.8834 3.2883 3.2883 4.7417 4.7417 5.4360 5.4360 5.6886 5.6886 6.3399 6.3399 7.5832 7.5832 10.6388 10.6388 12.8972 12.8972 16.6602 16.6602 k = 0.4347 0.3846 0.1916 ( 5582 PWs) bands (ev): -38.2169 -38.2169 -38.0898 -38.0898 -12.2693 -12.2693 -11.8897 -11.8897 0.8422 0.8422 1.2492 1.2492 1.6376 1.6376 2.4997 2.4997 2.8672 2.8672 3.2597 3.2597 4.7266 4.7266 5.4021 5.4021 5.6854 5.6854 6.3596 6.3596 7.6305 7.6305 10.6069 10.6069 12.8518 12.8518 16.6183 16.6183 k = 0.4391 0.3762 0.1788 ( 5582 PWs) bands (ev): -38.2181 -38.2181 -38.0895 -38.0895 -12.2823 -12.2823 -11.8949 -11.8949 0.8306 0.8306 1.2872 1.2872 1.6287 1.6287 2.5870 2.5870 2.8520 2.8520 3.2296 3.2296 4.7117 4.7117 5.3666 5.3666 5.6825 5.6825 6.3781 6.3781 7.6777 7.6777 10.5767 10.5767 12.8080 12.8080 16.5769 16.5769 k = 0.4434 0.3678 0.1661 ( 5574 PWs) bands (ev): -38.2191 -38.2191 -38.0892 -38.0892 -12.2946 -12.2946 -11.8998 -11.8998 0.8188 0.8188 1.3249 1.3249 1.6203 1.6203 2.6742 2.6742 2.8378 2.8378 3.1984 3.1984 4.6970 4.6970 5.3299 5.3299 5.6801 5.6801 6.3954 6.3954 7.7245 7.7245 10.5483 10.5483 12.7659 12.7659 16.5368 16.5368 k = 0.4478 0.3594 0.1533 ( 5572 PWs) bands (ev): -38.2202 -38.2202 -38.0890 -38.0890 -12.3061 -12.3061 -11.9044 -11.9044 0.8072 0.8072 1.3624 1.3624 1.6124 1.6124 2.7600 2.7600 2.8251 2.8251 3.1666 3.1666 4.6825 4.6825 5.2921 5.2921 5.6780 5.6780 6.4115 6.4115 7.7703 7.7703 10.5217 10.5217 12.7257 12.7257 16.4984 16.4984 k = 0.4521 0.3509 0.1405 ( 5576 PWs) bands (ev): -38.2211 -38.2211 -38.0887 -38.0887 -12.3169 -12.3169 -11.9086 -11.9086 0.7959 0.7959 1.3991 1.3991 1.6051 1.6051 2.8097 2.8097 2.8481 2.8481 3.1346 3.1346 4.6680 4.6680 5.2537 5.2537 5.6762 5.6762 6.4263 6.4263 7.8147 7.8147 10.4970 10.4970 12.6877 12.6877 16.4622 16.4622 k = 0.4565 0.3425 0.1277 ( 5582 PWs) bands (ev): -38.2220 -38.2220 -38.0885 -38.0885 -12.3267 -12.3267 -11.9125 -11.9125 0.7852 0.7852 1.4349 1.4349 1.5984 1.5984 2.7997 2.7997 2.9294 2.9294 3.1031 3.1031 4.6536 4.6536 5.2153 5.2153 5.6746 5.6746 6.4399 6.4399 7.8572 7.8572 10.4742 10.4742 12.6519 12.6519 16.4285 16.4285 k = 0.4608 0.3341 0.1150 ( 5578 PWs) bands (ev): -38.2228 -38.2228 -38.0883 -38.0883 -12.3357 -12.3357 -11.9160 -11.9160 0.7751 0.7751 1.4693 1.4693 1.5922 1.5922 2.7895 2.7895 3.0065 3.0065 3.0749 3.0749 4.6391 4.6391 5.1773 5.1773 5.6734 5.6734 6.4523 6.4523 7.8974 7.8974 10.4534 10.4534 12.6187 12.6187 16.3975 16.3975 k = 0.4652 0.3257 0.1022 ( 5582 PWs) bands (ev): -38.2235 -38.2235 -38.0882 -38.0882 -12.3439 -12.3439 -11.9192 -11.9192 0.7659 0.7659 1.5021 1.5021 1.5867 1.5867 2.7803 2.7803 3.0329 3.0329 3.0951 3.0951 4.6245 4.6245 5.1404 5.1404 5.6723 5.6723 6.4633 6.4633 7.9347 7.9347 10.4347 10.4347 12.5883 12.5883 16.3694 16.3694 k = 0.4695 0.3172 0.0894 ( 5582 PWs) bands (ev): -38.2241 -38.2241 -38.0880 -38.0880 -12.3511 -12.3511 -11.9220 -11.9220 0.7575 0.7575 1.5327 1.5327 1.5817 1.5817 2.7721 2.7721 3.0079 3.0079 3.1640 3.1640 4.6097 4.6097 5.1053 5.1053 5.6714 5.6714 6.4731 6.4731 7.9688 7.9688 10.4181 10.4181 12.5608 12.5608 16.3443 16.3443 k = 0.4739 0.3088 0.0766 ( 5578 PWs) bands (ev): -38.2246 -38.2246 -38.0879 -38.0879 -12.3574 -12.3574 -11.9244 -11.9244 0.7501 0.7501 1.5607 1.5607 1.5774 1.5774 2.7649 2.7649 2.9820 2.9820 3.2305 3.2305 4.5950 4.5950 5.0730 5.0730 5.6707 5.6707 6.4816 6.4816 7.9992 7.9992 10.4035 10.4035 12.5365 12.5365 16.3224 16.3224 k = 0.4782 0.3004 0.0639 ( 5578 PWs) bands (ev): -38.2251 -38.2251 -38.0878 -38.0878 -12.3627 -12.3627 -11.9265 -11.9265 0.7437 0.7437 1.5737 1.5737 1.5857 1.5857 2.7588 2.7588 2.9584 2.9584 3.2908 3.2908 4.5806 4.5806 5.0440 5.0440 5.6701 5.6701 6.4888 6.4888 8.0257 8.0257 10.3912 10.3912 12.5155 12.5155 16.3037 16.3037 k = 0.4826 0.2919 0.0511 ( 5574 PWs) bands (ev): -38.2255 -38.2255 -38.0877 -38.0877 -12.3671 -12.3671 -11.9282 -11.9282 0.7384 0.7384 1.5707 1.5707 1.6070 1.6070 2.7538 2.7538 2.9380 2.9380 3.3432 3.3432 4.5671 4.5671 5.0193 5.0193 5.6696 5.6696 6.4947 6.4947 8.0478 8.0478 10.3810 10.3810 12.4981 12.4981 16.2883 16.2883 k = 0.4869 0.2835 0.0383 ( 5570 PWs) bands (ev): -38.2258 -38.2258 -38.0876 -38.0876 -12.3705 -12.3705 -11.9296 -11.9296 0.7342 0.7342 1.5684 1.5684 1.6241 1.6241 2.7499 2.7499 2.9215 2.9215 3.3863 3.3863 4.5550 4.5550 4.9995 4.9995 5.6693 5.6693 6.4993 6.4993 8.0653 8.0653 10.3731 10.3731 12.4843 12.4843 16.2763 16.2763 k = 0.4913 0.2751 0.0255 ( 5574 PWs) bands (ev): -38.2260 -38.2260 -38.0876 -38.0876 -12.3730 -12.3730 -11.9305 -11.9305 0.7312 0.7312 1.5667 1.5667 1.6368 1.6368 2.7472 2.7472 2.9092 2.9092 3.4184 3.4184 4.5454 4.5454 4.9849 4.9849 5.6691 5.6691 6.5026 6.5026 8.0779 8.0779 10.3674 10.3674 12.4744 12.4744 16.2677 16.2677 k = 0.4956 0.2667 0.0128 ( 5572 PWs) bands (ev): -38.2261 -38.2261 -38.0876 -38.0876 -12.3745 -12.3745 -11.9311 -11.9311 0.7294 0.7294 1.5657 1.5657 1.6445 1.6445 2.7455 2.7455 2.9017 2.9017 3.4383 3.4383 4.5392 4.5392 4.9761 4.9761 5.6689 5.6689 6.5046 6.5046 8.0856 8.0856 10.3640 10.3640 12.4684 12.4684 16.2626 16.2626 k = 0.5000 0.2582 0.0000 ( 5568 PWs) bands (ev): -38.2261 -38.2261 -38.0876 -38.0876 -12.3750 -12.3750 -11.9313 -11.9313 0.7288 0.7288 1.5654 1.5654 1.6471 1.6471 2.7449 2.7449 2.8992 2.8992 3.4450 3.4450 4.5370 4.5370 4.9731 4.9731 5.6689 5.6689 6.5052 6.5052 8.0881 8.0881 10.3629 10.3629 12.4664 12.4664 16.2608 16.2608 k = 0.5000 0.2582 0.0000 ( 5568 PWs) bands (ev): -38.2261 -38.2261 -38.0876 -38.0876 -12.3750 -12.3750 -11.9313 -11.9313 0.7288 0.7288 1.5654 1.5654 1.6471 1.6471 2.7449 2.7449 2.8992 2.8992 3.4450 3.4450 4.5370 4.5370 4.9731 4.9731 5.6689 5.6689 6.5052 6.5052 8.0881 8.0881 10.3629 10.3629 12.4664 12.4664 16.2608 16.2608 k = 0.4857 0.2509 0.0000 ( 5572 PWs) bands (ev): -38.2261 -38.2261 -38.0876 -38.0876 -12.3759 -12.3759 -11.9302 -11.9302 0.7268 0.7268 1.5652 1.5652 1.6466 1.6466 2.7454 2.7454 2.9015 2.9015 3.4461 3.4461 4.5377 4.5377 4.9730 4.9730 5.6689 5.6689 6.5046 6.5046 8.0874 8.0874 10.3609 10.3609 12.4658 12.4658 16.2613 16.2613 k = 0.4714 0.2435 0.0000 ( 5564 PWs) bands (ev): -38.2261 -38.2261 -38.0875 -38.0875 -12.3785 -12.3785 -11.9272 -11.9272 0.7208 0.7208 1.5648 1.5648 1.6449 1.6449 2.7466 2.7466 2.9085 2.9085 3.4492 3.4492 4.5396 4.5396 4.9726 4.9726 5.6689 5.6689 6.5027 6.5027 8.0853 8.0853 10.3550 10.3550 12.4638 12.4638 16.2626 16.2626 k = 0.4571 0.2361-0.0000 ( 5568 PWs) bands (ev): -38.2261 -38.2261 -38.0876 -38.0876 -12.3829 -12.3829 -11.9222 -11.9222 0.7109 0.7109 1.5642 1.5642 1.6422 1.6422 2.7487 2.7487 2.9200 2.9200 3.4545 3.4545 4.5428 4.5428 4.9720 4.9720 5.6689 5.6689 6.4996 6.4996 8.0817 8.0817 10.3453 10.3453 12.4605 12.4605 16.2649 16.2649 k = 0.4429 0.2287-0.0000 ( 5576 PWs) bands (ev): -38.2262 -38.2262 -38.0876 -38.0876 -12.3887 -12.3887 -11.9154 -11.9154 0.6974 0.6974 1.5632 1.5632 1.6384 1.6384 2.7516 2.7516 2.9358 2.9358 3.4617 3.4617 4.5472 4.5472 4.9711 4.9711 5.6688 5.6688 6.4953 6.4953 8.0768 8.0768 10.3317 10.3317 12.4561 12.4561 16.2679 16.2679 k = 0.4286 0.2214 0.0000 ( 5578 PWs) bands (ev): -38.2262 -38.2262 -38.0876 -38.0876 -12.3960 -12.3960 -11.9070 -11.9070 0.6804 0.6804 1.5620 1.5620 1.6337 1.6337 2.7553 2.7553 2.9557 2.9557 3.4709 3.4709 4.5528 4.5528 4.9700 4.9700 5.6688 5.6688 6.4898 6.4898 8.0705 8.0705 10.3145 10.3145 12.4506 12.4506 16.2718 16.2718 k = 0.4143 0.2140 0.0000 ( 5576 PWs) bands (ev): -38.2262 -38.2262 -38.0876 -38.0876 -12.4044 -12.4044 -11.8972 -11.8972 0.6603 0.6603 1.5606 1.5606 1.6280 1.6280 2.7598 2.7598 2.9794 2.9794 3.4820 3.4820 4.5595 4.5595 4.9687 4.9687 5.6688 5.6688 6.4832 6.4832 8.0628 8.0628 10.2937 10.2937 12.4443 12.4443 16.2764 16.2764 k = 0.4000 0.2066 0.0000 ( 5572 PWs) bands (ev): -38.2262 -38.2262 -38.0875 -38.0875 -12.4138 -12.4138 -11.8862 -11.8862 0.6373 0.6373 1.5590 1.5590 1.6215 1.6215 2.7650 2.7650 3.0066 3.0066 3.4948 3.4948 4.5672 4.5672 4.9672 4.9672 5.6687 5.6687 6.4755 6.4755 8.0540 8.0540 10.2695 10.2695 12.4371 12.4371 16.2817 16.2817 k = 0.3857 0.1992 0.0000 ( 5580 PWs) bands (ev): -38.2262 -38.2262 -38.0875 -38.0875 -12.4239 -12.4239 -11.8742 -11.8742 0.6119 0.6119 1.5572 1.5572 1.6142 1.6142 2.7709 2.7709 3.0368 3.0368 3.5093 3.5093 4.5757 4.5757 4.9656 4.9656 5.6687 5.6687 6.4668 6.4668 8.0439 8.0439 10.2422 10.2422 12.4294 12.4294 16.2877 16.2877 k = 0.3714 0.1918 0.0000 ( 5580 PWs) bands (ev): -38.2262 -38.2262 -38.0875 -38.0875 -12.4347 -12.4347 -11.8614 -11.8614 0.5845 0.5845 1.5551 1.5551 1.6063 1.6063 2.7774 2.7774 3.0698 3.0698 3.5253 3.5253 4.5850 4.5850 4.9639 4.9639 5.6687 5.6687 6.4571 6.4571 8.0327 8.0327 10.2120 10.2120 12.4212 12.4212 16.2942 16.2942 k = 0.3571 0.1845 0.0000 ( 5592 PWs) bands (ev): -38.2262 -38.2262 -38.0875 -38.0875 -12.4460 -12.4460 -11.8480 -11.8480 0.5552 0.5552 1.5529 1.5529 1.5977 1.5977 2.7845 2.7845 3.1052 3.1052 3.5426 3.5426 4.5949 4.5949 4.9622 4.9622 5.6686 5.6686 6.4466 6.4466 8.0204 8.0204 10.1791 10.1791 12.4128 12.4128 16.3012 16.3012 k = 0.3429 0.1771-0.0000 ( 5604 PWs) bands (ev): -38.2263 -38.2263 -38.0875 -38.0875 -12.4575 -12.4575 -11.8340 -11.8340 0.5247 0.5247 1.5506 1.5506 1.5886 1.5886 2.7922 2.7922 3.1426 3.1426 3.5611 3.5611 4.6052 4.6052 4.9605 4.9605 5.6685 5.6685 6.4353 6.4353 8.0071 8.0071 10.1439 10.1439 12.4043 12.4043 16.3086 16.3086 k = 0.3286 0.1697 0.0000 ( 5614 PWs) bands (ev): -38.2263 -38.2263 -38.0875 -38.0875 -12.4692 -12.4692 -11.8198 -11.8198 0.4930 0.4930 1.5482 1.5482 1.5792 1.5792 2.8003 2.8003 3.1817 3.1817 3.5808 3.5808 4.6157 4.6157 4.9590 4.9590 5.6685 5.6685 6.4232 6.4232 7.9930 7.9930 10.1065 10.1065 12.3958 12.3958 16.3164 16.3164 k = 0.3143 0.1623 0.0000 ( 5618 PWs) bands (ev): -38.2263 -38.2263 -38.0875 -38.0875 -12.4810 -12.4810 -11.8054 -11.8054 0.4607 0.4607 1.5456 1.5456 1.5694 1.5694 2.8089 2.8089 3.2222 3.2222 3.6013 3.6013 4.6262 4.6262 4.9578 4.9578 5.6684 5.6684 6.4106 6.4106 7.9781 7.9781 10.0674 10.0674 12.3875 12.3875 16.3243 16.3243 k = 0.3000 0.1549-0.0000 ( 5622 PWs) bands (ev): -38.2263 -38.2263 -38.0875 -38.0875 -12.4927 -12.4927 -11.7909 -11.7909 0.4279 0.4279 1.5429 1.5429 1.5594 1.5594 2.8178 2.8178 3.2638 3.2638 3.6225 3.6225 4.6364 4.6364 4.9569 4.9569 5.6684 5.6684 6.3974 6.3974 7.9625 7.9625 10.0269 10.0269 12.3794 12.3794 16.3324 16.3324 k = 0.2857 0.1476 0.0000 ( 5622 PWs) bands (ev): -38.2264 -38.2264 -38.0875 -38.0875 -12.5043 -12.5043 -11.7764 -11.7764 0.3950 0.3950 1.5402 1.5402 1.5494 1.5494 2.8270 2.8270 3.3061 3.3061 3.6444 3.6444 4.6461 4.6461 4.9565 4.9565 5.6683 5.6683 6.3838 6.3838 7.9464 7.9464 9.9854 9.9854 12.3717 12.3717 16.3405 16.3405 k = 0.2714 0.1402-0.0000 ( 5630 PWs) bands (ev): -38.2264 -38.2264 -38.0875 -38.0875 -12.5157 -12.5157 -11.7621 -11.7621 0.3623 0.3623 1.5368 1.5368 1.5400 1.5400 2.8364 2.8364 3.3489 3.3489 3.6666 3.6666 4.6550 4.6550 4.9567 4.9567 5.6682 5.6682 6.3700 6.3700 7.9298 7.9298 9.9431 9.9431 12.3644 12.3644 16.3486 16.3486 k = 0.2571 0.1328 0.0000 ( 5628 PWs) bands (ev): -38.2264 -38.2264 -38.0875 -38.0875 -12.5268 -12.5268 -11.7480 -11.7480 0.3299 0.3299 1.5286 1.5286 1.5354 1.5354 2.8460 2.8460 3.3919 3.3919 3.6890 3.6890 4.6629 4.6629 4.9577 4.9577 5.6681 5.6681 6.3559 6.3559 7.9129 