Program PWSCF v.5.1.1 starts on 12Jun2016 at 16:32:14 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./MgSiAs2.save/ file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 101 62 17 3286 1563 231 Max 102 63 18 3289 1585 234 Sum 4893 2987 827 157837 75503 11127 bravais-lattice index = 14 lattice parameter (alat) = 12.8571 a.u. unit-cell volume = 1233.5908 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 386.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.857098 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.636138 celldm(5)= -0.636138 celldm(6)= 0.272276 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.272276 0.962219 0.000000 ) a(3) = ( -0.636138 -0.481110 0.603210 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.282967 0.828899 ) b(2) = ( 0.000000 1.039264 0.828899 ) b(3) = ( 0.000000 0.000000 1.657798 ) PseudoPot. # 1 for As read from file: /home/autes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 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 Mg read from file: /home/autes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 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 1129 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 Si read from file: /home/autes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 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 As 5.00 74.92160 As( 1.00) Mg 10.00 24.30500 Mg( 1.00) Si 4.00 28.08550 Si( 1.00) No symmetry found (note: 1 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 272 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 2) = ( 0.0000000 0.0000000 0.0212538), wk = 0.0036765 k( 3) = ( 0.0000000 0.0000000 0.0425077), wk = 0.0036765 k( 4) = ( 0.0000000 0.0000000 0.0637615), wk = 0.0036765 k( 5) = ( 0.0000000 0.0000000 0.0850153), wk = 0.0036765 k( 6) = ( 0.0000000 0.0000000 0.1062691), wk = 0.0036765 k( 7) = ( 0.0000000 0.0000000 0.1275230), wk = 0.0036765 k( 8) = ( 0.0000000 0.0000000 0.1487768), wk = 0.0036765 k( 9) = ( 0.0000000 0.0000000 0.1700306), wk = 0.0036765 k( 10) = ( 0.0000000 0.0000000 0.1912844), wk = 0.0036765 k( 11) = ( 0.0000000 0.0000000 0.2125383), wk = 0.0036765 k( 12) = ( 0.0000000 0.0000000 0.2337921), wk = 0.0036765 k( 13) = ( 0.0000000 0.0000000 0.2550459), wk = 0.0036765 k( 14) = ( 0.0000000 0.0000000 0.2762997), wk = 0.0036765 k( 15) = ( 0.0000000 0.0000000 0.2975535), wk = 0.0036765 k( 16) = ( 0.0000000 0.0000000 0.3188074), wk = 0.0036765 k( 17) = ( 0.0000000 0.0000000 0.3400612), wk = 0.0036765 k( 18) = ( 0.0000000 0.0000000 0.3613150), wk = 0.0036765 k( 19) = ( 0.0000000 0.0000000 0.3825688), wk = 0.0036765 k( 20) = ( 0.0000000 0.0000000 0.4038227), wk = 0.0036765 k( 21) = ( 0.0000000 0.0000000 0.4250765), wk = 0.0036765 k( 22) = ( 0.0000000 0.0000000 0.4463303), wk = 0.0036765 k( 23) = ( 0.0000000 0.0000000 0.4675841), wk = 0.0036765 k( 24) = ( 0.0000000 0.0000000 0.4888380), wk = 0.0036765 k( 25) = ( 0.0000000 0.0000000 0.5100918), wk = 0.0036765 k( 26) = ( 0.0000000 0.0000000 0.5313456), wk = 0.0036765 k( 27) = ( 0.0000000 0.0000000 0.5525994), wk = 0.0036765 k( 28) = ( 0.0000000 0.0000000 0.5738533), wk = 0.0036765 k( 29) = ( 0.0000000 0.0000000 0.5951071), wk = 0.0036765 k( 30) = ( 0.0000000 0.0000000 0.6163609), wk = 0.0036765 k( 31) = ( 0.0000000 0.0000000 0.6376147), wk = 0.0036765 k( 32) = ( 0.0000000 0.0000000 0.6588686), wk = 0.0036765 k( 33) = ( 0.0000000 0.0000000 0.6801224), wk = 0.0036765 k( 34) = ( 0.0000000 0.0000000 0.7013762), wk = 0.0036765 k( 35) = ( 0.0000000 0.0000000 0.7226301), wk = 0.0036765 k( 36) = ( 0.0000000 0.0000000 0.7438839), wk = 0.0036765 k( 37) = ( 0.0000000 0.0000000 0.7651377), wk = 0.0036765 k( 38) = ( 0.0000000 0.0000000 0.7863915), wk = 0.0036765 k( 39) = ( 0.0000000 0.0000000 0.8076454), wk = 0.0036765 k( 40) = ( 0.0000000 0.0000000 0.8288992), wk = 0.0036765 k( 41) = ( 0.0000000 0.0000000 0.8288992), wk = 0.0036765 k( 42) = ( -0.0129997 0.0171886 0.8288992), wk = 0.0036765 k( 43) = ( -0.0259994 0.0343772 0.8288992), wk = 0.0036765 k( 44) = ( -0.0389990 0.0515657 0.8288992), wk = 0.0036765 k( 45) = ( -0.0519987 0.0687543 0.8288992), wk = 0.0036765 k( 46) = ( -0.0649984 0.0859429 0.8288992), wk = 0.0036765 k( 47) = ( -0.0779980 0.1031315 0.8288992), wk = 0.0036765 k( 48) = ( -0.0909977 0.1203200 0.8288992), wk = 0.0036765 k( 49) = ( -0.1039974 0.1375086 0.8288992), wk = 0.0036765 k( 50) = ( -0.1169971 0.1546972 0.8288992), wk = 0.0036765 k( 51) = ( -0.1299968 0.1718858 0.8288992), wk = 0.0036765 k( 52) = ( -0.1429964 0.1890743 0.8288992), wk = 0.0036765 k( 53) = ( -0.1429964 0.1890743 0.8288992), wk = 0.0036765 k( 54) = ( -0.1519215 0.2008754 0.8141032), wk = 0.0036765 k( 55) = ( -0.1608466 0.2126764 0.7993072), wk = 0.0036765 k( 56) = ( -0.1697717 0.2244774 0.7845112), wk = 0.0036765 k( 57) = ( -0.1786968 0.2362785 0.7697152), wk = 0.0036765 k( 58) = ( -0.1876219 0.2480795 0.7549192), wk = 0.0036765 k( 59) = ( -0.1965470 0.2598805 0.7401232), wk = 0.0036765 k( 60) = ( -0.2054721 0.2716816 0.7253272), wk = 0.0036765 k( 61) = ( -0.2143972 0.2834826 0.7105312), wk = 0.0036765 k( 62) = ( -0.2233222 0.2952836 0.6957352), wk = 0.0036765 k( 63) = ( -0.2322473 0.3070847 0.6809392), wk = 0.0036765 k( 64) = ( -0.2411724 0.3188857 0.6661432), wk = 0.0036765 k( 65) = ( -0.2500975 0.3306867 0.6513472), wk = 0.0036765 k( 66) = ( -0.2590226 0.3424878 0.6365512), wk = 0.0036765 k( 67) = ( -0.2679477 0.3542888 0.6217552), wk = 0.0036765 k( 68) = ( -0.2768728 0.3660898 0.6069592), wk = 0.0036765 k( 69) = ( -0.2857979 0.3778908 0.5921632), wk = 0.0036765 k( 70) = ( -0.2947229 0.3896919 0.5773672), wk = 0.0036765 k( 71) = ( -0.3036480 0.4014929 0.5625712), wk = 0.0036765 k( 72) = ( -0.3125731 0.4132939 0.5477752), wk = 0.0036765 k( 73) = ( -0.3214982 0.4250950 0.5329792), wk = 0.0036765 k( 74) = ( -0.3214982 0.4250950 0.5329792), wk = 0.0036765 k( 75) = ( -0.3123126 0.4129494 0.5177512), wk = 0.0036765 k( 76) = ( -0.3031269 0.4008038 0.5025233), wk = 0.0036765 k( 77) = ( -0.2939412 0.3886583 0.4872953), wk = 0.0036765 k( 78) = ( -0.2847556 0.3765127 0.4720673), wk = 0.0036765 k( 79) = ( -0.2755699 0.3643671 0.4568393), wk = 0.0036765 k( 80) = ( -0.2663842 0.3522216 0.4416114), wk = 0.0036765 k( 81) = ( -0.2571986 0.3400760 0.4263834), wk = 0.0036765 k( 82) = ( -0.2480129 0.3279304 0.4111554), wk = 0.0036765 k( 83) = ( -0.2388272 0.3157848 0.3959274), wk = 0.0036765 k( 84) = ( -0.2296416 0.3036393 0.3806994), wk = 0.0036765 k( 85) = ( -0.2204559 0.2914937 0.3654715), wk = 0.0036765 k( 86) = ( -0.2112703 0.2793481 0.3502435), wk = 0.0036765 k( 87) = ( -0.2020846 0.2672026 0.3350155), wk = 0.0036765 k( 88) = ( -0.1928989 0.2550570 0.3197875), wk = 0.0036765 k( 89) = ( -0.1837133 0.2429114 0.3045596), wk = 0.0036765 k( 90) = ( -0.1745276 0.2307658 0.2893316), wk = 0.0036765 k( 91) = ( -0.1653419 0.2186203 0.2741036), wk = 0.0036765 k( 92) = ( -0.1561563 0.2064747 0.2588756), wk = 0.0036765 k( 93) = ( -0.1469706 0.1943291 0.2436476), wk = 0.0036765 k( 94) = ( -0.1377849 0.1821836 0.2284197), wk = 0.0036765 k( 95) = ( -0.1285993 0.1700380 0.2131917), wk = 0.0036765 k( 96) = ( -0.1194136 0.1578924 0.1979637), wk = 0.0036765 k( 97) = ( -0.1102280 0.1457468 0.1827357), wk = 0.0036765 k( 98) = ( -0.1010423 0.1336013 0.1675078), wk = 0.0036765 k( 99) = ( -0.0918566 0.1214557 0.1522798), wk = 0.0036765 k( 100) = ( -0.0826710 0.1093101 0.1370518), wk = 0.0036765 k( 101) = ( -0.0734853 0.0971646 0.1218238), wk = 0.0036765 k( 102) = ( -0.0642996 0.0850190 0.1065958), wk = 0.0036765 k( 103) = ( -0.0551140 0.0728734 0.0913679), wk = 0.0036765 k( 104) = ( -0.0459283 0.0607279 0.0761399), wk = 0.0036765 k( 105) = ( -0.0367427 0.0485823 0.0609119), wk = 0.0036765 k( 106) = ( -0.0275570 0.0364367 0.0456839), wk = 0.0036765 k( 107) = ( -0.0183713 0.0242911 0.0304560), wk = 0.0036765 k( 108) = ( -0.0091857 0.0121456 0.0152280), wk = 0.0036765 k( 109) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 111) = ( 0.0172414 0.0130396 0.0000000), wk = 0.0036765 k( 112) = ( 0.0344828 0.0260792 0.0000000), wk = 0.0036765 k( 113) = ( 0.0517241 0.0391188 0.0000000), wk = 0.0036765 k( 114) = ( 0.0689655 0.0521584 0.0000000), wk = 0.0036765 k( 115) = ( 0.0862069 0.0651981 0.0000000), wk = 0.0036765 k( 116) = ( 0.1034483 0.0782377 0.0000000), wk = 0.0036765 k( 117) = ( 0.1206897 0.0912773 0.0000000), wk = 0.0036765 k( 118) = ( 0.1379310 0.1043169 0.0000000), wk = 0.0036765 k( 119) = ( 0.1551724 0.1173565 0.0000000), wk = 0.0036765 k( 120) = ( 0.1724138 0.1303961 0.0000000), wk = 0.0036765 k( 121) = ( 0.1896552 0.1434357 0.0000000), wk = 0.0036765 k( 122) = ( 0.2068966 0.1564753 0.0000000), wk = 0.0036765 k( 123) = ( 0.2241379 0.1695149 -0.0000000), wk = 0.0036765 k( 124) = ( 0.2413793 0.1825545 0.0000000), wk = 0.0036765 k( 125) = ( 0.2586207 0.1955942 0.0000000), wk = 0.0036765 k( 126) = ( 0.2758621 0.2086338 0.0000000), wk = 0.0036765 k( 127) = ( 0.2931034 0.2216734 0.0000000), wk = 0.0036765 k( 128) = ( 0.3103448 0.2347130 0.0000000), wk = 0.0036765 k( 129) = ( 0.3275862 0.2477526 0.0000000), wk = 0.0036765 k( 130) = ( 0.3448276 0.2607922 0.0000000), wk = 0.0036765 k( 131) = ( 0.3620690 0.2738318 -0.0000000), wk = 0.0036765 k( 132) = ( 0.3793103 0.2868714 0.0000000), wk = 0.0036765 k( 133) = ( 0.3965517 0.2999110 0.0000000), wk = 0.0036765 k( 134) = ( 0.4137931 0.3129506 0.0000000), wk = 0.0036765 k( 135) = ( 0.4310345 0.3259902 -0.0000000), wk = 0.0036765 k( 136) = ( 0.4482759 0.3390299 -0.0000000), wk = 0.0036765 k( 137) = ( 0.4655172 0.3520695 0.0000000), wk = 0.0036765 k( 138) = ( 0.4827586 0.3651091 0.0000000), wk = 0.0036765 k( 139) = ( 0.5000000 0.3781487 0.0000000), wk = 0.0036765 k( 140) = ( 0.5000000 0.3781487 0.0000000), wk = 0.0036765 k( 141) = ( 0.4910749 0.3899497 0.0147960), wk = 0.0036765 k( 142) = ( 0.4821498 0.4017508 0.0295920), wk = 0.0036765 k( 143) = ( 0.4732247 0.4135518 0.0443880), wk = 0.0036765 k( 144) = ( 0.4642996 0.4253528 0.0591840), wk = 0.0036765 k( 145) = ( 0.4553745 0.4371539 0.0739800), wk = 0.0036765 k( 146) = ( 0.4464495 0.4489549 0.0887760), wk = 0.0036765 k( 147) = ( 0.4375244 0.4607559 0.1035720), wk = 0.0036765 k( 148) = ( 0.4285993 0.4725569 0.1183680), wk = 0.0036765 k( 149) = ( 0.4196742 0.4843580 0.1331640), wk = 0.0036765 k( 150) = ( 0.4107491 0.4961590 0.1479600), wk = 0.0036765 k( 151) = ( 0.4018240 0.5079600 0.1627560), wk = 0.0036765 k( 152) = ( 0.3928989 0.5197611 0.1775520), wk = 0.0036765 k( 153) = ( 0.3839738 0.5315621 0.1923480), wk = 0.0036765 k( 154) = ( 0.3750487 0.5433631 0.2071440), wk = 0.0036765 k( 155) = ( 0.3661237 0.5551642 0.2219400), wk = 0.0036765 k( 156) = ( 0.3571986 0.5669652 0.2367360), wk = 0.0036765 k( 157) = ( 0.3482735 0.5787662 0.2515320), wk = 0.0036765 k( 158) = ( 0.3393484 0.5905673 0.2663280), wk = 0.0036765 k( 159) = ( 0.3304233 0.6023683 0.2811240), wk = 0.0036765 k( 160) = ( 0.3214982 0.6141693 0.2959200), wk = 0.0036765 k( 161) = ( 0.3214982 0.6141693 0.2959200), wk = 0.0036765 k( 162) = ( 0.3025866 0.6086083 0.3028923), wk = 0.0036765 k( 163) = ( 0.2836749 0.6030473 0.3098646), wk = 0.0036765 k( 164) = ( 0.2647632 0.5974863 0.3168370), wk = 0.0036765 k( 165) = ( 0.2458516 0.5919253 0.3238093), wk = 0.0036765 k( 166) = ( 0.2269399 0.5863643 0.3307816), wk = 0.0036765 k( 167) = ( 0.2080283 0.5808033 0.3377539), wk = 0.0036765 k( 168) = ( 0.1891166 0.5752422 0.3447263), wk = 0.0036765 k( 169) = ( 0.1702049 0.5696812 0.3516986), wk = 0.0036765 k( 170) = ( 0.1512933 0.5641202 0.3586709), wk = 0.0036765 k( 171) = ( 0.1323816 0.5585592 0.3656433), wk = 0.0036765 k( 172) = ( 0.1134700 0.5529982 0.3726156), wk = 0.0036765 k( 173) = ( 0.0945583 0.5474372 0.3795879), wk = 0.0036765 k( 174) = ( 0.0756466 0.5418762 0.3865603), wk = 0.0036765 k( 175) = ( 0.0567350 0.5363152 0.3935326), wk = 0.0036765 k( 176) = ( 0.0378233 0.5307542 0.4005049), wk = 0.0036765 k( 177) = ( 0.0189117 0.5251932 0.4074773), wk = 0.0036765 k( 178) = ( 0.0000000 0.5196321 0.4144496), wk = 0.0036765 k( 179) = ( 0.0000000 0.5196321 0.4144496), wk = 0.0036765 k( 180) = ( 0.0089286 0.5078265 0.4292514), wk = 0.0036765 k( 181) = ( 0.0178571 0.4960209 0.4440531), wk = 0.0036765 k( 182) = ( 0.0267857 0.4842152 0.4588549), wk = 0.0036765 k( 183) = ( 0.0357143 0.4724096 0.4736567), wk = 0.0036765 k( 184) = ( 0.0446429 0.4606040 0.4884584), wk = 0.0036765 k( 185) = ( 0.0535714 0.4487983 0.5032602), wk = 0.0036765 k( 186) = ( 0.0625000 0.4369927 0.5180620), wk = 0.0036765 k( 187) = ( 0.0714286 0.4251871 0.5328638), wk = 0.0036765 k( 188) = ( 0.0803571 0.4133814 0.5476655), wk = 0.0036765 k( 189) = ( 0.0892857 0.4015758 0.5624673), wk = 0.0036765 k( 190) = ( 0.0982143 0.3897701 0.5772691), wk = 0.0036765 k( 191) = ( 0.1071429 0.3779645 0.5920708), wk = 0.0036765 k( 192) = ( 0.1160714 0.3661589 0.6068726), wk = 0.0036765 k( 193) = ( 0.1250000 0.3543532 0.6216744), wk = 0.0036765 k( 194) = ( 0.1339286 0.3425476 0.6364761), wk = 0.0036765 k( 195) = ( 0.1428571 0.3307420 0.6512779), wk = 0.0036765 k( 196) = ( 0.1517857 0.3189363 0.6660797), wk = 0.0036765 k( 197) = ( 0.1607143 0.3071307 0.6808815), wk = 0.0036765 k( 198) = ( 0.1696429 0.2953251 0.6956832), wk = 0.0036765 k( 199) = ( 0.1785714 0.2835194 0.7104850), wk = 0.0036765 k( 200) = ( 0.1875000 0.2717138 0.7252868), wk = 0.0036765 k( 201) = ( 0.1964286 0.2599082 0.7400885), wk = 0.0036765 k( 202) = ( 0.2053571 0.2481025 0.7548903), wk = 0.0036765 k( 203) = ( 0.2142857 0.2362969 0.7696921), wk = 0.0036765 k( 204) = ( 0.2232143 0.2244912 0.7844939), wk = 0.0036765 k( 205) = ( 0.2321429 0.2126856 0.7992956), wk = 0.0036765 k( 206) = ( 0.2410714 0.2008800 0.8140974), wk = 0.0036765 k( 207) = ( 0.2500000 0.1890743 0.8288992), wk = 0.0036765 k( 208) = ( 0.2500000 0.1890743 0.8288992), wk = 0.0036765 k( 209) = ( 0.2631579 0.1990256 0.8164224), wk = 0.0036765 k( 210) = ( 0.2763158 0.2089769 0.8039456), wk = 0.0036765 k( 211) = ( 0.2894737 0.2189282 0.7914688), wk = 0.0036765 k( 212) = ( 0.3026316 0.2288795 0.7789920), wk = 0.0036765 k( 213) = ( 0.3157895 0.2388308 0.7665152), wk = 0.0036765 k( 214) = ( 0.3289474 0.2487820 0.7540384), wk = 0.0036765 k( 215) = ( 0.3421053 0.2587333 0.7415615), wk = 0.0036765 k( 216) = ( 0.3552632 0.2686846 0.7290848), wk = 0.0036765 k( 217) = ( 0.3684211 0.2786359 0.7166079), wk = 0.0036765 k( 218) = ( 0.3815789 0.2885872 0.7041311), wk = 0.0036765 k( 219) = ( 0.3947368 0.2985384 0.6916543), wk = 0.0036765 k( 220) = ( 0.4078947 0.3084897 0.6791776), wk = 0.0036765 k( 221) = ( 0.4210526 0.3184410 0.6667007), wk = 0.0036765 k( 222) = ( 0.4342105 0.3283923 0.6542239), wk = 0.0036765 k( 223) = ( 0.4473684 0.3383436 0.6417471), wk = 0.0036765 k( 224) = ( 0.4605263 0.3482949 0.6292703), wk = 0.0036765 k( 225) = ( 0.4736842 0.3582461 0.6167935), wk = 0.0036765 k( 226) = ( 0.4868421 0.3681974 0.6043167), wk = 0.0036765 k( 227) = ( 0.5000000 0.3781487 0.5918399), wk = 0.0036765 k( 228) = ( 0.5000000 0.3781487 0.5918399), wk = 0.0036765 k( 229) = ( 0.5000000 0.3781487 0.5707028), wk = 0.0036765 k( 230) = ( 0.5000000 0.3781487 0.5495656), wk = 0.0036765 k( 231) = ( 0.5000000 0.3781487 0.5284285), wk = 0.0036765 k( 232) = ( 0.5000000 0.3781487 0.5072914), wk = 0.0036765 k( 233) = ( 0.5000000 0.3781487 0.4861542), wk = 0.0036765 k( 234) = ( 0.5000000 0.3781487 0.4650171), wk = 0.0036765 k( 235) = ( 0.5000000 0.3781487 0.4438799), wk = 0.0036765 k( 236) = ( 0.5000000 0.3781487 0.4227428), wk = 0.0036765 k( 237) = ( 0.5000000 0.3781487 0.4016057), wk = 0.0036765 k( 238) = ( 0.5000000 0.3781487 0.3804685), wk = 0.0036765 k( 239) = ( 0.5000000 0.3781487 0.3593314), wk = 0.0036765 k( 240) = ( 0.5000000 0.3781487 0.3381942), wk = 0.0036765 k( 241) = ( 0.5000000 0.3781487 0.3170571), wk = 0.0036765 k( 242) = ( 0.5000000 0.3781487 0.2959200), wk = 0.0036765 k( 243) = ( 0.5000000 0.3781487 0.2747828), wk = 0.0036765 k( 244) = ( 0.5000000 0.3781487 0.2536457), wk = 0.0036765 k( 245) = ( 0.5000000 0.3781487 0.2325085), wk = 0.0036765 k( 246) = ( 0.5000000 0.3781487 0.2113714), wk = 0.0036765 k( 247) = ( 0.5000000 0.3781487 0.1902343), wk = 0.0036765 k( 248) = ( 0.5000000 0.3781487 0.1690971), wk = 0.0036765 k( 249) = ( 0.5000000 0.3781487 0.1479600), wk = 0.0036765 k( 250) = ( 0.5000000 0.3781487 0.1268228), wk = 0.0036765 k( 251) = ( 0.5000000 0.3781487 0.1056857), wk = 0.0036765 k( 252) = ( 0.5000000 0.3781487 0.0845486), wk = 0.0036765 k( 253) = ( 0.5000000 0.3781487 0.0634114), wk = 0.0036765 k( 254) = ( 0.5000000 0.3781487 0.0422743), wk = 0.0036765 k( 255) = ( 0.5000000 0.3781487 0.0211371), wk = 0.0036765 k( 256) = ( 0.5000000 0.3781487 0.0000000), wk = 0.0036765 k( 257) = ( 0.0000000 0.0000000 0.8288992), wk = 0.0036765 k( 258) = ( 0.0166667 0.0126050 0.8288992), wk = 0.0036765 k( 259) = ( 0.0333333 0.0252099 0.8288992), wk = 0.0036765 k( 260) = ( 0.0500000 0.0378149 0.8288992), wk = 0.0036765 k( 261) = ( 0.0666667 0.0504198 0.8288992), wk = 0.0036765 k( 262) = ( 0.0833333 0.0630248 0.8288992), wk = 0.0036765 k( 263) = ( 0.1000000 0.0756297 0.8288992), wk = 0.0036765 k( 264) = ( 0.1166667 0.0882347 0.8288992), wk = 0.0036765 k( 265) = ( 0.1333333 0.1008396 0.8288992), wk = 0.0036765 k( 266) = ( 0.1500000 0.1134446 0.8288992), wk = 0.0036765 k( 267) = ( 0.1666667 0.1260496 0.8288992), wk = 0.0036765 k( 268) = ( 0.1833333 0.1386545 0.8288992), wk = 0.0036765 k( 269) = ( 0.2000000 0.1512595 0.8288992), wk = 0.0036765 k( 270) = ( 0.2166667 0.1638644 0.8288992), wk = 0.0036765 k( 271) = ( 0.2333333 0.1764694 0.8288992), wk = 0.0036765 k( 272) = ( 0.2500000 0.1890743 0.8288992), wk = 0.0036765 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 2) = ( 0.0000000 0.0000000 0.0128205), wk = 0.0036765 k( 3) = ( 0.0000000 0.0000000 0.0256410), wk = 0.0036765 k( 4) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0036765 k( 5) = ( 0.0000000 0.0000000 0.0512821), wk = 0.0036765 k( 6) = ( 0.0000000 0.0000000 0.0641026), wk = 0.0036765 k( 7) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0036765 k( 8) = ( 0.0000000 0.0000000 0.0897436), wk = 0.0036765 k( 9) = ( 0.0000000 0.0000000 0.1025641), wk = 0.0036765 k( 10) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0036765 k( 11) = ( 0.0000000 0.0000000 0.1282051), wk = 0.0036765 k( 12) = ( 0.0000000 0.0000000 0.1410256), wk = 0.0036765 k( 13) = ( 0.0000000 0.0000000 0.1538462), wk = 0.0036765 k( 14) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0036765 k( 15) = ( 0.0000000 0.0000000 0.1794872), wk = 0.0036765 k( 16) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0036765 k( 17) = ( 0.0000000 0.0000000 0.2051282), wk = 0.0036765 k( 18) = ( 0.0000000 0.0000000 0.2179487), wk = 0.0036765 k( 19) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0036765 k( 20) = ( 0.0000000 0.0000000 0.2435897), wk = 0.0036765 k( 21) = ( 0.0000000 0.0000000 0.2564103), wk = 0.0036765 k( 22) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0036765 k( 23) = ( 0.0000000 0.0000000 0.2820513), wk = 0.0036765 k( 24) = ( 0.0000000 0.0000000 0.2948718), wk = 0.0036765 k( 25) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0036765 k( 26) = ( 0.0000000 0.0000000 0.3205128), wk = 0.0036765 k( 27) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0036765 k( 28) = ( 0.0000000 0.0000000 0.3461539), wk = 0.0036765 k( 29) = ( 0.0000000 0.0000000 0.3589744), wk = 0.0036765 k( 30) = ( 0.0000000 0.0000000 0.3717949), wk = 0.0036765 k( 31) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0036765 k( 32) = ( 0.0000000 0.0000000 0.3974359), wk = 0.0036765 k( 33) = ( 0.0000000 0.0000000 0.4102564), wk = 0.0036765 k( 34) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0036765 k( 35) = ( 0.0000000 0.0000000 0.4358974), wk = 0.0036765 k( 36) = ( 0.0000000 0.0000000 0.4487179), wk = 0.0036765 k( 37) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0036765 k( 38) = ( 0.0000000 0.0000000 0.4743590), wk = 0.0036765 k( 39) = ( 0.0000000 0.0000000 0.4871795), wk = 0.0036765 k( 40) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036765 k( 41) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036765 k( 42) = ( -0.0129997 0.0129997 0.5000000), wk = 0.0036765 k( 43) = ( -0.0259994 0.0259994 0.5000000), wk = 0.0036765 k( 44) = ( -0.0389990 0.0389990 0.5000000), wk = 0.0036765 k( 45) = ( -0.0519987 0.0519987 0.5000000), wk = 0.0036765 k( 46) = ( -0.0649984 0.0649984 0.5000000), wk = 0.0036765 k( 47) = ( -0.0779980 0.0779980 0.5000000), wk = 0.0036765 k( 48) = ( -0.0909977 0.0909977 0.5000000), wk = 0.0036765 k( 49) = ( -0.1039974 0.1039974 0.5000000), wk = 0.0036765 k( 50) = ( -0.1169971 0.1169971 0.5000000), wk = 0.0036765 k( 51) = ( -0.1299968 0.1299968 0.5000000), wk = 0.0036765 k( 52) = ( -0.1429964 0.1429964 0.5000000), wk = 0.0036765 k( 53) = ( -0.1429964 0.1429964 0.5000000), wk = 0.0036765 k( 54) = ( -0.1519215 0.1519215 0.4910749), wk = 0.0036765 k( 55) = ( -0.1608466 0.1608466 0.4821498), wk = 0.0036765 k( 56) = ( -0.1697717 0.1697717 0.4732247), wk = 0.0036765 k( 57) = ( -0.1786968 0.1786968 0.4642996), wk = 0.0036765 k( 58) = ( -0.1876219 0.1876219 0.4553746), wk = 0.0036765 k( 59) = ( -0.1965470 0.1965470 0.4464495), wk = 0.0036765 k( 60) = ( -0.2054721 0.2054721 0.4375244), wk = 0.0036765 k( 61) = ( -0.2143972 0.2143972 0.4285993), wk = 0.0036765 k( 62) = ( -0.2233222 0.2233222 0.4196742), wk = 0.0036765 k( 63) = ( -0.2322473 0.2322473 0.4107491), wk = 0.0036765 k( 64) = ( -0.2411724 0.2411724 0.4018240), wk = 0.0036765 k( 65) = ( -0.2500975 0.2500975 0.3928989), wk = 0.0036765 k( 66) = ( -0.2590226 0.2590226 0.3839738), wk = 0.0036765 k( 67) = ( -0.2679477 0.2679477 0.3750488), wk = 0.0036765 k( 68) = ( -0.2768728 0.2768728 0.3661237), wk = 0.0036765 k( 69) = ( -0.2857979 0.2857979 0.3571986), wk = 0.0036765 k( 70) = ( -0.2947229 0.2947230 0.3482735), wk = 0.0036765 k( 71) = ( -0.3036480 0.3036480 0.3393484), wk = 0.0036765 k( 72) = ( -0.3125731 0.3125731 0.3304233), wk = 0.0036765 k( 73) = ( -0.3214982 0.3214982 0.3214982), wk = 0.0036765 k( 74) = ( -0.3214982 0.3214982 0.3214982), wk = 0.0036765 k( 75) = ( -0.3123126 0.3123126 0.3123126), wk = 0.0036765 k( 76) = ( -0.3031269 0.3031269 0.3031269), wk = 0.0036765 k( 77) = ( -0.2939412 0.2939412 0.2939412), wk = 0.0036765 k( 78) = ( -0.2847556 0.2847556 0.2847556), wk = 0.0036765 k( 79) = ( -0.2755699 0.2755699 0.2755699), wk = 0.0036765 k( 80) = ( -0.2663842 0.2663842 0.2663842), wk = 0.0036765 k( 81) = ( -0.2571986 0.2571986 0.2571986), wk = 0.0036765 k( 82) = ( -0.2480129 0.2480129 0.2480129), wk = 0.0036765 k( 83) = ( -0.2388272 0.2388273 0.2388272), wk = 0.0036765 k( 84) = ( -0.2296416 0.2296416 0.2296416), wk = 0.0036765 k( 85) = ( -0.2204559 0.2204559 0.2204559), wk = 0.0036765 k( 86) = ( -0.2112703 0.2112703 0.2112703), wk = 0.0036765 k( 87) = ( -0.2020846 0.2020846 0.2020846), wk = 0.0036765 k( 88) = ( -0.1928989 0.1928989 0.1928989), wk = 0.0036765 k( 89) = ( -0.1837133 0.1837133 0.1837133), wk = 0.0036765 k( 90) = ( -0.1745276 0.1745276 0.1745276), wk = 0.0036765 k( 91) = ( -0.1653419 0.1653419 0.1653419), wk = 0.0036765 k( 92) = ( -0.1561563 0.1561563 0.1561563), wk = 0.0036765 k( 93) = ( -0.1469706 0.1469706 0.1469706), wk = 0.0036765 k( 94) = ( -0.1377849 0.1377849 0.1377850), wk = 0.0036765 k( 95) = ( -0.1285993 0.1285993 0.1285993), wk = 0.0036765 k( 96) = ( -0.1194136 0.1194136 0.1194136), wk = 0.0036765 k( 97) = ( -0.1102280 0.1102280 0.1102280), wk = 0.0036765 k( 98) = ( -0.1010423 0.1010423 0.1010423), wk = 0.0036765 k( 99) = ( -0.0918566 0.0918566 0.0918566), wk = 0.0036765 k( 100) = ( -0.0826710 0.0826710 0.0826710), wk = 0.0036765 k( 101) = ( -0.0734853 0.0734853 0.0734853), wk = 0.0036765 k( 102) = ( -0.0642996 0.0642996 0.0642996), wk = 0.0036765 k( 103) = ( -0.0551140 0.0551140 0.0551140), wk = 0.0036765 k( 104) = ( -0.0459283 0.0459283 0.0459283), wk = 0.0036765 k( 105) = ( -0.0367427 0.0367427 0.0367427), wk = 0.0036765 k( 106) = ( -0.0275570 0.0275570 0.0275570), wk = 0.0036765 k( 107) = ( -0.0183713 0.0183713 0.0183713), wk = 0.0036765 k( 108) = ( -0.0091857 0.0091857 0.0091857), wk = 0.0036765 k( 109) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 111) = ( 0.0172414 0.0172414 -0.0172414), wk = 0.0036765 k( 112) = ( 0.0344828 0.0344828 -0.0344828), wk = 0.0036765 k( 113) = ( 0.0517241 0.0517241 -0.0517241), wk = 0.0036765 k( 114) = ( 0.0689655 0.0689655 -0.0689655), wk = 0.0036765 k( 115) = ( 0.0862069 0.0862069 -0.0862069), wk = 0.0036765 k( 116) = ( 0.1034483 0.1034483 -0.1034483), wk = 0.0036765 k( 117) = ( 0.1206897 0.1206897 -0.1206897), wk = 0.0036765 k( 118) = ( 0.1379310 0.1379310 -0.1379310), wk = 0.0036765 k( 119) = ( 0.1551724 0.1551724 -0.1551724), wk = 0.0036765 k( 120) = ( 0.1724138 0.1724138 -0.1724138), wk = 0.0036765 k( 121) = ( 0.1896552 0.1896552 -0.1896552), wk = 0.0036765 k( 122) = ( 0.2068966 0.2068966 -0.2068966), wk = 0.0036765 k( 123) = ( 0.2241379 0.2241379 -0.2241379), wk = 0.0036765 k( 124) = ( 0.2413793 0.2413793 -0.2413793), wk = 0.0036765 k( 125) = ( 0.2586207 0.2586207 -0.2586207), wk = 0.0036765 k( 126) = ( 0.2758621 0.2758621 -0.2758621), wk = 0.0036765 k( 127) = ( 0.2931034 0.2931035 -0.2931035), wk = 0.0036765 k( 128) = ( 0.3103448 0.3103448 -0.3103448), wk = 0.0036765 k( 129) = ( 0.3275862 0.3275862 -0.3275862), wk = 0.0036765 k( 130) = ( 0.3448276 0.3448276 -0.3448276), wk = 0.0036765 k( 131) = ( 0.3620690 0.3620690 -0.3620690), wk = 0.0036765 k( 132) = ( 0.3793103 0.3793103 -0.3793103), wk = 0.0036765 k( 133) = ( 0.3965517 0.3965517 -0.3965517), wk = 0.0036765 k( 134) = ( 0.4137931 0.4137931 -0.4137931), wk = 0.0036765 k( 135) = ( 0.4310345 0.4310345 -0.4310345), wk = 0.0036765 k( 136) = ( 0.4482759 0.4482759 -0.4482759), wk = 0.0036765 k( 137) = ( 0.4655172 0.4655172 -0.4655172), wk = 0.0036765 k( 138) = ( 0.4827586 0.4827586 -0.4827586), wk = 0.0036765 k( 139) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036765 k( 140) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036765 k( 141) = ( 0.4910749 0.5089251 -0.4910749), wk = 0.0036765 k( 142) = ( 0.4821498 0.5178502 -0.4821498), wk = 0.0036765 k( 143) = ( 0.4732247 0.5267753 -0.4732247), wk = 0.0036765 k( 144) = ( 0.4642996 0.5357004 -0.4642996), wk = 0.0036765 k( 145) = ( 0.4553745 0.5446255 -0.4553745), wk = 0.0036765 k( 146) = ( 0.4464495 0.5535505 -0.4464495), wk = 0.0036765 k( 147) = ( 0.4375244 0.5624756 -0.4375244), wk = 0.0036765 k( 148) = ( 0.4285993 0.5714007 -0.4285993), wk = 0.0036765 k( 149) = ( 0.4196742 0.5803258 -0.4196742), wk = 0.0036765 k( 150) = ( 0.4107491 0.5892509 -0.4107491), wk = 0.0036765 k( 151) = ( 0.4018240 0.5981760 -0.4018240), wk = 0.0036765 k( 152) = ( 0.3928989 0.6071011 -0.3928989), wk = 0.0036765 k( 153) = ( 0.3839738 0.6160262 -0.3839738), wk = 0.0036765 k( 154) = ( 0.3750487 0.6249512 -0.3750487), wk = 0.0036765 k( 155) = ( 0.3661237 0.6338763 -0.3661237), wk = 0.0036765 k( 156) = ( 0.3571986 0.6428014 -0.3571986), wk = 0.0036765 k( 157) = ( 0.3482735 0.6517265 -0.3482735), wk = 0.0036765 k( 158) = ( 0.3393484 0.6606516 -0.3393484), wk = 0.0036765 k( 159) = ( 0.3304233 0.6695767 -0.3304233), wk = 0.0036765 k( 160) = ( 0.3214982 0.6785018 -0.3214982), wk = 0.0036765 k( 161) = ( 0.3214982 0.6785018 -0.3214982), wk = 0.0036765 k( 162) = ( 0.3025866 0.6680017 -0.3025866), wk = 0.0036765 k( 163) = ( 0.2836749 0.6575016 -0.2836749), wk = 0.0036765 k( 164) = ( 0.2647632 0.6470015 -0.2647632), wk = 0.0036765 k( 165) = ( 0.2458516 0.6365014 -0.2458516), wk = 0.0036765 k( 166) = ( 0.2269399 0.6260013 -0.2269399), wk = 0.0036765 k( 167) = ( 0.2080283 0.6155012 -0.2080283), wk = 0.0036765 k( 168) = ( 0.1891166 0.6050011 -0.1891166), wk = 0.0036765 k( 169) = ( 0.1702049 0.5945009 -0.1702049), wk = 0.0036765 k( 170) = ( 0.1512933 0.5840008 -0.1512933), wk = 0.0036765 k( 171) = ( 0.1323816 0.5735007 -0.1323816), wk = 0.0036765 k( 172) = ( 0.1134700 0.5630006 -0.1134700), wk = 0.0036765 k( 173) = ( 0.0945583 0.5525005 -0.0945583), wk = 0.0036765 k( 174) = ( 0.0756466 0.5420004 -0.0756466), wk = 0.0036765 k( 175) = ( 0.0567350 0.5315003 -0.0567350), wk = 0.0036765 k( 176) = ( 0.0378233 0.5210002 -0.0378233), wk = 0.0036765 k( 177) = ( 0.0189117 0.5105001 -0.0189117), wk = 0.0036765 k( 178) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036765 k( 179) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036765 k( 180) = ( 0.0089286 0.4910714 0.0089286), wk = 0.0036765 k( 181) = ( 0.0178571 0.4821429 0.0178571), wk = 0.0036765 k( 182) = ( 0.0267857 0.4732143 0.0267857), wk = 0.0036765 k( 183) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0036765 k( 184) = ( 0.0446429 0.4553571 0.0446429), wk = 0.0036765 k( 185) = ( 0.0535714 0.4464286 0.0535714), wk = 0.0036765 k( 186) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0036765 k( 187) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0036765 k( 188) = ( 0.0803571 0.4196429 0.0803571), wk = 0.0036765 k( 189) = ( 0.0892857 0.4107143 0.0892857), wk = 0.0036765 k( 190) = ( 0.0982143 0.4017857 0.0982143), wk = 0.0036765 k( 191) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0036765 k( 192) = ( 0.1160714 0.3839286 0.1160714), wk = 0.0036765 k( 193) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0036765 k( 194) = ( 0.1339286 0.3660714 0.1339286), wk = 0.0036765 k( 195) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0036765 k( 196) = ( 0.1517857 0.3482143 0.1517857), wk = 0.0036765 k( 197) = ( 0.1607143 0.3392857 0.1607143), wk = 0.0036765 k( 198) = ( 0.1696429 0.3303571 0.1696429), wk = 0.0036765 k( 199) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0036765 k( 200) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0036765 k( 201) = ( 0.1964286 0.3035714 0.1964286), wk = 0.0036765 k( 202) = ( 0.2053571 0.2946429 0.2053571), wk = 0.0036765 k( 203) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0036765 k( 204) = ( 0.2232143 0.2767857 0.2232143), wk = 0.0036765 k( 205) = ( 0.2321429 0.2678571 0.2321429), wk = 0.0036765 k( 206) = ( 0.2410714 0.2589286 0.2410714), wk = 0.0036765 k( 207) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036765 k( 208) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036765 k( 209) = ( 0.2631579 0.2631579 0.2293160), wk = 0.0036765 k( 210) = ( 0.2763158 0.2763158 0.2086320), wk = 0.0036765 k( 211) = ( 0.2894737 0.2894737 0.1879479), wk = 0.0036765 k( 212) = ( 0.3026316 0.3026316 0.1672639), wk = 0.0036765 k( 213) = ( 0.3157895 0.3157895 0.1465799), wk = 0.0036765 k( 214) = ( 0.3289474 0.3289474 0.1258959), wk = 0.0036765 k( 215) = ( 0.3421053 0.3421053 0.1052118), wk = 0.0036765 k( 216) = ( 0.3552632 0.3552632 0.0845278), wk = 0.0036765 k( 217) = ( 0.3684211 0.3684211 0.0638438), wk = 0.0036765 k( 218) = ( 0.3815789 0.3815789 0.0431598), wk = 0.0036765 k( 219) = ( 0.3947368 0.3947368 0.0224758), wk = 0.0036765 k( 220) = ( 0.4078947 0.4078947 0.0017917), wk = 0.0036765 k( 221) = ( 0.4210526 0.4210526 -0.0188923), wk = 0.0036765 k( 222) = ( 0.4342105 0.4342105 -0.0395763), wk = 0.0036765 k( 223) = ( 0.4473684 0.4473684 -0.0602603), wk = 0.0036765 k( 224) = ( 0.4605263 0.4605263 -0.0809444), wk = 0.0036765 k( 225) = ( 0.4736842 0.4736842 -0.1016284), wk = 0.0036765 k( 226) = ( 0.4868421 0.4868421 -0.1223124), wk = 0.0036765 k( 227) = ( 0.5000000 0.5000000 -0.1429964), wk = 0.0036765 k( 228) = ( 0.5000000 0.5000000 -0.1429964), wk = 0.0036765 k( 229) = ( 0.5000000 0.5000000 -0.1557466), wk = 0.0036765 k( 230) = ( 0.5000000 0.5000000 -0.1684967), wk = 0.0036765 k( 231) = ( 0.5000000 0.5000000 -0.1812468), wk = 0.0036765 k( 232) = ( 0.5000000 0.5000000 -0.1939969), wk = 0.0036765 k( 233) = ( 0.5000000 0.5000000 -0.2067471), wk = 0.0036765 k( 234) = ( 0.5000000 0.5000000 -0.2194972), wk = 0.0036765 k( 235) = ( 0.5000000 0.5000000 -0.2322473), wk = 0.0036765 k( 236) = ( 0.5000000 0.5000000 -0.2449975), wk = 0.0036765 k( 237) = ( 0.5000000 0.5000000 -0.2577476), wk = 0.0036765 k( 238) = ( 0.5000000 0.5000000 -0.2704977), wk = 0.0036765 k( 239) = ( 0.5000000 0.5000000 -0.2832478), wk = 0.0036765 k( 240) = ( 0.5000000 0.5000000 -0.2959980), wk = 0.0036765 k( 241) = ( 0.5000000 0.5000000 -0.3087481), wk = 0.0036765 k( 242) = ( 0.5000000 0.5000000 -0.3214982), wk = 0.0036765 k( 243) = ( 0.5000000 0.5000000 -0.3342483), wk = 0.0036765 k( 244) = ( 0.5000000 0.5000000 -0.3469985), wk = 0.0036765 k( 245) = ( 0.5000000 0.5000000 -0.3597486), wk = 0.0036765 k( 246) = ( 0.5000000 0.5000000 -0.3724987), wk = 0.0036765 k( 247) = ( 0.5000000 0.5000000 -0.3852488), wk = 0.0036765 k( 248) = ( 0.5000000 0.5000000 -0.3979990), wk = 0.0036765 k( 249) = ( 0.5000000 0.5000000 -0.4107491), wk = 0.0036765 k( 250) = ( 0.5000000 0.5000000 -0.4234992), wk = 0.0036765 k( 251) = ( 0.5000000 0.5000000 -0.4362494), wk = 0.0036765 k( 252) = ( 0.5000000 0.5000000 -0.4489995), wk = 0.0036765 k( 253) = ( 0.5000000 0.5000000 -0.4617496), wk = 0.0036765 k( 254) = ( 0.5000000 0.5000000 -0.4744997), wk = 0.0036765 k( 255) = ( 0.5000000 0.5000000 -0.4872499), wk = 0.0036765 k( 256) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036765 k( 257) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036765 k( 258) = ( 0.0166667 0.0166667 0.4833333), wk = 0.0036765 k( 259) = ( 0.0333333 0.0333333 0.4666667), wk = 0.0036765 k( 260) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0036765 k( 261) = ( 0.0666667 0.0666667 0.4333333), wk = 0.0036765 k( 262) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0036765 k( 263) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0036765 k( 264) = ( 0.1166667 0.1166667 0.3833333), wk = 0.0036765 k( 265) = ( 0.1333333 0.1333333 0.3666667), wk = 0.0036765 k( 266) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0036765 k( 267) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0036765 k( 268) = ( 0.1833333 0.1833333 0.3166667), wk = 0.0036765 k( 269) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0036765 k( 270) = ( 0.2166667 0.2166667 0.2833333), wk = 0.0036765 k( 271) = ( 0.2333333 0.2333333 0.2666667), wk = 0.0036765 k( 272) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036765 Dense grid: 157837 G-vectors FFT dimensions: ( 81, 81, 81) Smooth grid: 75503 G-vectors FFT dimensions: ( 64, 64, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.36 Mb ( 402, 58) NL pseudopotentials 0.47 Mb ( 201, 152) Each V/rho on FFT grid 0.20 Mb ( 13122) Each G-vector array 0.03 Mb ( 3289) G-vector shells 0.01 Mb ( 1483) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.42 Mb ( 402, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.27 Mb ( 152, 2, 58) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./MgSiAs2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 43.6 secs Computing kpt #: 2 total cpu time spent up to now is 47.1 secs Computing kpt #: 3 total cpu time spent up to now is 50.4 secs Computing kpt #: 4 total cpu time spent up to now is 53.7 secs Computing kpt #: 5 total cpu time spent up to now is 56.9 secs Computing kpt #: 6 total cpu time spent up to now is 60.3 secs Computing kpt #: 7 total cpu time spent up to now is 63.9 secs Computing kpt #: 8 total cpu time spent up to now is 67.5 secs Computing kpt #: 9 total cpu time spent up to now is 71.1 secs Computing kpt #: 10 total cpu time spent up to now is 74.6 secs Computing kpt #: 11 total cpu time spent up to now is 78.5 secs Computing kpt #: 12 total cpu time spent up to now is 82.4 secs Computing kpt #: 13 total cpu time spent up to now is 86.1 secs Computing kpt #: 14 total cpu time spent up to now is 89.9 secs Computing kpt #: 15 total cpu time spent up to now is 93.8 secs Computing kpt #: 16 total cpu time spent up to now is 97.9 secs Computing kpt #: 17 total cpu time spent up to now is 102.0 secs Computing kpt #: 18 total cpu time spent up to now is 106.0 secs Computing kpt #: 19 total cpu time spent up to now is 110.0 secs Computing kpt #: 20 total cpu time spent up to now is 116.3 secs Computing kpt #: 21 total cpu time spent up to now is 120.9 secs Computing kpt #: 22 total cpu time spent up to now is 125.0 secs Computing kpt #: 23 total cpu time spent up to now is 130.2 secs Computing kpt #: 24 total cpu time spent up to now is 134.7 secs Computing kpt #: 25 total cpu time spent up to now is 139.2 secs Computing kpt #: 26 total cpu time spent up to now is 143.9 secs Computing kpt #: 27 total cpu time spent up to now is 148.3 secs Computing kpt #: 28 total cpu time spent up to now is 152.8 secs Computing kpt #: 29 total cpu time spent up to now is 157.3 secs Computing kpt #: 30 total cpu time spent up to now is 161.8 secs Computing kpt #: 31 total cpu time spent up to now is 166.2 secs Computing kpt #: 32 total cpu time spent up to now is 170.6 secs Computing kpt #: 33 total cpu time spent up to now is 175.5 secs Computing kpt #: 34 total cpu time spent up to now is 180.2 secs Computing kpt #: 35 total cpu time spent up to now is 184.7 secs Computing kpt #: 36 total cpu time spent up to now is 189.2 secs Computing kpt #: 37 total cpu time spent up to now is 193.6 secs Computing kpt #: 38 total cpu time spent up to now is 198.7 secs Computing kpt #: 39 total cpu time spent up to now is 203.2 secs Computing kpt #: 40 total cpu time spent up to now is 207.6 secs Computing kpt #: 41 total cpu time spent up to now is 212.0 secs Computing kpt #: 42 total cpu time spent up to now is 216.4 secs Computing kpt #: 43 total cpu time spent up to now is 220.8 secs Computing kpt #: 44 total cpu time spent up to now is 225.2 secs Computing kpt #: 45 total cpu time spent up to now is 230.2 secs Computing kpt #: 46 total cpu time spent up to now is 234.9 secs Computing kpt #: 47 total cpu time spent up to now is 239.5 secs Computing kpt #: 48 total cpu time spent up to now is 243.6 secs Computing kpt #: 49 total cpu time spent up to now is 248.2 secs Computing kpt #: 50 total cpu time spent up to now is 252.8 secs Computing kpt #: 51 total cpu time spent up to now is 257.3 secs Computing kpt #: 52 total cpu time spent up to now is 261.8 secs Computing kpt #: 53 total cpu time spent up to now is 266.4 secs Computing kpt #: 54 total cpu time spent up to now is 271.0 secs Computing kpt #: 55 total cpu time spent up to now is 276.5 secs Computing kpt #: 56 total cpu time spent up to now is 281.5 secs Computing kpt #: 57 total cpu time spent up to now is 286.4 secs Computing kpt #: 58 total cpu time spent up to now is 290.7 secs Computing kpt #: 59 total cpu time spent up to now is 294.8 secs Computing kpt #: 60 total cpu time spent up to now is 298.6 secs Computing kpt #: 61 total cpu time spent up to now is 302.4 secs Computing kpt #: 62 total cpu time spent up to now is 306.2 secs Computing kpt #: 63 total cpu time spent up to now is 309.8 secs Computing kpt #: 64 total cpu time spent up to now is 313.5 secs Computing kpt #: 65 total cpu time spent up to now is 317.2 secs Computing kpt #: 66 total cpu time spent up to now is 320.9 secs Computing kpt #: 67 total cpu time spent up to now is 324.5 secs Computing kpt #: 68 total cpu time spent up to now is 328.7 secs Computing kpt #: 69 total cpu time spent up to now is 332.4 secs Computing kpt #: 70 total cpu time spent up to now is 336.3 secs Computing kpt #: 71 total cpu time spent up to now is 340.6 secs Computing kpt #: 72 total cpu time spent up to now is 344.8 secs Computing kpt #: 73 total cpu time spent up to now is 348.7 secs Computing kpt #: 74 total cpu time spent up to now is 352.9 secs Computing kpt #: 75 total cpu time spent up to now is 357.2 secs Computing kpt #: 76 total cpu time spent up to now is 362.5 secs Computing kpt #: 77 total cpu time spent up to now is 367.8 secs Computing kpt #: 78 total cpu time spent up to now is 372.5 secs Computing kpt #: 79 total cpu time spent up to now is 376.8 secs Computing kpt #: 80 total cpu time spent up to now is 381.0 secs Computing kpt #: 81 total cpu time spent up to now is 384.8 secs Computing kpt #: 82 total cpu time spent up to now is 388.7 secs Computing kpt #: 83 total cpu time spent up to now is 392.6 secs Computing kpt #: 84 total cpu time spent up to now is 396.6 secs Computing kpt #: 85 total cpu time spent up to now is 400.6 secs Computing kpt #: 86 total cpu time spent up to now is 405.1 secs Computing kpt #: 87 total cpu time spent up to now is 409.6 secs Computing kpt #: 88 total cpu time spent up to now is 416.4 secs Computing kpt #: 89 total cpu time spent up to now is 421.6 secs Computing kpt #: 90 total cpu time spent up to now is 426.1 secs Computing kpt #: 91 total cpu time spent up to now is 430.2 secs Computing kpt #: 92 total cpu time spent up to now is 434.2 secs Computing kpt #: 93 total cpu time spent up to now is 438.1 secs Computing kpt #: 94 total cpu time spent up to now is 441.9 secs Computing kpt #: 95 total cpu time spent up to now is 445.5 secs Computing kpt #: 96 total cpu time spent up to now is 449.1 secs Computing kpt #: 97 total cpu time spent up to now is 452.7 secs Computing kpt #: 98 total cpu time spent up to now is 456.4 secs Computing kpt #: 99 total cpu time spent up to now is 460.2 secs Computing kpt #: 100 total cpu time spent up to now is 464.1 secs Computing kpt #: 101 total cpu time spent up to now is 468.3 secs Computing kpt #: 102 total cpu time spent up to now is 471.9 secs Computing kpt #: 103 total cpu time spent up to now is 475.6 secs Computing kpt #: 104 total cpu time spent up to now is 479.6 secs Computing kpt #: 105 total cpu time spent up to now is 483.4 secs Computing kpt #: 106 total cpu time spent up to now is 486.8 secs Computing kpt #: 107 total cpu time spent up to now is 490.2 secs Computing kpt #: 108 total cpu time spent up to now is 493.7 secs Computing kpt #: 109 total cpu time spent up to now is 496.5 secs Computing kpt #: 110 total cpu time spent up to now is 499.7 secs Computing kpt #: 111 total cpu time spent up to now is 502.9 secs Computing kpt #: 112 total cpu time spent up to now is 506.4 secs Computing kpt #: 113 total cpu time spent up to now is 510.0 secs Computing kpt #: 114 total cpu time spent up to now is 513.5 secs Computing kpt #: 115 total cpu time spent up to now is 517.4 secs Computing kpt #: 116 total cpu time spent up to now is 521.6 secs Computing kpt #: 117 total cpu time spent up to now is 525.6 secs Computing kpt #: 118 total cpu time spent up to now is 530.0 secs Computing kpt #: 119 total cpu time spent up to now is 534.1 secs Computing kpt #: 120 total cpu time spent up to now is 538.1 secs Computing kpt #: 121 total cpu time spent up to now is 542.2 secs Computing kpt #: 122 total cpu time spent up to now is 546.1 secs Computing kpt #: 123 total cpu time spent up to now is 549.9 secs Computing kpt #: 124 total cpu time spent up to now is 553.7 secs Computing kpt #: 125 total cpu time spent up to now is 557.2 secs Computing kpt #: 126 total cpu time spent up to now is 560.8 secs Computing kpt #: 127 total cpu time spent up to now is 564.2 secs Computing kpt #: 128 total cpu time spent up to now is 567.6 secs Computing kpt #: 129 total cpu time spent up to now is 571.3 secs Computing kpt #: 130 total cpu time spent up to now is 574.7 secs Computing kpt #: 131 total cpu time spent up to now is 578.4 secs Computing kpt #: 132 total cpu time spent up to now is 581.9 secs Computing kpt #: 133 total cpu time spent up to now is 585.4 secs Computing kpt #: 134 total cpu time spent up to now is 588.9 secs Computing kpt #: 135 total cpu time spent up to now is 592.6 secs Computing kpt #: 136 total cpu time spent up to now is 596.2 secs Computing kpt #: 137 total cpu time spent up to now is 600.4 secs Computing kpt #: 138 total cpu time spent up to now is 604.3 secs Computing kpt #: 139 total cpu time spent up to now is 608.0 secs Computing kpt #: 140 total cpu time spent up to now is 611.7 secs Computing kpt #: 141 total cpu time spent up to now is 618.0 secs Computing kpt #: 142 total cpu time spent up to now is 623.5 secs Computing kpt #: 143 total cpu time spent up to now is 628.9 secs Computing kpt #: 144 total cpu time spent up to now is 633.6 secs Computing kpt #: 145 total cpu time spent up to now is 639.1 secs Computing kpt #: 146 total cpu time spent up to now is 644.4 secs Computing kpt #: 147 total cpu time spent up to now is 650.2 secs Computing kpt #: 148 total cpu time spent up to now is 655.9 secs Computing kpt #: 149 total cpu time spent up to now is 661.4 secs Computing kpt #: 150 total cpu time spent up to now is 667.1 secs Computing kpt #: 151 total cpu time spent up to now is 673.6 secs Computing kpt #: 152 total cpu time spent up to now is 678.3 secs Computing kpt #: 153 total cpu time spent up to now is 683.1 secs Computing kpt #: 154 total cpu time spent up to now is 687.7 secs Computing kpt #: 155 total cpu time spent up to now is 692.0 secs Computing kpt #: 156 total cpu time spent up to now is 696.3 secs Computing kpt #: 157 total cpu time spent up to now is 700.3 secs Computing kpt #: 158 total cpu time spent up to now is 704.3 secs Computing kpt #: 159 total cpu time spent up to now is 708.2 secs Computing kpt #: 160 total cpu time spent up to now is 713.4 secs Computing kpt #: 161 total cpu time spent up to now is 717.7 secs Computing kpt #: 162 total cpu time spent up to now is 722.0 secs Computing kpt #: 163 total cpu time spent up to now is 726.3 secs Computing kpt #: 164 total cpu time spent up to now is 730.3 secs Computing kpt #: 165 total cpu time spent up to now is 735.6 secs Computing kpt #: 166 total cpu time spent up to now is 742.0 secs Computing kpt #: 167 total cpu time spent up to now is 747.6 secs Computing kpt #: 168 total cpu time spent up to now is 753.1 secs Computing kpt #: 169 total cpu time spent up to now is 758.2 secs Computing kpt #: 170 total cpu time spent up to now is 762.9 secs Computing kpt #: 171 total cpu time spent up to now is 767.9 secs Computing kpt #: 172 total cpu time spent up to now is 773.5 secs Computing kpt #: 173 total cpu time spent up to now is 778.6 secs Computing kpt #: 174 total cpu time spent up to now is 783.3 secs Computing kpt #: 175 total cpu time spent up to now is 788.1 secs Computing kpt #: 176 total cpu time spent up to now is 793.1 secs Computing kpt #: 177 total cpu time spent up to now is 797.7 secs Computing kpt #: 178 total cpu time spent up to now is 802.1 secs Computing kpt #: 179 total cpu time spent up to now is 806.7 secs Computing kpt #: 180 total cpu time spent up to now is 811.2 secs Computing kpt #: 181 total cpu time spent up to now is 815.8 secs Computing kpt #: 182 total cpu time spent up to now is 820.4 secs Computing kpt #: 183 total cpu time spent up to now is 824.6 secs Computing kpt #: 184 total cpu time spent up to now is 828.9 secs Computing kpt #: 185 total cpu time spent up to now is 833.4 secs Computing kpt #: 186 total cpu time spent up to now is 837.9 secs Computing kpt #: 187 total cpu time spent up to now is 842.5 secs Computing kpt #: 188 total cpu time spent up to now is 848.2 secs Computing kpt #: 189 total cpu time spent up to now is 854.6 secs Computing kpt #: 190 total cpu time spent up to now is 860.2 secs Computing kpt #: 191 total cpu time spent up to now is 865.7 secs Computing kpt #: 192 total cpu time spent up to now is 870.5 secs Computing kpt #: 193 total cpu time spent up to now is 875.2 secs Computing kpt #: 194 total cpu time spent up to now is 880.4 secs Computing kpt #: 195 total cpu time spent up to now is 885.3 secs Computing kpt #: 196 total cpu time spent up to now is 889.9 secs Computing kpt #: 197 total cpu time spent up to now is 894.3 secs Computing kpt #: 198 total cpu time spent up to now is 898.7 secs Computing kpt #: 199 total cpu time spent up to now is 903.1 secs Computing kpt #: 200 total cpu time spent up to now is 907.4 secs Computing kpt #: 201 total cpu time spent up to now is 911.7 secs Computing kpt #: 202 total cpu time spent up to now is 916.0 secs Computing kpt #: 203 total cpu time spent up to now is 920.8 secs Computing kpt #: 204 total cpu time spent up to now is 925.4 secs Computing kpt #: 205 total cpu time spent up to now is 930.0 secs Computing kpt #: 206 total cpu time spent up to now is 934.9 secs Computing kpt #: 207 total cpu time spent up to now is 939.3 secs Computing kpt #: 208 total cpu time spent up to now is 945.9 secs Computing kpt #: 209 total cpu time spent up to now is 952.1 secs Computing kpt #: 210 total cpu time spent up to now is 957.1 secs Computing kpt #: 211 total cpu time spent up to now is 961.5 secs Computing kpt #: 212 total cpu time spent up to now is 966.3 secs Computing kpt #: 213 total cpu time spent up to now is 971.0 secs Computing kpt #: 214 total cpu time spent up to now is 975.9 secs Computing kpt #: 215 total cpu time spent up to now is 980.5 secs Computing kpt #: 216 total cpu time spent up to now is 985.0 secs Computing kpt #: 217 total cpu time spent up to now is 989.5 secs Computing kpt #: 218 total cpu time spent up to now is 993.8 secs Computing kpt #: 219 total cpu time spent up to now is 998.5 secs Computing kpt #: 220 total cpu time spent up to now is 1003.3 secs Computing kpt #: 221 total cpu time spent up to now is 1007.7 secs Computing kpt #: 222 total cpu time spent up to now is 1012.4 secs Computing kpt #: 223 total cpu time spent up to now is 1019.2 secs Computing kpt #: 224 total cpu time spent up to now is 1023.7 secs Computing kpt #: 225 total cpu time spent up to now is 1028.6 secs Computing kpt #: 226 total cpu time spent up to now is 1033.1 secs Computing kpt #: 227 total cpu time spent up to now is 1039.6 secs Computing kpt #: 228 total cpu time spent up to now is 1043.7 secs Computing kpt #: 229 total cpu time spent up to now is 1048.3 secs Computing kpt #: 230 total cpu time spent up to now is 1053.0 secs Computing kpt #: 231 total cpu time spent up to now is 1057.8 secs Computing kpt #: 232 total cpu time spent up to now is 1062.9 secs Computing kpt #: 233 total cpu time spent up to now is 1067.6 secs Computing kpt #: 234 total cpu time spent up to now is 1072.2 secs Computing kpt #: 235 total cpu time spent up to now is 1076.7 secs Computing kpt #: 236 total cpu time spent up to now is 1081.6 secs Computing kpt #: 237 total cpu time spent up to now is 1086.4 secs Computing kpt #: 238 total cpu time spent up to now is 1091.1 secs Computing kpt #: 239 total cpu time spent up to now is 1095.8 secs Computing kpt #: 240 total cpu time spent up to now is 1100.5 secs Computing kpt #: 241 total cpu time spent up to now is 1106.0 secs Computing kpt #: 242 total cpu time spent up to now is 1111.1 secs Computing kpt #: 243 total cpu time spent up to now is 1117.6 secs Computing kpt #: 244 total cpu time spent up to now is 1123.1 secs Computing kpt #: 245 total cpu time spent up to now is 1128.6 secs Computing kpt #: 246 total cpu time spent up to now is 1134.0 secs Computing kpt #: 247 total cpu time spent up to now is 1139.5 secs Computing kpt #: 248 total cpu time spent up to now is 1144.9 secs Computing kpt #: 249 total cpu time spent up to now is 1150.3 secs Computing kpt #: 250 total cpu time spent up to now is 1155.0 secs Computing kpt #: 251 total cpu time spent up to now is 1160.2 secs Computing kpt #: 252 total cpu time spent up to now is 1165.5 secs Computing kpt #: 253 total cpu time spent up to now is 1170.9 secs Computing kpt #: 254 total cpu time spent up to now is 1176.4 secs Computing kpt #: 255 total cpu time spent up to now is 1183.4 secs Computing kpt #: 256 total cpu time spent up to now is 1187.1 secs Computing kpt #: 257 total cpu time spent up to now is 1191.5 secs Computing kpt #: 258 total cpu time spent up to now is 1196.3 secs Computing kpt #: 259 total cpu time spent up to now is 1200.7 secs Computing kpt #: 260 total cpu time spent up to now is 1205.2 secs Computing kpt #: 261 total cpu time spent up to now is 1209.6 secs Computing kpt #: 262 total cpu time spent up to now is 1214.2 secs Computing kpt #: 263 total cpu time spent up to now is 1218.8 secs Computing kpt #: 264 total cpu time spent up to now is 1223.6 secs Computing kpt #: 265 total cpu time spent up to now is 1228.3 secs Computing kpt #: 266 total cpu time spent up to now is 1233.2 secs Computing kpt #: 267 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1240.4 secs Computing kpt #: 268 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1247.4 secs Computing kpt #: 269 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1254.8 secs Computing kpt #: 270 total cpu time spent up to now is 1261.5 secs Computing kpt #: 271 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1268.6 secs Computing kpt #: 272 total cpu time spent up to now is 1273.5 secs ethr = 2.08E-11, avg # of iterations = 46.1 total cpu time spent up to now is 1273.