7.9129 9.9004 9.9004 12.3577 12.3577 16.3566 16.3566 k = 0.2429 0.1254-0.0000 ( 5632 PWs) bands (ev): -38.2264 -38.2264 -38.0874 -38.0874 -12.5376 -12.5376 -11.7343 -11.7343 0.2982 0.2982 1.5187 1.5187 1.5325 1.5325 2.8556 2.8556 3.4349 3.4349 3.7115 3.7115 4.6695 4.6695 4.9596 4.9596 5.6681 5.6681 6.3417 6.3417 7.8959 7.8959 9.8578 9.8578 12.3514 12.3514 16.3645 16.3645 k = 0.2286 0.1181-0.0000 ( 5628 PWs) bands (ev): -38.2264 -38.2264 -38.0874 -38.0874 -12.5480 -12.5480 -11.7209 -11.7209 0.2673 0.2673 1.5090 1.5090 1.5298 1.5298 2.8652 2.8652 3.4776 3.4776 3.7339 3.7339 4.6745 4.6745 4.9625 4.9625 5.6680 5.6680 6.3276 6.3276 7.8788 7.8788 9.8155 9.8155 12.3457 12.3457 16.3720 16.3720 k = 0.2143 0.1107 0.0000 ( 5631 PWs) bands (ev): -38.2265 -38.2265 -38.0874 -38.0874 -12.5579 -12.5579 -11.7081 -11.7081 0.2373 0.2373 1.4994 1.4994 1.5272 1.5272 2.8747 2.8747 3.5198 3.5198 3.7561 3.7561 4.6780 4.6780 4.9663 4.9663 5.6679 5.6679 6.3137 6.3137 7.8618 7.8618 9.7738 9.7738 12.3405 12.3405 16.3793 16.3793 k = 0.2000 0.1033 0.0000 ( 5629 PWs) bands (ev): -38.2265 -38.2265 -38.0874 -38.0874 -12.5674 -12.5674 -11.6957 -11.6957 0.2086 0.2086 1.4902 1.4902 1.5247 1.5247 2.8840 2.8840 3.5613 3.5613 3.7777 3.7777 4.6797 4.6797 4.9711 4.9711 5.6678 5.6678 6.2999 6.2999 7.8450 7.8450 9.7332 9.7332 12.3358 12.3358 16.3863 16.3863 k = 0.1857 0.0959-0.0000 ( 5637 PWs) bands (ev): -38.2265 -38.2265 -38.0874 -38.0874 -12.5763 -12.5763 -11.6840 -11.6840 0.1812 0.1812 1.4814 1.4814 1.5223 1.5223 2.8931 2.8931 3.6018 3.6018 3.7988 3.7988 4.6797 4.6797 4.9767 4.9767 5.6677 5.6677 6.2866 6.2866 7.8286 7.8286 9.6939 9.6939 12.3317 12.3317 16.3928 16.3928 k = 0.1714 0.0885-0.0000 ( 5631 PWs) bands (ev): -38.2265 -38.2265 -38.0874 -38.0874 -12.5847 -12.5847 -11.6729 -11.6729 0.1553 0.1553 1.4730 1.4730 1.5200 1.5200 2.9018 2.9018 3.6410 3.6410 3.8191 3.8191 4.6781 4.6781 4.9830 4.9830 5.6676 5.6676 6.2737 6.2737 7.8127 7.8127 9.6563 9.6563 12.3281 12.3281 16.3990 16.3990 k = 0.1571 0.0812 0.0000 ( 5641 PWs) bands (ev): -38.2265 -38.2265 -38.0874 -38.0874 -12.5926 -12.5926 -11.6624 -11.6624 0.1310 0.1310 1.4652 1.4652 1.5178 1.5178 2.9102 2.9102 3.6788 3.6788 3.8385 3.8385 4.6750 4.6750 4.9898 4.9898 5.6676 5.6676 6.2615 6.2615 7.7975 7.7975 9.6205 9.6205 12.3250 12.3250 16.4046 16.4046 k = 0.1429 0.0738 0.0000 ( 5651 PWs) bands (ev): -38.2266 -38.2266 -38.0874 -38.0874 -12.5998 -12.5998 -11.6528 -11.6528 0.1084 0.1084 1.4578 1.4578 1.5157 1.5157 2.9181 2.9181 3.7148 3.7148 3.8569 3.8569 4.6707 4.6707 4.9969 4.9969 5.6675 5.6675 6.2499 6.2499 7.7831 7.7831 9.5870 9.5870 12.3223 12.3223 16.4098 16.4098 k = 0.1286 0.0664 0.0000 ( 5651 PWs) bands (ev): -38.2266 -38.2266 -38.0874 -38.0874 -12.6064 -12.6064 -11.6439 -11.6439 0.0877 0.0877 1.4510 1.4510 1.5139 1.5139 2.9255 2.9255 3.7487 3.7487 3.8741 3.8741 4.6654 4.6654 5.0040 5.0040 5.6674 5.6674 6.2391 6.2391 7.7695 7.7695 9.5558 9.5558 12.3200 12.3200 16.4146 16.4146 k = 0.1143 0.0590 0.0000 ( 5651 PWs) bands (ev): -38.2266 -38.2266 -38.0874 -38.0874 -12.6123 -12.6123 -11.6359 -11.6359 0.0689 0.0689 1.4449 1.4449 1.5122 1.5122 2.9323 2.9323 3.7803 3.7803 3.8900 3.8900 4.6594 4.6594 5.0110 5.0110 5.6673 5.6673 6.2291 6.2291 7.7571 7.7571 9.5274 9.5274 12.3181 12.3181 16.4188 16.4188 k = 0.1000 0.0516 0.0000 ( 5637 PWs) bands (ev): -38.2266 -38.2266 -38.0873 -38.0873 -12.6176 -12.6176 -11.6287 -11.6287 0.0522 0.0522 1.4394 1.4394 1.5106 1.5106 2.9384 2.9384 3.8092 3.8092 3.9046 3.9046 4.6530 4.6530 5.0176 5.0176 5.6672 5.6672 6.2202 6.2202 7.7457 7.7457 9.5018 9.5018 12.3166 12.3166 16.4225 16.4225 k = 0.0857 0.0443 0.0000 ( 5635 PWs) bands (ev): -38.2266 -38.2266 -38.0873 -38.0873 -12.6222 -12.6222 -11.6224 -11.6224 0.0375 0.0375 1.4346 1.4346 1.5093 1.5093 2.9439 2.9439 3.8351 3.8351 3.9176 3.9176 4.6464 4.6464 5.0237 5.0237 5.6672 5.6672 6.2122 6.2122 7.7357 7.7357 9.4792 9.4792 12.3153 12.3153 16.4257 16.4257 k = 0.0714 0.0369 0.0000 ( 5627 PWs) bands (ev): -38.2266 -38.2266 -38.0873 -38.0873 -12.6262 -12.6262 -11.6171 -11.6171 0.0250 0.0250 1.4305 1.4305 1.5081 1.5081 2.9486 2.9486 3.8576 3.8576 3.9290 3.9290 4.6401 4.6401 5.0291 5.0291 5.6671 5.6671 6.2054 6.2054 7.7270 7.7270 9.4598 9.4598 12.3143 12.3143 16.4284 16.4284 k = 0.0571 0.0295 0.0000 ( 5631 PWs) bands (ev): -38.2266 -38.2266 -38.0873 -38.0873 -12.6294 -12.6294 -11.6127 -11.6127 0.0147 0.0147 1.4271 1.4271 1.5072 1.5072 2.9525 2.9525 3.8763 3.8763 3.9388 3.9388 4.6343 4.6343 5.0337 5.0337 5.6671 5.6671 6.1997 6.1997 7.7198 7.7198 9.4438 9.4438 12.3136 12.3136 16.4306 16.4306 k = 0.0429 0.0221 0.0000 ( 5639 PWs) bands (ev): -38.2266 -38.2266 -38.0873 -38.0873 -12.6319 -12.6319 -11.6092 -11.6092 0.0066 0.0066 1.4244 1.4244 1.5064 1.5064 2.9555 2.9555 3.8910 3.8910 3.9468 3.9468 4.6294 4.6294 5.0373 5.0373 5.6670 5.6670 6.1953 6.1953 7.7141 7.7141 9.4312 9.4312 12.3130 12.3130 16.4324 16.4324 k = 0.0286 0.0148 0.0000 ( 5627 PWs) bands (ev): -38.2266 -38.2266 -38.0873 -38.0873 -12.6337 -12.6337 -11.6068 -11.6068 0.0008 0.0008 1.4225 1.4225 1.5059 1.5059 2.9577 2.9577 3.9015 3.9015 3.9528 3.9528 4.6257 4.6257 5.0400 5.0400 5.6670 5.6670 6.1920 6.1920 7.7100 7.7100 9.4222 9.4222 12.3126 12.3126 16.4336 16.4336 k = 0.0143 0.0074-0.0000 ( 5625 PWs) bands (ev): -38.2266 -38.2266 -38.0873 -38.0873 -12.6348 -12.6348 -11.6053 -11.6053 -0.0027 -0.0027 1.4213 1.4213 1.5056 1.5056 2.9591 2.9591 3.9078 3.9078 3.9565 3.9565 4.6234 4.6234 5.0416 5.0416 5.6670 5.6670 6.1901 6.1901 7.7075 7.7075 9.4167 9.4167 12.3124 12.3124 16.4343 16.4343 k = 0.0000 0.0000 0.0000 ( 5625 PWs) bands (ev): -38.2266 -38.2266 -38.0873 -38.0873 -12.6352 -12.6352 -11.6048 -11.6048 -0.0038 -0.0038 1.4209 1.4209 1.5054 1.5054 2.9595 2.9595 3.9099 3.9099 3.9577 3.9577 4.6226 4.6226 5.0422 5.0422 5.6670 5.6670 6.1895 6.1895 7.7067 7.7067 9.4149 9.4149 12.3123 12.3123 16.4346 16.4346 k = 0.0000 0.0000 0.0000 ( 5625 PWs) bands (ev): -38.2266 -38.2266 -38.0873 -38.0873 -12.6352 -12.6352 -11.6048 -11.6048 -0.0038 -0.0038 1.4209 1.4209 1.5054 1.5054 2.9595 2.9595 3.9099 3.9099 3.9577 3.9577 4.6226 4.6226 5.0422 5.0422 5.6670 5.6670 6.1895 6.1895 7.7067 7.7067 9.4149 9.4149 12.3123 12.3123 16.4346 16.4346 k = 0.0059-0.0113 0.0095 ( 5627 PWs) bands (ev): -38.2266 -38.2266 -38.0874 -38.0874 -12.6351 -12.6351 -11.6049 -11.6049 -0.0036 -0.0036 1.4211 1.4211 1.5053 1.5053 2.9572 2.9572 3.9100 3.9100 3.9577 3.9577 4.6250 4.6250 5.0424 5.0424 5.6669 5.6669 6.1896 6.1896 7.7068 7.7068 9.4157 9.4157 12.3141 12.3141 16.3945 16.3945 k = 0.0117-0.0227 0.0190 ( 5627 PWs) bands (ev): -38.2264 -38.2264 -38.0875 -38.0875 -12.6349 -12.6349 -11.6055 -11.6055 -0.0028 -0.0028 1.4214 1.4214 1.5050 1.5050 2.9501 2.9501 3.9103 3.9103 3.9575 3.9575 4.6320 4.6320 5.0430 5.0430 5.6668 5.6668 6.1901 6.1901 7.7073 7.7073 9.4180 9.4180 12.3193 12.3193 16.2978 16.2978 k = 0.0176-0.0340 0.0284 ( 5619 PWs) bands (ev): -38.2262 -38.2262 -38.0877 -38.0877 -12.6346 -12.6346 -11.6063 -11.6063 -0.0014 -0.0014 1.4219 1.4219 1.5045 1.5045 2.9386 2.9386 3.9108 3.9108 3.9572 3.9572 4.6435 4.6435 5.0441 5.0441 5.6666 5.6666 6.1909 6.1909 7.7080 7.7080 9.4220 9.4220 12.3281 12.3281 16.1756 16.1756 k = 0.0234-0.0454 0.0379 ( 5619 PWs) bands (ev): -38.2258 -38.2258 -38.0880 -38.0880 -12.6341 -12.6341 -11.6075 -11.6075 0.0004 0.0004 1.4227 1.4227 1.5037 1.5037 2.9227 2.9227 3.9114 3.9114 3.9568 3.9568 4.6592 4.6592 5.0457 5.0457 5.6662 5.6662 6.1921 6.1921 7.7090 7.7090 9.4274 9.4274 12.3403 12.3403 16.0427 16.0427 k = 0.0293-0.0567 0.0474 ( 5621 PWs) bands (ev): -38.2254 -38.2254 -38.0884 -38.0884 -12.6335 -12.6335 -11.6091 -11.6091 0.0028 0.0028 1.4237 1.4237 1.5028 1.5028 2.9029 2.9029 3.9122 3.9122 3.9563 3.9563 4.6787 4.6787 5.0479 5.0479 5.6659 5.6659 6.1936 6.1936 7.7103 7.7103 9.4344 9.4344 12.3561 12.3561 15.9050 15.9050 k = 0.0352-0.0681 0.0569 ( 5617 PWs) bands (ev): -38.2249 -38.2249 -38.0889 -38.0889 -12.6328 -12.6328 -11.6109 -11.6109 0.0057 0.0057 1.4248 1.4248 1.5018 1.5018 2.8794 2.8794 3.9130 3.9130 3.9558 3.9558 4.7014 4.7014 5.0508 5.0508 5.6654 5.6654 6.1954 6.1954 7.7119 7.7119 9.4430 9.4430 12.3754 12.3754 15.7653 15.7653 k = 0.0410-0.0794 0.0664 ( 5613 PWs) bands (ev): -38.2242 -38.2242 -38.0895 -38.0895 -12.6319 -12.6319 -11.6131 -11.6131 0.0091 0.0091 1.4262 1.4262 1.5006 1.5006 2.8528 2.8528 3.9138 3.9138 3.9551 3.9551 4.7268 4.7268 5.0547 5.0547 5.6649 5.6649 6.1976 6.1976 7.7137 7.7137 9.4530 9.4530 12.3982 12.3982 15.6250 15.6250 k = 0.0469-0.0908 0.0758 ( 5617 PWs) bands (ev): -38.2235 -38.2235 -38.0902 -38.0902 -12.6309 -12.6309 -11.6157 -11.6157 0.0130 0.0130 1.4278 1.4278 1.4994 1.4994 2.8232 2.8232 3.9145 3.9145 3.9544 3.9544 4.7542 4.7542 5.0599 5.0599 5.6643 5.6643 6.2002 6.2002 7.7158 7.7158 9.4645 9.4645 12.4245 12.4245 15.4849 15.4849 k = 0.0527-0.1021 0.0853 ( 5617 PWs) bands (ev): -38.2227 -38.2227 -38.0909 -38.0909 -12.6298 -12.6298 -11.6185 -11.6185 0.0173 0.0173 1.4296 1.4296 1.4982 1.4982 2.7913 2.7913 3.9150 3.9150 3.9536 3.9536 4.7827 4.7827 5.0666 5.0666 5.6636 5.6636 6.2031 6.2031 7.7183 7.7183 9.4775 9.4775 12.4544 12.4544 15.3455 15.3455 k = 0.0586-0.1135 0.0948 ( 5621 PWs) bands (ev): -38.2218 -38.2218 -38.0918 -38.0918 -12.6285 -12.6285 -11.6216 -11.6216 0.0221 0.0221 1.4316 1.4316 1.4969 1.4969 2.7572 2.7572 3.9153 3.9153 3.9528 3.9528 4.8115 4.8115 5.0755 5.0755 5.6630 5.6630 6.2063 6.2063 7.7209 7.7209 9.4918 9.4918 12.4878 12.4878 15.2073 15.2073 k = 0.0645-0.1248 0.1043 ( 5621 PWs) bands (ev): -38.2208 -38.2208 -38.0927 -38.0927 -12.6271 -12.6271 -11.6251 -11.6251 0.0274 0.0274 1.4338 1.4338 1.4958 1.4958 2.7214 2.7214 3.9152 3.9152 3.9520 3.9520 4.8395 4.8395 5.0871 5.0871 5.6623 5.6623 6.2099 6.2099 7.7239 7.7239 9.5074 9.5074 12.5248 12.5248 15.0705 15.0705 k = 0.0703-0.1361 0.1138 ( 5621 PWs) bands (ev): -38.2197 -38.2197 -38.0937 -38.0937 -12.6256 -12.6256 -11.6288 -11.6288 0.0330 0.0330 1.4362 1.4362 1.4948 1.4948 2.6843 2.6843 3.9147 3.9147 3.9510 3.9510 4.8657 4.8657 5.1024 5.1024 5.6616 5.6616 6.2139 6.2139 7.7271 7.7271 9.5244 9.5244 12.5653 12.5653 14.9354 14.9354 k = 0.0762-0.1475 0.1232 ( 5623 PWs) bands (ev): -38.2185 -38.2185 -38.0948 -38.0948 -12.6239 -12.6239 -11.6328 -11.6328 0.0390 0.0390 1.4387 1.4387 1.4940 1.4940 2.6460 2.6460 3.9138 3.9138 3.9500 3.9500 4.8889 4.8889 5.1218 5.1218 5.6610 5.6610 6.2182 6.2182 7.7306 7.7306 9.5425 9.5425 12.6094 12.6094 14.8022 14.8022 k = 0.0820-0.1588 0.1327 ( 5617 PWs) bands (ev): -38.2172 -38.2172 -38.0960 -38.0960 -12.6221 -12.6221 -11.6371 -11.6371 0.0454 0.0454 1.4414 1.4414 1.4934 1.4934 2.6070 2.6070 3.9125 3.9125 3.9488 3.9488 4.9085 4.9085 5.1458 5.1458 5.6604 5.6604 6.2229 6.2229 7.7343 7.7343 9.5618 9.5618 12.6570 12.6570 14.6711 14.6711 k = 0.0879-0.1702 0.1422 ( 5617 PWs) bands (ev): -38.2159 -38.2159 -38.0972 -38.0972 -12.6202 -12.6202 -11.6416 -11.6416 0.0521 0.0521 1.4443 1.4443 1.4931 1.4931 2.5674 2.5674 3.9107 3.9107 3.9473 3.9473 4.9245 4.9245 5.1742 5.1742 5.6600 5.6600 6.2279 6.2279 7.7382 7.7382 9.5821 9.5821 12.7081 12.7081 14.5423 14.5423 k = 0.0938-0.1815 0.1517 ( 5617 PWs) bands (ev): -38.2144 -38.2144 -38.0985 -38.0985 -12.6181 -12.6181 -11.6464 -11.6464 0.0591 0.0591 1.4473 1.4473 1.4931 1.4931 2.5275 2.5275 3.9084 3.9084 3.9456 3.9456 4.9370 4.9370 5.2064 5.2064 5.6597 5.6597 6.2333 6.2333 7.7424 7.7424 9.6033 9.6033 12.7628 12.7628 14.4160 14.4160 k = 0.0996-0.1929 0.1612 ( 5603 PWs) bands (ev): -38.2129 -38.2129 -38.1000 -38.1000 -12.6160 -12.6160 -11.6513 -11.6513 0.0664 0.0664 1.4505 1.4505 1.4936 1.4936 2.4875 2.4875 3.9057 3.9057 3.9434 3.9434 4.9467 4.9467 5.2415 5.2415 5.6596 5.6596 6.2390 6.2390 7.7469 7.7469 9.6253 9.6253 12.8211 12.8211 14.2924 14.2924 k = 0.1055-0.2042 0.1707 ( 5603 PWs) bands (ev): -38.2113 -38.2113 -38.1014 -38.1014 -12.6136 -12.6136 -11.6565 -11.6565 0.0739 0.0739 1.4539 1.4539 1.4945 1.4945 2.4476 2.4476 3.9025 3.9025 3.9408 3.9408 4.9542 4.9542 5.2785 5.2785 5.6599 5.6599 6.2450 6.2450 7.7515 7.7515 9.6479 9.6479 12.8828 12.8828 14.1718 14.1718 k = 0.1113-0.2156 0.1801 ( 5601 PWs) bands (ev): -38.2097 -38.2097 -38.1030 -38.1030 -12.6112 -12.6112 -11.6620 -11.6620 0.0815 0.0815 1.4573 1.4573 1.4959 1.4959 2.4080 2.4080 3.8989 3.8989 3.9377 3.9377 4.9600 4.9600 5.3167 5.3167 5.6607 5.6607 6.2514 6.2514 7.7564 7.7564 9.6710 9.6710 12.9480 12.9480 14.0545 14.0545 k = 0.1172-0.2269 0.1896 ( 5591 PWs) bands (ev): -38.2079 -38.2079 -38.1046 -38.1046 -12.6086 -12.6086 -11.6675 -11.6675 0.0894 0.0894 1.4610 1.4610 1.4979 1.4979 2.3689 2.3689 3.8949 3.8949 3.9339 3.9339 4.9646 4.9646 5.3553 5.3553 5.6621 5.6621 6.2580 6.2580 7.7615 7.7615 9.6944 9.6944 13.0167 13.0167 13.9407 13.9407 k = 0.1231-0.2383 0.1991 ( 5593 PWs) bands (ev): -38.2061 -38.2061 -38.1063 -38.1063 -12.6059 -12.6059 -11.6733 -11.6733 0.0973 0.0973 1.4647 1.4647 1.5004 1.5004 2.3303 2.3303 3.8905 3.8905 3.9295 3.9295 4.9682 4.9682 5.3935 5.3935 5.6645 5.6645 6.2649 6.2649 7.7668 7.7668 9.7178 9.7178 13.0888 13.0888 13.8307 13.8307 k = 0.1289-0.2496 0.2086 ( 5597 PWs) bands (ev): -38.2042 -38.2042 -38.1081 -38.1081 -12.6031 -12.6031 -11.6792 -11.6792 0.1053 0.1053 1.4685 1.4685 1.5036 1.5036 2.2925 2.2925 3.8857 3.8857 3.9245 3.9245 4.9711 4.9711 5.4304 5.4304 5.6683 5.6683 6.2721 6.2721 7.7723 7.7723 9.7410 9.7410 13.1643 13.1643 13.7249 13.7249 k = 0.1348-0.2609 0.2181 ( 5601 PWs) bands (ev): -38.2023 -38.2023 -38.1099 -38.1099 -12.6002 -12.6002 -11.6853 -11.6853 0.1133 0.1133 1.4725 1.4725 1.5074 1.5074 2.2555 2.2555 3.8804 3.8804 3.9187 3.9187 4.9734 4.9734 5.4651 5.4651 5.6740 5.6740 6.2795 6.2795 7.7779 7.7779 9.7637 9.7637 13.2431 13.2431 13.6237 13.6237 k = 0.1406-0.2723 0.2275 ( 5601 PWs) bands (ev): -38.2003 -38.2003 -38.1118 -38.1118 -12.5971 -12.5971 -11.6915 -11.6915 0.1212 0.1212 1.4765 1.4765 1.5120 1.5120 2.2195 2.2195 3.8747 3.8747 3.9123 3.9123 4.9752 4.9752 5.4966 5.4966 5.6827 5.6827 6.2870 6.2870 7.7838 7.7838 9.7857 9.7857 13.3250 13.3250 13.5274 13.5274 k = 0.1465-0.2836 0.2370 ( 5603 PWs) bands (ev): -38.1982 -38.1982 -38.1137 -38.1137 -12.5939 -12.5939 -11.6978 -11.6978 0.1291 0.1291 1.4806 1.4806 1.5173 1.5173 2.1846 2.1846 3.8685 3.8685 3.9052 3.9052 4.9768 4.9768 5.5235 5.5235 5.6952 5.6952 6.2948 6.2948 7.7898 7.7898 9.8066 9.8066 13.4078 13.4078 13.4388 13.4388 k = 0.1524-0.2950 0.2465 ( 5607 PWs) bands (ev): -38.1961 -38.1961 -38.1158 -38.1158 -12.5906 -12.5906 -11.7042 -11.7042 0.1369 0.1369 1.4848 1.4848 1.5234 1.5234 2.1510 2.1510 3.8617 3.8617 3.8975 3.8975 4.9780 4.9780 5.5451 5.5451 5.7122 5.7122 6.3027 6.3027 7.7959 7.7959 9.8261 9.8261 13.3499 13.3499 13.5000 13.5000 k = 0.1582-0.3063 0.2560 ( 5605 PWs) bands (ev): -38.1940 -38.1940 -38.1178 -38.1178 -12.5872 -12.5872 -11.7106 -11.7106 0.1445 0.1445 1.4891 1.4891 1.5302 1.5302 2.1186 2.1186 3.8544 3.8544 3.8893 3.8893 4.9790 4.9790 5.5611 5.5611 5.7338 5.7338 6.3107 6.3107 7.8022 7.8022 9.8438 9.8438 13.2710 13.2710 13.5913 13.5913 k = 0.1641-0.3177 0.2655 ( 5605 PWs) bands (ev): -38.1917 -38.1917 -38.1199 -38.1199 -12.5836 -12.5836 -11.7172 -11.7172 0.1519 0.1519 1.4934 1.4934 1.5379 1.5379 2.0876 2.0876 3.8463 3.8463 3.8806 3.8806 4.9799 4.9799 5.5723 5.5723 5.7588 5.7588 6.3188 6.3188 7.8087 7.8087 9.8593 9.8593 13.1985 13.1985 13.6858 13.6858 k = 0.1699-0.3290 0.2749 ( 5609 PWs) bands (ev): -38.1895 -38.1895 -38.1221 -38.1221 -12.5800 -12.5800 -11.7238 -11.7238 0.1590 0.1590 1.4978 1.4978 1.5464 1.5464 2.0581 2.0581 3.8374 3.8374 3.8716 3.8716 4.9806 4.9806 5.5800 5.5800 5.7861 5.7861 6.3270 6.3270 7.8153 7.8153 9.8724 9.8724 13.1332 13.1332 13.7833 13.7833 k = 0.1758-0.3404 0.2844 ( 5611 PWs) bands (ev): -38.1872 -38.1872 -38.1243 -38.1243 -12.5762 -12.5762 -11.7304 -11.7304 0.1658 0.1658 1.5023 1.5023 1.5558 1.5558 2.0301 2.0301 3.8275 3.8275 3.8625 3.8625 4.9811 4.9811 5.5852 5.5852 5.8143 5.8143 6.3352 6.3352 7.8219 7.8219 9.8826 9.8826 13.0754 13.0754 13.8836 13.8836 k = 0.1817-0.3517 0.2939 ( 5601 PWs) bands (ev): -38.1848 -38.1848 -38.1266 -38.1266 -12.5724 -12.5724 -11.7371 -11.7371 0.1724 0.1724 1.5067 1.5067 1.5661 1.5661 2.0037 2.0037 3.8166 3.8166 3.8534 3.8534 4.9816 4.9816 5.5887 5.5887 5.8426 5.8426 6.3434 6.3434 7.8287 7.8287 9.8897 9.8897 13.0256 13.0256 13.9867 13.9867 k = 0.1875-0.3631 0.3034 ( 5601 PWs) bands (ev): -38.1824 -38.1824 -38.1289 -38.1289 -12.5684 -12.5684 -11.7437 -11.7437 0.1786 0.1786 1.5112 1.5112 1.5772 1.5772 1.9789 1.9789 3.8047 3.8047 3.8442 3.8442 4.9819 4.9819 5.5910 5.5910 5.8701 5.8701 6.3515 6.3515 7.8356 7.8356 9.8934 9.8934 12.9842 12.9842 14.0922 14.0922 k = 0.1934-0.3744 0.3129 ( 5605 PWs) bands (ev): -38.1800 -38.1800 -38.1312 -38.1312 -12.5644 -12.5644 -11.7504 -11.7504 0.1844 0.1844 1.5157 1.5157 1.5892 1.5892 1.9558 1.9558 3.7917 3.7917 3.8352 3.8352 4.9822 4.9822 5.5926 5.5926 5.8963 5.8963 6.3596 6.3596 7.8426 7.8426 9.8935 9.8935 12.9515 12.9515 14.2003 14.2003 k = 0.1992-0.3857 0.3223 ( 5601 PWs) bands (ev): -38.1775 -38.1775 -38.1336 -38.1336 -12.5602 -12.5602 -11.7570 -11.7570 0.1898 0.1898 1.5202 1.5202 1.6021 1.6021 1.9344 1.9344 3.7777 3.7777 3.8262 3.8262 4.9824 4.9824 5.5937 5.5937 5.9210 5.9210 6.3676 6.3676 7.8496 7.8496 9.8901 9.8901 12.9278 12.9278 14.3106 14.3106 k = 0.2051-0.3971 0.3318 ( 5601 PWs) bands (ev): -38.1751 -38.1751 -38.1360 -38.1360 -12.5559 -12.5559 -11.7636 -11.7636 0.1949 0.1949 1.5246 1.5246 1.6159 1.6159 1.9147 1.9147 3.7628 3.7628 3.8172 3.8172 4.9826 4.9826 5.5945 5.5945 5.9437 5.9437 6.3754 6.3754 7.8567 7.8567 9.8831 9.8831 12.9130 12.9130 14.4230 14.4230 k = 0.2110-0.4084 0.3413 ( 5603 PWs) bands (ev): -38.1726 -38.1726 -38.1385 -38.1385 -12.5516 -12.5516 -11.7702 -11.7702 0.1995 0.1995 1.5291 1.5291 1.6306 1.6306 1.8967 1.8967 3.7470 3.7470 3.8082 3.8082 4.9827 4.9827 5.5950 5.5950 5.9642 5.9642 6.3831 6.3831 7.8638 7.8638 9.8726 9.8726 12.9074 12.9074 14.5375 14.5375 k = 0.2168-0.4198 0.3508 ( 5603 PWs) bands (ev): -38.1701 -38.1701 -38.1409 -38.1409 -12.5472 -12.5472 -11.7767 -11.7767 0.2038 0.2038 1.5335 1.5335 1.6461 1.6461 1.8804 1.8804 3.7305 3.7305 3.7992 3.7992 4.9828 4.9828 5.5953 5.5953 5.9822 5.9822 6.3906 6.3906 7.8710 7.8710 9.8589 9.8589 12.9107 12.9107 14.6536 14.6536 k = 0.2227-0.4311 0.3603 ( 5607 PWs) bands (ev): -38.1675 -38.1675 -38.1434 -38.1434 -12.5427 -12.5427 -11.7831 -11.7831 0.2078 0.2078 1.5379 1.5379 1.6626 1.6626 1.8657 1.8657 3.7133 3.7133 3.7900 3.7900 4.9828 4.9828 5.5956 5.5956 5.9976 5.9976 6.3979 6.3979 7.8782 7.8782 9.8425 9.8425 12.9229 12.9229 14.7712 14.7712 k = 0.2285-0.4425 0.3697 ( 5611 PWs) bands (ev): -38.1650 -38.1650 -38.1459 -38.1459 -12.5381 -12.5381 -11.7895 -11.7895 0.2114 0.2114 1.5423 1.5423 1.6798 1.6798 1.8527 1.8527 3.6955 3.6955 3.7808 3.7808 4.9827 4.9827 5.5958 5.5958 6.0101 6.0101 6.4050 6.4050 7.8854 7.8854 9.8236 9.8236 12.9435 12.9435 14.8900 14.8900 k = 0.2344-0.4538 0.3792 ( 5607 PWs) bands (ev): -38.1624 -38.1624 -38.1485 -38.1485 -12.5335 -12.5335 -11.7958 -11.7958 0.2148 0.2148 1.5466 1.5466 1.6979 1.6979 1.8412 1.8412 3.6772 3.6772 3.7715 3.7715 4.9827 4.9827 5.5959 5.5959 6.0197 6.0197 6.4117 6.4117 7.8926 7.8926 9.8029 9.8029 12.9723 12.9723 15.0091 15.0091 k = 0.2403-0.4652 0.3887 ( 5607 PWs) bands (ev): -38.1599 -38.1599 -38.1510 -38.1510 -12.5288 -12.5288 -11.8020 -11.8020 0.2179 0.2179 1.5509 1.5509 1.7168 1.7168 1.8312 1.8312 3.6584 3.6584 3.7621 3.7621 4.9826 4.9826 5.5960 5.5960 6.0260 6.0260 6.4182 6.4182 7.8998 7.8998 9.7810 9.7810 13.0088 13.0088 15.1266 15.1266 k = 0.2461-0.4765 0.3982 ( 5611 PWs) bands (ev): -38.1573 -38.1573 -38.1536 -38.1536 -12.5241 -12.5241 -11.8080 -11.8080 0.2209 0.2209 1.5551 1.5551 1.7365 1.7365 1.8227 1.8227 3.6392 3.6392 3.7526 3.7526 4.9824 4.9824 5.5961 5.5961 6.0290 6.0290 6.4244 6.4244 7.9070 7.9070 9.7583 9.7583 13.0527 13.0527 15.2316 15.2316 k = 0.2520-0.4879 0.4077 ( 5611 PWs) bands (ev): -38.1561 -38.1561 -38.1547 -38.1547 -12.5193 -12.5193 -11.8140 -11.8140 0.2237 0.2237 1.5593 1.5593 1.7570 1.7570 1.8156 1.8156 3.6197 3.6197 3.7429 3.7429 4.9823 4.9823 5.5962 5.5962 6.0285 6.0285 6.4303 6.4303 7.9141 7.9141 9.7356 9.7356 13.1034 13.1034 15.2475 15.2475 k = 0.2578-0.4992 0.4171 ( 5619 PWs) bands (ev): -38.1587 -38.1587 -38.1522 -38.1522 -12.5144 -12.5144 -11.8199 -11.8199 0.2265 0.2265 1.5634 1.5634 1.7780 1.7780 1.8098 1.8098 3.5999 3.5999 3.7332 3.7332 4.9820 4.9820 5.5963 5.5963 6.0245 6.0245 6.4359 6.4359 7.9212 7.9212 9.7134 9.7134 13.1605 13.1605 15.1702 15.1702 k = 0.2637-0.5105 0.4266 ( 5621 PWs) bands (ev): -38.1613 -38.1613 -38.1496 -38.1496 -12.5096 -12.5096 -11.8256 -11.8256 0.2293 0.2293 1.5674 1.5674 1.7981 1.7981 1.8069 1.8069 3.5798 3.5798 3.7234 3.7234 4.9818 4.9818 5.5964 5.5964 6.0168 6.0168 6.4412 6.4412 7.9283 7.9283 9.6922 9.6922 13.2235 13.2235 15.0781 15.0781 k = 0.2696-0.5219 0.4361 ( 5613 PWs) bands (ev): -38.1638 -38.1638 -38.1471 -38.1471 -12.5047 -12.5047 -11.8311 -11.8311 0.2323 0.2323 1.5713 1.5713 1.8000 1.8000 1.8239 1.8239 3.5595 3.5595 3.7135 3.7135 4.9815 4.9815 5.5964 5.5964 6.0054 6.0054 6.4462 6.4462 7.9352 7.9352 9.6727 9.6727 13.2920 13.2920 14.9828 14.9828 k = 0.2754-0.5332 0.4456 ( 5623 PWs) bands (ev): -38.1664 -38.1664 -38.1446 -38.1446 -12.4998 -12.4998 -11.8366 -11.8366 0.2354 0.2354 1.5751 1.5751 1.7974 1.7974 1.8469 1.8469 3.5390 3.5390 3.7036 3.7036 4.9812 4.9812 5.5964 5.5964 5.9903 5.9903 6.4509 6.4509 7.9421 7.9421 9.6552 9.6552 13.3655 13.3655 14.8864 14.8864 k = 0.2813-0.5446 0.4551 ( 5623 PWs) bands (ev): -38.1689 -38.1689 -38.1421 -38.1421 -12.4948 -12.4948 -11.8419 -11.8419 0.2388 0.2388 1.5789 1.5789 1.7954 1.7954 1.8707 1.8707 3.5185 3.5185 3.6936 3.6936 4.9809 4.9809 5.5962 5.5962 5.9716 5.9716 6.4554 6.4554 7.9490 7.9490 9.6402 9.6402 13.4436 13.4436 14.7895 14.7895 k = 0.2871-0.5559 0.4646 ( 5615 PWs) bands (ev): -38.1714 -38.1714 -38.1396 -38.1396 -12.4899 -12.4899 -11.8470 -11.8470 0.2425 0.2425 1.5826 1.5826 1.7940 1.7940 1.8953 1.8953 3.4979 3.4979 3.6835 3.6835 4.9805 4.9805 5.5958 5.5958 5.9493 5.9493 6.4595 6.4595 7.9557 7.9557 9.6280 9.6280 13.5260 13.5260 14.6926 14.6926 k = 0.2930-0.5673 0.4740 ( 5622 PWs) bands (ev): -38.1739 -38.1739 -38.1372 -38.1372 -12.4850 -12.4850 -11.8520 -11.8520 0.2467 0.2467 1.5861 1.5861 1.7931 1.7931 1.9204 1.9204 3.4772 3.4772 3.6735 3.6735 4.9801 4.9801 5.5952 