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 9461 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8736 -36.8736 -36.8729 -36.8729 -36.5946 -36.5946 -36.5936 -36.5936 -36.5755 -36.5755 -36.5750 -36.5750 -7.3599 -7.3599 -4.9270 -4.9270 -4.9246 -4.9246 -4.8683 -4.8683 -3.0999 -3.0999 -0.0912 -0.0912 1.2122 1.2122 1.2367 1.2367 1.4515 1.4515 1.9781 1.9781 2.1428 2.1428 3.3926 3.3926 3.4695 3.4695 4.8327 4.8327 5.0838 5.0838 5.2057 5.2057 6.4458 6.4458 6.9928 6.9928 7.5431 7.5431 8.5815 8.5815 8.6079 8.6079 k = 0.0000 0.0000 0.0213 ( 9455 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8736 -36.8736 -36.8729 -36.8729 -36.5946 -36.5945 -36.5936 -36.5936 -36.5755 -36.5755 -36.5750 -36.5750 -7.3591 -7.3590 -4.9290 -4.9287 -4.9259 -4.9259 -4.8683 -4.8680 -3.0977 -3.0975 -0.0949 -0.0905 1.2045 1.2152 1.2302 1.2426 1.4495 1.4649 1.9776 1.9788 2.1412 2.1489 3.3892 3.3948 3.4680 3.4698 4.8244 4.8303 5.0770 5.0772 5.1989 5.2047 6.4504 6.4509 7.0036 7.0037 7.5463 7.5508 8.5780 8.5835 8.6059 8.6080 k = 0.0000 0.0000 0.0425 ( 9459 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8736 -36.8736 -36.8729 -36.8729 -36.5945 -36.5945 -36.5936 -36.5936 -36.5755 -36.5755 -36.5750 -36.5750 -7.3565 -7.3564 -4.9359 -4.9353 -4.9287 -4.9285 -4.8681 -4.8675 -3.0910 -3.0905 -0.1015 -0.0929 1.1941 1.2141 1.2235 1.2462 1.4598 1.4875 1.9774 1.9796 2.1443 2.1595 3.3840 3.3961 3.4665 3.4689 4.8039 4.8167 5.0570 5.0597 5.1857 5.1961 6.4644 6.4654 7.0350 7.0356 7.5606 7.5695 8.5731 8.5840 8.6029 8.6061 k = 0.0000 0.0000 0.0638 ( 9459 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8736 -36.8736 -36.8729 -36.8729 -36.5945 -36.5945 -36.5936 -36.5936 -36.5755 -36.5755 -36.5750 -36.5750 -7.3521 -7.3520 -4.9474 -4.9465 -4.9326 -4.9324 -4.8679 -4.8672 -3.0798 -3.0791 -0.1110 -0.0985 1.1840 1.2102 1.2162 1.2475 1.4814 1.5170 1.9771 1.9798 2.1523 2.1743 3.3757 3.3957 3.4667 3.4683 4.7683 4.7895 5.0271 5.0360 5.1680 5.1810 6.4870 6.4887 7.0838 7.0854 7.5859 7.5994 8.5678 8.5833 8.5995 8.6028 k = 0.0000 0.0000 0.0850 ( 9463 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8736 -36.8736 -36.8729 -36.8729 -36.5945 -36.5945 -36.5936 -36.5936 -36.5756 -36.5756 -36.5750 -36.5750 -7.3460 -7.3459 -4.9629 -4.9618 -4.9379 -4.9376 -4.8680 -4.8672 -3.0643 -3.0635 -0.1234 -0.1074 1.1759 1.2042 1.2085 1.2483 1.5118 1.5517 1.9761 1.9788 2.1651 2.1931 3.3640 3.3926 3.4699 3.4699 4.7155 4.7456 4.9932 5.0109 5.1468 5.1606 6.5170 6.5195 7.1455 7.1490 7.6225 7.6405 8.5635 8.5818 8.5961 8.5991 k = 0.0000 0.0000 0.1063 ( 9465 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8736 -36.8736 -36.8729 -36.8729 -36.5945 -36.5945 -36.5936 -36.5936 -36.5756 -36.5756 -36.5750 -36.5750 -7.3382 -7.3380 -4.9819 -4.9807 -4.9446 -4.9442 -4.8685 -4.8676 -3.0449 -3.0438 -0.1387 -0.1196 1.1701 1.1966 1.2020 1.2511 1.5486 1.5904 1.9733 1.9755 2.1829 2.2158 3.3500 3.3868 3.4748 3.4764 4.6458 4.6836 4.9600 4.9875 5.1231 5.1357 6.5529 6.5563 7.2157 7.2219 7.6706 7.6930 8.5613 8.5805 8.5926 8.5956 k = 0.0000 0.0000 0.1275 ( 9461 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8736 -36.8736 -36.8729 -36.8729 -36.5945 -36.5945 -36.5936 -36.5936 -36.5755 -36.5755 -36.5750 -36.5750 -7.3287 -7.3284 -5.0041 -5.0028 -4.9525 -4.9521 -4.8696 -4.8687 -3.0217 -3.0203 -0.1570 -0.1354 1.1645 1.1876 1.2001 1.2576 1.5898 1.6322 1.9679 1.9692 2.2056 2.2423 3.3356 3.3796 3.4830 3.4855 4.5624 4.6059 4.9283 4.9654 5.0978 5.1074 6.5933 6.5978 7.2896 7.2995 7.7301 7.7569 8.5623 8.5803 8.5893 8.5929 k = 0.0000 0.0000 0.1488 ( 9443 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8736 -36.8736 -36.8729 -36.8728 -36.5945 -36.5945 -36.5936 -36.5936 -36.5755 -36.5755 -36.5750 -36.5750 -7.3175 -7.3171 -5.0293 -5.0279 -4.9617 -4.9613 -4.8713 -4.8703 -2.9950 -2.9935 -0.1781 -0.1546 1.1566 1.1777 1.2060 1.2690 1.6338 1.6763 1.9586 1.9589 2.2333 2.2727 3.3229 3.3729 3.4933 3.4962 4.4699 4.5176 4.8960 4.9428 5.0721 5.0772 6.6366 6.6423 7.3632 7.3776 7.8009 7.8319 8.5659 8.5807 8.5876 8.5925 k = 0.0000 0.0000 0.1700 ( 9447 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8736 -36.8736 -36.8729 -36.8728 -36.5945 -36.5945 -36.5936 -36.5936 -36.5755 -36.5755 -36.5750 -36.5750 -7.3045 -7.3042 -5.0571 -5.0556 -4.9720 -4.9715 -4.8735 -4.8725 -2.9653 -2.9635 -0.2019 -0.1772 1.1468 1.1674 1.2203 1.2857 1.6793 1.7221 1.9445 1.9445 2.2658 2.3071 3.3135 3.3686 3.5039 3.5069 4.3728 4.4237 4.8605 4.9168 5.0471 5.0474 6.6819 6.6885 7.4331 7.4526 7.8823 7.9173 8.5677 8.5788 8.5926 8.5984 k = 0.0000 0.0000 0.1913 ( 9439 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8736 -36.8736 -36.8729 -36.8728 -36.5945 -36.5945 -36.5936 -36.5936 -36.5755 -36.5755 -36.5750 -36.5750 -7.2899 -7.2895 -5.0872 -5.0857 -4.9833 -4.9828 -4.8764 -4.8753 -2.9328 -2.9306 -0.2284 -0.2030 1.1364 1.1573 1.2417 1.3078 1.7242 1.7689 1.9251 1.9267 2.3032 2.3455 3.3091 3.3682 3.5127 3.5156 4.2757 4.3293 4.8199 4.8844 5.0195 5.0245 6.7280 6.7356 7.4964 7.5215 7.9733 8.0121 8.5641 8.5745 8.6080 8.6111 k = 0.0000 0.0000 0.2125 ( 9451 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8736 -36.8736 -36.8729 -36.8729 -36.5945 -36.5945 -36.5936 -36.5936 -36.5755 -36.5755 -36.5750 -36.5750 -7.2737 -7.2733 -5.1194 -5.1178 -4.9955 -4.9949 -4.8798 -4.8787 -2.8977 -2.8953 -0.2574 -0.2316 1.1264 1.1480 1.2696 1.3351 1.7639 1.8151 1.9011 1.9096 2.3453 2.3881 3.3105 3.3726 3.5163 3.5195 4.1837 4.2394 4.7734 4.8440 4.9960 5.0039 6.7745 6.7828 7.5513 7.5819 8.0725 8.1148 8.5576 8.5689 8.6299 8.6310 k = 0.0000 0.0000 0.2338 ( 9453 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8736 -36.8736 -36.8729 -36.8729 -36.5945 -36.5945 -36.5936 -36.5936 -36.5755 -36.5755 -36.5750 -36.5750 -7.2559 -7.2554 -5.1533 -5.1517 -5.0085 -5.0078 -4.8839 -4.8827 -2.8605 -2.8578 -0.2886 -0.2630 1.1175 1.1399 1.3030 1.3671 1.7853 1.8449 1.8883 1.9062 2.3920 2.4350 3.3180 3.3823 3.5101 3.5145 4.1031 4.1598 4.7211 4.7958 4.9765 4.9853 6.8209 6.8296 7.5968 7.6326 8.1778 8.2232 8.5496 8.5622 8.6542 8.6598 k = 0.0000 0.0000 0.2550 ( 9453 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8736 -36.8736 -36.8729 -36.8729 -36.5945 -36.5945 -36.5937 -36.5936 -36.5755 -36.5755 -36.5750 -36.5750 -7.2364 -7.2359 -5.1888 -5.1871 -5.0220 -5.0213 -4.8887 -4.8875 -2.8213 -2.8183 -0.3218 -0.2966 1.1101 1.1335 1.3412 1.4032 1.7738 1.8195 1.9256 1.9314 2.4431 2.4861 3.3316 3.3972 3.4883 3.4957 4.0408 4.0967 4.6638 4.7410 4.9598 4.9684 6.8670 6.8759 7.6329 7.6730 8.2867 8.3348 8.5404 8.5548 8.6834 8.6929 k = 0.0000 0.0000 0.2763 ( 9437 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8736 -36.8735 -36.8729 -36.8729 -36.5945 -36.5944 -36.5937 -36.5936 -36.5755 -36.5755 -36.5750 -36.5750 -7.2154 -7.2148 -5.2256 -5.2238 -5.0361 -5.0354 -4.8941 -4.8929 -2.7805 -2.7771 -0.3568 -0.3322 1.1045 1.1290 1.3830 1.4426 1.7401 1.7780 1.9747 1.9751 2.4986 2.5414 3.3507 3.4166 3.4471 3.4594 4.0021 4.0548 4.6023 4.6812 4.9448 4.9525 6.9127 6.9216 7.6602 7.7035 8.3956 8.4455 8.5307 8.5474 8.7163 8.7289 k = 0.0000 0.0000 0.2976 ( 9441 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8736 -36.8735 -36.8729 -36.8729 -36.5945 -36.5944 -36.5937 -36.5936 -36.5755 -36.5755 -36.5750 -36.5750 -7.1929 -7.1923 -5.2634 -5.2616 -5.0505 -5.0498 -4.9003 -4.8990 -2.7381 -2.7344 -0.3932 -0.3696 1.1011 1.1267 1.4273 1.4838 1.6966 1.7313 2.0259 2.0261 2.5583 2.6009 3.3739 3.3845 3.4061 3.4424 3.9874 4.0355 4.5373 4.6176 4.9309 4.9373 6.9580 6.9666 7.6795 7.7250 8.4932 8.5262 8.5286 8.5658 8.7518 8.7664 k = 0.0000 0.0000 0.3188 ( 9437 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8736 -36.8735 -36.8729 -36.8729 -36.5945 -36.5944 -36.5937 -36.5936 -36.5755 -36.5755 -36.5750 -36.5750 -7.1689 -7.1682 -5.3021 -5.3002 -5.0652 -5.0644 -4.9072 -4.9059 -2.6944 -2.6904 -0.4310 -0.4083 1.1001 1.1269 1.4721 1.5251 1.6487 1.6818 2.0781 2.0806 2.6221 2.6645 3.3094 3.3358 3.4042 3.4700 3.9922 4.0355 4.4698 4.5511 4.9174 4.9226 7.0028 7.0110 7.6919 7.7385 8.5018 8.5222 8.6081 8.6607 8.7886 8.8043 k = 0.0000 0.0000 0.3401 ( 9437 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8736 -36.8735 -36.8730 -36.8729 -36.5945 -36.5944 -36.5937 -36.5936 -36.5755 -36.5755 -36.5750 -36.5750 -7.1434 -7.1427 -5.3414 -5.3396 -5.0799 -5.0791 -4.9149 -4.9136 -2.6496 -2.6452 -0.4698 -0.4481 1.1015 1.1298 1.5136 1.5573 1.6062 1.6331 2.1316 2.1375 2.6896 2.7319 3.2266 3.2598 3.4351 3.5007 4.0108 4.0499 4.4008 4.4827 4.9043 4.9080 7.0471 7.0545 7.6985 7.7452 8.4899 8.5116 8.6977 8.7504 8.8256 8.8414 k = 0.0000 0.0000 0.3613 ( 9427 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8736 -36.8735 -36.8730 -36.8729 -36.5944 -36.5944 -36.5937 -36.5936 -36.5755 -36.5755 -36.5750 -36.5750 -7.1166 -7.1158 -5.3814 -5.3795 -5.0945 -5.0937 -4.9233 -4.9220 -2.6038 -2.5991 -0.5094 -0.4889 1.1055 1.1356 1.5308 1.5345 1.6017 1.6181 2.1865 2.1967 2.7607 2.8032 3.1418 3.1806 3.4684 3.5334 4.0387 4.0741 4.3313 4.4133 4.8914 4.8936 7.0907 7.0971 7.7000 7.7463 8.4766 8.4996 8.7759 8.8271 8.8618 8.8770 k = 0.0000 0.0000 0.3826 ( 9439 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8736 -36.8735 -36.8730 -36.8729 -36.5944 -36.5944 -36.5937 -36.5937 -36.5755 -36.5755 -36.5750 -36.5750 -7.0883 -7.0875 -5.4217 -5.4198 -5.1090 -5.1082 -4.9326 -4.9312 -2.5571 -2.5521 -0.5498 -0.5303 1.1120 1.1443 1.4785 1.5025 1.6189 1.6507 2.2432 2.2581 2.8348 2.8779 3.0593 3.1027 3.5029 3.5672 4.0728 4.1038 4.2631 4.3438 4.8786 4.8792 7.1334 7.1386 7.6973 7.7424 8.4626 8.4869 8.8409 8.8891 8.8966 8.9101 k = 0.0000 0.0000 0.4038 ( 9435 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8736 -36.8735 -36.8730 -36.8729 -36.5944 -36.5943 -36.5937 -36.5937 -36.5755 -36.5755 -36.5750 -36.5750 -7.0588 -7.0579 -5.4624 -5.4605 -5.1232 -5.1223 -4.9426 -4.9413 -2.5096 -2.5043 -0.5908 -0.5724 1.1208 1.1560 1.4241 1.4533 1.6475 1.6790 2.3022 2.3221 2.9084 2.9559 2.9857 3.0293 3.5375 3.6012 4.1108 4.1302 4.2040 4.2753 4.8651 4.8661 7.1749 7.1786 7.6907 7.7344 8.4484 8.4736 8.8933 8.9271 8.9390 8.9399 k = 0.0000 0.0000 0.4251 ( 9435 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8735 -36.8735 -36.8730 -36.8729 -36.5944 -36.5943 -36.5938 -36.5937 -36.5755 -36.5754 -36.5750 -36.5750 -7.0280 -7.0271 -5.5034 -5.5014 -5.1369 -5.1360 -4.9534 -4.9520 -2.4615 -2.4558 -0.6322 -0.6148 1.1314 1.1708 1.3700 1.4034 1.6699 1.6988 2.3641 2.3887 2.9028 2.9625 3.0016 3.0375 3.5713 3.6347 4.1073 4.1492 4.1993 4.2109 4.8512 4.8540 7.2148 7.2168 7.6805 7.7225 8.4341 8.4597 8.9346 8.9551 8.9654 8.9759 k = 0.0000 0.0000 0.4463 ( 9435 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8735 -36.8734 -36.8730 -36.8729 -36.5944 -36.5943 -36.5938 -36.5937 -36.5754 -36.5754 -36.5750 -36.5750 -6.9961 -6.9951 -5.5444 -5.5424 -5.1501 -5.1492 -4.9649 -4.9636 -2.4126 -2.4067 -0.6739 -0.6576 1.1424 1.1883 1.3176 1.3570 1.6820 1.7078 2.4292 2.4579 2.8443 2.9045 3.0825 3.1214 3.6033 3.6669 4.0496 4.1372 4.2014 4.2349 4.8378 4.8424 7.2523 7.2525 7.6669 7.7071 8.4198 8.4452 8.9670 8.9776 8.9857 9.0034 k = 0.0000 0.0000 0.4676 ( 9439 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8735 -36.8734 -36.8730 -36.8730 -36.5944 -36.5943 -36.5938 -36.5937 -36.5754 -36.5754 -36.5751 -36.5751 -6.9630 -6.9619 -5.5856 -5.5836 -5.1627 -5.1617 -4.9772 -4.9758 -2.3633 -2.3571 -0.7160 -0.7006 1.1507 1.2068 1.2692 1.3183 1.6818 1.7046 2.4975 2.5291 2.7940 2.8556 3.1680 3.2079 3.6324 3.6972 3.9923 4.0794 4.2429 4.2765 4.8251 4.8315 7.2846 7.2874 7.6499 7.6881 8.4056 8.4300 8.9922 8.9925 8.9998 9.0226 k = 0.0000 0.0000 0.4888 ( 9429 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8735 -36.8734 -36.8731 -36.8730 -36.5944 -36.5943 -36.5938 -36.5937 -36.5754 -36.5754 -36.5751 -36.5751 -6.9288 -6.9276 -5.6268 -5.6248 -5.1744 -5.1735 -4.9901 -4.9888 -2.3134 -2.3069 -0.7583 -0.7438 1.1499 1.2045 1.2472 1.2942 1.6688 1.6888 2.5686 2.6008 2.7545 2.8153 3.2557 3.2965 3.6574 3.7248 3.9412 4.0251 4.2870 4.3196 4.8131 4.8216 7.3127 7.3183 7.6294 7.6657 8.3915 8.4141 8.9959 9.0050 9.0128 9.0316 k = 0.0000 0.0000 0.5101 ( 9409 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8735 -36.8734 -36.8731 -36.8730 -36.5944 -36.5943 -36.5938 -36.5937 -36.5754 -36.5754 -36.5750 -36.5750 -6.8935 -6.8924 -5.6681 -5.6660 -5.1854 -5.1844 -5.0036 -5.0023 -2.2630 -2.2563 -0.8009 -0.7873 1.1340 1.1645 1.2688 1.2912 1.6437 1.6610 2.6415 2.6643 2.7327 2.7823 3.3448 3.3868 3.6771 3.7494 3.8994 3.9778 4.3312 4.3631 4.8023 4.8128 7.3354 7.3444 7.6051 7.6395 8.3776 8.3973 8.9878 9.0013 9.0286 9.0343 k = 0.0000 0.0000 0.5313 ( 9401 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8735 -36.8734 -36.8731 -36.8730 -36.5943 -36.5942 -36.5938 -36.5937 -36.5754 -36.5754 -36.5750 -36.5750 -6.8574 -6.8562 -5.7094 -5.7073 -5.1953 -5.1944 -5.0176 -5.0163 -2.2122 -2.2053 -0.8437 -0.8309 1.1065 1.1223 1.2988 1.3064 1.6083 1.6230 2.6753 2.7131 2.7561 2.7694 3.4343 3.4781 3.6903 3.7709 3.8697 3.9395 4.3750 4.4063 4.7928 4.8054 7.3514 7.3640 7.5768 7.6095 8.3638 8.3798 8.9730 8.9873 9.0339 9.0411 k = 0.0000 0.0000 0.5526 ( 9399 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8735 -36.8734 -36.8731 -36.8730 -36.5943 -36.5942 -36.5938 -36.5937 -36.5754 -36.5754 -36.5751 -36.5751 -6.8203 -6.8191 -5.7507 -5.7486 -5.2043 -5.2033 -5.0320 -5.0307 -2.1610 -2.1540 -0.8868 -0.8747 1.0746 1.0828 1.3324 1.3325 1.5645 1.5771 2.6561 2.7218 2.7940 2.8383 3.5226 3.5700 3.6974 3.7896 3.8534 3.9124 4.4178 4.4486 4.7847 4.7993 7.3594 7.3758 7.5443 7.5753 8.3504 8.3618 8.9531 8.9645 9.0300 9.0460 k = 0.0000 0.0000 0.5739 ( 9409 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8733 -36.8731 -36.8730 -36.5943 -36.5942 -36.5939 -36.5938 -36.5754 -36.5754 -36.5751 -36.5751 -6.7825 -6.7812 -5.7920 -5.7899 -5.2121 -5.2111 -5.0468 -5.0455 -2.1095 -2.1023 -0.9301 -0.9187 1.0429 1.0467 1.3653 1.3690 1.5149 1.5260 2.6328 2.6937 2.8656 2.9089 3.6069 3.6612 3.7017 3.8075 3.8493 3.8982 4.4593 4.4897 4.7783 4.7948 7.3580 7.3782 7.5073 7.5368 8.3380 8.3444 8.9283 8.9346 9.0233 9.0406 k = 0.0000 0.0000 0.5951 ( 9405 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8733 -36.8731 -36.8730 -36.5943 -36.5942 -36.5939 -36.5938 -36.5753 -36.5753 -36.5751 -36.5751 -6.7439 -6.7425 -5.8333 -5.8312 -5.2188 -5.2178 -5.0618 -5.0605 -2.0577 -2.0504 -0.9738 -0.9630 1.0133 1.0144 1.4028 1.4053 1.4617 1.4747 2.6060 2.6605 2.9356 2.9771 3.6799 3.7045 3.7526 3.8305 3.8549 3.8984 4.4991 4.5291 4.7736 4.7917 7.3462 7.3699 7.4658 7.4940 8.3272 8.3286 8.8983 8.8989 9.0154 9.0348 k = 0.0000 0.0000 0.6164 ( 9419 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8733 -36.8731 -36.8730 -36.5943 -36.5942 -36.5939 -36.5938 -36.5754 -36.5753 -36.5751 -36.5751 -6.7047 -6.7032 -5.8746 -5.8725 -5.2242 -5.2232 -5.0769 -5.0756 -2.0057 -1.9983 -1.0179 -1.0076 0.9861 0.9869 1.4014 1.4047 1.4463 1.4649 2.5744 2.6218 3.0023 3.0415 3.7098 3.7270 3.8380 3.8718 3.8721 3.9136 4.5369 4.5666 4.7705 4.7898 7.3237 7.3500 7.4200 7.4470 8.3162 8.3192 8.8589 8.8634 9.0075 9.0291 k = 0.0000 0.0000 0.6376 ( 9431 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8733 -36.8731 -36.8730 -36.5943 -36.5942 -36.5939 -36.5938 -36.5753 -36.5753 -36.5751 -36.5751 -6.6648 -6.6633 -5.9159 -5.9138 -5.2283 -5.2273 -5.0919 -5.0907 -1.9535 -1.9460 -1.0623 -1.0525 0.9622 0.9642 1.3491 1.3494 1.4912 1.5061 2.5372 2.5769 3.0653 3.1018 3.7133 3.7434 3.8879 3.9314 3.9341 3.9450 4.5724 4.6019 4.7690 4.7890 7.2910 7.3191 7.3700 7.3961 8.3086 8.3148 8.8161 8.8246 9.0003 9.0240 k = 0.0000 0.0000 0.6589 ( 9429 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8733 -36.8732 -36.8730 -36.5943 -36.5941 -36.5939 -36.5938 -36.5753 -36.5753 -36.5751 -36.5751 -6.6245 -6.6229 -5.9573 -5.9552 -5.2312 -5.2301 -5.1068 -5.1056 -1.9012 -1.8937 -1.1073 -1.0979 0.9428 0.9458 1.2937 1.2945 1.5398 1.5543 2.4941 2.5263 3.1245 3.1580 3.7116 3.7417 3.9248 3.9818 4.0108 4.0116 4.6054 4.6347 4.7689 4.7888 7.2498 7.2787 7.3166 7.3422 8.3068 8.3147 8.7720 8.7834 8.9944 9.0198 k = 0.0000 0.0000 0.6801 ( 9437 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8733 -36.8732 -36.8731 -36.5943 -36.5941 -36.5940 -36.5939 -36.5753 -36.5753 -36.5751 -36.5751 -6.5837 -6.5821 -5.9988 -5.9967 -5.2326 -5.2316 -5.1214 -5.1202 -1.8489 -1.8413 -1.1527 -1.1437 0.9281 0.9317 1.2396 1.2412 1.5914 1.6056 2.4456 2.4707 3.1803 3.2107 3.7033 3.7301 3.9708 4.0317 4.0848 4.0854 4.6356 4.6648 4.7700 4.7889 7.2028 7.2317 7.2610 7.2862 8.3110 8.3194 8.7277 8.7409 8.9898 9.0165 k = 0.0000 0.0000 0.7014 ( 9437 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8733 -36.8732 -36.8731 -36.5942 -36.5941 -36.5940 -36.5939 -36.5753 -36.5753 -36.5752 -36.5752 -6.5425 -6.5409 -6.0404 -6.0383 -5.2327 -5.2317 -5.1356 -5.1344 -1.7966 -1.7890 -1.1988 -1.1901 0.9181 0.9223 1.1882 1.1906 1.6458 1.6596 2.3925 2.4110 3.2331 3.2607 3.6885 3.7121 4.0238 4.0868 4.1523 4.1537 4.6630 4.6920 4.7720 4.7887 7.1532 7.1814 7.2047 7.2297 8.3211 8.3287 8.6843 8.6982 8.9867 9.0142 k = 0.0000 0.0000 0.7226 ( 9435 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8733 -36.8732 -36.8731 -36.5942 -36.5941 -36.5940 -36.5939 -36.5753 -36.5753 -36.5752 -36.5752 -6.5011 -6.4994 -6.0820 -6.0799 -5.2314 -5.2304 -5.1492 -5.1480 -1.7444 -1.7368 -1.2454 -1.2370 0.9131 0.9176 1.1401 1.1432 1.7026 1.7159 2.3354 2.3482 3.2835 3.3084 3.6680 3.6890 4.0801 4.1438 4.2094 4.2151 4.6874 4.7160 4.7747 4.7880 7.1043 7.1318 7.1498 7.1749 8.3365 8.3425 8.6423 8.6562 8.9852 9.0132 k = 0.0000 0.0000 0.7439 ( 9439 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8732 -36.8732 -36.8731 -36.5942 -36.5941 -36.5940 -36.5939 -36.5753 -36.5753 -36.5752 -36.5752 -6.4594 -6.4576 -6.1237 -6.1217 -5.2288 -5.2277 -5.1621 -5.1609 -1.6924 -1.6848 -1.2927 -1.2845 0.9131 0.9179 1.0958 1.0996 1.7618 1.7743 2.2755 2.2833 3.3317 3.3544 3.6427 3.6619 4.1360 4.1992 4.2548 4.2667 4.7088 4.7367 4.7778 4.7863 7.0598 7.0865 7.0988 7.1239 8.3563 8.3601 8.6021 8.6154 8.9851 9.0133 k = 0.0000 0.0000 0.7651 ( 9431 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8732 -36.8732 -36.8731 -36.5942 -36.5941 -36.5940 -36.5939 -36.5753 -36.5753 -36.5752 -36.5752 -6.4175 -6.4157 -6.1655 -6.1635 -5.2247 -5.2236 -5.1742 -5.1731 -1.6408 -1.6331 -1.3406 -1.3326 0.9182 0.9232 1.0559 1.0602 1.8230 1.8344 2.2136 2.2170 3.3781 3.3988 3.6133 3.6313 4.1883 4.2495 4.2868 4.3065 4.7270 4.7536 4.7808 4.7833 7.0229 7.0488 7.0541 7.0792 8.3799 8.3813 8.5639 8.5760 8.9864 9.0145 k = 0.0000 0.0000 0.7864 ( 9419 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8731 -36.5941 -36.5941 -36.5940 -36.5939 -36.5752 -36.5752 -36.5752 -36.5752 -6.3756 -6.3737 -6.2075 -6.2055 -5.2194 -5.2183 -5.1855 -5.1843 -1.5895 -1.5818 -1.3892 -1.3813 0.9284 0.9336 1.0205 1.0252 1.8861 1.8960 2.1500 2.1503 3.4227 3.4419 3.5804 3.5977 4.2339 4.2917 4.3042 4.3328 4.7423 4.7668 4.7789 4.7830 6.9962 7.0182 7.0217 7.0433 8.4055 8.4068 8.5278 8.5382 8.9891 9.0097 k = 0.0000 0.0000 0.8076 ( 9418 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8731 -36.5941 -36.5941 -36.5940 -36.5940 -36.5752 -36.5752 -36.5752 -36.5752 -6.3335 -6.3316 -6.2494 -6.2475 -5.2127 -5.2116 -5.1957 -5.1945 -1.5386 -1.5309 -1.4384 -1.4306 0.9438 0.9490 0.9899 0.9949 1.9506 1.9588 2.0830 2.0864 3.4654 3.4835 3.5445 3.5616 4.2702 4.3069 4.3229 4.3444 4.7548 4.7728 4.7760 4.7835 6.9819 6.9933 7.0071 7.0183 8.4325 8.4363 8.4938 8.5023 8.9929 9.0033 k = 0.0000 0.0000 0.8289 ( 9430 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5752 -36.5752 -36.5752 -36.5752 -6.2915 -6.2915 -6.2895 -6.2895 -5.2048 -5.2048 -5.2036 -5.2036 -1.4882 -1.4882 -1.4805 -1.4805 0.9643 0.9643 0.9694 0.9694 2.0164 2.0164 2.0224 2.0224 3.5061 3.5061 3.5235 3.5235 4.2951 4.2951 4.3410 4.3410 4.7649 4.7649 4.7814 4.7814 6.9808 6.9808 7.0059 7.0059 8.4620 8.4620 8.4683 8.4683 8.9977 8.9977 k = 0.0000 0.0000 0.8289 ( 9430 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5752 -36.5752 -36.5752 -36.5752 -6.2915 -6.2915 -6.2895 -6.2895 -5.2048 -5.2048 -5.2036 -5.2036 -1.4882 -1.4882 -1.4805 -1.4805 0.9643 0.9643 0.9694 0.9694 2.0164 2.0164 2.0224 2.0224 3.5061 3.5061 3.5235 3.5235 4.2951 4.2951 4.3410 4.3410 4.7649 4.7649 4.7814 4.7814 