5.5952 5.9236 5.9236 6.4635 6.4635 7.9623 7.9623 9.6188 9.6188 13.6122 13.6122 14.5958 14.5958 k = 0.2930-0.5673 0.4740 ( 5622 PWs) bands (ev): -38.1739 -38.1739 -38.1372 -38.1372 -12.4850 -12.4850 -11.8520 -11.8520 0.2467 0.2467 1.5861 1.5861 1.7931 1.7931 1.9204 1.9204 3.4772 3.4772 3.6735 3.6735 4.9801 4.9801 5.5952 5.5952 5.9236 5.9236 6.4635 6.4635 7.9623 7.9623 9.6188 9.6188 13.6122 13.6122 14.5958 14.5958 k = 0.3039-0.5561 0.4704 ( 5619 PWs) bands (ev): -38.1729 -38.1729 -38.1381 -38.1381 -12.4870 -12.4870 -11.8500 -11.8500 0.2451 0.2451 1.5847 1.5847 1.7867 1.7867 1.9170 1.9170 3.4855 3.4855 3.6776 3.6776 4.9803 4.9803 5.5955 5.5955 5.9339 5.9339 6.4617 6.4617 7.9596 7.9596 9.6224 9.6224 13.5771 13.5771 14.6336 14.6336 k = 0.3148-0.5449 0.4667 ( 5615 PWs) bands (ev): -38.1720 -38.1720 -38.1390 -38.1390 -12.4892 -12.4892 -11.8476 -11.8476 0.2439 0.2439 1.5830 1.5830 1.7688 1.7688 1.9250 1.9250 3.4942 3.4942 3.6821 3.6821 4.9803 4.9803 5.5957 5.5957 5.9439 5.9439 6.4595 6.4595 7.9566 7.9566 9.6272 9.6272 13.5404 13.5404 14.6721 14.6721 k = 0.3257-0.5337 0.4631 ( 5615 PWs) bands (ev): -38.1710 -38.1710 -38.1400 -38.1400 -12.4917 -12.4917 -11.8450 -11.8450 0.2429 0.2429 1.5811 1.5811 1.7442 1.7442 1.9395 1.9395 3.5033 3.5033 3.6869 3.6869 4.9804 4.9804 5.5959 5.5959 5.9533 5.9533 6.4568 6.4568 7.9533 7.9533 9.6331 9.6331 13.5027 13.5027 14.7109 14.7109 k = 0.3366-0.5226 0.4594 ( 5611 PWs) bands (ev): -38.1700 -38.1700 -38.1409 -38.1409 -12.4942 -12.4942 -11.8422 -11.8422 0.2423 0.2423 1.5792 1.5792 1.7165 1.7165 1.9569 1.9569 3.5125 3.5125 3.6920 3.6920 4.9803 4.9803 5.5960 5.5960 5.9623 5.9623 6.4538 6.4538 7.9499 7.9499 9.6399 9.6399 13.4647 13.4647 14.7497 14.7497 k = 0.3475-0.5114 0.4557 ( 5613 PWs) bands (ev): -38.1691 -38.1691 -38.1419 -38.1419 -12.4969 -12.4969 -11.8394 -11.8394 0.2421 0.2421 1.5771 1.5771 1.6879 1.6879 1.9755 1.9755 3.5218 3.5218 3.6972 3.6972 4.9803 4.9803 5.5961 5.5961 5.9707 5.9707 6.4504 6.4504 7.9463 7.9463 9.6476 9.6476 13.4269 13.4269 14.7883 14.7883 k = 0.3584-0.5002 0.4521 ( 5613 PWs) bands (ev): -38.1681 -38.1681 -38.1428 -38.1428 -12.4995 -12.4995 -11.8364 -11.8364 0.2421 0.2421 1.5749 1.5749 1.6592 1.6592 1.9942 1.9942 3.5310 3.5310 3.7025 3.7025 4.9801 4.9801 5.5961 5.5961 5.9786 5.9786 6.4469 6.4469 7.9427 7.9427 9.6560 9.6560 13.3898 13.3898 14.8267 14.8267 k = 0.3693-0.4890 0.4484 ( 5602 PWs) bands (ev): -38.1671 -38.1671 -38.1438 -38.1438 -12.5022 -12.5022 -11.8334 -11.8334 0.2425 0.2425 1.5727 1.5727 1.6313 1.6313 2.0126 2.0126 3.5400 3.5400 3.7078 3.7078 4.9800 4.9800 5.5961 5.5961 5.9859 5.9859 6.4432 6.4432 7.9390 7.9390 9.6648 9.6648 13.3539 13.3539 14.8648 14.8648 k = 0.3802-0.4779 0.4447 ( 5602 PWs) bands (ev): -38.1661 -38.1661 -38.1448 -38.1448 -12.5048 -12.5048 -11.8305 -11.8305 0.2431 0.2431 1.5704 1.5704 1.6046 1.6046 2.0302 2.0302 3.5486 3.5486 3.7130 3.7130 4.9798 4.9798 5.5961 5.5961 5.9926 5.9926 6.4395 6.4395 7.9354 7.9354 9.6739 9.6739 13.3194 13.3194 14.9026 14.9026 k = 0.3910-0.4667 0.4411 ( 5597 PWs) bands (ev): -38.1652 -38.1652 -38.1457 -38.1457 -12.5073 -12.5073 -11.8277 -11.8277 0.2439 0.2439 1.5669 1.5669 1.5804 1.5804 2.0468 2.0468 3.5569 3.5569 3.7181 3.7181 4.9795 4.9795 5.5960 5.5960 5.9987 5.9987 6.4358 6.4358 7.9318 7.9318 9.6831 9.6831 13.2868 13.2868 14.9401 14.9401 k = 0.4019-0.4555 0.4374 ( 5598 PWs) bands (ev): -38.1642 -38.1642 -38.1467 -38.1467 -12.5096 -12.5096 -11.8250 -11.8250 0.2449 0.2449 1.5525 1.5525 1.5688 1.5688 2.0623 2.0623 3.5646 3.5646 3.7229 3.7229 4.9793 4.9793 5.5960 5.5960 6.0042 6.0042 6.4322 6.4322 7.9285 7.9285 9.6921 9.6921 13.2563 13.2563 14.9774 14.9774 k = 0.4128-0.4443 0.4338 ( 5599 PWs) bands (ev): -38.1632 -38.1632 -38.1476 -38.1476 -12.5118 -12.5118 -11.8225 -11.8225 0.2460 0.2460 1.5314 1.5314 1.5661 1.5661 2.0765 2.0765 3.5717 3.5717 3.7274 3.7274 4.9790 4.9790 5.5959 5.5959 6.0091 6.0091 6.4288 6.4288 7.9253 7.9253 9.7009 9.7009 13.2282 13.2282 15.0146 15.0146 k = 0.4237-0.4332 0.4301 ( 5595 PWs) bands (ev): -38.1622 -38.1622 -38.1486 -38.1486 -12.5139 -12.5139 -11.8201 -11.8201 0.2472 0.2472 1.5117 1.5117 1.5642 1.5642 2.0893 2.0893 3.5782 3.5782 3.7315 3.7315 4.9787 4.9787 5.5958 5.5958 6.0133 6.0133 6.4257 6.4257 7.9224 7.9224 9.7091 9.7091 13.2028 13.2028 15.0517 15.0517 k = 0.4346-0.4220 0.4264 ( 5594 PWs) bands (ev): -38.1613 -38.1613 -38.1496 -38.1496 -12.5157 -12.5157 -11.8181 -11.8181 0.2483 0.2483 1.4941 1.4941 1.5626 1.5626 2.1006 2.1006 3.5840 3.5840 3.7353 3.7353 4.9785 4.9785 5.5957 5.5957 6.0169 6.0169 6.4229 6.4229 7.9198 7.9198 9.7166 9.7166 13.1804 13.1804 15.0888 15.0888 k = 0.4455-0.4108 0.4228 ( 5589 PWs) bands (ev): -38.1603 -38.1603 -38.1505 -38.1505 -12.5172 -12.5172 -11.8163 -11.8163 0.2495 0.2495 1.4789 1.4789 1.5612 1.5612 2.1103 2.1103 3.5890 3.5890 3.7385 3.7385 4.9782 4.9782 5.5957 5.5957 6.0200 6.0200 6.4204 6.4204 7.9175 7.9175 9.7233 9.7233 13.1610 13.1610 15.1262 15.1262 k = 0.4564-0.3996 0.4191 ( 5587 PWs) bands (ev): -38.1593 -38.1593 -38.1515 -38.1515 -12.5185 -12.5185 -11.8148 -11.8148 0.2505 0.2505 1.4663 1.4663 1.5601 1.5601 2.1184 2.1184 3.5931 3.5931 3.7412 3.7412 4.9780 4.9780 5.5956 5.5956 6.0224 6.0224 6.4183 6.4183 7.9156 7.9156 9.7290 9.7290 13.1449 13.1449 15.1639 15.1639 k = 0.4673-0.3884 0.4155 ( 5589 PWs) bands (ev): -38.1583 -38.1583 -38.1525 -38.1525 -12.5196 -12.5196 -11.8136 -11.8136 0.2513 0.2513 1.4563 1.4563 1.5592 1.5592 2.1247 2.1247 3.5964 3.5964 3.7434 3.7434 4.9778 4.9778 5.5955 5.5955 6.0243 6.0243 6.4167 6.4167 7.9140 7.9140 9.7336 9.7336 13.1322 13.1322 15.2019 15.2019 k = 0.4782-0.3773 0.4118 ( 5583 PWs) bands (ev): -38.1574 -38.1574 -38.1535 -38.1535 -12.5203 -12.5203 -11.8127 -11.8127 0.2519 0.2519 1.4491 1.4491 1.5586 1.5586 2.1292 2.1292 3.5987 3.5987 3.7449 3.7449 4.9777 4.9777 5.5955 5.5955 6.0257 6.0257 6.4155 6.4155 7.9129 7.9129 9.7369 9.7369 13.1231 13.1231 15.2406 15.2406 k = 0.4891-0.3661 0.4081 ( 5587 PWs) bands (ev): -38.1564 -38.1564 -38.1544 -38.1544 -12.5207 -12.5207 -11.8122 -11.8122 0.2523 0.2523 1.4448 1.4448 1.5582 1.5582 2.1319 2.1319 3.6001 3.6001 3.7459 3.7459 4.9776 4.9776 5.5955 5.5955 6.0265 6.0265 6.4148 6.4148 7.9123 7.9123 9.7390 9.7390 13.1176 13.1176 15.2798 15.2798 k = 0.5000-0.3549 0.4045 ( 5594 PWs) bands (ev): -38.1555 -38.1555 -38.1553 -38.1553 -12.5209 -12.5209 -11.8120 -11.8120 0.2524 0.2524 1.4433 1.4433 1.5581 1.5581 2.1328 2.1328 3.6006 3.6006 3.7462 3.7462 4.9776 4.9776 5.5955 5.5955 6.0268 6.0268 6.4146 6.4146 7.9121 7.9121 9.7397 9.7397 13.1157 13.1157 15.3164 15.3164 k = 0.5000-0.3549 0.4045 ( 5594 PWs) bands (ev): -38.1555 -38.1555 -38.1553 -38.1553 -12.5209 -12.5209 -11.8120 -11.8120 0.2524 0.2524 1.4433 1.4433 1.5581 1.5581 2.1328 2.1328 3.6006 3.6006 3.7462 3.7462 4.9776 4.9776 5.5955 5.5955 6.0268 6.0268 6.4146 6.4146 7.9121 7.9121 9.7397 9.7397 13.1157 13.1157 15.3164 15.3164 k = 0.4956-0.3464 0.4173 ( 5590 PWs) bands (ev): -38.1555 -38.1555 -38.1553 -38.1553 -12.5204 -12.5204 -11.8119 -11.8119 0.2533 0.2533 1.4415 1.4415 1.5594 1.5594 2.1336 2.1336 3.6005 3.6005 3.7402 3.7402 4.9810 4.9810 5.5958 5.5958 6.0267 6.0267 6.4141 6.4141 7.9103 7.9103 9.7403 9.7403 13.1177 13.1177 15.3183 15.3183 k = 0.4912-0.3379 0.4302 ( 5584 PWs) bands (ev): -38.1555 -38.1555 -38.1552 -38.1552 -12.5189 -12.5189 -11.8114 -11.8114 0.2558 0.2558 1.4362 1.4362 1.5632 1.5632 2.1359 2.1359 3.6000 3.6000 3.7227 3.7227 4.9910 4.9910 5.5968 5.5968 6.0267 6.0267 6.4127 6.4127 7.9049 7.9049 9.7421 9.7421 13.1235 13.1235 15.3211 15.3211 k = 0.4868-0.3294 0.4431 ( 5588 PWs) bands (ev): -38.1554 -38.1554 -38.1551 -38.1551 -12.5163 -12.5163 -11.8107 -11.8107 0.2599 0.2599 1.4279 1.4279 1.5688 1.5688 2.1397 2.1397 3.5991 3.5991 3.6943 3.6943 5.0071 5.0071 5.5985 5.5985 6.0266 6.0266 6.4103 6.4103 7.8962 7.8962 9.7452 9.7452 13.1331 13.1331 15.3180 15.3180 k = 0.4825-0.3209 0.4560 ( 5592 PWs) bands (ev): -38.1553 -38.1553 -38.1550 -38.1550 -12.5128 -12.5128 -11.8097 -11.8097 0.2657 0.2657 1.4173 1.4173 1.5759 1.5759 2.1451 2.1451 3.5966 3.5966 3.6569 3.6569 5.0282 5.0282 5.6009 5.6009 6.0264 6.0264 6.4070 6.4070 7.8842 7.8842 9.7493 9.7493 13.1463 13.1463 15.3136 15.3136 k = 0.4781-0.3125 0.4688 ( 5588 PWs) bands (ev): -38.1551 -38.1551 -38.1549 -38.1549 -12.5083 -12.5083 -11.8085 -11.8085 0.2732 0.2732 1.4049 1.4049 1.5839 1.5839 2.1520 2.1520 3.5859 3.5859 3.6184 3.6184 5.0535 5.0535 5.6039 5.6039 6.0262 6.0262 6.4028 6.4028 7.8691 7.8691 9.7546 9.7546 13.1630 13.1630 15.3083 15.3083 k = 0.4737-0.3040 0.4817 ( 5594 PWs) bands (ev): -38.1549 -38.1549 -38.1547 -38.1547 -12.5027 -12.5027 -11.8069 -11.8069 0.2823 0.2823 1.3910 1.3910 1.5925 1.5925 2.1603 2.1603 3.5428 3.5428 3.6038 3.6038 5.0819 5.0819 5.6076 5.6076 6.0260 6.0260 6.3975 6.3975 7.8513 7.8513 9.7608 9.7608 13.1830 13.1830 15.3021 15.3021 k = 0.4693-0.2955 0.4946 ( 5592 PWs) bands (ev): -38.1547 -38.1547 -38.1545 -38.1545 -12.4962 -12.4962 -11.8051 -11.8051 0.2930 0.2930 1.3759 1.3759 1.6015 1.6015 2.1702 2.1702 3.4818 3.4818 3.5994 3.5994 5.1125 5.1125 5.6119 5.6119 6.0257 6.0257 6.3913 6.3913 7.8311 7.8311 9.7679 9.7679 13.2060 13.2060 15.2953 15.2953 k = 0.4649-0.2870 0.5075 ( 5590 PWs) bands (ev): -38.1545 -38.1545 -38.1542 -38.1542 -12.4888 -12.4888 -11.8030 -11.8030 0.3053 0.3053 1.3598 1.3598 1.6109 1.6109 2.1816 2.1816 3.4133 3.4133 3.5959 3.5959 5.1445 5.1445 5.6169 5.6169 6.0253 6.0253 6.3841 6.3841 7.8088 7.8088 9.7758 9.7758 13.2316 13.2316 15.2881 15.2881 k = 0.4605-0.2785 0.5203 ( 5592 PWs) bands (ev): -38.1542 -38.1542 -38.1539 -38.1539 -12.4804 -12.4804 -11.8007 -11.8007 0.3191 0.3191 1.3430 1.3430 1.6205 1.6205 2.1944 2.1944 3.3393 3.3393 3.5918 3.5918 5.1772 5.1772 5.6224 5.6224 6.0249 6.0249 6.3759 6.3759 7.7848 7.7848 9.7844 9.7844 13.2595 13.2595 15.2809 15.2809 k = 0.4561-0.2700 0.5332 ( 5594 PWs) bands (ev): -38.1539 -38.1539 -38.1536 -38.1536 -12.4711 -12.4711 -11.7981 -11.7981 0.3346 0.3346 1.3255 1.3255 1.6302 1.6302 2.2087 2.2087 3.2606 3.2606 3.5867 3.5867 5.2100 5.2100 5.6286 5.6286 6.0244 6.0244 6.3667 6.3667 7.7595 7.7595 9.7936 9.7936 13.2893 13.2893 15.2740 15.2740 k = 0.4518-0.2615 0.5461 ( 5592 PWs) bands (ev): -38.1536 -38.1536 -38.1533 -38.1533 -12.4608 -12.4608 -11.7953 -11.7953 0.3515 0.3515 1.3074 1.3074 1.6402 1.6402 2.2244 2.2244 3.1782 3.1782 3.5804 3.5804 5.2426 5.2426 5.6353 5.6353 6.0239 6.0239 6.3565 6.3565 7.7334 7.7334 9.8032 9.8032 13.3204 13.3204 15.2678 15.2678 k = 0.4474-0.2530 0.5590 ( 5590 PWs) bands (ev): -38.1532 -38.1532 -38.1529 -38.1529 -12.4497 -12.4497 -11.7922 -11.7922 0.3700 0.3700 1.2889 1.2889 1.6504 1.6504 2.2415 2.2415 3.0924 3.0924 3.5725 3.5725 5.2746 5.2746 5.6426 5.6426 6.0234 6.0234 6.3452 6.3452 7.7069 7.7069 9.8132 9.8132 13.3524 13.3524 15.2626 15.2626 k = 0.4430-0.2445 0.5718 ( 5592 PWs) bands (ev): -38.1528 -38.1528 -38.1525 -38.1525 -12.4377 -12.4377 -11.7889 -11.7889 0.3900 0.3900 1.2702 1.2702 1.6607 1.6607 2.2600 2.2600 3.0040 3.0040 3.5629 3.5629 5.3057 5.3057 5.6503 5.6503 6.0227 6.0227 6.3329 6.3329 7.6803 7.6803 9.8235 9.8235 13.3847 13.3847 15.2591 15.2591 k = 0.4386-0.2360 0.5847 ( 5598 PWs) bands (ev): -38.1524 -38.1524 -38.1521 -38.1521 -12.4249 -12.4249 -11.7853 -11.7853 0.4113 0.4113 1.2513 1.2513 1.6712 1.6712 2.2797 2.2797 2.9133 2.9133 3.5514 3.5514 5.3357 5.3357 5.6586 5.6586 6.0220 6.0220 6.3196 6.3196 7.6541 7.6541 9.8340 9.8340 13.4166 13.4166 15.2576 15.2576 k = 0.4342-0.2275 0.5976 ( 5594 PWs) bands (ev): -38.1520 -38.1520 -38.1517 -38.1517 -12.4113 -12.4113 -11.7816 -11.7816 0.4341 0.4341 1.2323 1.2323 1.6818 1.6818 2.3007 2.3007 2.8208 2.8208 3.5379 3.5379 5.3644 5.3644 5.6673 5.6673 6.0213 6.0213 6.3053 6.3053 7.6287 7.6287 9.8447 9.8447 13.4477 13.4477 15.2587 15.2587 k = 0.4298-0.2190 0.6104 ( 5598 PWs) bands (ev): -38.1515 -38.1515 -38.1512 -38.1512 -12.3970 -12.3970 -11.7777 -11.7777 0.4583 0.4583 1.2134 1.2134 1.6926 1.6926 2.3229 2.3229 2.7270 2.7270 3.5220 3.5220 5.3917 5.3917 5.6765 5.6765 6.0205 6.0205 6.2900 6.2900 7.6043 7.6043 9.8554 9.8554 13.4772 13.4772 15.2629 15.2629 k = 0.4254-0.2106 0.6233 ( 5604 PWs) bands (ev): -38.1510 -38.1510 -38.1507 -38.1507 -12.3819 -12.3819 -11.7736 -11.7736 0.4838 0.4838 1.1946 1.1946 1.7036 1.7036 2.3457 2.3457 2.6324 2.6324 3.5037 3.5037 5.4175 5.4175 5.6860 5.6860 6.0196 6.0196 6.2738 6.2738 7.5813 7.5813 9.8661 9.8661 13.5046 13.5046 15.2707 15.2707 k = 0.4211-0.2021 0.6362 ( 5600 PWs) bands (ev): -38.1505 -38.1505 -38.1502 -38.1502 -12.3661 -12.3661 -11.7693 -11.7693 0.5105 0.5105 1.1762 1.1762 1.7147 1.7147 2.3681 2.3681 2.5386 2.5386 3.4829 3.4829 5.4417 5.4417 5.6960 5.6960 6.0185 6.0185 6.2567 6.2567 7.5600 7.5600 9.8767 9.8767 13.5293 13.5293 15.2825 15.2825 k = 0.4167-0.1936 0.6491 ( 5596 PWs) bands (ev): -38.1500 -38.1500 -38.1497 -38.1497 -12.3497 -12.3497 -11.7648 -11.7648 0.5385 0.5385 1.1581 1.1581 1.7260 1.7260 2.3806 2.3806 2.4552 2.4552 3.4595 3.4595 5.4642 5.4642 5.7063 5.7063 6.0174 6.0174 6.2387 6.2387 7.5406 7.5406 9.8872 9.8872 13.5508 13.5508 15.2988 15.2988 k = 0.4123-0.1851 0.6619 ( 5592 PWs) bands (ev): -38.1494 -38.1494 -38.1492 -38.1492 -12.3326 -12.3326 -11.7602 -11.7602 0.5676 0.5676 1.1405 1.1405 1.7373 1.7373 2.3256 2.3256 2.4401 2.4401 3.4334 3.4334 5.4850 5.4850 5.7169 5.7169 6.0161 6.0161 6.2201 6.2201 7.5233 7.5233 9.8975 9.8975 13.5687 13.5687 15.3198 15.3198 k = 0.4079-0.1766 0.6748 ( 5594 PWs) bands (ev): -38.1489 -38.1489 -38.1486 -38.1486 -12.3150 -12.3150 -11.7555 -11.7555 0.5979 0.5979 1.1235 1.1235 1.7488 1.7488 2.2335 2.2335 2.4631 2.4631 3.4046 3.4046 5.5041 5.5041 5.7278 5.7278 6.0144 6.0144 6.2010 6.2010 7.5081 7.5081 9.9076 9.9076 13.5828 13.5828 15.3457 15.3457 k = 0.4035-0.1681 0.6877 ( 5588 PWs) bands (ev): -38.1483 -38.1483 -38.1480 -38.1480 -12.2968 -12.2968 -11.7506 -11.7506 0.6291 0.6291 1.1071 1.1071 1.7603 1.7603 2.1374 2.1374 2.4913 2.4913 3.3730 3.3730 5.5214 5.5214 5.7390 5.7390 6.0123 6.0123 6.1816 6.1816 7.4953 7.4953 9.9175 9.9175 13.5928 13.5928 15.3765 15.3765 k = 0.3991-0.1596 0.7006 ( 5586 PWs) bands (ev): -38.1477 -38.1477 -38.1474 -38.1474 -12.2782 -12.2782 -11.7456 -11.7456 0.6614 0.6614 1.0916 1.0916 1.7718 1.7718 2.0406 2.0406 2.5215 2.5215 3.3387 3.3387 5.5368 5.5368 5.7504 5.7504 6.0094 6.0094 6.1625 6.1625 7.4848 7.4848 9.9271 9.9271 13.5988 13.5988 15.4121 15.4121 k = 0.3947-0.1511 0.7134 ( 5584 PWs) bands (ev): -38.1471 -38.1471 -38.1469 -38.1469 -12.2591 -12.2591 -11.7406 -11.7406 0.6946 0.6946 1.0769 1.0769 1.7833 1.7833 1.9441 1.9441 2.5531 2.5531 3.3017 3.3017 5.5505 5.5505 5.7618 5.7618 6.0053 6.0053 6.1440 6.1440 7.4765 7.4765 9.9364 9.9364 13.6009 13.6009 15.4523 15.4523 k = 0.3904-0.1426 0.7263 ( 5590 PWs) bands (ev): -38.1465 -38.1465 -38.1463 -38.1463 -12.2397 -12.2397 -11.7354 -11.7354 0.7286 0.7286 1.0632 1.0632 1.7941 1.7941 1.8488 1.8488 2.5858 2.5858 3.2621 3.2621 5.5623 5.5623 5.7733 5.7733 5.9995 5.9995 6.1272 6.1272 7.4705 7.4705 9.9454 9.9454 13.5992 13.5992 15.4967 15.4967 k = 0.3860-0.1341 0.7392 ( 5588 PWs) bands (ev): -38.1459 -38.1459 -38.1457 -38.1457 -12.2199 -12.2199 -11.7302 -11.7302 0.7633 0.7633 1.0505 1.0505 1.7510 1.7510 1.8082 1.8082 2.6195 2.6195 3.2200 3.2200 5.5723 5.5723 5.7844 5.7844 5.9913 5.9913 6.1128 6.1128 7.4666 7.4666 9.9540 9.9540 13.5940 13.5940 15.5449 15.5449 k = 0.3816-0.1256 0.7520 ( 5590 PWs) bands (ev): -38.1453 -38.1453 -38.1450 -38.1450 -12.1999 -12.1999 -11.7250 -11.7250 0.7987 0.7987 1.0389 1.0389 1.6575 1.6575 1.8190 1.8190 2.6541 2.6541 3.1756 3.1756 5.5806 5.5806 5.7949 5.7949 5.9805 5.9805 6.1016 6.1016 7.4646 7.4646 9.9624 9.9624 13.5856 13.5856 15.5963 15.5963 k = 0.3772-0.1171 0.7649 ( 5592 PWs) bands (ev): -38.1447 -38.1447 -38.1444 -38.1444 -12.1797 -12.1797 -11.7197 -11.7197 0.8345 0.8345 1.0285 1.0285 1.5648 1.5648 1.8304 1.8304 2.6894 2.6894 3.1289 3.1289 5.5871 5.5871 5.8039 5.8039 5.9675 5.9675 6.0940 6.0940 7.4644 7.4644 9.9704 9.9704 13.5745 13.5745 15.6323 15.6323 k = 0.3728-0.1086 0.7778 ( 5588 PWs) bands (ev): -38.1441 -38.1441 -38.1438 -38.1438 -12.1593 -12.1593 -11.7144 -11.7144 0.8707 0.8707 1.0194 1.0194 1.4735 1.4735 1.8417 1.8417 2.7255 2.7255 3.0802 3.0802 5.5919 5.5919 5.8102 5.8102 5.9539 5.9539 6.0898 6.0898 7.4658 7.4658 9.9781 9.9781 13.5610 13.5610 15.6106 15.6106 k = 0.3684-0.1002 0.7907 ( 5588 PWs) bands (ev): -38.1435 -38.1435 -38.1432 -38.1432 -12.1388 -12.1388 -11.7091 -11.7091 0.9069 0.9069 1.0117 1.0117 1.3842 1.3842 1.8530 1.8530 2.7622 2.7622 3.0296 3.0296 5.5950 5.5950 5.8118 5.8118 5.9426 5.9426 6.0882 6.0882 7.4686 7.4686 9.9856 9.9856 13.5455 13.5455 15.5869 15.5869 k = 0.3640-0.0917 0.8035 ( 5586 PWs) bands (ev): -38.1428 -38.1428 -38.1426 -38.1426 -12.1182 -12.1182 -11.7038 -11.7038 0.9426 0.9426 1.0054 1.0054 1.2973 1.2973 1.8641 1.8641 2.7993 2.7993 2.9774 2.9774 5.5965 5.5965 5.8062 5.8062 5.9364 5.9364 6.0888 6.0888 7.4724 7.4724 9.9928 9.9928 13.5284 13.5284 15.5620 15.5620 k = 0.3596-0.0832 0.8164 ( 5584 PWs) bands (ev): -38.1422 -38.1422 -38.1420 -38.1420 -12.0977 -12.0977 -11.6986 -11.6986 0.9759 0.9759 1.0012 1.0012 1.2143 1.2143 1.8750 1.8750 2.8365 2.8365 2.9241 2.9241 5.5965 5.5965 5.7926 5.7926 5.9371 5.9371 6.0911 6.0911 7.4771 7.4771 9.9997 9.9997 13.5101 13.5101 15.5363 15.5363 k = 0.3553-0.0747 0.8293 ( 5586 PWs) bands (ev): -38.1416 -38.1416 -38.1414 -38.1414 -12.0773 -12.0773 -11.6934 -11.6934 0.9935 0.9935 1.0075 1.0075 1.1402 1.1402 1.8856 1.8856 2.8609 2.8609 2.8828 2.8828 5.5950 5.5950 5.7721 5.7721 5.9436 5.9436 6.0946 6.0946 7.4824 7.4824 10.0064 10.0064 13.4907 13.4907 15.5102 15.5102 k = 0.3509-0.0662 0.8422 ( 5582 PWs) bands (ev): -38.1410 -38.1410 -38.1408 -38.1408 -12.0571 -12.0571 -11.6883 -11.6883 0.9922 0.9922 1.0004 1.0004 1.1021 1.1021 1.8961 1.8961 2.8105 2.8105 2.9154 2.9154 5.5920 5.5920 5.7470 5.7470 5.9542 5.9542 6.0992 6.0992 7.4880 7.4880 10.0130 10.0130 13.4708 13.4708 15.4841 15.4841 k = 0.3465-0.0577 0.8550 ( 5590 PWs) bands (ev): -38.1405 -38.1405 -38.1402 -38.1402 -12.0371 -12.0371 -11.6832 -11.6832 0.9406 0.9406 0.9933 0.9933 1.1182 1.1182 1.9062 1.9062 2.7538 2.7538 2.9536 2.9536 5.5875 5.5875 5.7192 5.7192 5.9673 5.9673 6.1047 6.1047 7.4938 7.4938 10.0194 10.0194 13.4504 13.4504 15.4583 15.4583 k = 0.3421-0.0492 0.8679 ( 5588 PWs) bands (ev): -38.1399 -38.1399 -38.1396 -38.1396 -12.0173 -12.0173 -11.6783 -11.6783 0.8689 0.8689 0.9944 0.9944 1.1500 1.1500 1.9160 1.9160 2.6961 2.6961 2.9921 2.9921 5.5814 5.5814 5.6899 5.6899 5.9820 5.9820 6.1109 6.1109 7.4994 7.4994 10.0257 10.0257 13.4300 13.4300 15.4331 15.4331 k = 0.3377-0.0407 0.8808 ( 5590 PWs) bands (ev): -38.1393 -38.1393 -38.1391 -38.1391 -11.9980 -11.9980 -11.6734 -11.6734 0.7964 0.7964 0.9971 0.9971 1.1850 1.1850 1.9255 1.9255 2.6378 2.6378 3.0307 3.0307 5.5733 5.5733 5.6602 5.6602 5.9977 5.9977 6.1179 6.1179 7.5047 7.5047 10.0319 10.0319 13.4096 13.4096 15.4088 15.4088 k = 0.3333-0.0322 0.8937 ( 5586 PWs) bands (ev): -38.1388 -38.1388 -38.1385 -38.1385 -11.9790 -11.9790 -11.6687 -11.6687 0.7254 0.7254 1.0014 1.0014 1.2208 1.2208 1.9346 1.9346 2.5793 2.5793 3.0692 3.0692 5.5626 5.5626 5.6316 5.6316 6.0139 6.0139 6.1256 6.1256 7.5095 7.5095 10.0381 10.0381 13.3894 13.3894 15.3854 15.3854 k = 0.3289-0.0237 0.9065 ( 5584 PWs) bands (ev): -38.1383 -38.1383 -38.1380 -38.1380 -11.9605 -11.9605 -11.6641 -11.6641 0.6568 0.6568 1.0074 1.0074 1.2565 1.2565 1.9432 1.9432 2.5208 2.5208 3.1073 3.1073 5.5476 5.5476 5.6060 5.6060 6.0303 6.0303 6.1341 6.1341 7.5137 7.5137 10.0443 10.0443 13.3697 13.3697 15.3632 15.3632 k = 0.3246-0.0152 0.9194 ( 5588 PWs) bands (ev): -38.1378 -38.1378 -38.1375 -38.1375 -11.9426 -11.9426 -11.6597 -11.6597 0.5909 0.5909 1.0150 1.0150 1.2917 1.2917 1.9514 1.9514 2.4624 2.4624 3.1451 3.1451 5.5267 5.5267 5.5854 5.5854 6.0464 6.0464 6.1435 6.1435 7.5170 7.5170 10.0504 10.0504 13.3505 13.3505 15.3424 15.3424 k = 0.3202-0.0067 0.9323 ( 5582 PWs) bands (ev): -38.1373 -38.1373 -38.1370 -38.1370 -11.9253 -11.9253 -11.6555 -11.6555 0.5280 0.5280 1.0242 1.0242 1.3262 1.3262 1.9590 1.9590 2.4045 2.4045 3.1822 3.1822 5.5005 5.5005 5.5698 5.5698 6.0619 6.0619 6.1539 6.1539 7.5195 7.5195 10.0566 10.0566 13.3321 13.3321 15.3229 15.3229 k = 0.3158 0.0017 0.9451 ( 5580 PWs) bands (ev): -38.1368 -38.1368 -38.1365 -38.1365 -11.9087 -11.9087 -11.6514 -11.6514 0.4682 0.4682 1.0351 1.0351 1.3598 1.3598 1.9660 1.9660 2.3472 2.3472 3.2186 3.2186 5.4712 5.4712 5.5572 5.5572 6.0764 6.0764 6.1655 6.1655 7.5210 7.5210 10.0627 10.0627 13.3144 13.3144 15.3049 15.3049 k = 0.3114 0.0102 0.9580 ( 5582 PWs) bands (ev): -38.1364 -38.1364 -38.1361 -38.1361 -11.8928 -11.8928 -11.6476 -11.6476 0.4117 0.4117 1.0476 1.0476 1.3923 1.3923 1.9722 1.9722 2.2910 2.2910 3.2541 3.2541 5.4408 5.4408 5.5459 5.5459 6.0896 6.0896 6.1783 6.1783 7.5216 7.5216 10.0689 10.0689 13.2976 13.2976 15.2884 15.2884 k = 0.3070 0.0187 0.9709 ( 5582 PWs) bands (ev): -38.1359 -38.1359 -38.1357 -38.1357 -11.8777 -11.8777 -11.6439 -11.6439 0.3585 0.3585 1.0616 1.0616 1.4236 1.4236 1.9774 1.9774 2.2362 2.2362 3.2885 3.2885 5.4103 5.4103 5.5355 5.5355 6.1014 6.1014 6.1922 6.1922 7.5212 7.5212 10.0749 10.0749 13.2817 13.2817 15.2734 15.2734 k = 0.3026 0.0272 0.9838 ( 5580 PWs) bands (ev): -38.1355 -38.1355 -38.1353 -38.1353 -11.8635 -11.8635 -11.6405 -11.6405 0.3089 0.3089 1.0771 1.0771 1.4533 1.4533 1.9811 1.9811 2.1835 2.1835 3.3216 3.3216 5.3802 5.3802 5.5255 5.5255 6.1117 6.1117 6.2072 6.2072 7.5199 7.5199 10.0809 10.0809 13.2669 13.2669 15.2599 15.2599 k = 0.2982 0.0357 0.9966 ( 5572 PWs) bands (ev): -38.1352 -38.1352 -38.1349 -38.1349 -11.8502 -11.8502 -11.6373 -11.6373 0.2629 0.2629 1.0940 1.0940 1.4814 1.4814 1.9823 1.9823 2.1341 2.1341 3.3532 3.3532 5.3511 5.3511 5.5160 5.5160 6.1207 6.1207 6.2227 6.2227 7.5178 7.5178 10.0868 10.0868 13.2531 13.2531 15.2479 15.2479 k = 0.2939 0.0442 1.0095 ( 5562 PWs) bands (ev): -38.1348 -38.1348 -38.1346 -38.1346 -11.8379 -11.8379 -11.6343 -11.6343 0.2206 0.2206 1.1122 1.1122 1.5078 1.5078 1.9785 1.9785 2.0909 2.0909 3.3831 3.3831 5.3232 5.3232 5.5069 5.5069 6.1284 6.1284 6.2386 6.2386 7.5150 7.5150 10.0925 10.0925 13.2404 13.2404 15.2372 15.2372 k = 0.2895 0.0527 1.0224 ( 5566 PWs) bands (ev): -38.1345 -38.1345 -38.1343 -38.1343 -11.8266 -11.8266 -11.6316 -11.6316 0.1820 0.1820 1.1315 1.1315 1.5322 1.5322 1.9643 1.9643 2.0594 2.0594 3.4111 3.4111 5.2969 5.2969 5.4984 5.4984 6.1351 6.1351 6.2542 6.2542 7.5116 7.5116 10.0979 10.0979 13.2289 13.2289 15.2279 15.2279 k = 0.2851 0.0612 1.0353 ( 5564 PWs) bands (ev): -38.1342 -38.1342 -38.1340 -38.1340 -11.8163 -11.8163 -11.6292 -11.6292 0.1473 0.1473 1.1516 1.1516 1.5545 1.5545 1.9364 1.9364 2.0432 2.0432 3.4370 3.4370 5.2724 5.2724 5.4904 5.4904 6.1408 6.1408 6.2694 6.2694 7.5078 7.5078 10.1030 10.1030 13.2185 13.2185 15.2199 15.2199 k = 0.2807 0.0697 1.0481 ( 5562 PWs) bands (ev): -38.1340 -38.1340 -38.1338 -38.1338 -11.8071 -11.8071 -11.6270 -11.6270 0.1166 0.1166 1.1723 1.1723 1.5745 1.5745 1.9003 1.9003 2.0374 2.0374 3.4605 3.4605 5.2501 5.2501 5.4830 5.4830 6.1457 6.1457 6.2836 6.2836 7.5038 7.5038 10.1077 10.1077 13.2094 13.2094 15.2130 15.2130 k = 0.2763 0.0782 1.0610 ( 5560 PWs) bands (ev): -38.1338 -38.1338 -38.1335 -38.1335 -11.7991 -11.7991 -11.6251 -11.6251 0.0898 0.0898 1.1932 1.1932 1.5922 1.5922 1.8623 1.8623 2.0360 2.0360 3.4815 3.4815 5.2301 5.2301 5.4764 5.4764 6.1499 6.1499 6.2967 6.2967 7.4998 7.4998 10.1120 10.1120 13.2014 13.2014 15.2073 15.2073 k = 0.2719 0.0867 1.0739 ( 5562 PWs) bands (ev): -38.1336 -38.1336 -38.1334 -38.1334 -11.7923 -11.7923 -11.6235 -11.6235 0.0670 0.0670 1.2136 1.2136 1.6073 1.6073 1.8258 1.8258 2.0362 2.0362 3.4996 3.4996 5.2127 5.2127 5.4707 5.4707 6.1533 6.1533 6.3083 6.3083 7.4960 7.4960 10.1157 10.1157 13.1946 13.1946 15.2026 15.2026 k = 0.2675 0.0952 1.0867 ( 5564 PWs) bands (ev): -38.1334 -38.1334 -38.1332 -38.1332 -11.7867 -11.7867 -11.6222 -11.6222 0.0484 0.0484 1.2328 1.2328 1.6199 1.6199 1.7929 1.7929 2.0370 2.0370 3.5148 3.5148 5.1982 5.1982 5.4659 5.4659 6.1561 6.1561 6.3181 6.3181 7.4926 7.4926 10.1189 10.1189 13.1891 13.1891 15.1989 15.1989 k = 0.2632 0.1036 1.0996 ( 5566 PWs) bands (ev): -38.1333 -38.1333 -38.1331 -38.1331 -11.7823 -11.7823 -11.6211 -11.6211 0.0338 0.0338 1.2497 1.2497 1.6298 1.6298 1.7649 1.7649 2.0379 2.0379 3.5268 3.5268 5.1867 5.1867 5.4621 5.4621 6.1583 6.1583 6.3260 6.3260 7.4897 7.4897 10.1214 10.1214 13.1847 13.1847 15.1960 15.1960 k = 0.2588 0.1121 1.1125 ( 5564 PWs) bands (ev): -38.1332 -38.1332 -38.1330 -38.1330 -11.7791 -11.7791 -11.6204 -11.6204 0.0234 0.0234 1.2632 1.2632 1.6369 1.6369 1.7434 1.7434 2.0386 2.0386 3.5355 3.5355 5.1783 5.1783 5.4593 5.4593 6.1598 6.1598 6.3318 6.3318 7.4876 7.4876 10.1232 10.1232 13.1817 13.1817 15.1941 15.1941 k = 0.2544 0.1206 1.1254 ( 5568 PWs) bands (ev): -38.1332 -38.1332 -38.1330 -38.1330 -11.7772 -11.7772 -11.6199 -11.6199 0.0171 0.0171 1.2720 1.2720 1.6412 1.6412 1.7298 1.7298 2.0391 2.0391 3.5408 3.5408 5.1732 5.1732 5.4577 5.4577 6.1607 6.1607 6.3353 6.3353 7.4862 7.4862 10.1243 10.1243 13.1798 13.1798 15.1929 15.1929 k = 0.2500 0.1291 1.1382 ( 5568 PWs) bands (ev): -38.1332 -38.1332 -38.1329 -38.1329 -11.7766 -11.7766 -11.6198 -11.6198 0.0150 0.0150 1.2750 1.2750 1.6426 1.6426 1.7251 1.7251 2.0392 2.0392 3.5425 3.5425 5.1716 5.1716 5.4571 5.4571 6.1610 6.1610 6.3365 6.3365 7.4858 7.4858 10.1247 10.1247 13.1792 13.1792 15.1925 15.1925 k = 0.0667-0.1291 1.1382 ( 5565 PWs) bands (ev): -38.1363 -38.1363 -38.1311 -38.1311 -11.7853 -11.7853 -11.6278 -11.6278 0.0286 0.0286 1.1083 1.1083 1.5715 1.5715 1.9755 1.9755 2.0807 2.0807 3.5326 3.5326 5.2061 5.2061 5.4587 5.4587 6.0736 6.0736 6.2885 6.2885 7.5840 7.5840 10.0672 10.0672 13.7775 13.7775 14.7611 14.7611 k = 0.0710-0.1375 1.1255 ( 5565 PWs) bands (ev): -38.1370 -38.1370 -38.1308 -38.1308 -11.7913 -11.7913 -11.6308 -11.6308 0.0492 0.0492 1.0859 1.0859 1.5508 1.5508 2.0204 2.0204 2.0874 2.0874 3.5160 3.5160 5.2258 5.2258 5.4619 5.4619 6.0707 6.0707 6.2758 6.2758 7.5730 7.5730 10.0863 10.0863 13.7821 13.7821 14.7190 14.7190 k = 0.0754-0.1460 1.1127 ( 5565 PWs) bands (ev): -38.1377 -38.1377 -38.1305 -38.1305 -11.7985 -11.7985 -11.6340 -11.6340 0.0738 0.0738 1.0645 1.0645 1.5282 1.5282 2.0670 2.0670 2.0937 2.0937 3.4961 3.4961 5.2486 5.2486 5.4658 5.4658 6.0672 6.0672 6.2623 6.2623 7.5615 7.5615 10.1050 10.1050 13.7881 13.7881 14.6767 14.6767 k = 0.0797-0.1544 1.0999 ( 5567 PWs) bands (ev): -38.1384 -38.1384 -38.1303 -38.1303 -11.8068 -11.8068 -11.6376 -11.6376 0.1022 0.1022 1.0444 1.0444 1.5040 1.5040 2.0983 2.0983 2.1160 2.1160 3.4734 3.4734 5.2741 5.2741 5.4703 5.4703 6.0631 6.0631 6.2479 6.2479 7.5494 7.5494 10.1233 10.1233 13.7955 13.7955 14.6346 14.6346 k = 0.0841-0.1628 1.0871 ( 5573 PWs) bands (ev): -38.1392 -38.1392 -38.1301 -38.1301 -11.8162 -11.8162 -11.6413 -11.6413 0.1344 0.1344 1.0257 1.0257 1.4783 1.4783 2.1032 2.1032 2.1651 2.1651 3.4480 3.4480 5.3019 5.3019 5.4752 5.4752 6.0584 6.0584 6.2330 6.2330 7.5368 7.5368 10.1408 10.1408 13.8042 13.8042 14.5930 14.5930 k = 0.0885-0.1713 1.0744 ( 5574 PWs) bands (ev): -38.1400 -38.1400 -38.1299 -38.1299 -11.8266 -11.8266 -11.6453 -11.6453 0.1703 0.1703 1.0085 1.0085 1.4514 1.4514 2.1070 2.1070 2.2154 2.2154 3.4206 3.4206 5.3318 5.3318 5.4805 5.4805 6.0531 6.0531 6.2175 6.2175 7.5239 7.5239 10.1574 10.1574 13.8144 13.8144 14.5521 14.5521 k = 0.0928-0.1797 1.0616 ( 5577 PWs) bands (ev): -38.1409 -38.1409 -38.1297 -38.1297 -11.8381 -11.8381 -11.6496 -11.6496 0.2098 0.2098 0.9928 0.9928 1.4234 1.4234 2.1098 2.1098 2.2663 2.2663 3.3914 3.3914 5.3633 5.3633 5.4861 5.4861 6.0473 6.0473 6.2017 6.2017 7.5107 7.5107 10.1729 10.1729 13.8259 13.8259 14.5123 14.5123 k = 0.0972-0.1881 1.0488 ( 5584 PWs) bands (ev): -38.1417 -38.1417 -38.1296 -38.1296 -11.8505 -11.8505 -11.6540 -11.6540 0.2528 0.2528 0.9788 0.9788 1.3945 1.3945 2.1116 2.1116 2.3176 2.3176 3.3610 3.3610 5.3961 5.3961 5.4920 5.4920 6.0410 6.0410 6.1856 6.1856 7.4974 7.4974 10.1871 10.1871 13.8387 13.8387 14.4738 14.4738 k = 0.1015-0.1965 1.0361 ( 5583 PWs) bands (ev): -38.1426 -38.1426 -38.1296 -38.1296 -11.8638 -11.8638 -11.6587 -11.6587 0.2991 0.2991 0.9665 0.9665 1.3649 1.3649 2.1124 2.1124 2.3689 2.3689 3.3297 3.3297 5.4298 5.4298 5.4981 5.4981 6.0342 6.0342 6.1695 6.1695 7.4840 7.4840 10.1997 10.1997 13.8530 13.8530 14.4368 14.4368 k = 0.1059-0.2050 1.0233 ( 5585 PWs) bands (ev): -38.1435 -38.1435 -38.1295 -38.1295 -11.8780 -11.8780 -11.6636 -11.6636 0.3486 0.3486 0.9559 0.9559 1.3347 1.3347 2.1122 2.1122 2.4198 2.4198 3.2980 3.2980 5.4640 5.4640 5.5045 5.5045 6.0271 6.0271 6.1532 6.1532 7.4708 7.4708 10.2107 10.2107 13.8685 13.8685 14.4015 14.4015 k = 0.1102-0.2134 1.0105 ( 5592 PWs) bands (ev): -38.1444 -38.1444 -38.1295 -38.1295 -11.8931 -11.8931 -11.6686 -11.6686 0.4011 0.4011 0.9471 0.9471 1.3043 1.3043 2.1110 2.1110 2.4697 2.4697 3.2665 3.2665 5.4971 5.4971 5.5122 5.5122 6.0196 6.0196 6.1371 6.1371 7.4577 7.4577 10.2200 10.2200 13.8853 13.8853 14.3680 14.3680 k = 0.1146-0.2218 0.9977 ( 5592 PWs) bands (ev): -38.1453 -38.1453 -38.1295 -38.1295 -11.9088 -11.9088 -11.6738 -11.6738 0.4563 0.4563 0.9400 0.9400 1.2738 1.2738 2.1089 2.1089 2.5181 2.5181 3.2359 3.2359 5.5137 5.5137 5.5365 5.5365 6.0118 6.0118 6.1212 6.1212 7.4451 7.4451 10.2273 10.2273 13.9034 13.9034 14.3364 14.3364 k = 0.1189-0.2302 0.9850 ( 5594 PWs) bands (ev): -38.1463 -38.1463 -38.1295 -38.1295 -11.9253 -11.9253 -11.6792 -11.6792 0.5138 0.5138 0.9346 0.9346 1.2437 1.2437 2.1058 2.1058 2.5640 2.5640 3.2069 3.2069 5.5200 5.5200 5.5706 5.5706 6.0039 6.0039 6.1057 6.1057 7.4329 7.4329 10.2326 10.2326 13.9228 13.9228 14.3068 14.3068 k = 0.1233-0.2387 0.9722 ( 5588 PWs) bands (ev): -38.1472 -38.1472 -38.1296 -38.1296 -11.9423 -11.9423 -11.6847 -11.6847 0.5732 0.5732 0.9311 0.9311 1.2145 1.2145 2.1019 2.1019 2.6065 2.6065 3.1808 3.1808 5.5254 5.5254 5.6048 5.6048 5.9959 5.9959 6.0905 6.0905 7.4215 7.4215 10.2358 10.2358 13.9433 13.9433 14.2791 14.2791 k = 0.1276-0.2471 0.9594 ( 5588 PWs) bands (ev): -38.1482 -38.1482 -38.1297 -38.1297 -11.9600 -11.9600 -11.6903 -11.6903 0.6334 0.6334 0.9293 0.9293 1.1870 1.1870 2.0970 2.0970 2.6440 2.6440 3.1587 3.1587 5.5301 5.5301 5.6385 5.6385 5.9881 5.9881 6.0758 6.0758 7.4108 7.4108 10.2369 10.2369 13.9650 13.9650 14.2534 14.2534 k = 0.1320-0.2555 0.9466 ( 5586 PWs) bands (ev): -38.1492 -38.1492 -38.1298 -38.1298 -11.9781 -11.9781 -11.6961 -11.6961 0.6932 0.6932 0.9291 0.9291 1.1626 1.1626 2.0914 2.0914 2.6747 2.6747 3.1427 3.1427 5.5342 5.5342 5.6712 5.6712 5.9806 5.9806 6.0618 6.0618 7.4012 7.4012 10.2357 10.2357 13.9877 13.9877 14.2295 14.2295 k = 0.1363-0.2639 0.9339 ( 5590 PWs) bands (ev): -38.1501 -38.1501 -38.1299 -38.1299 -11.9967 -11.9967 -11.7019 -11.7019 0.7501 0.7501 0.9307 0.9307 1.1437 1.1437 2.0851 2.0851 2.6967 2.6967 3.1344 3.1344 5.5377 5.5377 5.7023 5.7023 5.9737 5.9737 6.0484 6.0484 7.3927 7.3927 10.2325 10.2325 14.0114 14.0114 14.2072 14.2072 k = 0.1407-0.2724 0.9211 ( 5588 PWs) bands (ev): -38.1511 -38.1511 -38.1301 -38.1301 -12.0156 -12.0156 -11.7079 -11.7079 0.7995 0.7995 0.9340 0.9340 1.1349 1.1349 2.0780 2.0780 2.7083 2.7083 3.1354 3.1354 5.5405 5.5405 5.7314 5.7314 5.9678 5.9678 6.0360 6.0360 7.3856 7.3856 10.2270 10.2270 14.0361 14.0361 14.1866 14.1866 k = 0.1450-0.2808 0.9083 ( 5592 PWs) bands (ev): -38.1521 -38.1521 -38.1302 -38.1302 -12.0349 -12.0349 -11.7138 -11.7138 0.8348 0.8348 0.9390 0.9390 1.1426 1.1426 2.0703 2.0703 2.7093 2.7093 3.1459 3.1459 5.5424 5.5424 5.7574 5.7574 5.9636 5.9636 6.0247 6.0247 7.3799 7.3799 10.2195 10.2195 14.0615 14.0615 14.1673 14.1673 k = 0.1494-0.2892 0.8955 ( 5588 PWs) bands (ev): -38.1531 -38.1531 -38.1304 -38.1304 -12.0544 -12.0544 -11.7199 -11.7199 0.8506 0.8506 0.9458 0.9458 1.1721 1.1721 2.0621 2.0621 2.7007 2.7007 3.1647 3.1647 5.5436 5.5436 5.7793 5.7793 5.9618 5.9618 6.0148 6.0148 7.3759 7.3759 10.2098 10.2098 14.0874 14.0874 14.1494 14.1494 k = 0.1537-0.2976 0.8828 ( 5588 PWs) bands (ev): -38.1541 -38.1541 -38.1306 -38.1306 -12.0740 -12.0740 -11.7260 -11.7260 0.8481 0.8481 0.9544 0.9544 1.2222 1.2222 2.0533 2.0533 2.6844 2.6844 3.1898 3.1898 5.5439 5.5439 5.7956 5.7956 5.9632 5.9632 6.0070 6.0070 7.3737 7.3737 10.1982 10.1982 14.1127 14.1127 14.1338 14.1338 k = 0.1581-0.3061 0.8700 ( 5584 PWs) bands (ev): -38.1551 -38.1551 -38.1308 -38.1308 -12.0938 -12.0938 -11.7320 -11.7320 0.8333 0.8333 0.9645 0.9645 1.2868 1.2868 2.0441 2.0441 2.6626 2.6626 3.2189 3.2189 5.5433 5.5433 5.8054 5.8054 5.9669 5.9669 6.0030 6.0030 7.3734 7.3734 10.1848 10.1848 14.1133 14.1133 14.1440 14.1440 k = 0.1624-0.3145 0.8572 ( 5587 PWs) bands (ev): -38.1561 -38.1561 -38.1311 -38.1311 -12.1136 -12.1136 -11.7381 -11.7381 0.8114 0.8114 0.9760 0.9760 1.3606 1.3606 2.0346 2.0346 2.6368 2.6368 3.2501 3.2501 5.5418 5.5418 5.8085 5.8085 5.9693 5.9693 6.0066 6.0066 7.3752 7.3752 10.1695 10.1695 14.0981 14.0981 14.1709 14.1709 k = 0.1668-0.3229 0.8445 ( 5589 PWs) bands (ev): -38.1571 -38.1571 -38.1313 -38.1313 -12.1334 -12.1334 -11.7442 -11.7442 0.7858 0.7858 0.9890 0.9890 1.4403 1.4403 2.0249 2.0249 2.6085 2.6085 3.2821 3.2821 5.5393 5.5393 5.8060 5.8060 5.9678 5.9678 6.0194 6.0194 7.3792 7.3792 10.1527 10.1527 14.0825 14.0825 14.1987 14.1987 k = 0.1711-0.3313 0.8317 ( 5589 PWs) bands (ev): -38.1580 -38.1580 -38.1316 -38.1316 -12.1531 -12.1531 -11.7502 -11.7502 0.7581 0.7581 1.0034 1.0034 1.5240 1.5240 2.0152 2.0152 2.5786 2.5786 3.3137 3.3137 5.5359 5.5359 5.7992 5.7992 5.9644 5.9644 6.0379 6.0379 7.3853 7.3853 10.1343 10.1343 14.0669 14.0669 14.2267 14.2267 k = 0.1755-0.3398 0.8189 ( 5589 PWs) bands (ev): -38.1590 -38.1590 -38.1318 -38.1318 -12.1727 -12.1727 -11.7562 -11.7562 0.7292 0.7292 1.0192 1.0192 1.6103 1.6103 2.0056 2.0056 2.5477 2.5477 3.3443 3.3443 5.5315 5.5315 5.7895 5.7895 5.9605 5.9605 6.0594 6.0594 7.3938 7.3938 10.1145 10.1145 14.0510 14.0510 14.2548 14.2548 k = 0.1798-0.3482 0.8061 ( 5582 PWs) bands (ev): -38.1599 -38.1599 -38.1321 -38.1321 -12.1921 -12.1921 -11.7622 -11.7622 0.7000 0.7000 1.0362 1.0362 1.6981 1.6981 1.9967 1.9967 2.5162 2.5162 3.3732 3.3732 5.5261 5.5261 5.7777 5.7777 5.9569 5.9569 6.0823 6.0823 7.4046 7.4046 10.0935 10.0935 14.0347 14.0347 14.2827 14.2827 k = 0.1842-0.3566 0.7934 ( 5580 PWs) bands (ev): -38.1608 -38.1608 -38.1324 -38.1324 -12.2113 -12.2113 -11.7680 -11.7680 0.6706 0.6706 1.0545 1.0545 1.7855 1.7855 1.9900 1.9900 2.4845 2.4845 3.4000 3.4000 5.5196 5.5196 5.7645 5.7645 5.9537 5.9537 6.1058 6.1058 7.4178 7.4178 10.0714 10.0714 14.0180 14.0180 14.3102 14.3102 k = 0.1885-0.3651 0.7806 ( 5584 PWs) bands (ev): -38.1617 -38.1617 -38.1327 -38.1327 -12.2302 -12.2302 -11.7738 -11.7738 0.6414 0.6414 1.0740 1.0740 1.8666 1.8666 1.9910 1.9910 2.4529 2.4529 3.4246 3.4246 5.5119 5.5119 5.7506 5.7506 5.9509 5.9509 6.1295 6.1295 7.4332 7.4332 10.0484 10.0484 14.0007 14.0007 14.3373 14.3373 k = 0.1929-0.3735 0.7678 ( 5584 PWs) bands (ev): -38.1626 -38.1626 -38.1329 -38.1329 -12.2487 -12.2487 -11.7794 -11.7794 0.6127 0.6127 1.0946 1.0946 1.9177 1.9177 2.0230 2.0230 2.4215 2.4215 3.4466 3.4466 5.5028 5.5028 5.7361 5.7361 5.9484 5.9484 6.1531 6.1531 7.4509 7.4509 10.0246 10.0246 13.9827 13.9827 14.3636 14.3636 k = 0.1972-0.3819 0.7550 ( 5584 PWs) bands (ev): -38.1635 -38.1635 -38.1332 -38.1332 -12.2667 -12.2667 -11.7850 -11.7850 0.5845 0.5845 1.1162 1.1162 1.9268 1.9268 2.0979 2.0979 2.3906 2.3906 3.4659 3.4659 5.4922 5.4922 5.7216 5.7216 5.9462 5.9462 6.1763 6.1763 7.4708 7.4708 10.0002 10.0002 13.9640 13.9640 14.3891 14.3891 k = 0.2016-0.3903 0.7423 ( 5586 PWs) bands (ev): -38.1643 -38.1643 -38.1335 -38.1335 -12.2844 -12.2844 -11.7904 -11.7904 0.5570 0.5570 1.1387 1.1387 1.9221 1.9221 2.1870 2.1870 2.3603 2.3603 3.4826 3.4826 5.4800 5.4800 5.7074 5.7074 5.9442 5.9442 6.1991 6.1991 7.4927 7.4927 9.9754 9.9754 13.9445 13.9445 14.4136 14.4136 k = 0.2060-0.3988 0.7295 ( 5584 PWs) bands (ev): -38.1652 -38.1652 -38.1338 -38.1338 -12.3015 -12.3015 -11.7956 -11.7956 0.5302 0.5302 1.1621 1.1621 1.9139 1.9139 2.2781 2.2781 2.3325 2.3325 3.4965 3.4965 5.4659 5.4659 5.6937 5.6937 5.9425 5.9425 6.2214 6.2214 7.5165 7.5165 9.9503 9.9503 13.9244 13.9244 14.4370 14.4370 k = 0.2103-0.4072 0.7167 ( 5586 PWs) bands (ev): -38.1660 -38.1660 -38.1341 -38.1341 -12.3181 -12.3181 -11.8007 -11.8007 0.5044 0.5044 1.1863 1.1863 1.9047 1.9047 2.2975 2.2975 2.3783 2.3783 3.5078 3.5078 5.4497 5.4497 5.6808 5.6808 5.9409 5.9409 6.2431 6.2431 7.5421 7.5421 9.9251 9.9251 13.9037 13.9037 14.4590 14.4590 k = 0.2147-0.4156 0.7040 ( 5590 PWs) bands (ev): -38.1667 -38.1667 -38.1343 -38.1343 -12.3341 -12.3341 -11.8056 -11.8056 0.4795 0.4795 1.2111 1.2111 1.8951 1.8951 2.2699 2.2699 2.4720 2.4720 3.5166 3.5166 5.4313 5.4313 5.6688 5.6688 5.9394 5.9394 6.2640 6.2640 7.5691 7.5691 9.8999 9.8999 13.8825 13.8825 14.4796 14.4796 k = 0.2190-0.4240 0.6912 ( 5598 PWs) bands (ev): -38.1675 -38.1675 -38.1346 -38.1346 -12.3495 -12.3495 -11.8103 -11.8103 0.4556 0.4556 1.2365 1.2365 1.8855 1.8855 2.2419 2.2419 2.5666 2.5666 3.5229 3.5229 5.4108 5.4108 5.6580 5.6580 5.9380 5.9380 6.2842 6.2842 7.5973 7.5973 9.8749 9.8749 13.8609 13.8609 14.4987 14.4987 k = 0.2234-0.4325 0.6784 ( 5606 PWs) bands (ev): -38.1682 -38.1682 -38.1349 -38.1349 -12.3642 -12.3642 -11.8148 -11.8148 0.4327 0.4327 1.2623 1.2623 1.8761 1.8761 2.2145 2.2145 2.6607 2.6607 3.5270 3.5270 5.3880 5.3880 5.6483 5.6483 5.9367 5.9367 6.3036 6.3036 7.6266 7.6266 9.8502 9.8502 13.8391 13.8391 14.5160 14.5160 k = 0.2277-0.4409 0.6656 ( 5604 PWs) bands (ev): -38.1688 -38.1688 -38.1351 -38.1351 -12.3781 -12.3781 -11.8191 -11.8191 0.4111 0.4111 1.2885 1.2885 1.8669 1.8669 2.1877 2.1877 2.7538 2.7538 3.5291 3.5291 5.3630 5.3630 5.6397 5.6397 5.9354 5.9354 6.3221 6.3221 7.6565 7.6565 9.8261 9.8261 13.8173 13.8173 14.5316 14.5316 k = 0.2321-0.4493 0.6529 ( 5604 PWs) bands (ev): -38.1695 -38.1695 -38.1354 -38.1354 -12.3914 -12.3914 -11.8232 -11.8232 0.3906 0.3906 1.3149 1.3149 1.8581 1.8581 2.1616 2.1616 2.8457 2.8457 3.5293 3.5293 5.3361 5.3361 5.6323 5.6323 5.9341 5.9341 6.3396 6.3396 7.6868 7.6868 9.8026 9.8026 13.7956 13.7956 14.5453 14.5453 k = 0.2364-0.4577 0.6401 ( 5602 PWs) bands (ev): -38.1700 -38.1700 -38.1356 -38.1356 -12.4039 -12.4039 -11.8270 -11.8270 0.3713 0.3713 1.3414 1.3414 1.8497 1.8497 2.1362 2.1362 2.9358 2.9358 3.5280 3.5280 5.3074 5.3074 5.6258 5.6258 5.9329 5.9329 6.3561 6.3561 7.7172 7.7172 9.7800 9.7800 13.7742 13.7742 14.5573 14.5573 k = 0.2408-0.4662 0.6273 ( 5606 PWs) bands (ev): -38.1706 -38.1706 -38.1358 -38.1358 -12.4155 -12.4155 -11.8306 -11.8306 0.3533 0.3533 1.3678 1.3678 1.8417 1.8417 2.1116 2.1116 3.0237 3.0237 3.5254 3.5254 5.2771 5.2771 5.6202 5.6202 5.9317 5.9317 6.3716 6.3716 7.7472 7.7472 9.7583 9.7583 13.7534 13.7534 14.5674 14.5674 k = 0.2451-0.4746 0.6145 ( 5604 PWs) bands (ev): -38.1711 -38.1711 -38.1360 -38.1360 -12.4264 -12.4264 -11.8339 -11.8339 0.3366 0.3366 1.3939 1.3939 1.8343 1.8343 2.0878 2.0878 3.1089 3.1089 3.5218 3.5218 5.2456 5.2456 5.6154 5.6154 5.9306 5.9306 6.3860 6.3860 7.7766 7.7766 9.7377 9.7377 13.7333 13.7333 14.5757 14.5757 k = 0.2495-0.4830 0.6018 ( 5601 PWs) bands (ev): -38.1716 -38.1716 -38.1362 -38.1362 -12.4363 -12.4363 -11.8370 -11.8370 0.3212 0.3212 1.4197 1.4197 1.8273 1.8273 2.0647 2.0647 3.1910 3.1910 3.5174 3.5174 5.2132 5.2132 5.6113 5.6113 5.9295 5.9295 6.3992 6.3992 7.8050 7.8050 9.7184 9.7184 13.7142 13.7142 14.5823 14.5823 k = 0.2538-0.4914 0.5890 ( 5607 PWs) bands (ev): -38.1720 -38.1720 -38.1364 -38.1364 -12.4454 -12.4454 -11.8398 -11.8398 0.3072 0.3072 1.4448 1.4448 1.8210 1.8210 2.0426 2.0426 3.2692 3.2692 3.5126 3.5126 5.1804 5.1804 5.6078 5.6078 5.9285 5.9285 6.4113 6.4113 7.8319 7.8319 9.7004 9.7004 13.6962 13.6962 14.5874 14.5874 k = 0.2582-0.4999 0.5762 ( 5605 PWs) bands (ev): -38.1724 -38.1724 -38.1365 -38.1365 -12.4536 -12.4536 -11.8423 -11.8423 0.2947 0.2947 1.4691 1.4691 1.8152 1.8152 2.0215 2.0215 3.3429 3.3429 3.5077 3.5077 5.1476 5.1476 5.6049 5.6049 5.9276 5.9276 6.4221 6.4221 7.8572 7.8572 9.6840 9.6840 13.6796 13.6796 14.5911 14.5911 k = 0.2625-0.5083 0.5634 ( 5603 PWs) bands (ev): -38.1727 -38.1727 -38.1367 -38.1367 -12.4609 -12.4609 -11.8446 -11.8446 0.2835 0.2835 1.4923 1.4923 1.8101 1.8101 2.0015 2.0015 3.4106 3.4106 3.5037 3.5037 5.1155 5.1155 5.6024 5.6024 5.9267 5.9267 6.4317 6.4317 7.8804 7.8804 9.6692 9.6692 13.6645 13.6645 14.5936 14.5936 k = 0.2669-0.5167 0.5507 ( 5607 PWs) bands (ev): -38.1731 -38.1731 -38.1368 -38.1368 -12.4672 -12.4672 -11.8465 -11.8465 0.2738 0.2738 1.5140 1.5140 1.8056 1.8056 1.9828 1.9828 3.4672 3.4672 3.5049 3.5049 5.0847 5.0847 5.6004 5.6004 5.9259 5.9259 6.4401 6.4401 7.9011 7.9011 9.6561 9.6561 13.6511 13.6511 14.5951 14.5951 k = 0.2712-0.5251 0.5379 ( 5613 PWs) bands (ev): -38.1733 -38.1733 -38.1369 -38.1369 -12.4726 -12.4726 -11.8482 -11.8482 0.2655 0.2655 1.5338 1.5338 1.8018 1.8018 1.9657 1.9657 3.4852 3.4852 3.5382 3.5382 5.0561 5.0561 5.5987 5.5987 5.9252 5.9252 6.4472 6.4472 7.9193 7.9193 9.6449 9.6449 13.6394 13.6394 14.5959 14.5959 k = 0.2756-0.5336 0.5251 ( 5615 PWs) bands (ev): -38.1735 -38.1735 -38.1370 -38.1370 -12.4771 -12.4771 -11.8496 -11.8496 0.2588 0.2588 1.5513 1.5513 1.7986 1.7986 1.9506 1.9506 3.4839 3.4839 3.5835 3.5835 5.0308 5.0308 5.5974 5.5974 5.9247 5.9247 6.4531 6.4531 7.9345 7.9345 9.6356 9.6356 13.6298 13.6298 14.5962 14.5962 k = 0.2799-0.5420 0.5124 ( 5615 PWs) bands (ev): -38.1737 -38.1737 -38.1371 -38.1371 -12.4805 -12.4805 -11.8506 -11.8506 0.2535 0.2535 1.5658 1.5658 1.7962 1.7962 1.9380 1.9380 3.4813 3.4813 3.6216 3.6216 5.0096 5.0096 5.5964 5.5964 5.9242 5.9242 6.4576 6.4576 7.9465 7.9465 9.6283 9.6283 13.6221 13.6221 14.5962 14.5962 k = 0.2843-0.5504 0.4996 ( 5612 PWs) bands (ev): -38.1738 -38.1738 -38.1371 -38.1371 -12.4830 -12.4830 -11.8514 -11.8514 0.2497 0.2497 1.5769 1.5769 1.7945 1.7945 1.9285 1.9285 3.4791 3.4791 3.6500 3.6500 4.9935 4.9935 5.5957 5.5957 5.9239 5.9239 6.4609 6.4609 7.9553 7.9553 9.6230 9.6230 13.6166 13.6166 14.5960 14.5960 k = 0.2886-0.5588 0.4868 ( 5614 PWs) bands (ev): -38.1739 -38.1739 -38.1371 -38.1371 -12.4845 -12.4845 -11.8519 -11.8519 0.2474 0.2474 1.5838 1.5838 1.7934 1.7934 1.9224 1.9224 3.4777 3.4777 3.6676 3.6676 4.9835 4.9835 5.5953 5.5953 5.9237 5.9237 6.4628 6.4628 7.9606 7.9606 9.6199 9.6199 13.6133 13.6133 14.5959 14.5959 k = 0.2930-0.5673 0.4740 ( 5622 PWs) bands (ev): -38.1739 -38.1739 -38.1372 -38.1372 -12.4850 -12.4850 -11.8520 -11.8520 0.2467 0.2467 1.5861 1.5861 1.7931 1.7931 1.9204 1.9204 3.4772 3.4772 3.6735 3.6735 4.9801 4.9801 5.5952 5.5952 5.9236 5.9236 6.4635 6.4635 7.9623 7.9623 9.6188 9.6188 13.6122 13.6122 14.5958 14.5958 k = 0.7070-0.1426 0.3349 ( 5622 PWs) bands (ev): -38.1739 -38.1739 -38.1372 -38.1372 -12.4850 -12.4850 -11.8520 -11.8520 0.2467 0.2467 1.5861 1.5861 1.7931 1.7931 1.9204 1.9204 3.4772 3.4772 3.6735 3.6735 4.9801 4.9801 5.5952 5.5952 5.9236 5.9236 6.4635 6.4635 7.9623 7.9623 9.6188 9.6188 13.6122 13.6122 14.5958 14.5958 k = 0.7011-0.1311 0.3254 ( 5610 PWs) bands (ev): -38.1764 -38.1764 -38.1347 -38.1347 -12.4800 -12.4800 -11.8569 -11.8569 0.2514 0.2514 1.5897 1.5897 1.7926 1.7926 1.9462 1.9462 3.4564 3.4564 3.6634 3.6634 4.9797 4.9797 5.5940 5.5940 5.8946 5.8946 6.4672 6.4672 7.9689 7.9689 9.6129 9.6129 13.7027 13.7027 14.4985 14.4985 k = 0.6952-0.1196 0.3158 ( 5612 PWs) bands (ev): -38.1789 -38.1789 -38.1323 -38.1323 -12.4750 -12.4750 -11.8616 -11.8616 0.2567 0.2567 1.5931 1.5931 1.7925 1.7925 1.9726 1.9726 3.4356 3.4356 3.6532 3.6532 4.9792 4.9792 5.5921 5.5921 5.8629 5.8629 6.4706 6.4706 7.9754 7.9754 9.6104 9.6104 13.7965 13.7965 14.4018 14.4018 k = 0.6893-0.1082 0.3062 ( 5612 PWs) bands (ev): -38.1813 -38.1813 -38.1299 -38.1299 -12.4701 -12.4701 -11.8662 -11.8662 0.2626 0.2626 1.5964 1.5964 1.7924 1.7924 1.9993 1.9993 3.4148 3.4148 3.6432 3.6432 4.9786 4.9786 5.5890 5.5890 5.8291 5.8291 6.4739 6.4739 7.9817 7.9817 9.6115 9.6115 13.8931 13.8931 14.3058 14.3058 k = 0.6833-0.0967 0.2966 ( 5616 PWs) bands (ev): -38.1837 -38.1837 -38.1276 -38.1276 -12.4652 -12.4652 -11.8705 -11.8705 0.2693 0.2693 1.5996 1.5996 1.7925 1.7925 2.0265 2.0265 3.3942 3.3942 3.6331 3.6331 4.9780 4.9780 5.5840 5.5840 5.7942 5.7942 6.4769 6.4769 7.9879 7.9879 9.6161 9.6161 13.9922 13.9922 14.2108 14.2108 k = 0.6774-0.0853 0.2871 ( 5620 PWs) bands (ev): -38.1861 -38.1861 -38.1253 -38.1253 -12.4604 -12.4604 -11.8748 -11.8748 0.2768 0.2768 1.6027 1.6027 1.7925 1.7925 2.0540 2.0540 3.3737 3.3737 3.6232 3.6232 4.9774 4.9774 5.5757 5.5757 5.7599 5.7599 6.4798 6.4798 7.9940 7.9940 9.6243 9.6243 14.0902 14.0902 14.1203 14.1203 k = 0.6715-0.0738 0.2775 ( 5604 PWs) bands (ev): -38.1885 -38.1885 -38.1230 -38.1230 -12.4556 -12.4556 -11.8788 -11.8788 0.2851 0.2851 1.6056 1.6056 1.7923 1.7923 2.0818 2.0818 3.3534 3.3534 3.6133 3.6133 4.9766 4.9766 5.5623 5.5623 5.7282 5.7282 6.4824 6.4824 7.9999 7.9999 9.6358 9.6358 14.0226 14.0226 14.1987 14.1987 k = 0.6656-0.0624 0.2679 ( 5608 PWs) bands (ev): -38.1908 -38.1908 -38.1208 -38.1208 -12.4509 -12.4509 -11.8827 -11.8827 0.2942 0.2942 1.6085 1.6085 1.7917 1.7917 2.1098 2.1098 3.3332 3.3332 3.6035 3.6035 4.9759 4.9759 5.5414 5.5414 5.7021 5.7021 6.4848 6.4848 8.0056 8.0056 9.6507 9.6507 13.9313 13.9313 14.3038 14.3038 k = 0.6597-0.0509 0.2584 ( 5604 PWs) bands (ev): -38.1930 -38.1930 -38.1187 -38.1187 -12.4462 -12.4462 -11.8864 -11.8864 0.3043 0.3043 1.6113 1.6113 1.7908 1.7908 2.1380 2.1380 3.3133 3.3133 3.5939 3.5939 4.9750 4.9750 5.5115 5.5115 5.6830 5.6830 6.4871 6.4871 8.0112 8.0112 9.6687 9.6687 13.8413 13.8413 14.4107 14.4107 k = 0.6538-0.0395 0.2488 ( 5596 PWs) bands (ev): -38.1952 -38.1952 -38.1166 -38.1166 -12.4417 -12.4417 -11.8900 -11.8900 0.3153 0.3153 1.6139 1.6139 1.7894 1.7894 2.1663 2.1663 3.2935 3.2935 3.5844 3.5844 4.9740 4.9740 5.4735 5.4735 5.6706 5.6706 6.4891 6.4891 8.0166 8.0166 9.6896 9.6896 13.7529 13.7529 14.5188 14.5188 k = 0.6479-0.0280 0.2392 ( 5600 PWs) bands (ev): -38.1973 -38.1973 -38.1145 -38.1145 -12.4372 -12.4372 -11.8933 -11.8933 0.3273 0.3273 1.6165 1.6165 1.7874 1.7874 2.1947 2.1947 3.2741 3.2741 3.5751 3.5751 4.9730 4.9730 5.4297 5.4297 5.6631 5.6631 6.4910 6.4910 8.0219 8.0219 9.7132 9.7132 13.6662 13.6662 14.6279 14.6279 k = 0.6419-0.0166 0.2297 ( 5594 PWs) bands (ev): -38.1994 -38.1994 -38.1125 -38.1125 -12.4328 -12.4328 -11.8965 -11.8965 0.3403 0.3403 1.6189 1.6189 1.7848 1.7848 2.2232 2.2232 3.2548 3.2548 3.5660 3.5660 4.9717 4.9717 5.3821 5.3821 5.6586 5.6586 6.4927 6.4927 8.0270 8.0270 9.7393 9.7393 13.5815 13.5815 14.7375 14.7375 k = 0.6360-0.0051 0.2201 ( 5606 PWs) bands (ev): -38.2015 -38.2015 -38.1106 -38.1106 -12.4285 -12.4285 -11.8996 -11.8996 0.3543 0.3543 1.6212 1.6212 1.7813 1.7813 2.2516 2.2516 3.2358 3.2358 3.5571 3.5571 4.9703 4.9703 5.3323 5.3323 5.6561 5.6561 6.4943 6.4943 8.0318 8.0318 9.7675 9.7675 13.4989 13.4989 14.8475 14.8475 k = 0.6301 0.0063 0.2105 ( 5614 PWs) bands (ev): -38.2034 -38.2034 -38.1088 -38.1088 -12.4243 -12.4243 -11.9025 -11.9025 0.3692 0.3692 1.6234 1.6234 1.7771 1.7771 2.2799 2.2799 3.2171 3.2171 3.5484 3.5484 4.9685 4.9685 5.2814 5.2814 5.6548 5.6548 6.4957 6.4957 8.0365 8.0365 9.7978 9.7978 13.4185 13.4185 14.9575 14.9575 k = 0.6242 0.0178 0.2010 ( 5606 PWs) bands (ev): -38.2053 -38.2053 -38.1070 -38.1070 -12.4203 -12.4203 -11.9052 -11.9052 0.3851 0.3851 1.6255 1.6255 1.7720 1.7720 2.3080 2.3080 3.1986 3.1986 3.5400 3.5400 4.9663 4.9663 5.2304 5.2304 5.6543 5.6543 6.4970 6.4970 8.0411 8.0411 9.8296 9.8296 13.3405 13.3405 15.0670 15.0670 k = 0.6183 0.0292 0.1914 ( 5602 PWs) bands (ev): -38.2072 -38.2072 -38.1052 -38.1052 -12.4164 -12.4164 -11.9078 -11.9078 0.4019 0.4019 1.6275 1.6275 1.7660 1.7660 2.3360 2.3360 3.1805 3.1805 3.5318 3.5318 4.9633 4.9633 5.1800 5.1800 5.6543 5.6543 6.4982 6.4982 8.0454 8.0454 9.8628 9.8628 13.2650 13.2650 15.1756 15.1756 k = 0.6124 0.0407 0.1818 ( 5598 PWs) bands (ev): -38.2089 -38.2089 -38.1036 -38.1036 -12.4126 -12.4126 -11.9102 -11.9102 0.4195 0.4195 1.6293 1.6293 1.7590 1.7590 2.3637 2.3637 3.1626 3.1626 3.5239 3.5239 4.9589 4.9589 5.1314 5.1314 5.6547 5.6547 6.4992 6.4992 8.0495 8.0495 9.8971 9.8971 13.1921 13.1921 15.2829 15.2829 k = 0.6065 0.0521 0.1722 ( 5602 PWs) bands (ev): -38.2106 -38.2106 -38.1020 -38.1020 -12.4089 -12.4089 -11.9125 -11.9125 0.4380 0.4380 1.6311 1.6311 1.7511 1.7511 2.3911 2.3911 3.1449 3.1449 3.5163 3.5163 4.9520 4.9520 5.0862 5.0862 5.6554 5.6554 6.5001 6.5001 8.0534 8.0534 9.9322 9.9322 13.1221 13.1221 15.3883 15.3883 k = 0.6005 0.0636 0.1627 ( 5602 PWs) bands (ev): -38.2122 -38.2122 -38.1005 -38.1005 -12.4055 -12.4055 -11.9146 -11.9146 0.4572 0.4572 1.6327 1.6327 1.7422 1.7422 2.4182 2.4182 3.1276 3.1276 3.5090 3.5090 4.9399 4.9399 5.0473 5.0473 5.6562 5.6562 6.5009 6.5009 8.0571 8.0571 9.9677 9.9677 13.0549 13.0549 15.4910 15.4910 k = 0.5946 0.0750 0.1531 ( 5598 PWs) bands (ev): -38.2138 -38.2138 -38.0990 -38.0990 -12.4021 -12.4021 -11.9166 -11.9166 0.4771 0.4771 1.6342 1.6342 1.7325 1.7325 2.4448 2.4448 3.1105 3.1105 3.5020 3.5020 4.9188 4.9188 5.0189 5.0189 5.6572 5.6572 6.5016 6.5016 8.0607 8.0607 10.0033 10.0033 12.9909 12.9909 15.5904 15.5904 k = 0.5887 0.0865 0.1435 ( 5590 PWs) bands (ev): -38.2152 -38.2152 -38.0977 -38.0977 -12.3990 -12.3990 -11.9185 -11.9185 0.4975 0.4975 1.6356 1.6356 1.7218 1.7218 2.4710 2.4710 3.0936 3.0936 3.4954 3.4954 4.8880 4.8880 5.0019 5.0019 5.6582 5.6582 6.5022 6.5022 8.0640 8.0640 10.0388 10.0388 12.9300 12.9300 15.6854 15.6854 k = 0.5828 0.0979 0.1340 ( 5586 PWs) bands (ev): -38.2166 -38.2166 -38.0964 -38.0964 -12.3960 -12.3960 -11.9202 -11.9202 0.5183 0.5183 1.6368 1.6368 1.7104 1.7104 2.4966 2.4966 3.0770 3.0770 3.4892 3.4892 4.8516 4.8516 4.9925 4.9925 5.6593 5.6593 6.5028 6.5028 8.0671 8.0671 10.0739 10.0739 12.8724 12.8724 15.7752 15.7752 k = 0.5769 0.1094 0.1244 ( 5594 PWs) bands (ev): -38.2179 -38.2179 -38.0952 -38.0952 -12.3932 -12.3932 -11.9218 -11.9218 0.5394 0.5394 1.6379 1.6379 1.6982 1.6982 2.5217 2.5217 3.0606 3.0606 3.4833 3.4833 4.8136 4.8136 4.9871 4.9871 5.6604 5.6604 6.5032 6.5032 8.0700 8.0700 10.1082 10.1082 12.8182 12.8182 15.8585 15.8585 k = 0.5710 0.1208 0.1148 ( 5596 PWs) bands (ev): -38.2191 -38.2191 -38.0941 -38.0941 -12.3906 -12.3906 -11.9232 -11.9232 0.5606 0.5606 1.6388 1.6388 1.6856 1.6856 2.5462 2.5462 3.0445 3.0445 3.4778 3.4778 4.7761 4.7761 4.9835 4.9835 5.6615 5.6615 6.5036 6.5036 8.0726 8.0726 10.1414 10.1414 12.7676 12.7676 15.9343 15.9343 k = 0.5651 0.1323 0.1053 ( 5592 PWs) bands (ev): -38.2202 -38.2202 -38.0931 -38.0931 -12.3881 -12.3881 -11.9245 -11.9245 0.5817 0.5817 1.6394 1.6394 1.6728 1.6728 2.5700 2.5700 3.0286 3.0286 3.4726 3.4726 4.7402 4.7402 4.9811 4.9811 5.6625 5.6625 6.5039 6.5039 8.0751 8.0751 10.1732 10.1732 12.7206 12.7206 16.0018 16.0018 k = 0.5591 0.1437 0.0957 ( 5590 PWs) bands (ev): -38.2212 -38.2212 -38.0921 -38.0921 -12.3859 -12.3859 -11.9257 -11.9257 0.6024 0.6024 1.6391 1.6391 1.6604 1.6604 2.5931 2.5931 3.0129 3.0129 3.4679 3.4679 4.7065 4.7065 4.9792 4.9792 5.6635 5.6635 6.5042 6.5042 8.0774 8.0774 10.2034 10.2034 12.6773 12.6773 16.0601 16.0601 k = 0.5532 0.1552 0.0861 ( 5586 PWs) bands (ev): -38.2221 -38.2221 -38.0913 -38.0913 -12.3838 -12.3838 -11.9268 -11.9268 0.6226 0.6226 1.6361 1.6361 1.6506 1.6506 2.6154 2.6154 2.9975 2.9975 3.4636 3.4636 4.6753 4.6753 4.9778 4.9778 5.6645 5.6645 6.5044 6.5044 8.0794 8.0794 10.2316 10.2316 12.6378 12.6378 16.1093 16.1093 k = 0.5473 0.1666 0.0766 ( 5584 PWs) bands (ev): -38.2230 -38.2230 -38.0905 -38.0905 -12.3820 -12.3820 -11.9278 -11.9278 0.6420 0.6420 1.6272 1.6272 1.6468 1.6468 2.6368 2.6368 2.9824 2.9824 3.4598 3.4598 4.6470 4.6470 4.9767 4.9767 5.6654 5.6654 6.5046 6.5046 8.0812 8.0812 10.2577 10.2577 12.6023 12.6023 16.1495 16.1495 k = 0.5414 0.1781 0.0670 ( 5588 PWs) bands (ev): -38.2237 -38.2237 -38.0898 -38.0898 -12.3804 -12.3804 -11.9286 -11.9286 0.6602 0.6602 1.6156 1.6156 1.6461 1.6461 2.6572 2.6572 2.9677 2.9677 3.4564 3.4564 4.6217 4.6217 4.9758 4.9758 5.6662 5.6662 6.5048 6.5048 8.0829 8.0829 10.2813 10.2813 12.5708 12.5708 16.1815 16.1815 k = 0.5355 0.1895 0.0574 ( 5586 PWs) bands (ev): -38.2244 -38.2244 -38.0892 -38.0892 -12.3789 -12.3789 -11.9293 -11.9293 0.6769 0.6769 1.6040 1.6040 1.6462 1.6462 2.6764 2.6764 2.9534 2.9534 3.4534 3.4534 4.5995 4.5995 4.9750 4.9750 5.6669 5.6669 6.5049 6.5049 8.0843 8.0843 10.3023 10.3023 12.5433 12.5433 16.2065 16.2065 k = 0.5296 0.2010 0.0478 ( 5584 PWs) bands (ev): -38.2249 -38.2249 -38.0887 -38.0887 -12.3777 -12.3777 -11.9299 -11.9299 0.6918 0.6918 1.5932 1.5932 1.6464 1.6464 2.6943 2.6943 2.9399 2.9399 3.4508 3.4508 4.5805 4.5805 4.9744 4.9744 5.6675 5.6675 6.5050 6.5050 8.0854 8.0854 10.3204 10.3204 12.5199 12.5199 16.2254 16.2254 k = 0.5237 0.2124 0.0383 ( 5592 PWs) bands (ev): -38.2254 -38.2254 -38.0883 -38.0883 -12.3767 -12.3767 -11.9304 -11.9304 0.7046 0.7046 1.5837 1.5837 1.6466 1.6466 2.7104 2.7104 2.9273 2.9273 3.4487 3.4487 4.5649 4.5649 4.9740 4.9740 5.6680 5.6680 6.5051 6.5051 8.0864 8.0864 10.3355 10.3355 12.5007 12.5007 16.2394 16.2394 k = 0.5177 0.2239 0.0287 ( 5588 PWs) bands (ev): -38.2257 -38.2257 -38.0880 -38.0880 -12.3760 -12.3760 -11.9308 -11.9308 0.7150 0.7150 1.5759 1.5759 1.6468 1.6468 2.7243 2.7243 2.9162 2.9162 3.4471 3.4471 4.5528 4.5528 4.9736 4.9736 5.6684 5.6684 6.5052 6.5052 8.0872 8.0872 10.3474 10.3474 12.4857 12.4857 16.2493 16.2493 k = 0.5118 0.2353 0.0191 ( 5580 PWs) bands (ev): -38.2260 -38.2260 -38.0877 -38.0877 -12.3754 -12.3754 -11.9311 -11.9311 0.7226 0.7226 1.5701 1.5701 1.6470 1.6470 2.7353 2.7353 2.9072 2.9072 3.4459 3.4459 4.5440 4.5440 4.9733 4.9733 5.6686 5.6686 6.5052 6.5052 8.0877 8.0877 10.3560 10.3560 12.4750 12.4750 16.2559 16.2559 k = 0.5059 0.2468 0.0096 ( 5576 PWs) bands (ev): -38.2261 -38.2261 -38.0876 -38.0876 -12.3751 -12.3751 -11.9312 -11.9312 0.7273 0.7273 1.5666 1.5666 1.6471 1.6471 2.7424 2.7424 2.9012 2.9012 3.4452 3.4452 4.5388 4.5388 4.9732 4.9732 5.6688 5.6688 6.5052 6.5052 8.0880 8.0880 10.3611 10.3611 12.4686 12.4686 16.2596 16.2596 k = 0.5000 0.2582 0.0000 ( 5568 PWs) bands (ev): -38.2261 -38.2261 -38.0876 -38.0876 -12.3750 -12.3750 -11.9313 -11.9313 0.7288 0.7288 1.5654 1.5654 1.6471 1.6471 2.7449 2.7449 2.8992 2.8992 3.4450 3.4450 4.5370 4.5370 4.9731 4.9731 5.6689 5.6689 6.5052 6.5052 8.0881 8.0881 10.3629 10.3629 12.4664 12.4664 16.2608 16.2608 Writing output data file Li2NiO2.save init_run : 0.22s CPU 0.48s WALL ( 1 calls) electrons : 244.65s CPU 247.50s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 244.65s CPU 247.49s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.01s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.09s WALL ( 498 calls) cegterg : 216.60s CPU 218.64s WALL ( 628 calls) Called by sum_band: Called by *egterg: h_psi : 178.43s CPU 180.04s WALL ( 10290 calls) s_psi : 2.91s CPU 2.94s WALL ( 10290 calls) g_psi : 0.36s CPU 0.31s WALL ( 9164 calls) cdiaghg : 44.32s CPU 44.96s WALL ( 9662 calls) cegterg:over : 5.47s CPU 5.54s WALL ( 9164 calls) cegterg:upda : 5.24s CPU 5.35s WALL ( 9164 calls) cegterg:last : 2.54s CPU 2.53s WALL ( 1624 calls) cdiaghg:chol : 2.60s CPU 2.55s WALL ( 9662 calls) cdiaghg:inve : 1.42s CPU 1.35s WALL ( 9662 calls) cdiaghg:para : 2.44s CPU 2.53s WALL ( 19324 calls) Called by h_psi: h_psi:vloc : 170.59s CPU 172.07s WALL ( 10290 calls) h_psi:vnl : 7.60s CPU 7.68s WALL ( 10290 calls) add_vuspsi : 3.61s CPU 3.59s WALL ( 10290 calls) General routines calbec : 3.97s CPU 4.06s WALL ( 10290 calls) fft : 0.00s CPU 0.01s WALL ( 15 calls) fftw : 161.99s CPU 163.45s WALL ( 804176 calls) davcio : 0.24s CPU 0.32s WALL ( 996 calls) Parallel routines fft_scatter : 48.87s CPU 49.51s WALL ( 804191 calls) PWSCF : 4m25.92s CPU 4m56.64s WALL This run was terminated on: 20:31:33 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=