6.9808 6.9808 7.0059 7.0059 8.4620 8.4620 8.4683 8.4683 8.9977 8.9977 k =-0.0130 0.0172 0.8289 ( 9418 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5752 -36.5752 -36.5752 -36.5752 -6.2916 -6.2916 -6.2897 -6.2897 -5.2049 -5.2049 -5.2038 -5.2038 -1.4867 -1.4867 -1.4789 -1.4789 0.9650 0.9650 0.9700 0.9700 2.0166 2.0166 2.0229 2.0229 3.5022 3.5022 3.5201 3.5201 4.2939 4.2939 4.3403 4.3403 4.7622 4.7622 4.7802 4.7802 6.9842 6.9842 7.0094 7.0094 8.4670 8.4670 8.4733 8.4733 8.9968 8.9968 k =-0.0260 0.0344 0.8289 ( 9404 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5752 -36.5752 -36.5752 -36.5752 -6.2922 -6.2921 -6.2902 -6.2902 -5.2053 -5.2053 -5.2042 -5.2042 -1.4822 -1.4822 -1.4743 -1.4743 0.9669 0.9669 0.9716 0.9716 2.0172 2.0172 2.0246 2.0246 3.4908 3.4908 3.5100 3.5100 4.2900 4.2900 4.3382 4.3382 4.7547 4.7547 4.7763 4.7763 6.9944 6.9944 7.0196 7.0196 8.4816 8.4817 8.4880 8.4880 8.9941 8.9941 k =-0.0390 0.0516 0.8289 ( 9398 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8731 -36.8731 -36.5941 -36.5941 -36.5940 -36.5940 -36.5752 -36.5752 -36.5752 -36.5752 -6.2930 -6.2930 -6.2911 -6.2911 -5.2059 -5.2059 -5.2048 -5.2048 -1.4747 -1.4747 -1.4667 -1.4667 0.9700 0.9700 0.9744 0.9744 2.0184 2.0184 2.0271 2.0271 3.4724 3.4724 3.4934 3.4934 4.2838 4.2838 4.3346 4.3346 4.7428 4.7428 4.7694 4.7694 7.0112 7.0112 7.0364 7.0364 8.5048 8.5048 8.5111 8.5111 8.9894 8.9894 k =-0.0520 0.0688 0.8289 ( 9410 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5752 -36.5752 -36.5752 -36.5752 -6.2942 -6.2942 -6.2923 -6.2923 -5.2067 -5.2067 -5.2055 -5.2055 -1.4645 -1.4645 -1.4563 -1.4563 0.9744 0.9744 0.9784 0.9784 2.0201 2.0201 2.0306 2.0306 3.4475 3.4475 3.4709 3.4709 4.2751 4.2751 4.3294 4.3294 4.7269 4.7270 4.7592 4.7592 7.0343 7.0343 7.0596 7.0596 8.5344 8.5344 8.5407 8.5407 8.9826 8.9826 k =-0.0650 0.0859 0.8289 ( 9414 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5752 -36.5752 -36.5752 -36.5752 -6.2959 -6.2959 -6.2940 -6.2940 -5.2076 -5.2076 -5.2064 -5.2064 -1.4516 -1.4516 -1.4432 -1.4432 0.9799 0.9799 0.9836 0.9836 2.0223 2.0223 2.0349 2.0349 3.4171 3.4171 3.4432 3.4432 4.2643 4.2643 4.3227 4.3227 4.7077 4.7077 4.7460 4.7460 7.0633 7.0633 7.0887 7.0887 8.5670 8.5670 8.5736 8.5736 8.9741 8.9741 k =-0.0780 0.1031 0.8289 ( 9414 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5752 -36.5752 -36.5752 -36.5752 -6.2979 -6.2979 -6.2960 -6.2960 -5.2084 -5.2084 -5.2071 -5.2071 -1.4364 -1.4364 -1.4277 -1.4277 0.9866 0.9866 0.9903 0.9903 2.0251 2.0251 2.0398 2.0398 3.3820 3.3820 3.4109 3.4109 4.2513 4.2513 4.3143 4.3143 4.6854 4.6854 4.7299 4.7299 7.0976 7.0976 7.1231 7.1231 8.5976 8.5976 8.6052 8.6052 8.9659 8.9659 k =-0.0910 0.1203 0.8289 ( 9428 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5752 -36.5752 -36.5752 -36.5752 -6.3004 -6.3004 -6.2986 -6.2986 -5.2090 -5.2090 -5.2078 -5.2078 -1.4192 -1.4192 -1.4102 -1.4102 0.9942 0.9942 0.9986 0.9986 2.0284 2.0284 2.0455 2.0455 3.3433 3.3433 3.3750 3.3750 4.2362 4.2362 4.3041 4.3041 4.6606 4.6606 4.7113 4.7113 7.1364 7.1364 7.1620 7.1620 8.6189 8.6189 8.6292 8.6292 8.9617 8.9617 k =-0.1040 0.1375 0.8289 ( 9428 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5752 -36.5752 -36.5752 -36.5752 -6.3035 -6.3035 -6.3016 -6.3016 -5.2094 -5.2094 -5.2081 -5.2081 -1.4003 -1.4003 -1.3909 -1.3909 1.0029 1.0029 1.0086 1.0086 2.0321 2.0321 2.0517 2.0517 3.3020 3.3020 3.3365 3.3365 4.2191 4.2191 4.2921 4.2921 4.6340 4.6340 4.6906 4.6906 7.1787 7.1787 7.2044 7.2044 8.6240 8.6241 8.6382 8.6382 8.9658 8.9658 k =-0.1170 0.1547 0.8289 ( 9420 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5752 -36.5752 -36.5752 -36.5752 -6.3070 -6.3070 -6.3052 -6.3052 -5.2093 -5.2093 -5.2080 -5.2080 -1.3800 -1.3800 -1.3702 -1.3702 1.0127 1.0127 1.0202 1.0202 2.0361 2.0361 2.0585 2.0585 3.2591 3.2591 3.2963 3.2963 4.2001 4.2001 4.2781 4.2781 4.6062 4.6062 4.6685 4.6685 7.2233 7.2233 7.2490 7.2491 8.6103 8.6103 8.6276 8.6276 8.9802 8.9802 k =-0.1300 0.1719 0.8289 ( 9420 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5752 -36.5752 -36.5752 -36.5752 -6.3111 -6.3111 -6.3093 -6.3093 -5.2086 -5.2086 -5.2073 -5.2073 -1.3589 -1.3589 -1.3487 -1.3487 1.0239 1.0239 1.0335 1.0335 2.0405 2.0405 2.0657 2.0657 3.2156 3.2156 3.2552 3.2552 4.1791 4.1791 4.2619 4.2619 4.5779 4.5779 4.6454 4.6454 7.2687 7.2687 7.2944 7.2944 8.5801 8.5801 8.5987 8.5987 9.0013 9.0013 k =-0.1430 0.1891 0.8289 ( 9424 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5752 -36.5752 -36.5752 -36.5752 -6.3159 -6.3159 -6.3141 -6.3141 -5.2073 -5.2073 -5.2060 -5.2060 -1.3372 -1.3372 -1.3266 -1.3266 1.0365 1.0365 1.0486 1.0486 2.0450 2.0450 2.0733 2.0733 3.1723 3.1723 3.2142 3.2142 4.1562 4.1562 4.2434 4.2434 4.5501 4.5501 4.6220 4.6220 7.3131 7.3131 7.3386 7.3386 8.5387 8.5387 8.5573 8.5573 9.0221 9.0221 k =-0.1430 0.1891 0.8289 ( 9424 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5752 -36.5752 -36.5752 -36.5752 -6.3159 -6.3159 -6.3141 -6.3141 -5.2073 -5.2073 -5.2060 -5.2060 -1.3372 -1.3372 -1.3266 -1.3266 1.0365 1.0365 1.0486 1.0486 2.0450 2.0450 2.0733 2.0733 3.1723 3.1723 3.2142 3.2142 4.1562 4.1562 4.2434 4.2434 4.5501 4.5501 4.6220 4.6220 7.3131 7.3131 7.3386 7.3386 8.5387 8.5387 8.5573 8.5573 9.0221 9.0221 k =-0.1519 0.2009 0.8141 ( 9426 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5752 -36.5752 -36.5752 -36.5752 -6.3425 -6.3408 -6.2964 -6.2947 -5.2158 -5.2146 -5.1954 -5.1942 -1.3597 -1.3492 -1.2847 -1.2742 1.0388 1.0493 1.0589 1.0694 2.0152 2.0308 2.0958 2.1112 3.1233 3.1610 3.1687 3.2053 4.1193 4.1386 4.2267 4.2416 4.5122 4.5301 4.6079 4.6257 7.3376 7.3479 7.3669 7.3732 8.4790 8.4921 8.5403 8.5535 9.0240 9.0435 k =-0.1608 0.2127 0.7993 ( 9436 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5753 -36.5753 -36.5752 -36.5752 -6.3682 -6.3666 -6.2787 -6.2770 -5.2242 -5.2230 -5.1820 -5.1807 -1.3829 -1.3721 -1.2324 -1.2216 1.0449 1.0582 1.0786 1.0920 1.9829 2.0003 2.1339 2.1505 3.0772 3.1206 3.1527 3.1947 4.0696 4.0967 4.2221 4.2404 4.4669 4.4899 4.6159 4.6392 7.3587 7.3777 7.4018 7.4125 8.4145 8.4272 8.5420 8.5553 9.0184 9.0489 k =-0.1698 0.2245 0.7845 ( 9435 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5753 -36.5753 -36.5752 -36.5752 -6.3928 -6.3912 -6.2626 -6.2610 -5.2324 -5.2312 -5.1669 -5.1656 -1.4066 -1.3955 -1.1801 -1.1690 1.0550 1.0708 1.1002 1.1160 1.9520 1.9708 2.1695 2.1865 3.0349 3.0781 3.1400 3.1824 4.0124 4.0419 4.2191 4.2338 4.4228 4.4444 4.6324 4.6567 7.3744 7.3968 7.4456 7.4555 8.3498 8.3618 8.5485 8.5618 9.0039 9.0325 k =-0.1787 0.2363 0.7697 ( 9444 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5942 -36.5941 -36.5940 -36.5940 -36.5753 -36.5753 -36.5752 -36.5752 -6.4163 -6.4147 -6.2483 -6.2467 -5.2403 -5.2392 -5.1505 -5.1491 -1.4308 -1.4194 -1.1281 -1.1167 1.0691 1.0875 1.1228 1.1409 1.9230 1.9431 2.2013 2.2178 2.9977 3.0387 3.1256 3.1683 3.9509 3.9812 4.2093 4.2166 4.3867 4.4024 4.6518 4.6761 7.3822 7.4063 7.4936 7.5011 8.2877 8.2988 8.5596 8.5733 8.9805 9.0067 k =-0.1876 0.2481 0.7549 ( 9436 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8732 -36.8732 -36.8731 -36.5942 -36.5941 -36.5940 -36.5939 -36.5753 -36.5753 -36.5752 -36.5752 -6.4386 -6.4371 -6.2356 -6.2341 -5.2480 -5.2469 -5.1328 -5.1314 -1.4553 -1.4436 -1.0768 -1.0650 1.0870 1.1082 1.1462 1.1667 1.8960 1.9174 2.2282 2.2430 2.9663 3.0031 3.1095 3.1522 3.8872 3.9180 4.1817 4.1905 4.3631 4.3704 4.6723 4.6964 7.3805 7.4052 7.5436 7.5486 8.2300 8.2408 8.5751 8.5896 8.9501 8.9735 k =-0.1965 0.2599 0.7401 ( 9435 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8732 -36.8732 -36.8731 -36.5942 -36.5941 -36.5940 -36.5939 -36.5753 -36.5753 -36.5752 -36.5752 -6.4597 -6.4582 -6.2246 -6.2230 -5.2555 -5.2543 -5.1142 -5.1127 -1.4800 -1.4679 -1.0262 -1.0142 1.1083 1.1326 1.1701 1.1930 1.8712 1.8939 2.2495 2.2612 2.9416 2.9715 3.0915 3.1341 3.8229 3.8547 4.1377 4.1554 4.3497 4.3518 4.6931 4.7170 7.3680 7.3925 7.5933 7.5979 8.1783 8.1893 8.5932 8.6092 8.9168 8.9366 k =-0.2055 0.2717 0.7253 ( 9439 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8731 -36.5942 -36.5941 -36.5940 -36.5939 -36.5753 -36.5753 -36.5752 -36.5752 -6.4795 -6.4781 -6.2150 -6.2135 -5.2625 -5.2614 -5.0949 -5.0934 -1.5046 -1.4921 -0.9768 -0.9644 1.1327 1.1603 1.1943 1.2196 1.8487 1.8727 2.2647 2.2716 2.9233 2.9439 3.0717 3.1139 3.7594 3.7929 4.0873 4.1115 4.3403 4.3449 4.7138 4.7378 7.3447 7.3684 7.6411 7.6486 8.1332 8.1453 8.6104 8.6281 8.8870 8.9021 k =-0.2144 0.2835 0.7105 ( 9449 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8733 -36.8732 -36.8731 -36.5942 -36.5941 -36.5940 -36.5939 -36.5753 -36.5753 -36.5752 -36.5752 -6.4980 -6.4966 -6.2068 -6.2053 -5.2692 -5.2681 -5.0751 -5.0735 -1.5290 -1.5161 -0.9288 -0.9162 1.1597 1.1908 1.2189 1.2463 1.8285 1.8541 2.2738 2.2743 2.9098 2.9205 3.0503 3.0916 3.6980 3.7342 4.0355 4.0640 4.3354 4.3416 4.7341 4.7583 7.3115 7.3340 7.6867 7.6986 8.0953 8.1087 8.6195 8.6388 8.8696 8.8791 k =-0.2233 0.2953 0.6957 ( 9443 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8733 -36.8732 -36.8731 -36.5942 -36.5941 -36.5940 -36.5939 -36.5753 -36.5753 -36.5752 -36.5752 -6.5151 -6.5138 -6.1998 -6.1984 -5.2755 -5.2745 -5.0553 -5.0536 -1.5528 -1.5397 -0.8826 -0.8697 1.1889 1.2229 1.2442 1.2729 1.8109 1.8379 2.2700 2.2773 2.8922 2.9060 3.0281 3.0677 3.6400 3.6800 3.9853 4.0169 4.3327 4.3393 4.7538 4.7784 7.2703 7.2915 7.7291 7.7461 8.0645 8.0790 8.6132 8.6326 8.8737 8.8776 k =-0.2322 0.3071 0.6809 ( 9441 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8733 -36.8732 -36.8731 -36.5942 -36.5941 -36.5940 -36.5939 -36.5753 -36.5753 -36.5752 -36.5752 -6.5309 -6.5296 -6.1940 -6.1926 -5.2814 -5.2804 -5.0357 -5.0340 -1.5759 -1.5624 -0.8385 -0.8254 1.2194 1.2540 1.2720 1.2991 1.7957 1.8244 2.2603 2.2760 2.8686 2.8969 3.0066 3.0430 3.5865 3.6317 3.9386 3.9728 4.3308 4.3372 4.7727 4.7980 7.2237 7.2433 7.7668 7.7893 8.0413 8.0564 8.5909 8.6083 8.8986 8.9008 k =-0.2412 0.3189 0.6661 ( 9435 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8733 -36.8732 -36.8731 -36.5942 -36.5941 -36.5940 -36.5939 -36.5753 -36.5753 -36.5752 -36.5752 -6.5452 -6.5440 -6.1892 -6.1878 -5.2868 -5.2858 -5.0166 -5.0148 -1.5979 -1.5841 -0.7970 -0.7837 1.2503 1.2805 1.3048 1.3248 1.7830 1.8134 2.2470 2.2713 2.8412 2.8835 2.9882 3.0186 3.5387 3.5901 3.8964 3.9332 4.3289 4.3349 4.7908 4.8167 7.1739 7.1922 7.7974 7.8254 8.0268 8.0416 8.5592 8.5735 8.9371 8.9416 k =-0.2501 0.3307 0.6513 ( 9438 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8733 -36.8732 -36.8731 -36.5942 -36.5941 -36.5940 -36.5939 -36.5753 -36.5753 -36.5752 -36.5752 -6.5581 -6.5569 -6.1853 -6.1839 -5.2918 -5.2907 -4.9985 -4.9967 -1.6186 -1.6044 -0.7584 -0.7449 1.2806 1.3032 1.3410 1.3502 1.7727 1.8046 2.2322 2.2649 2.8091 2.8613 2.9746 2.9960 3.4979 3.5558 3.8596 3.8989 4.3268 4.3323 4.8078 4.8346 7.1234 7.1405 7.8183 7.8505 8.0233 8.0364 8.5239 8.5349 8.9845 8.9908 k =-0.2590 0.3425 0.6366 ( 9430 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8733 -36.8732 -36.8731 -36.5942 -36.5941 -36.5940 -36.5939 -36.5753 -36.5753 -36.5752 -36.5752 -6.5696 -6.5684 -6.1821 -6.1808 -5.2962 -5.2951 -4.9816 -4.9797 -1.6376 -1.6232 -0.7231 -0.7095 1.3087 1.3234 1.3755 1.3780 1.7644 1.7976 2.2179 2.2583 2.7724 2.8297 2.9638 2.9764 3.4645 3.5289 3.8283 3.8703 4.3244 4.3293 4.8235 4.8512 7.0742 7.0904 7.8283 7.8621 8.0322 8.0420 8.4886 8.4966 9.0361 9.0437 k =-0.2679 0.3543 0.6218 ( 9438 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8733 -36.8732 -36.8731 -36.5942 -36.5941 -36.5940 -36.5939 -36.5753 -36.5753 -36.5752 -36.5752 -6.5796 -6.5784 -6.1796 -6.1783 -5.3000 -5.2990 -4.9663 -4.9643 -1.6548 -1.6401 -0.6916 -0.6778 1.3330 1.3417 1.4012 1.4143 1.7579 1.7918 2.2060 2.2529 2.7322 2.7912 2.9505 2.9627 3.4388 3.5089 3.8025 3.8472 4.3218 4.3260 4.8378 4.8665 7.0280 7.0435 7.8291 7.8621 8.0503 8.0572 8.4549 8.4607 9.0885 9.0971 k =-0.2769 0.3661 0.6070 ( 9443 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8733 -36.8732 -36.8731 -36.5942 -36.5941 -36.5940 -36.5939 -36.5753 -36.5753 -36.5752 -36.5752 -6.5880 -6.5869 -6.1776 -6.1763 -5.3033 -5.3024 -4.9527 -4.9507 -1.6698 -1.6548 -0.6641 -0.6503 1.3521 1.3581 1.4271 1.4486 1.7526 1.7862 2.1983 2.2497 2.6908 2.7490 2.9345 2.9532 3.4201 3.4950 3.7819 3.8294 4.3191 4.3227 4.8505 4.8800 6.9863 7.0015 7.8241 7.8554 8.0718 8.0791 8.4237 8.4283 9.1393 9.1484 k =-0.2858 0.3779 0.5922 ( 9449 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8733 -36.8732 -36.8731 -36.5942 -36.5942 -36.5940 -36.5939 -36.5754 -36.5753 -36.5752 -36.5752 -6.5950 -6.5938 -6.1761 -6.1748 -5.3061 -5.3051 -4.9413 -4.9393 -1.6824 -1.6673 -0.6410 -0.6272 1.3665 1.3722 1.4524 1.4797 1.7484 1.7800 2.1959 2.2490 2.6508 2.7059 2.9196 2.9444 3.4075 3.4858 3.7661 3.8162 4.3166 4.3196 4.8612 4.8916 6.9505 6.9654 7.8167 7.8464 8.0936 8.1029 8.3953 8.4001 9.1859 9.1953 k =-0.2947 0.3897 0.5774 ( 9449 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8733 -36.8732 -36.8731 -36.5942 -36.5942 -36.5940 -36.5939 -36.5754 -36.5754 -36.5752 -36.5752 -6.6004 -6.5993 -6.1750 -6.1738 -5.3082 -5.3072 -4.9322 -4.9301 -1.6924 -1.6771 -0.6228 -0.6089 1.3771 1.3829 1.4755 1.5064 1.7452 1.7726 2.1992 2.2500 2.6156 2.6647 2.9068 2.9361 3.3994 3.4803 3.7545 3.8069 4.3143 4.3167 4.8699 4.9010 6.9214 6.9363 7.8092 7.8375 8.1140 8.1251 8.3710 8.3763 9.2259 9.2355 k =-0.3036 0.4015 0.5626 ( 9449 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8733 -36.8732 -36.8731 -36.5942 -36.5942 -36.5940 -36.5939 -36.5754 -36.5754 -36.5752 -36.5752 -6.6042 -6.6031 -6.1743 -6.1730 -5.3097 -5.3088 -4.9255 -4.9234 -1.6997 -1.6843 -0.6095 -0.5956 1.3846 1.3903 1.4943 1.5271 1.7436 1.7644 2.2069 2.2510 2.5892 2.6284 2.8971 2.9293 3.3947 3.4772 3.7467 3.8008 4.3127 4.3145 4.8762 4.9079 6.9001 6.9150 7.8031 7.8303 8.1312 8.1433 8.3520 8.3573 9.2569 9.2666 k =-0.3126 0.4133 0.5478 ( 9441 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8733 -36.8732 -36.8731 -36.5942 -36.5942 -36.5939 -36.5939 -36.5753 -36.5753 -36.5752 -36.5752 -6.6066 -6.6055 -6.1738 -6.1726 -5.3107 -5.3097 -4.9215 -4.9193 -1.7041 -1.6887 -0.6015 -0.5876 1.3891 1.3945 1.5068 1.5403 1.7443 1.7563 2.2160 2.2504 2.5748 2.6012 2.8910 2.9248 3.3923 3.4757 3.7422 3.7974 4.3117 4.3129 4.8801 4.9121 6.8870 6.9020 7.7991 7.8256 8.1430 8.1554 8.3398 8.3445 9.2768 9.2864 k =-0.3215 0.4251 0.5330 ( 9448 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8733 -36.8732 -36.8731 -36.5942 -36.5942 -36.5940 -36.5939 -36.5754 -36.5754 -36.5752 -36.5752 -6.6073 -6.6063 -6.1737 -6.1725 -5.3110 -5.3100 -4.9201 -4.9180 -1.7056 -1.6901 -0.5988 -0.5849 1.3906 1.3959 1.5113 1.5448 1.7466 1.7512 2.2205 2.2493 2.5716 2.5897 2.8890 2.9232 3.3916 3.4753 3.7407 3.7963 4.3114 4.3124 4.8814 4.9135 6.8826 6.8976 7.7977 7.8240 8.1473 8.1597 8.3356 8.3398 9.2836 9.2932 k =-0.3215 0.4251 0.5330 ( 9448 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8733 -36.8732 -36.8731 -36.5942 -36.5942 -36.5940 -36.5939 -36.5754 -36.5754 -36.5752 -36.5752 -6.6073 -6.6063 -6.1737 -6.1725 -5.3110 -5.3100 -4.9201 -4.9180 -1.7056 -1.6901 -0.5988 -0.5849 1.3906 1.3959 1.5113 1.5448 1.7466 1.7512 2.2205 2.2493 2.5716 2.5897 2.8890 2.9232 3.3916 3.4753 3.7407 3.7963 4.3114 4.3124 4.8814 4.9135 6.8826 6.8976 7.7977 7.8240 8.1473 8.1597 8.3356 8.3398 9.2836 9.2932 k =-0.3123 0.4129 0.5178 ( 9434 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8733 -36.8732 -36.8731 -36.5942 -36.5941 -36.5939 -36.5939 -36.5753 -36.5753 -36.5752 -36.5752 -6.6274 -6.6263 -6.1402 -6.1389 -5.3191 -5.3181 -4.9160 -4.9138 -1.7467 -1.7315 -0.5621 -0.5468 1.3592 1.3622 1.5086 1.5498 1.7638 1.7662 2.1839 2.2127 2.5834 2.5977 2.8406 2.8767 3.4269 3.5142 3.6978 3.7615 4.3433 4.3441 4.8925 4.9225 6.9238 6.9418 7.8244 7.8469 8.1751 8.1893 8.4400 8.4447 9.3636 9.3728 k =-0.3031 0.4008 0.5025 ( 9438 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8733 -36.8732 -36.8731 -36.5942 -36.5942 -36.5939 -36.5938 -36.5754 -36.5754 -36.5752 -36.5752 -6.6495 -6.6483 -6.1053 -6.1040 -5.3243 -5.3232 -4.9120 -4.9097 -1.7895 -1.7746 -0.5290 -0.5122 1.3230 1.3313 1.5120 1.5579 1.7875 1.7877 2.1497 2.1782 2.5919 2.6029 2.7928 2.8309 3.4615 3.5548 3.6587 3.7327 4.3685 4.3716 4.8990 4.9268 6.9647 6.9860 7.8482 7.8660 8.1904 8.2071 8.5438 8.5488 9.4578 9.4660 k =-0.2939 0.3887 0.4873 ( 9441 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8733 -36.8731 -36.8731 -36.5943 -36.5942 -36.5939 -36.5938 -36.5754 -36.5754 -36.5751 -36.5751 -6.6734 -6.6722 -6.0692 -6.0678 -5.3265 -5.3254 -4.9080 -4.9056 -1.8338 -1.8194 -0.4997 -0.4814 1.2876 1.2993 1.5201 1.5690 1.8147 1.8173 2.1183 2.1461 2.5966 2.6052 2.7465 2.7869 3.4927 3.5936 3.6269 3.7127 4.3878 4.3932 4.9006 4.9260 7.0047 7.0291 7.8712 7.8837 8.1966 8.2164 8.6448 8.6502 9.4702 9.4715 k =-0.2848 0.3765 0.4721 ( 9429 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8733 -36.8731 -36.8730 -36.5943 -36.5942 -36.5939 -36.5938 -36.5754 -36.5754 -36.5751 -36.5751 -6.6990 -6.6978 -6.0319 -6.0304 -5.3260 -5.3248 -4.9040 -4.9017 -1.8795 -1.8655 -0.4740 -0.4544 1.2532 1.2672 1.5320 1.5828 1.8461 1.8522 2.0901 2.1167 2.5968 2.6043 2.7028 2.7459 3.5164 3.5860 3.6475 3.7054 4.4005 4.4085 4.8974 4.9204 7.0429 7.0703 7.8955 7.9023 8.1974 8.2207 8.7406 8.7464 9.4236 9.4256 k =-0.2756 0.3644 0.4568 ( 9431 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8734 -36.8731 -36.8730 -36.5943 -36.5942 -36.5939 -36.5938 -36.5754 -36.5754 -36.5751 -36.5751 -6.7261 -6.7249 -5.9933 -5.9918 -5.3227 -5.3215 -4.9002 -4.8978 -1.9265 -1.9130 -0.4519 -0.4308 1.2200 1.2355 1.5470 1.5991 1.8794 1.8905 2.0660 2.0902 2.5924 2.6004 2.6633 2.7094 3.5283 3.5593 3.6929 3.7151 4.4065 4.4173 4.8895 4.9100 7.0788 7.1088 7.9226 7.9238 8.1961 8.2231 8.8277 8.8340 9.3682 9.3704 k =-0.2664 0.3522 0.4416 ( 9443 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8734 -36.8731 -36.8730 -36.5943 -36.5942 -36.5939 -36.5938 -36.5754 -36.5754 -36.5751 -36.5751 -6.7545 -6.7533 -5.9537 -5.9522 -5.3170 -5.3158 -4.8965 -4.8941 -1.9745 -1.9616 -0.4330 -0.4106 1.1883 1.2047 1.5644 1.6174 1.9102 1.9291 2.0486 2.0678 2.5837 2.5933 2.6300 2.6789 3.5285 3.5353 3.7413 3.7413 4.4056 4.4193 4.8773 4.8956 7.1125 7.1443 7.9498 7.9539 8.1953 8.2261 8.8991 8.9064 9.3105 9.3122 k =-0.2572 0.3401 0.4264 ( 9447 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8735 -36.8734 -36.8731 -36.8730 -36.5943 -36.5942 -36.5939 -36.5938 -36.5754 -36.5754 -36.5751 -36.5751 -6.7839 -6.7828 -5.9131 -5.9115 -5.3089 -5.3077 -4.8930 -4.8905 -2.0235 -2.0112 -0.4170 -0.3933 1.1581 1.1751 1.5836 1.6375 1.9305 1.9620 2.0425 2.0527 2.5727 2.5831 2.6062 2.6554 3.5145 3.5214 3.7789 3.7917 4.3976 4.4145 4.8614 4.8777 7.1440 7.1770 7.9813 7.9899 8.1968 8.2314 8.9398 8.9483 9.2653 9.2657 k =-0.2480 0.3279 0.4112 ( 9443 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8735 -36.8734 -36.8731 -36.8730 -36.5943 -36.5942 -36.5939 -36.5938 -36.5754 -36.5754 -36.5751 -36.5751 -6.8141 -6.8130 -5.8715 -5.8698 -5.2987 -5.2975 -4.8896 -4.8871 -2.0732 -2.0615 -0.4034 -0.3786 1.1297 1.1471 1.6042 1.6588 1.9338 1.9771 2.0502 2.0528 2.5626 2.5710 2.5948 2.6394 3.4965 3.5107 3.8236 3.8439 4.3828 4.4027 4.8426 4.8573 7.1742 7.2073 8.0183 8.0306 8.2017 8.2400 8.9266 8.9357 9.2557 9.2562 k =-0.2388 0.3158 0.3959 ( 9433 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8735 -36.8734 -36.8731 -36.8730 -36.5943 -36.5942 -36.5938 -36.5937 -36.5754 -36.5754 -36.5751 -36.5751 -6.8450 -6.8439 -5.8290 -5.8273 -5.2867 -5.2854 -4.8864 -4.8839 -2.1236 -2.1126 -0.3920 -0.3660 1.1032 1.1208 1.6254 1.6809 1.9244 1.9717 2.0633 2.0662 2.5556 2.5587 2.5986 2.6339 3.4805 3.4981 3.8727 3.8977 4.3613 4.3843 4.8219 4.8356 7.2036 7.2361 8.0602 8.0751 8.2108 8.2526 8.8599 8.8683 9.2835 9.2837 k =-0.2296 0.3036 0.3807 ( 9435 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8735 -36.8734 -36.8731 -36.8730 -36.5943 -36.5943 -36.5938 -36.5937 -36.5754 -36.5754 -36.5751 -36.5751 -6.8761 -6.8751 -5.7858 -5.7841 -5.2730 -5.2717 -4.8833 -4.8808 -2.1745 -2.1641 -0.3821 -0.3551 1.0787 1.0964 1.6465 1.7033 1.9092 1.9580 2.0713 2.0769 2.5456 2.5483 2.6218 2.6460 3.4657 3.4840 3.9246 3.9531 4.3335 4.3597 4.8004 4.8137 7.2333 7.2643 8.1060 8.1222 8.2243 8.2693 8.7632 8.7703 9.3258 9.3260 k =-0.2205 0.2915 0.3655 ( 9427 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8735 -36.8734 -36.8730 -36.8730 -36.5944 -36.5943 -36.5938 -36.5937 -36.5754 -36.5754 -36.5751 -36.5751 -6.9075 -6.9065 -5.7419 -5.7401 -5.2579 -5.2566 -4.8805 -4.8780 -2.2257 -2.2159 -0.3733 -0.3454 1.0564 1.0740 1.6669 1.7252 1.8912 1.9417 2.0707 2.0778 2.5320 2.5370 2.6647 2.6809 3.4514 3.4683 3.9786 4.0099 4.3003 4.3294 4.7793 4.7929 7.2637 7.2928 8.1540 8.1700 8.2422 8.2898 8.6522 8.6577 9.3677 9.3681 k =-0.2113 0.2793 0.3502 ( 9435 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8735 -36.8734 -36.8730 -36.8730 -36.5944 -36.5943 -36.5938 -36.5937 -36.5754 -36.5754 -36.5751 -36.5751 -6.9387 -6.9378 -5.6974 -5.6956 -5.2416 -5.2402 -4.8779 -4.8754 -2.2771 -2.2679 -0.3653 -0.3366 1.0363 1.0540 1.6856 1.7460 1.8713 1.9241 2.0629 2.0693 2.5189 2.5226 2.7245 2.7361 3.4367 3.4506 4.0342 4.0679 4.2622 4.2942 4.7598 4.7746 7.2953 7.3222 8.2023 8.2156 8.2639 8.3136 8.5356 8.5382 9.4026 9.4032 k =-0.2021 0.2672 0.3350 ( 9439 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8735 -36.8734 -36.8730 -36.8729 -36.5944 -36.5943 -36.5938 -36.5937 -36.5754 -36.5754 -36.5751 -36.5751 -6.9697 -6.9688 -5.6525 -5.6507 -5.2243 -5.2230 -4.8755 -4.8730 -2.3285 -2.3199 -0.3577 -0.3282 1.0187 1.0362 1.7017 1.7650 1.8493 1.9046 2.0511 2.0550 2.5068 2.5071 2.7976 2.8065 3.4212 3.4307 4.0907 4.1271 4.2202 4.2550 4.7430 4.7600 7.3281 7.3526 8.2482 8.2549 8.2857 8.3398 8.4168 8.4229 9.4269 9.4280 k =-0.1929 0.2551 0.3198 ( 9449 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8735 -36.8735 -36.8730 -36.8729 -36.5944 -36.5943 -36.5938 -36.5937 -36.5755 -36.5754 -36.5751 -36.5751 -7.0003 -6.9994 -5.6072 -5.6054 -5.2062 -5.2049 -4.8733 -4.8708 -2.3798 -2.3718 -0.3501 -0.3199 1.0036 1.0209 1.7142 1.7814 1.8252 1.8825 2.0382 2.0386 2.4917 2.4963 2.8804 2.8879 3.4045 3.4084 4.1475 4.1754 4.1873 4.2131 4.7298 4.7499 7.3614 7.3833 8.2510 8.2690 8.2944 8.3169 8.3638 8.3674 9.4367 9.4409 k =-0.1837 0.2429 0.3046 ( 9459 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8736 -36.8735 -36.8730 -36.8729 -36.5944 -36.5943 -36.5938 -36.5937 -36.5755 -36.5755 -36.5751 -36.5751 -7.0303 -7.0294 -5.5617 -5.5599 -5.1876 -5.1863 -4.8713 -4.8689 -2.4309 -2.4235 -0.3423 -0.3115 0.9910 1.0082 1.7216 1.7944 1.7997 1.8569 2.0231 2.0264 2.4771 2.4877 2.9701 2.9765 3.3840 3.3870 4.1291 4.1665 4.2077 4.2483 4.7209 4.7451 7.3938 7.4132 8.1504 8.1667 8.3199 8.3375 8.3812 8.3946 9.3913 9.4258 k =-0.1745 0.2308 0.2893 ( 9459 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8736 -36.8735 -36.8730 -36.8729 -36.5944 -36.5944 -36.5937 -36.5937 -36.5755 -36.5755 -36.5750 -36.5750 -7.0596 -7.0587 -5.5161 -5.5143 -5.1687 -5.1674 -4.8695 -4.8672 -2.4815 -2.4747 -0.3339 -0.3026 0.9810 0.9982 1.7201 1.7762 1.8024 1.8286 2.0102 2.0167 2.4636 2.4809 3.0641 3.0696 3.3582 3.3692 4.0826 4.1229 4.2644 4.3098 4.7168 4.7461 7.4224 7.4391 8.0412 8.0549 8.3430 8.3663 8.4050 8.4196 9.2863 9.3110 k =-0.1653 0.2186 0.2741 ( 9453 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8736 -36.8735 -36.8730 -36.8729 -36.5945 -36.5944 -36.5937 -36.5937 -36.5755 -36.5755 -36.5750 -36.5750 -7.0880 -7.0872 -5.4707 -5.4688 -5.1495 -5.1482 -4.8680 -4.8657 -2.5316 -2.5253 -0.3249 -0.2931 0.9738 0.9908 1.7040 1.7608 1.7896 1.8136 2.0002 2.0093 2.4509 2.4756 3.1602 3.1635 3.3322 3.3529 4.0378 4.0797 4.3218 4.3718 4.7176 4.7530 7.4414 7.4554 7.9420 7.9549 8.3606 8.3857 8.4206 8.4394 9.1796 9.1980 k =-0.1562 0.2065 0.2589 ( 9469 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8736 -36.8735 -36.8730 -36.8729 -36.5945 -36.5944 -36.5937 -36.5937 -36.5755 -36.5755 -36.5750 -36.5750 -7.1154 -7.1146 -5.4254 -5.4236 -5.1304 -5.1291 -4.8667 -4.8644 -2.5809 -2.5751 -0.3149 -0.2829 0.9693 0.9862 1.6751 1.7524 1.7551 1.8131 1.9930 2.0038 2.4385 2.4709 3.2501 3.2532 3.3098 3.3449 3.9971 4.0400 4.3785 4.4338 4.7233 4.7657 7.4411 7.4522 7.8639 7.8769 8.3697 8.3926 8.4235 8.4503 9.0792 9.0918 k =-0.1470 0.1943 0.2436 ( 9465 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8736 -36.8735 -36.8730 -36.8729 -36.5945 -36.5944 -36.5937 -36.5936 -36.5755 -36.5755 -36.5750 -36.5750 -7.1417 -7.1410 -5.3806 -5.3788 -5.1114 -5.1101 -4.8656 -4.8633 -2.6293 -2.6241 -0.3040 -0.2717 0.9676 0.9844 1.6403 1.7171 1.7448 1.8098 1.9881 1.9998 2.4256 2.4655 3.2782 3.2921 3.3542 3.3796 3.9643 4.0073 4.4343 4.4957 4.7336 4.7840 7.4103 7.4189 7.8174 7.8304 8.3669 8.3861 8.4116 8.4474 8.9902 8.9975 k =-0.1378 0.1822 0.2284 ( 9463 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8736 -36.8735 -36.8730 -36.8729 -36.5945 -36.5944 -36.5937 -36.5936 -36.5755 -36.5755 -36.5750 -36.5750 -7.1668 -7.1662 -5.3364 -5.3346 -5.0927 -5.0914 -4.8647 -4.8625 -2.6767 -2.6720 -0.2920 -0.2597 0.9687 0.9854 1.6032 1.6777 1.7353 1.8027 1.9848 1.9971 2.4115 2.4582 3.2608 3.2909 3.4363 3.4510 3.9453 3.9866 4.4887 4.5569 4.7481 4.8073 7.3482 7.3552 7.8013 7.8136 8.3488 8.3675 8.3854 8.4250 8.9168 8.9203 k =-0.1286 0.1700 0.2132 ( 9463 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8736 -36.8735 -36.8730 -36.8729 -36.5945 -36.5944 -36.5937 -36.5936 -36.5755 -36.5755 -36.5750 -36.5750 -7.1907 -7.1901 -5.2930 -5.2912 -5.0745 -5.0732 -4.8640 -4.8619 -2.7228 -2.7185 -0.2790 -0.2467 0.9726 0.9893 1.5652 1.6374 1.7233 1.7919 1.9827 1.9951 2.3951 2.4477 3.2472 3.2860 3.5036 3.5114 3.9491 3.9857 4.5415 4.6169 4.7666 4.8350 7.2662 7.2722 7.8006 7.8115 8.3110 8.3412 8.3513 8.3801 8.8613 8.8632 k =-0.1194 0.1579 0.1980 ( 9455 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8736 -36.8736 -36.8729 -36.8729 -36.5945 -36.5944 -36.5937 -36.5936 -36.5755 -36.5755 -36.5750 -36.5750 -7.2132 -7.2126 -5.2506 -5.2489 -5.0568 -5.0555 -4.8634 -4.8614 -2.7675 -2.7637 -0.2649 -0.2329 0.9794 0.9960 1.5270 1.5969 1.7088 1.7777 1.9814 1.9937 2.3761 2.4330 3.2399 3.2845 3.5464 3.5470 3.9837 4.0122 4.5924 4.6750 4.7888 4.8665 7.1754 7.1809 7.7983 7.8070 8.2518 8.3079 8.3213 8.3224 8.8218 8.8236 k =-0.1102 0.1457 0.1827 ( 9461 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8736 -36.8736 -36.8729 -36.8729 -36.5945 -36.5945 -36.5937 -36.5936 -36.5755 -36.5755 -36.5750 -36.5750 -7.2343 -7.2338 -5.2095 -5.2079 -5.0399 -5.0386 -4.8631 -4.8612 -2.8105 -2.8071 -0.2499 -0.2184 0.9888 1.0054 1.4894 1.5565 1.6919 1.7604 1.9807 1.9926 2.3542 2.4137 3.2393 3.2876 3.5558 3.5648 4.0479 4.0674 4.6412 4.7298 4.8153 4.9008 7.0828 7.0878 7.7807 7.7871 8.1781 8.2328 8.3032 8.3032 8.7933 8.7950 k =-0.1010 0.1336 0.1675 ( 9461 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8736 -36.8736 -36.8729 -36.8729 -36.5945 -36.5945 -36.5937 -36.5936 -36.5755 -36.5755 -36.5750 -36.5750 -7.2539 -7.2534 -5.1700 -5.1685 -5.0237 -5.0225 -4.8630 -4.8611 -2.8516 -2.8486 -0.2341 -0.2032 1.0010 1.0176 1.4526 1.5166 1.6728 1.7403 1.9803 1.9917 2.3298 2.3901 3.2452 3.2954 3.5485 3.5636 4.1321 4.1443 4.6881 4.7788 4.8474 4.9371 6.9920 6.9966 7.7405 7.7446 8.0975 8.1470 8.3026 8.3048 8.7706 8.7713 k =-0.0919 0.1215 0.1523 ( 9453 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8736 -36.8736 -36.8729 -36.8729 -36.5945 -36.5945 -36.5936 -36.5936 -36.5755 -36.5755 -36.5750 -36.5750 -7.2719 -7.2715 -5.1324 -5.1309 -5.0085 -5.0073 -4.8631 -4.8613 -2.8905 -2.8879 -0.2177 -0.1877 1.0158 1.0324 1.4173 1.4776 1.6517 1.7177 1.9801 1.9908 2.3035 2.3631 3.2567 3.3072 3.5333 3.5521 4.2268 4.2336 4.7330 4.8199 4.8864 4.9743 6.9050 6.9092 7.6781 7.6805 8.0150 8.0595 8.3192 8.3232 8.7487 8.7500 k =-0.0827 0.1093 0.1371 ( 9461 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8736 -36.8736 -36.8729 -36.8729 -36.5945 -36.5945 -36.5936 -36.5936 -36.5755 -36.5755 -36.5750 -36.5750 -7.2884 -7.2880 -5.0968 -5.0954 -4.9943 -4.9931 -4.8633 -4.8616 -2.9271 -2.9248 -0.2008 -0.1722 1.0331 1.0496 1.3838 1.4397 1.6288 1.6928 1.9799 1.9898 2.2765 2.3337 3.2725 3.3219 3.5155 3.5362 4.3255 4.3282 4.7763 4.8539 4.9307 5.0114 6.8234 6.8272 7.5991 7.6005 7.9341 7.9739 8.3485 8.3536 8.7258 8.7297 k =-0.0735 0.0972 0.1218 ( 9469 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8736 -36.8736 -36.8729 -36.8729 -36.5945 -36.5945 -36.5936 -36.5936 -36.5756 -36.5756 -36.5750 -36.5750 -7.3033 -7.3029 -5.0637 -5.0625 -4.9811 -4.9800 -4.8637 -4.8621 -2.9609 -2.9589 -0.1839 -0.1568 1.0527 1.0691 1.3525 1.4034 1.6044 1.6658 1.9796 1.9887 2.2497 2.3033 3.2912 3.3385 3.4982 3.5196 4.4230 4.4238 4.8184 4.8841 4.9764 5.0474 6.7481 6.7515 7.5103 7.5111 7.8575 7.8927 8.3850 8.3906 8.7025 8.7093 k =-0.0643 0.0850 0.1066 ( 9467 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8736 -36.8736 -36.8729 -36.8729 -36.5945 -36.5945 -36.5936 -36.5936 -36.5756 -36.5756 -36.5750 -36.5750 -7.3164 -7.3161 -5.0335 -5.0323 -4.9692 -4.9681 -4.8642 -4.8627 -2.9917 -2.9901 -0.1672 -0.1421 1.0744 1.0904 1.3241 1.3691 1.5788 1.6371 1.9792 1.9874 2.2242 2.2732 3.3112 3.3554 3.4830 3.5042 4.5139 4.5181 4.8598 4.9128 5.0207 5.0815 6.6799 6.6828 7.4173 7.4178 7.7867 7.8175 8.4244 8.4300 8.6796 8.6889 k =-0.0551 0.0729 0.0914 ( 9463 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8736 -36.8736 -36.8729 -36.8729 -36.5945 -36.5945 -36.5936 -36.5936 -36.5756 -36.5756 -36.5750 -36.5750 -7.3279 -7.3277 -5.0063 -5.0053 -4.9584 -4.9574 -4.8649 -4.8635 -3.0193 -3.0179 -0.1511 -0.1285 1.0978 1.1131 1.2991 1.3372 1.5524 1.6070 1.9788 1.9859 2.2009 2.2444 3.3310 3.3710 3.4711 3.4911 4.5974 4.6050 4.9014 4.9412 5.0622 5.1127 6.6194 6.6219 7.3247 7.3250 7.7232 7.7497 8.4634 8.4685 8.6580 8.6691 k =-0.0459 0.0607 0.0761 ( 9459 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8736 -36.8736 -36.8729 -36.8729 -36.5945 -36.5945 -36.5936 -36.5936 -36.5755 -36.5755 -36.5750 -36.5750 -7.3377 -7.3375 -4.9826 -4.9818 -4.9490 -4.9481 -4.8657 -4.8645 -3.0433 -3.0421 -0.1361 -0.1163 1.1225 1.1364 1.2780 1.3082 1.5259 1.5760 1.9783 1.9843 2.1808 2.2180 3.3491 3.3838 3.4634 3.4811 4.6700 4.6807 4.9434 4.9705 5.0999 5.1405 6.5673 6.5694 7.2365 7.2367 7.6681 7.6903 8.4997 8.5037 8.6390 8.6506 k =-0.0367 0.0486 0.0609 ( 9457 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8736 -36.8736 -36.8729 -36.8729 -36.5945 -36.5945 -36.5936 -36.5936 -36.5755 -36.5755 -36.5750 -36.5750 -7.3457 -7.3455 -4.9627 -4.9620 -4.9410 -4.9403 -4.8665 -4.8655 -3.0633 -3.0624 -0.1226 -0.1061 1.1479 1.1592 1.2615 1.2827 1.5002 1.5448 1.9779 1.9827 2.1643 2.1948 3.3644 3.3921 3.4605 3.4745 4.7291 4.7420 4.9852 5.0010 5.1332 5.1640 6.5239 6.5257 7.1566 7.1567 7.6222 7.6401 8.5315 8.5337 8.6235 8.6339 k =-0.0276 0.0364 0.0457 ( 9463 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8736 -36.8736 -36.8729 -36.8729 -36.5945 -36.5945 -36.5936 -36.5936 -36.5755 -36.5755 -36.5750 -36.5750 -7.3519 -7.3518 -4.9469 -4.9464 -4.9345 -4.9339 -4.8673 -4.8665 -3.0792 -3.0786 -0.1109 -0.0982 1.1729 1.1794 1.2505 1.2610 1.4770 1.5147 1.9776 1.9812 2.1521 2.1753 3.3760 3.3957 3.4617 3.4710 4.7739 4.7867 5.0243 5.0315 5.1613 5.1830 6.4898 6.4911 7.0887 7.0889 7.5863 7.5998 8.5567 8.5572 8.6129 8.6199 k =-0.0184 0.0243 0.0305 ( 9459 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8736 -36.8736 -36.8729 -36.8729 -36.5945 -36.5945 -36.5936 -36.5936 -36.5755 -36.5755 -36.5750 -36.5750 -7.3564 -7.3563 -4.9354 -4.9352 -4.9296 -4.9292 -4.8679 -4.8673 -3.0907 -3.0903 -0.1016 -0.0929 1.1949 1.1957 1.2438 1.2448 1.4589 1.4873 1.9775 1.9799 2.1443 2.1600 3.3840 3.3961 3.4648 3.4699 4.8052 4.8154 5.0562 5.0583 5.1835 5.1969 6.4653 6.4662 7.0368 7.0369 7.5609 7.5700 8.5712 8.5752 8.6082 8.6099 k =-0.0092 0.0121 0.0152 ( 9451 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8736 -36.8736 -36.8729 -36.8729 -36.5945 -36.5945 -36.5936 -36.5936 -36.5755 -36.5755 -36.5750 -36.5750 -7.3591 -7.3590 -4.9288 -4.9288 -4.9260 -4.9260 -4.8683 -4.8680 -3.0976 -3.0974 -0.0950 -0.0905 1.2051 1.2118 1.2337 1.2418 1.4494 1.4651 1.9776 1.9788 2.1412 2.1491 3.3892 3.3948 3.4678 3.4699 4.8245 4.8301 5.0769 5.0770 5.1985 5.2048 6.4506 6.4510 7.0040 7.0040 7.5465 7.5510 8.5780 8.5826 8.6066 8.6081 k = 0.0000 0.0000 0.0000 ( 9461 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8736 -36.8736 -36.8729 -36.8729 -36.5946 -36.5946 -36.5936 -36.5936 -36.5755 -36.5755 -36.5750 -36.5750 -7.3599 -7.3599 -4.9270 -4.9270 -4.9246 -4.9246 -4.8683 -4.8683 -3.0999 -3.0999 -0.0912 -0.0912 1.2122 1.2122 1.2367 1.2367 1.4515 1.4515 1.9781 1.9781 2.1428 2.1428 3.3926 3.3926 3.4695 3.4695 4.8327 4.8327 5.0838 5.0838 5.2057 5.2057 6.4458 6.4458 6.9928 6.9928 7.5431 7.5431 8.5815 8.5815 8.6079 8.6079 k = 0.0000 0.0000 0.0000 ( 9461 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8736 -36.8736 -36.8729 -36.8729 -36.5946 -36.5946 -36.5936 -36.5936 -36.5755 -36.5755 -36.5750 -36.5750 -7.3599 -7.3599 -4.9270 -4.9270 -4.9246 -4.9246 -4.8683 -4.8683 -3.0999 -3.0999 -0.0912 -0.0912 1.2122 1.2122 1.2367 1.2367 1.4515 1.4515 1.9781 1.9781 2.1428 2.1428 3.3926 3.3926 3.4695 3.4695 4.8327 4.8327 5.0838 5.0838 5.2057 5.2057 6.4458 6.4458 6.9928 6.9928 7.5431 7.5431 8.5815 8.5815 8.6079 8.6079 k = 0.0172 0.0130 0.0000 ( 9433 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8736 -36.8736 -36.8728 -36.8728 -36.5945 -36.5945 -36.5936 -36.5936 -36.5755 -36.5755 -36.5749 -36.5749 -7.3589 -7.3589 -4.9271 -4.9271 -4.9247 -4.9247 -4.8734 -4.8734 -3.0945 -3.0945 -0.0944 -0.0944 1.2135 1.2135 1.2383 1.2383 1.4556 1.4556 1.9698 1.9698 2.1526 2.1526 3.3934 3.3934 3.4703 3.4703 4.8289 4.8289 5.0807 5.0807 5.1943 5.1943 6.4492 6.4492 7.0054 7.0054 7.5440 7.5440 8.5812 8.5812 8.6071 8.6071 k = 0.0345 0.0261 0.0000 ( 9425 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8736 -36.8736 -36.8728 -36.8728 -36.5945 -36.5945 -36.5936 -36.5936 -36.5755 -36.5755 -36.5749 -36.5749 -7.3557 -7.3557 -4.9275 -4.9275 -4.9251 -4.9251 -4.8883 -4.8883 -3.0784 -3.0784 -0.1039 -0.1039 1.2177 1.2177 1.2430 1.2430 1.4680 1.4680 1.9493 1.9493 2.1777 2.1777 3.3959 3.3959 3.4727 3.4727 4.8172 4.8172 5.0715 5.0715 5.1615 5.1615 6.4593 6.4593 7.0422 7.0422 7.5465 7.5465 8.5798 8.5798 8.6044 8.6044 k = 0.0517 0.0391 0.0000 ( 9437 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8736 -36.8736 -36.8729 -36.8729 -36.5945 -36.5945 -36.5936 -36.5936 -36.5755 -36.5755 -36.5749 -36.5749 -7.3504 -7.3504 -4.9282 -4.9282 -4.9258 -4.9258 -4.9126 -4.9126 -3.0522 -3.0522 -0.1194 -0.1194 1.2246 1.2246 1.2507 1.2507 1.4881 1.4881 1.9234 1.9234 2.2113 2.2113 3.3999 3.3999 3.4767 3.4767 4.7971 4.7971 5.0563 5.0563 5.1109 5.1109 6.4762 6.4762 7.0999 7.0999 7.5507 7.5507 8.5760 8.5760 8.5985 8.5985 k = 0.0690 0.0522 0.0000 ( 9437 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8736 -36.8736 -36.8729 -36.8729 -36.5945 -36.5945 -36.5936 -36.5936 -36.5755 -36.5755 -36.5750 -36.5750 -7.3430 -7.3430 -4.9455 -4.9455 -4.9290 -4.9290 -4.9267 -4.9267 -3.0168 -3.0168 -0.1404 -0.1404 1.2342 1.2342 1.2614 1.2614 1.5154 1.5154 1.8959 1.8959 2.2497 2.2497 3.4055 3.4055 3.4821 3.4821 4.7676 4.7676 5.0356 5.0356 5.0475 5.0475 6.4998 6.4998 7.1742 7.1742 7.5564 7.5564 8.5678 8.5678 8.5876 8.5876 k = 0.0862 0.0652 0.0000 ( 9453 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8736 -36.8736 -36.8729 -36.8729 -36.5945 -36.5945 -36.5936 -36.5936 -36.5755 -36.5755 -36.5750 -36.5750 -7.3336 -7.3336 -4.9857 -4.9857 -4.9302 -4.9302 -4.9279 -4.9279 -2.9732 -2.9732 -0.1664 -0.1664 1.2466 1.2466 1.2749 1.2749 1.5493 1.5493 1.8690 1.8690 2.2908 2.2908 3.4124 3.4124 3.4888 3.4888 4.7267 4.7267 4.9775 4.9775 5.0098 5.0098 6.5300 6.5300 7.2603 7.2603 7.5634 7.5634 8.5524 8.5524 8.5691 8.5691 k = 0.1034 0.0782 0.0000 ( 9461 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8736 -36.8736 -36.8729 -36.8729 -36.5945 -36.5945 -36.5936 -36.5936 -36.5755 -36.5755 -36.5750 -36.5750 -7.3220 -7.3220 -5.0323 -5.0323 -4.9316 -4.9316 -4.9294 -4.9294 -2.9225 -2.9225 -0.1966 -0.1966 1.2616 1.2616 1.2910 1.2910 1.5886 1.5886 1.8440 1.8440 2.3337 2.3337 3.4206 3.4206 3.4967 3.4967 4.6717 4.6717 4.9077 4.9077 4.9794 4.9794 6.5667 6.5667 7.3530 7.3530 7.5716 7.5716 8.5265 8.5265 8.5404 8.5404 k = 0.1207 0.0913 0.0000 ( 9465 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8736 -36.8736 -36.8729 -36.8729 -36.5945 -36.5945 -36.5936 -36.5936 -36.5755 -36.5755 -36.5750 -36.5750 -7.3083 -7.3083 -5.0844 -5.0844 -4.9332 -4.9332 -4.9310 -4.9310 -2.8657 -2.8657 -0.2304 -0.2304 1.2793 1.2793 1.3097 1.3097 1.6320 1.6320 1.8220 1.8220 2.3777 2.3777 3.4299 3.4299 3.5055 3.5055 4.6004 4.6004 4.8435 4.8435 4.9452 4.9452 6.6097 6.6097 7.4466 7.4466 7.5807 7.5807 8.4826 8.4826 8.4922 8.4922 k = 0.1379 0.1043 0.0000 ( 9453 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8736 -36.8736 -36.8729 -36.8729 -36.5945 -36.5945 -36.5936 -36.5936 -36.5755 -36.5755 -36.5750 -36.5750 -7.2925 -7.2925 -5.1409 -5.1409 -4.9350 -4.9350 -4.9328 -4.9328 -2.8040 -2.8040 -0.2673 -0.2673 1.2994 1.2994 1.3309 1.3309 1.6769 1.6769 1.8054 1.8054 2.4225 2.4225 3.4399 3.4399 3.5149 3.5149 4.5142 4.5142 4.7867 4.7867 4.9079 4.9079 6.6590 6.6590 7.5330 7.5330 7.5912 7.5912 8.4230 8.4230 8.4367 8.4367 k = 0.1552 0.1174 0.0000 ( 9453 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8736 -36.8736 -36.8729 -36.8729 -36.5945 -36.5945 -36.5936 -36.5936 -36.5755 -36.5755 -36.5750 -36.5750 -7.2747 -7.2747 -5.2010 -5.2010 -4.9370 -4.9370 -4.9349 -4.9349 -2.7382 -2.7382 -0.3067 -0.3067 1.3218 1.3218 1.3544 1.3544 1.7151 1.7151 1.8017 1.8017 2.4677 2.4677 3.4505 3.4505 3.5247 3.5247 4.4168 4.4168 4.7360 4.7360 4.8683 4.8683 6.7144 6.7144 7.5902 7.5902 7.6149 7.6149 8.3688 8.3688 8.3779 8.3779 k = 0.1724 0.1304 0.0000 ( 9437 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8736 -36.8736 -36.8729 -36.8729 -36.5945 -36.5945 -36.5936 -36.5936 -36.5755 -36.5755 -36.5750 -36.5750 -7.2547 -7.2547 -5.2638 -5.2638 -4.9391 -4.9391 -4.9370 -4.9370 -2.6691 -2.6691 -0.3482 -0.3482 1.3464 1.3464 1.3801 1.3801 1.7302 1.7302 1.8271 1.8271 2.5131 2.5131 3.4612 3.4612 3.5343 3.5343 4.3124 4.3124 4.6894 4.6894 4.8272 4.8272 6.7756 6.7756 7.6029 7.6029 7.6543 7.6543 8.2883 8.2883 8.2986 8.2986 k = 0.1897 0.1434 0.0000 ( 9429 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8735 -36.8735 -36.8729 -36.8729 -36.5944 -36.5944 -36.5937 -36.5937 -36.5755 -36.5755 -36.5750 -36.5750 -7.2328 -7.2328 -5.3289 -5.3289 -4.9413 -4.9413 -4.9393 -4.9393 -2.5975 -2.5975 -0.3914 -0.3914 1.3731 1.3731 1.4078 1.4078 1.7276 1.7276 1.8757 1.8757 2.5585 2.5585 3.4717 3.4717 3.5433 3.5433 4.2042 4.2042 4.6460 4.6460 4.7855 4.7855 6.8424 6.8424 7.6090 7.6090 7.6626 7.6626 8.1978 8.1978 8.2091 8.2091 k = 0.2069 0.1565 0.0000 ( 9433 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8735 -36.8735 -36.8729 -36.8729 -36.5944 -36.5944 -36.5937 -36.5937 -36.5755 -36.5755 -36.5750 -36.5750 -7.2087 -7.2087 -5.3956 -5.3956 -4.9436 -4.9436 -4.9417 -4.9417 -2.5239 -2.5239 -0.4359 -0.4359 1.4015 1.4015 1.4373 1.4373 1.7219 1.7219 1.9322 1.9322 2.6035 2.6035 3.4813 3.4813 3.5510 3.5510 4.0944 4.0944 4.6055 4.6055 4.7440 4.7440 6.9144 6.9144 7.6087 7.6087 7.6404 7.6404 8.0998 8.0998 8.1120 8.1120 k = 0.2241 0.1695-0.0000 ( 9433 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8735 -36.8735 -36.8730 -36.8730 -36.5944 -36.5944 -36.5937 -36.5937 -36.5755 -36.5755 -36.5750 -36.5750 -7.1827 -7.1827 -5.4634 -5.4634 -4.9460 -4.9460 -4.9442 -4.9442 -2.4490 -2.4490 -0.4815 -0.4815 1.4315 1.4315 1.4685 1.4685 1.7178 1.7178 1.9915 1.9915 2.6480 2.6480 3.4895 3.4895 3.5566 3.5566 3.9849 3.9849 4.5682 4.5682 4.7039 4.7039 6.9913 6.9913 7.5789 7.5789 7.6202 7.6202 7.9969 7.9969 8.0098 8.0098 k = 0.2414 0.1826 0.0000 ( 9433 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8735 -36.8735 -36.8730 -36.8730 -36.5944 -36.5944 -36.5937 -36.5937 -36.5755 -36.5755 -36.5750 -36.5750 -7.1546 -7.1546 -5.5321 -5.5321 -4.9484 -4.9484 -4.9467 -4.9467 -2.3731 -2.3731 -0.5280 -0.5280 1.4628 1.4628 1.5011 1.5011 1.7168 1.7168 2.0515 2.0515 2.6918 2.6918 3.4957 3.4957 3.5593 3.5593 3.8772 3.8772 4.5347 4.5347 4.6659 4.6659 7.0724 7.0724 7.5187 7.5187 7.6118 7.6118 7.8914 7.8914 7.9045 7.9045 k = 0.2586 0.1956 0.0000 ( 9413 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8735 -36.8735 -36.8730 -36.8730 -36.5944 -36.5944 -36.5937 -36.5937 -36.5754 -36.5754 -36.5750 -36.5750 -7.1245 -7.1245 -5.6011 -5.6011 -4.9508 -4.9508 -4.9492 -4.9492 -2.2967 -2.2967 -0.5753 -0.5753 1.4951 1.4951 1.5347 1.5347 1.7196 1.7196 2.1110 2.1110 2.7345 2.7345 3.4988 3.4988 3.5576 3.5576 3.7735 3.7735 4.5056 4.5056 4.6309 4.6309 7.1566 7.1566 7.4501 7.4501 7.5996 7.5996 7.7851 7.7851 7.7982 7.7982 k = 0.2759 0.2086 0.0000 ( 9409 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8735 -36.8735 -36.8730 -36.8730 -36.5943 -36.5943 -36.5937 -36.5937 -36.5754 -36.5754 -36.5750 -36.5750 -7.0924 -7.0924 -5.6704 -5.6704 -4.9532 -4.9532 -4.9517 -4.9517 -2.2202 -2.2202 -0.6233 -0.6233 1.5281 1.5281 1.5692 1.5692 1.7265 1.7265 2.1686 2.1686 2.7759 2.7759 3.4970 3.4970 3.5490 3.5490 3.6783 3.6783 4.4817 4.4817 4.5999 4.5999 7.2414 7.2414 7.3795 7.3795 7.5823 7.5823 7.6800 7.6800 7.6924 7.6924 k = 0.2931 0.2217 0.0000 ( 9413 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8735 -36.8735 -36.8730 -36.8730 -36.5943 -36.5943 -36.5937 -36.5937 -36.5754 -36.5754 -36.5750 -36.5750 -7.0584 -7.0584 -5.7395 -5.7395 -4.9556 -4.9556 -4.9541 -4.9541 -2.1439 -2.1439 -0.6718 -0.6718 1.5614 1.5614 1.6041 1.6041 1.7378 1.7378 2.2232 2.2232 2.8157 2.8157 3.4820 3.4820 3.5283 3.5283 3.6051 3.6051 4.4635 4.4635 4.5734 4.5734 7.3005 7.3005 7.3303 7.3303 7.5573 7.5573 7.5841 7.5841 7.5892 7.5892 k = 0.3103 0.2347 0.0000 ( 9425 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8734 -36.8730 -36.8730 -36.5943 -36.5943 -36.5938 -36.5938 -36.5754 -36.5754 -36.5751 -36.5751 -7.0224 -7.0224 -5.8083 -5.8083 -4.9578 -4.9578 -4.9565 -4.9565 -2.0681 -2.0681 -0.7210 -0.7210 1.5947 1.5947 1.6391 1.6391 1.7535 1.7535 2.2733 2.2734 2.8536 2.8536 3.4293 3.4293 3.5077 3.5077 3.5674 3.5674 4.4512 4.4512 4.5519 4.5519 7.2387 7.2387 7.3800 7.3800 7.4721 7.4721 7.4880 7.4880 7.5722 7.5722 k = 0.3276 0.2478 0.0000 ( 9425 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8734 -36.8730 -36.8730 -36.5943 -36.5943 -36.5938 -36.5938 -36.5754 -36.5754 -36.5751 -36.5751 -6.9845 -6.9845 -5.8766 -5.8766 -4.9600 -4.9600 -4.9588 -4.9588 -1.9930 -1.9930 -0.7707 -0.7707 1.6280 1.6280 1.6738 1.6738 1.7736 1.7736 2.3172 2.3172 2.8893 2.8893 3.3540 3.3540 3.4940 3.4940 3.5448 3.5448 4.4446 4.4446 4.5356 4.5356 7.1753 7.1753 7.3714 7.3714 7.3818 7.3818 7.3980 7.3980 7.6222 7.6222 k = 0.3448 0.2608 0.0000 ( 9421 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8734 -36.8731 -36.8731 -36.5943 -36.5943 -36.5938 -36.5938 -36.5754 -36.5754 -36.5751 -36.5751 -6.9447 -6.9447 -5.9443 -5.9443 -4.9620 -4.9620 -4.9609 -4.9609 -1.9189 -1.9189 -0.8210 -0.8210 1.6610 1.6610 1.7077 1.7077 1.7976 1.7976 2.3528 2.3528 2.9225 2.9225 3.2796 3.2796 3.4799 3.4799 3.5238 3.5238 4.4435 4.4435 4.5244 4.5244 7.1167 7.1167 7.2850 7.2850 7.2970 7.2970 7.3515 7.3515 7.7089 7.7089 k = 0.3621 0.2738-0.0000 ( 9413 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8734 -36.8731 -36.8731 -36.5942 -36.5942 -36.5939 -36.5939 -36.5754 -36.5754 -36.5751 -36.5751 -6.9030 -6.9030 -6.0112 -6.0112 -4.9639 -4.9639 -4.9629 -4.9629 -1.8458 -1.8458 -0.8720 -0.8720 1.6938 1.6938 1.7405 1.7405 1.8250 1.8250 2.3776 2.3776 2.9527 2.9527 3.2136 3.2136 3.4639 3.4639 3.5020 3.5020 4.4469 4.4469 4.5177 4.5177 7.0640 7.0640 7.2008 7.2008 7.2119 7.2119 7.3000 7.3000 7.8096 7.8096 k = 0.3793 0.2869 0.0000 ( 9401 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8734 -36.8731 -36.8731 -36.5942 -36.5942 -36.5939 -36.5939 -36.5753 -36.5753 -36.5751 -36.5751 -6.8595 -6.8595 -6.0772 -6.0772 -4.9656 -4.9656 -4.9648 -4.9648 -1.7741 -1.7741 -0.9238 -0.9238 1.7264 1.7264 1.7714 1.7714 1.8553 1.8553 2.3893 2.3893 2.9796 2.9796 3.1596 3.1596 3.4465 3.4465 3.4793 3.4793 4.4541 4.4541 4.5149 4.5149 7.0180 7.0180 7.1236 7.1236 7.1334 7.1334 7.2435 7.2435 7.9163 7.9163 k = 0.3966 0.2999 0.0000 ( 9413 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8734 -36.8731 -36.8731 -36.5942 -36.5942 -36.5939 -36.5939 -36.5753 -36.5753 -36.5751 -36.5751 -6.8141 -6.8141 -6.1422 -6.1422 -4.9671 -4.9671 -4.9664 -4.9664 -1.7037 -1.7037 -0.9763 -0.9763 1.7583 1.7583 1.7999 1.7999 1.8882 1.8882 2.3862 2.3862 3.0029 3.0029 3.1195 3.1195 3.4285 3.4285 3.4565 3.4565 4.4638 4.4638 4.5151 4.5151 6.9793 6.9793 7.0548 7.0548 7.0628 7.0628 7.1860 7.1860 8.0263 8.0263 k = 0.4138 0.3130 0.0000 ( 9449 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8734 -36.8732 -36.8732 -36.5942 -36.5942 -36.5939 -36.5939 -36.5753 -36.5753 -36.5752 -36.5752 -6.7669 -6.7669 -6.2060 -6.2060 -4.9684 -4.9684 -4.9678 -4.9678 -1.6349 -1.6349 -1.0298 -1.0298 1.7887 1.7887 1.8253 1.8253 1.9236 1.9236 2.3683 2.3683 3.0222 3.0222 3.0933 3.0933 3.4110 3.4110 3.4344 3.4344 4.4750 4.4750 4.5170 4.5170 6.9478 6.9478 6.9958 6.9958 7.0008 7.0008 7.1303 7.1303 8.1379 8.1379 k = 0.4310 0.3260-0.0000 ( 9445 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5942 -36.5942 -36.5940 -36.5940 -36.5753 -36.5753 -36.5752 -36.5752 -6.7180 -6.7180 -6.2687 -6.2687 -4.9695 -4.9695 -4.9690 -4.9690 -1.5676 -1.5676 -1.0842 -1.0842 1.8167 1.8167 1.8467 1.8467 1.9619 1.9619 2.3374 2.3374 3.0376 3.0376 3.0790 3.0790 3.3952 3.3952 3.4142 3.4142 4.4866 4.4866 4.5198 4.5198 6.9217 6.9217 6.9485 6.9485 6.9498 6.9498 7.0784 7.0784 8.2500 8.2500 k = 0.4483 0.3390-0.0000 ( 9445 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5942 -36.5942 -36.5940 -36.5940 -36.5753 -36.5753 -36.5752 -36.5752 -6.6674 -6.6674 -6.3300 -6.3300 -4.9703 -4.9703 -4.9700 -4.9700 -1.5019 -1.5019 -1.1398 -1.1398 1.8408 1.8408 1.8635 1.8635 2.0035 2.0035 2.2966 2.2966 3.0491 3.0491 3.0731 3.0731 3.3823 3.3823 3.3967 3.3967 4.4976 4.4976 4.5223 4.5223 6.8944 6.8944 6.9066 6.9066 6.9245 6.9245 7.0320 7.0320 8.3618 8.3618 k = 0.4655 0.3521 0.0000 ( 9442 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5753 -36.5753 -36.5752 -36.5752 -6.6151 -6.6151 -6.3900 -6.3900 -4.9709 -4.9709 -4.9707 -4.9707 -1.4378 -1.4378 -1.1966 -1.1966 1.8599 1.8599 1.8750 1.8750 2.0485 2.0485 2.2493 2.2493 3.0575 3.0575 3.0714 3.0714 3.3731 3.3731 3.3828 3.3828 4.5073 4.5073 4.5236 4.5236 6.8691 6.8691 6.8756 6.8756 6.9177 6.9177 6.9923 6.9923 8.4722 8.4722 k = 0.4828 0.3651 0.0000 ( 9430 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5753 -36.5753 -36.5752 -36.5752 -6.5612 -6.5612 -6.4485 -6.4485 -4.9712 -4.9712 -4.9711 -4.9711 -1.3752 -1.3752 -1.2547 -1.2547 1.8731 1.8731 1.8806 1.8806 2.0967 2.0967 2.1987 2.1987 3.0637 3.0637 3.0703 3.0703 3.3683 3.3683 3.3732 3.3732 4.5150 4.5150 4.5231 4.5231 6.8532 6.8532 6.8563 6.8563 6.9224 6.9224 6.9603 6.9603 8.5806 8.5806 k = 0.5000 0.3781 0.0000 ( 9454 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8733 -36.8733 -36.5941 -36.5941 -36.5941 -36.5941 -36.5753 -36.5753 -36.5752 -36.5752 -6.5056 -6.5056 -6.5056 -6.5056 -4.9713 -4.9713 -4.9713 -4.9713 -1.3142 -1.3142 -1.3142 -1.3142 1.8801 1.8801 1.8801 1.8801 2.1472 2.1472 2.1472 2.1472 3.0680 3.0680 3.0680 3.0680 3.3683 3.3683 3.3683 3.3683 4.5203 4.5203 4.5203 4.5203 6.8488 6.8488 6.8488 6.8488 6.9368 6.9368 6.9368 6.9368 8.6858 8.6858 k = 0.5000 0.3781 0.0000 ( 9454 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8733 -36.8733 -36.5941 -36.5941 -36.5941 -36.5941 -36.5753 -36.5753 -36.5752 -36.5752 -6.5056 -6.5056 -6.5056 -6.5056 -4.9713 -4.9713 -4.9713 -4.9713 -1.3142 -1.3142 -1.3142 -1.3142 1.8801 1.8801 1.8801 1.8801 2.1472 2.1472 2.1472 2.1472 3.0680 3.0680 3.0680 3.0680 3.3683 3.3683 3.3683 3.3683 4.5203 4.5203 4.5203 4.5203 6.8488 6.8488 6.8488 6.8488 6.9368 6.9368 6.9368 6.9368 8.6858 8.6858 k = 0.4911 0.3899 0.0148 ( 9454 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8733 -36.8733 -36.5941 -36.5941 -36.5941 -36.5941 -36.5753 -36.5753 -36.5752 -36.5752 -6.5056 -6.5056 -6.5048 -6.5047 -4.9731 -4.9730 -4.9712 -4.9711 -1.3158 -1.3144 -1.3115 -1.3112 1.8624 1.8757 1.8810 1.8882 2.1375 2.1445 2.1450 2.1637 3.0539 3.0621 3.0670 3.0755 3.3644 3.3645 3.3796 3.3814 4.5167 4.5176 4.5198 4.5239 6.8207 6.8345 6.8526 6.8534 6.9408 6.9423 6.9544 6.9695 8.6870 8.6877 k = 0.4821 0.4018 0.0296 ( 9452 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8733 -36.8733 -36.5941 -36.5941 -36.5941 -36.5941 -36.5753 -36.5753 -36.5752 -36.5752 -6.5056 -6.5055 -6.5022 -6.5021 -4.9783 -4.9782 -4.9708 -4.9705 -1.3191 -1.3163 -1.3030 -1.3024 1.8379 1.8674 1.8788 1.8859 2.1269 2.1351 2.1474 2.1860 3.0289 3.0438 3.0659 3.0828 3.3628 3.3639 3.4030 3.4062 4.5070 4.5089 4.5221 4.5303 6.7819 6.7978 6.8642 6.8660 6.9553 6.9580 7.0018 7.0206 8.6924 8.6944 k = 0.4732 0.4136 0.0444 ( 9442 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5941 -36.5941 -36.5753 -36.5753 -36.5752 -36.5752 -6.5056 -6.5055 -6.4979 -6.4978 -4.9868 -4.9867 -4.9700 -4.9697 -1.3242 -1.3200 -1.2889 -1.2880 1.8091 1.8541 1.8735 1.8754 2.1091 2.1193 2.1602 2.2118 2.9954 3.0150 3.0664 3.0915 3.3612 3.3636 3.4375 3.4408 4.4913 4.4942 4.5275 4.5397 6.7445 6.7602 6.8840 6.8867 6.9796 6.9835 7.0578 7.0779 8.7020 8.7055 k = 0.4643 0.4254 0.0592 ( 9450 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5941 -36.5941 -36.5753 -36.5753 -36.5753 -36.5752 -6.5057 -6.5055 -6.4919 -6.4917 -4.9985 -4.9984 -4.9690 -4.9685 -1.3310 -1.3255 -1.2694 -1.2681 1.7777 1.8349 1.8609 1.8652 2.0854 2.0978 2.1801 2.2394 2.9562 2.9792 3.0689 3.1017 3.3585 3.3622 3.4800 3.4823 4.4699 4.4739 4.5358 4.5518 6.7111 6.7261 6.9115 6.9152 7.0135 7.0184 7.1177 7.1386 8.7158 8.7208 k = 0.4554 0.4372 0.0740 ( 9446 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5941 -36.5941 -36.5753 -36.5753 -36.5752 -36.5752 -6.5058 -6.5056 -6.4842 -6.4839 -5.0130 -5.0129 -4.9676 -4.9670 -1.3396 -1.3328 -1.2447 -1.2431 1.7452 1.8103 1.8444 1.8539 2.0573 2.0716 2.2043 2.2677 2.9132 2.9386 3.0732 3.1135 3.3539 3.3589 3.5281 3.5290 4.4432 4.4485 4.5471 4.5668 6.6827 6.6966 6.9466 6.9514 7.0564 7.0624 7.1803 7.2016 8.7339 8.7402 k = 0.4464 0.4490 0.0888 ( 9438 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5941 -36.5940 -36.5753 -36.5753 -36.5752 -36.5752 -6.5062 -6.5059 -6.4748 -6.4744 -5.0302 -5.0300 -4.9659 -4.9651 -1.3501 -1.3420 -1.2153 -1.2133 1.7123 1.7826 1.8261 1.8398 2.0260 2.0419 2.2308 2.2961 2.8677 2.8949 3.0796 3.1268 3.3465 3.3530 3.5796 3.5801 4.4116 4.4183 4.5613 4.5844 6.6597 6.6724 6.9891 6.9949 7.1080 7.1148 7.2447 7.2663 8.7563 8.7639 k = 0.4375 0.4608 0.1036 ( 9440 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5941 -36.5940 -36.5753 -36.5753 -36.5752 -36.5752 -6.5068 -6.5064 -6.4637 -6.4633 -5.0495 -5.0493 -4.9639 -4.9631 -1.3624 -1.3531 -1.1815 -1.1792 1.6798 1.7536 1.8057 1.8229 1.9924 2.0096 2.2584 2.3239 2.8205 2.8489 3.0880 3.1416 3.3360 3.3439 3.6329 3.6349 4.3755 4.3839 4.5783 4.6044 6.6424 6.6538 7.0384 7.0455 7.1676 7.1751 7.3104 7.3320 8.7831 8.7919 k = 0.4286 0.4726 0.1184 ( 9456 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8733 -36.8732 -36.5941 -36.5941 -36.5941 -36.5940 -36.5753 -36.5753 -36.5752 -36.5752 -6.5079 -6.5074 -6.4509 -6.4504 -5.0707 -5.0705 -4.9617 -4.9607 -1.3766 -1.3662 -1.1439 -1.1410 1.6482 1.7244 1.7833 1.8034 1.9578 1.9760 2.2863 2.3511 2.7721 2.8016 3.0985 3.1578 3.3218 3.3313 3.6884 3.6915 4.3357 4.3458 4.5978 4.6268 6.6310 6.6410 7.0940 7.1026 7.2345 7.2425 7.3769 7.3984 8.8143 8.8242 k = 0.4197 0.4844 0.1332 ( 9450 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5941 -36.5940 -36.5753 -36.5753 -36.5752 -36.5752 -6.5095 -6.5090 -6.4365 -6.4359 -5.0934 -5.0931 -4.9592 -4.9581 -1.3928 -1.3814 -1.1029 -1.0995 1.6180 1.6961 1.7587 1.7816 1.9230 1.9419 2.3141 2.3773 2.7232 2.7533 3.1111 3.1754 3.3037 3.3149 3.7451 3.7492 4.2926 4.3046 4.6198 4.6511 6.6256 6.6340 7.1554 7.1657 7.3078 7.3163 7.4439 7.4652 8.8502 8.8602 k = 0.4107 0.4962 0.1480 ( 9446 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5753 -36.5753 -36.5752 -36.5752 -6.5117 -6.5112 -6.4204 -6.4197 -5.1169 -5.1166 -4.9564 -4.9552 -1.4110 -1.3987 -1.0590 -1.0551 1.5896 1.6690 1.7321 1.7576 1.8890 1.9081 2.3415 2.4023 2.6741 2.7048 3.1257 3.1945 3.2818 3.2945 3.8024 3.8071 4.2469 4.2611 4.6437 4.6771 6.6261 6.6329 7.2217 7.2339 7.3868 7.3956 7.5113 7.5319 8.8905 8.8980 k = 0.4018 0.5080 0.1628 ( 9446 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5753 -36.5753 -36.5752 -36.5752 -6.5148 -6.5142 -6.4026 -6.4019 -5.1410 -5.1406 -4.9534 -4.9521 -1.4313 -1.4181 -1.0129 -1.0084 1.5631 1.6438 1.7037 1.7319 1.8566 1.8755 2.3681 2.4260 2.6254 2.6564 3.1422 3.2150 3.2563 3.2703 3.8596 3.8644 4.1996 4.2158 4.6692 4.7042 6.6323 6.6375 7.2918 7.3062 7.4703 7.4794 7.5793 7.5988 8.9320 8.9350 k = 0.3929 0.5198 0.1776 ( 9436 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5753 -36.5753 -36.5752 -36.5752 -6.5190 -6.5183 -6.3833 -6.3825 -5.1651 -5.1647 -4.9503 -4.9488 -1.4536 -1.4397 -0.9652 -0.9600 1.5389 1.6208 1.6737 1.7046 1.8265 1.8448 2.3935 2.4477 2.5780 2.6088 3.1598 3.2282 3.2369 3.2425 3.9157 3.9199 4.1517 4.1698 4.6959 4.7322 6.6442 6.6476 7.3642 7.3812 7.5571 7.5666 7.6483 7.6660 8.9668 8.9712 k = 0.3840 0.5316 0.1923 ( 9440 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5753 -36.5753 -36.5752 -36.5752 -6.5243 -6.5235 -6.3623 -6.3615 -5.1888 -5.1883 -4.9469 -4.9453 -1.4780 -1.4635 -0.9165 -0.9105 1.5170 1.6003 1.6423 1.6763 1.7995 1.8168 2.4168 2.4646 2.5348 2.5631 3.1714 3.2046 3.2108 3.2608 3.9687 3.9703 4.1067 4.1250 4.7232 4.7603 6.6615 6.6630 7.4370 7.4571 7.6458 7.6558 7.7191 7.7343 9.0003 9.0065 k = 0.3750 0.5434 0.2071 ( 9432 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5942 -36.5941 -36.5940 -36.5939 -36.5753 -36.5753 -36.5752 -36.5752 -6.5309 -6.5301 -6.3398 -6.3389 -5.2117 -5.2111 -4.9434 -4.9417 -1.5045 -1.4895 -0.8674 -0.8605 1.4975 1.5822 1.6099 1.6472 1.7762 1.7921 2.4349 2.4600 2.5128 2.5225 3.1494 3.1762 3.2137 3.2861 3.9984 4.0097 4.0816 4.0905 4.7506 4.7881 6.6834 6.6838 7.5080 7.5314 7.7345 7.7453 7.7933 7.8050 9.0325 9.0405 k = 0.3661 0.5552 0.2219 ( 9426 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8731 -36.5942 -36.5941 -36.5940 -36.5939 -36.5753 -36.5753 -36.5752 -36.5752 -6.5391 -6.5383 -6.3158 -6.3149 -5.2333 -5.2327 -4.9397 -4.9379 -1.5330 -1.5178 -0.8186 -0.8107 1.4802 1.5654 1.5782 1.6178 1.7574 1.7716 2.4240 2.4344 2.5005 2.5220 3.1122 3.1387 3.2372 3.3132 3.9736 4.0024 4.1026 4.1072 4.7774 4.8149 6.7084 6.7108 7.5746 7.6012 7.8213 7.8330 7.8721 7.8801 9.0640 9.0733 k = 0.3572 0.5670 0.2367 ( 9422 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8731 -36.5942 -36.5941 -36.5940 -36.5939 -36.5753 -36.5753 -36.5752 -36.5752 -6.5490 -6.5481 -6.2902 -6.2892 -5.2533 -5.2526 -4.9359 -4.9341 -1.5637 -1.5481 -0.7706 -0.7617 1.4645 1.5381 1.5592 1.5889 1.7435 1.7559 2.3815 2.4048 2.5075 2.5375 3.0711 3.0987 3.2642 3.3419 3.9284 3.9628 4.1454 4.1511 4.8030 4.8402 6.7374 6.7420 7.6345 7.6636 7.9046 7.9168 7.9559 7.9610 9.0957 9.1060 k = 0.3483 0.5788 0.2515 ( 9436 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8733 -36.8732 -36.8731 -36.5942 -36.5941 -36.5940 -36.5939 -36.5753 -36.5753 -36.5752 -36.5752 -6.5607 -6.5597 -6.2632 -6.2622 -5.2713 -5.2705 -4.9320 -4.9301 -1.5963 -1.5806 -0.7241 -0.7141 1.4495 1.5035 1.5500 1.5618 1.7351 1.7456 2.3390 2.3658 2.5240 2.5530 3.0276 3.0567 3.2936 3.3725 3.8800 3.9190 4.1909 4.1960 4.8269 4.8632 6.7700 6.7770 7.6866 7.7170 7.9822 7.9941 8.0445 8.0482 9.1300 9.1406 k = 0.3393 0.5906 0.2663 ( 9468 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8733 -36.8732 -36.8731 -36.5942 -36.5942 -36.5940 -36.5939 -36.5754 -36.5754 -36.5752 -36.5752 -6.5743 -6.5733 -6.2348 -6.2337 -5.2871 -5.2862 -4.9281 -4.9261 -1.6309 -1.6152 -0.6797 -0.6684 1.4335 1.4679 1.5384 1.5449 1.7327 1.7412 2.2978 2.3259 2.5413 2.5671 2.9824 3.0131 3.3248 3.4049 3.8319 3.8757 4.2346 4.2385 4.8482 4.8835 6.8056 6.8150 7.7306 7.7609 8.0505 8.0619 8.1377 8.1413 9.1704 9.1808 k = 0.3304 0.6024 0.2811 ( 9460 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8733 -36.8732 -36.8731 -36.5942 -36.5942 -36.5940 -36.5939 -36.5754 -36.5754 -36.5752 -36.5752 -6.5898 -6.5888 -6.2049 -6.2037 -5.3003 -5.2994 -4.9241 -4.9221 -1.6673 -1.6517 -0.6378 -0.6252 1.4142 1.4319 1.5211 1.5432 1.7364 1.7430 2.2582 2.2868 2.5575 2.5795 2.9360 2.9684 3.3576 3.4392 3.7852 3.8344 4.2750 4.2776 4.8666 4.9004 6.8433 6.8554 7.7672 7.7961 8.1061 8.1176 8.2352 8.2390 9.2206 9.2306 k = 0.3215 0.6142 0.2959 ( 9448 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8733 -36.8732 -36.8731 -36.5942 -36.5942 -36.5940 -36.5939 -36.5754 -36.5754 -36.5752 -36.5752 -6.6073 -6.6063 -6.1737 -6.1725 -5.3110 -5.3100 -4.9201 -4.9180 -1.7056 -1.6901 -0.5988 -0.5849 1.3906 1.3959 1.5113 1.5448 1.7466 1.7512 2.2205 2.2493 2.5716 2.5897 2.8890 2.9232 3.3916 3.4753 3.7407 3.7963 4.3114 4.3124 4.8814 4.9135 6.8826 6.8976 7.7977 7.8240 8.1473 8.1597 8.3356 8.3398 9.2836 9.2932 k = 0.3215 0.6142 0.2959 ( 9448 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8733 -36.8732 -36.8731 -36.5942 -36.5942 -36.5940 -36.5939 -36.5754 -36.5754 -36.5752 -36.5752 -6.6073 -6.6063 -6.1737 -6.1725 -5.3110 -5.3100 -4.9201 -4.9180 -1.7056 -1.6901 -0.5988 -0.5849 1.3906 1.3959 1.5113 1.5448 1.7466 1.7512 2.2205 2.2493 2.5716 2.5897 2.8890 2.9232 3.3916 3.4753 3.7407 3.7963 4.3114 4.3124 4.8814 4.9135 6.8826 6.8976 7.7977 7.8240 8.1473 8.1597 8.3356 8.3398 9.2836 9.2932 k = 0.3026 0.6086 0.3029 ( 9447 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8733 -36.8732 -36.8731 -36.5942 -36.5942 -36.5940 -36.5939 -36.5754 -36.5753 -36.5752 -36.5752 -6.6181 -6.6170 -6.1565 -6.1553 -5.3142 -5.3132 -4.9185 -4.9164 -1.7265 -1.7113 -0.5795 -0.5651 1.3752 1.3784 1.5064 1.5441 1.7547 1.7630 2.2057 2.2345 2.5718 2.5935 2.8650 2.9030 3.4067 3.4917 3.7235 3.7823 4.3257 4.3268 4.8872 4.9178 6.9051 6.9216 7.8105 7.8350 8.1475 8.1597 8.4002 8.4043 9.3193 9.3287 k = 0.2837 0.6030 0.3099 ( 9442 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8733 -36.8732 -36.8731 -36.5942 -36.5942 -36.5939 -36.5939 -36.5754 -36.5753 -36.5752 -36.5752 -6.6320 -6.6310 -6.1362 -6.1350 -5.3149 -5.3139 -4.9176 -4.9154 -1.7520 -1.7372 -0.5572 -0.5425 1.3538 1.3602 1.4985 1.5400 1.7689 1.7823 2.1962 2.2247 2.5613 2.5939 2.8396 2.8858 3.4201 3.5063 3.7121 3.7741 4.3366 4.3389 4.8916 4.9198 6.9347 6.9532 7.8230 7.8451 8.1317 8.1433 8.4824 8.4858 9.3605 9.3698 k = 0.2648 0.5975 0.3168 ( 9441 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8733 -36.8731 -36.8731 -36.5942 -36.5942 -36.5939 -36.5939 -36.5754 -36.5754 -36.5752 -36.5751 -6.6478 -6.6468 -6.1143 -6.1132 -5.3130 -5.3119 -4.9175 -4.9152 -1.7810 -1.7669 -0.5324 -0.5178 1.3294 1.3394 1.4889 1.5334 1.7881 1.8056 2.1918 2.2198 2.5433 2.5870 2.8162 2.8712 3.4320 3.5194 3.7062 3.7712 4.3443 4.3482 4.8936 4.9185 6.9712 6.9920 7.8360 7.8551 8.1125 8.1236 8.5699 8.5724 9.4053 9.4141 k = 0.2459 0.5919 0.3238 ( 9443 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8734 -36.8731 -36.8731 -36.5943 -36.5942 -36.5939 -36.5938 -36.5754 -36.5754 -36.5751 -36.5751 -6.6645 -6.6636 -6.0921 -6.0910 -5.3083 -5.3072 -4.9182 -4.9159 -1.8127 -1.7994 -0.5058 -0.4915 1.3034 1.3163 1.4786 1.5253 1.8104 1.8309 2.1922 2.2192 2.5201 2.5714 2.7973 2.8582 3.4429 3.5313 3.7056 3.7732 4.3488 4.3546 4.8922 4.9134 7.0141 7.0375 7.8503 7.8663 8.0941 8.1047 8.6586 8.6610 9.4480 9.4569 k = 0.2269 0.5864 0.3308 ( 9455 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8734 -36.8731 -36.8731 -36.5943 -36.5942 -36.5939 -36.5939 -36.5754 -36.5754 -36.5751 -36.5751 -6.6814 -6.6806 -6.0705 -6.0695 -5.3008 -5.2995 -4.9200 -4.9177 -1.8461 -1.8337 -0.4780 -0.4641 1.2764 1.2916 1.4681 1.5162 1.8341 1.8571 2.1968 2.2225 2.4939 2.5484 2.7829 2.8456 3.4535 3.5420 3.7102 3.7797 4.3499 4.3580 4.8866 4.9039 7.0630 7.0893 7.8669 7.8805 8.0780 8.0881 8.7475 8.7509 9.4776 9.4928 k = 0.2080 0.5808 0.3378 ( 9452 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8734 -36.8731 -36.8731 -36.5943 -36.5942 -36.5939 -36.5938 -36.5754 -36.5754 -36.5751 -36.5751 -6.6980 -6.6972 -6.0502 -6.0493 -5.2904 -5.2891 -4.9228 -4.9205 -1.8804 -1.8689 -0.4496 -0.4362 1.2494 1.2661 1.4575 1.5062 1.8580 1.8832 2.2049 2.2287 2.4674 2.5207 2.7716 2.8325 3.4644 3.5519 3.7198 3.7904 4.3478 4.3582 4.8757 4.8901 7.1173 7.1466 7.8860 7.8996 8.0647 8.0744 8.8364 8.8414 9.4797 9.4915 k = 0.1891 0.5752 0.3447 ( 9452 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8734 -36.8731 -36.8731 -36.5943 -36.5942 -36.5939 -36.5938 -36.5754 -36.5754 -36.5751 -36.5751 -6.7139 -6.7132 -6.0316 -6.0308 -5.2772 -5.2758 -4.9269 -4.9246 -1.9146 -1.9041 -0.4211 -0.4085 1.2229 1.2405 1.4469 1.4954 1.8813 1.9085 2.2155 2.2367 2.4427 2.4916 2.7614 2.8178 3.4761 3.5613 3.7343 3.8048 4.3427 4.3555 4.8588 4.8722 7.1765 7.2088 7.9075 7.9242 8.0549 8.0643 8.9248 8.9318 9.4584 9.4619 k = 0.1702 0.5697 0.3517 ( 9450 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8734 -36.8731 -36.8731 -36.5943 -36.5942 -36.5939 -36.5938 -36.5754 -36.5754 -36.5751 -36.5751 -6.7287 -6.7281 -6.0151 -6.0144 -5.2615 -5.2600 -4.9323 -4.9300 -1.9480 -1.9386 -0.3931 -0.3813 1.1977 1.2155 1.4364 1.4837 1.9035 1.9325 2.2270 2.2450 2.4222 2.4642 2.7507 2.8010 3.4893 3.5707 3.7529 3.8224 4.3349 4.3498 4.8359 4.8506 7.2400 7.2751 7.9309 7.9527 8.0499 8.0590 9.0115 9.0205 9.4279 9.4289 k = 0.1513 0.5641 0.3587 ( 9451 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8734 -36.8731 -36.8731 -36.5943 -36.5942 -36.5939 -36.5938 -36.5754 -36.5754 -36.5751 -36.5751 -6.7424 -6.7418 -6.0008 -6.0001 -5.2436 -5.2421 -4.9391 -4.9368 -1.9800 -1.9716 -0.3661 -0.3552 1.1742 1.1917 1.4260 1.4713 1.9241 1.9550 2.2374 2.2516 2.4085 2.4418 2.7384 2.7817 3.5041 3.5806 3.7752 3.8427 4.3247 4.3416 4.8079 4.8253 7.3069 7.3446 7.9529 7.9796 8.0542 8.0622 9.0937 9.1049 9.3945 9.3957 k = 0.1324 0.5586 0.3656 ( 9453 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8734 -36.8731 -36.8731 -36.5943 -36.5943 -36.5939 -36.5938 -36.5754 -36.5754 -36.5751 -36.5751 -6.7547 -6.7542 -5.9886 -5.9880 -5.2239 -5.2223 -4.9474 -4.9451 -2.0098 -2.0024 -0.3406 -0.3308 1.1529 1.1696 1.4158 1.4582 1.9433 1.9755 2.2433 2.2547 2.4035 2.4282 2.7238 2.7599 3.5205 3.5910 3.8004 3.8647 4.3127 4.3311 4.7762 4.7968 7.3762 7.4160 7.9684 7.9950 8.0742 8.0801 9.1654 9.1792 9.3614 9.3638 k = 0.1135 0.5530 0.3726 ( 9452 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8734 -36.8734 -36.8731 -36.8731 -36.5943 -36.5943 -36.5939 -36.5938 -36.5754 -36.5754 -36.5751 -36.5751 -6.7655 -6.7651 -5.9784 -5.9779 -5.2029 -5.2011 -4.9572 -4.9549 -2.0368 -2.0305 -0.3171 -0.3084 1.1342 1.1496 1.4062 1.4448 1.9611 1.9940 2.2423 2.2533 2.4074 2.4266 2.7068 2.7356 3.5385 3.6020 3.8276 3.8878 4.2997 4.3189 4.7426 4.7657 7.4466 7.4877 7.9754 7.9989 8.1053 8.1157 9.2094 9.2269 9.3348 9.3410 k = 0.0946 0.5474 0.3796 ( 9451 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8734 -36.8734 -36.8731 -36.8730 -36.5943 -36.5943 -36.5938 -36.5938 -36.5754 -36.5754 -36.5751 -36.5751 -6.7748 -6.7744 -5.9702 -5.9698 -5.1810 -5.1793 -4.9684 -4.9661 -2.0605 -2.0553 -0.2960 -0.2887 1.1182 1.1319 1.3977 1.4314 1.9776 2.0100 2.2356 2.2468 2.4194 2.4368 2.6871 2.7091 3.5573 3.6128 3.8560 3.9106 4.2863 4.3055 4.7090 4.7334 7.5161 7.5576 7.9773 7.9985 8.1428 8.1584 9.1991 9.2154 9.3274 9.3369 k = 0.0756 0.5419 0.3866 ( 9445 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8734 -36.8731 -36.8730 -36.5943 -36.5943 -36.5938 -36.5938 -36.5754 -36.5754 -36.5751 -36.5751 -6.7825 -6.7822 -5.9638 -5.9634 -5.1590 -5.1572 -4.9810 -4.9787 -2.0805 -2.0763 -0.2780 -0.2719 1.1053 1.1168 1.3905 1.4186 1.9930 2.0233 2.2261 2.2369 2.4385 2.4552 2.6649 2.6809 3.5763 3.6226 3.8845 3.9318 4.2737 4.2917 4.6776 4.7015 7.5825 7.6225 7.9777 7.9970 8.1820 8.2004 9.1522 9.1640 9.3180 9.3276 k = 0.0567 0.5363 0.3935 ( 9444 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8734 -36.8731 -36.8730 -36.5943 -36.5943 -36.5938 -36.5938 -36.5754 -36.5754 -36.5751 -36.5751 -6.7884 -6.7882 -5.9589 -5.9587 -5.1377 -5.1359 -4.9944 -4.9923 -2.0963 -2.0932 -0.2632 -0.2586 1.0955 1.1046 1.3852 1.4070 2.0071 2.0333 2.2165 2.2260 2.4626 2.4783 2.6405 2.6515 3.5942 3.6304 3.9115 3.9497 4.2628 4.2782 4.6508 4.6721 7.6426 7.6784 7.9784 7.9955 8.2183 8.2369 9.0987 9.1068 9.3049 9.3124 k = 0.0378 0.5308 0.4005 ( 9439 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8734 -36.8731 -36.8730 -36.5943 -36.5943 -36.5938 -36.5938 -36.5754 -36.5754 -36.5751 -36.5751 -6.7927 -6.7926 -5.9556 -5.9554 -5.1181 -5.1165 -5.0078 -5.0061 -2.1077 -2.1057 -0.2522 -0.2491 1.0890 1.0952 1.3822 1.3970 2.0198 2.0393 2.2087 2.2161 2.4900 2.5040 2.6140 2.6219 3.6101 3.6350 3.9353 3.9624 4.2548 4.2662 4.6311 4.6472 7.6925 7.7204 7.9806 7.9940 8.2484 8.2639 9.0531 9.0582 9.2946 9.2996 k = 0.0189 0.5252 0.4075 ( 9442 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8734 -36.8730 -36.8730 -36.5943 -36.5943 -36.5938 -36.5938 -36.5754 -36.5754 -36.5751 -36.5751 -6.7953 -6.7953 -5.9536 -5.9535 -5.1027 -5.1016 -5.0191 -5.0179 -2.1145 -2.1134 -0.2452 -0.2436 1.0857 1.0889 1.3818 1.3893 2.0302 2.0408 2.2044 2.2086 2.5188 2.5300 2.5864 2.5934 3.6228 3.6355 3.9539 3.9679 4.2508 4.2568 4.6204 4.6291 7.7284 7.7439 7.9843 7.9918 8.2697 8.2786 9.0231 9.0256 9.2887 9.2912 k = 0.0000 0.5196 0.4144 ( 9432 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8734 -36.8730 -36.8730 -36.5943 -36.5943 -36.5938 -36.5938 -36.5754 -36.5754 -36.5751 -36.5751 -6.7962 -6.7962 -5.9529 -5.9529 -5.0959 -5.0959 -5.0235 -5.0235 -2.1164 -2.1164 -0.2423 -0.2423 1.0857 1.0857 1.3842 1.3842 2.0375 2.0375 2.2044 2.2044 2.5429 2.5429 2.5713 2.5713 3.6314 3.6314 3.9652 3.9652 4.2514 4.2514 4.6198 4.6198 7.7464 7.7464 7.9885 7.9885 8.2802 8.2802 9.0135 9.0135 9.2875 9.2875 k = 0.0000 0.5196 0.4144 ( 9432 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8734 -36.8730 -36.8730 -36.5943 -36.5943 -36.5938 -36.5938 -36.5754 -36.5754 -36.5751 -36.5751 -6.7962 -6.7962 -5.9529 -5.9529 -5.0959 -5.0959 -5.0235 -5.0235 -2.1164 -2.1164 -0.2423 -0.2423 1.0857 1.0857 1.3842 1.3842 2.0375 2.0375 2.2044 2.2044 2.5429 2.5429 2.5713 2.5713 3.6314 3.6314 3.9652 3.9652 4.2514 4.2514 4.6198 4.6198 7.7464 7.7464 7.9885 7.9885 8.2802 8.2802 9.0135 9.0135 9.2875 9.2875 k = 0.0089 0.5078 0.4293 ( 9452 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8734 -36.8734 -36.8731 -36.8731 -36.5943 -36.5943 -36.5938 -36.5938 -36.5754 -36.5754 -36.5751 -36.5751 -6.7954 -6.7954 -5.9530 -5.9529 -5.0967 -5.0967 -5.0238 -5.0238 -2.1156 -2.1153 -0.2463 -0.2455 1.0839 1.0856 1.3833 1.3846 2.0344 2.0417 2.1933 2.1978 2.5446 2.5503 2.5801 2.5837 3.6308 3.6346 3.9636 3.9685 4.2520 4.2523 4.6182 4.6218 7.7455 7.7463 7.9800 7.9816 8.2789 8.2805 9.0214 9.0226 9.2836 9.2873 k = 0.0179 0.4960 0.4441 ( 9448 PWs) bands (ev): -69.9302 -69.9302 -69.9301 -69.9301 -36.8734 -36.8734 -36.8731 -36.8730 -36.5943 -36.5943 -36.5938 -36.5938 -36.5754 -36.5754 -36.5751 -36.5751 -6.7932 -6.7930 -5.9533 -5.9531 -5.0993 -5.0991 -5.0247 -5.0246 -2.1131 -2.1123 -0.2574 -0.2559 1.0800 1.0835 1.3820 1.3846 2.0326 2.0469 2.1678 2.1765 2.5561 2.5655 2.6079 2.6137 3.6329 3.6404 3.9637 3.9736 4.2541 4.2547 4.6169 4.6242 7.7437 7.7453 7.9568 7.9601 8.2766 8.2798 9.0453 9.0474 9.2751 9.2827 k = 0.0268 0.4842 0.4589 ( 9448 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8734 -36.8731 -36.8730 -36.5943 -36.5943 -36.5938 -36.5938 -36.5754 -36.5754 -36.5751 -36.5751 -6.7894 -6.7892 -5.9537 -5.9535 -5.1034 -5.1032 -5.0261 -5.0260 -2.1086 -2.1075 -0.2753 -0.2732 1.0738 1.0790 1.3795 1.3834 2.0331 2.0539 2.1346 2.1470 2.5764 2.5885 2.6474 2.6556 3.6375 3.6487 3.9655 3.9804 4.2577 4.2586 4.6161 4.6268 7.7409 7.7432 7.9217 7.9269 8.2735 8.2782 9.0822 9.0846 9.2611 9.2729 k = 0.0357 0.4724 0.4737 ( 9454 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8735 -36.8734 -36.8731 -36.8730 -36.5943 -36.5943 -36.5938 -36.5938 -36.5754 -36.5754 -36.5751 -36.5751 -6.7841 -6.7838 -5.9544 -5.9541 -5.1091 -5.1088 -5.0281 -5.0279 -2.1023 -2.1008 -0.2995 -0.2967 1.0648 1.0716 1.3750 1.3805 2.0365 2.0636 2.0998 2.1155 2.6042 2.6186 2.6932 2.7041 3.6446 3.6594 3.9689 3.9890 4.2628 4.2641 4.6156 4.6297 7.7369 7.7401 7.8778 7.8851 8.2702 8.2762 9.1283 9.1297 9.2405 9.2573 k = 0.0446 0.4606 0.4885 ( 9450 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8735 -36.8734 -36.8731 -36.8730 -36.5943 -36.5943 -36.5938 -36.5938 -36.5754 -36.5754 -36.5751 -36.5751 -6.7772 -6.7769 -5.9554 -5.9550 -5.1161 -5.1157 -5.0307 -5.0304 -2.0942 -2.0923 -0.3293 -0.3259 1.0527 1.0610 1.3676 1.3745 2.0429 2.0687 2.0753 2.0878 2.6383 2.6545 2.7416 2.7556 3.6542 3.6723 3.9740 3.9995 4.2697 4.2711 4.6152 4.6327 7.7315 7.7354 7.8287 7.8383 8.2669 8.2740 9.1737 9.1792 9.2127 9.2394 k = 0.0536 0.4488 0.5033 ( 9450 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8735 -36.8734 -36.8731 -36.8730 -36.5943 -36.5943 -36.5938 -36.5938 -36.5754 -36.5754 -36.5751 -36.5751 -6.7689 -6.7686 -5.9567 -5.9563 -5.1244 -5.1240 -5.0338 -5.0335 -2.0842 -2.0820 -0.3640 -0.3601 1.0372 1.0468 1.3561 1.3643 2.0366 2.0609 2.0614 2.0955 2.6774 2.6952 2.7902 2.8078 3.6659 3.6872 3.9808 4.0117 4.2782 4.2798 4.6149 4.6355 7.7239 7.7280 7.7785 7.7899 8.2640 8.2721 9.1752 9.1796 9.2332 9.2522 k = 0.0625 0.4370 0.5181 ( 9452 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8735 -36.8734 -36.8731 -36.8730 -36.5943 -36.5943 -36.5939 -36.5938 -36.5754 -36.5754 -36.5751 -36.5751 -6.7592 -6.7587 -5.9585 -5.9581 -5.1337 -5.1332 -5.0375 -5.0371 -2.0724 -2.0698 -0.4029 -0.3985 1.0184 1.0290 1.3395 1.3488 2.0195 2.0460 2.0769 2.1171 2.7205 2.7396 2.8375 2.8589 3.6797 3.7040 3.9891 4.0256 4.2886 4.2902 4.6144 4.6380 7.7075 7.7097 7.7395 7.7464 8.2619 8.2709 9.1317 9.1440 9.2838 9.2962 k = 0.0714 0.4252 0.5329 ( 9458 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8735 -36.8734 -36.8731 -36.8730 -36.5943 -36.5943 -36.5939 -36.5938 -36.5754 -36.5754 -36.5751 -36.5751 -6.7479 -6.7474 -5.9610 -5.9604 -5.1439 -5.1434 -5.0418 -5.0413 -2.0588 -2.0559 -0.4453 -0.4405 0.9965 1.0079 1.3172 1.3273 2.0106 2.0395 2.0991 2.1431 2.7669 2.7869 2.8822 2.9078 3.6955 3.7223 3.9991 4.0411 4.3008 4.3022 4.6136 4.6401 7.6627 7.6762 7.7223 7.7246 8.2611 8.2708 9.0815 9.0963 9.3299 9.3402 k = 0.0804 0.4134 0.5477 ( 9464 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8735 -36.8734 -36.8731 -36.8731 -36.5943 -36.5943 -36.5939 -36.5938 -36.5754 -36.5754 -36.5751 -36.5751 -6.7353 -6.7347 -5.9641 -5.9635 -5.1547 -5.1541 -5.0466 -5.0461 -2.0434 -2.0401 -0.4906 -0.4854 0.9719 0.9838 1.2891 1.2997 2.0116 2.0427 2.1260 2.1731 2.8155 2.8361 2.9236 2.9536 3.7131 3.7420 4.0107 4.0582 4.3149 4.3160 4.6123 4.6414 7.6141 7.6327 7.7095 7.7147 8.2619 8.2722 9.0261 9.0420 9.3690 9.3784 k = 0.0893 0.4016 0.5625 ( 9456 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8734 -36.8731 -36.8731 -36.5943 -36.5943 -36.5939 -36.5938 -36.5754 -36.5754 -36.5751 -36.5751 -6.7212 -6.7206 -5.9682 -5.9675 -5.1659 -5.1652 -5.0519 -5.0514 -2.0262 -2.0226 -0.5381 -0.5327 0.9451 0.9573 1.2559 1.2667 2.0224 2.0554 2.1567 2.2063 2.8656 2.8863 2.9610 2.9954 3.7325 3.7631 4.0238 4.0766 4.3309 4.3313 4.6102 4.6418 7.5678 7.5901 7.6979 7.7046 8.2645 8.2754 8.9668 8.9831 9.3966 9.4073 k = 0.0982 0.3898 0.5773 ( 9452 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8734 -36.8731 -36.8731 -36.5943 -36.5942 -36.5939 -36.5938 -36.5754 -36.5754 -36.5751 -36.5751 -6.7057 -6.7051 -5.9733 -5.9725 -5.1771 -5.1765 -5.0578 -5.0573 -2.0072 -2.0033 -0.5874 -0.5817 0.9168 0.9291 1.2186 1.2291 2.0420 2.0768 2.1905 2.2422 2.9164 2.9365 2.9941 3.0329 3.7537 3.7853 4.0386 4.0962 4.3481 4.3487 4.6073 4.6412 7.5254 7.5511 7.6857 7.6935 8.2691 8.2806 8.9049 8.9212 9.3825 9.3893 k = 0.1071 0.3780 0.5921 ( 9448 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8734 -36.8731 -36.8731 -36.5943 -36.5942 -36.5939 -36.5938 -36.5754 -36.5754 -36.5751 -36.5751 -6.6890 -6.6882 -5.9795 -5.9787 -5.1882 -5.1875 -5.0642 -5.0636 -1.9865 -1.9823 -0.6381 -0.6321 0.8876 0.8998 1.1780 1.1882 2.0695 2.1058 2.2267 2.2800 2.9667 2.9851 3.0234 3.0657 3.7768 3.8087 4.0548 4.1169 4.3660 4.3680 4.6032 4.6393 7.4876 7.5165 7.6725 7.6812 8.2759 8.2879 8.8414 8.8574 9.3479 9.3536 k = 0.1161 0.3662 0.6069 ( 9452 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8734 -36.8731 -36.8731 -36.5943 -36.5942 -36.5939 -36.5939 -36.5754 -36.5754 -36.5751 -36.5751 -6.6709 -6.6701 -5.9872 -5.9863 -5.1988 -5.1981 -5.0711 -5.0705 -1.9640 -1.9595 -0.6896 -0.6834 0.8582 0.8701 1.1355 1.1452 2.1036 2.1414 2.2646 2.3192 3.0152 3.0277 3.0517 3.0943 3.8021 3.8333 4.0723 4.1382 4.3848 4.3886 4.5980 4.6362 7.4548 7.4867 7.6582 7.6677 8.2847 8.2974 8.7774 8.7928 9.3150 9.3199 k = 0.1250 0.3544 0.6217 ( 9448 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8734 -36.8731 -36.8731 -36.5943 -36.5942 -36.5939 -36.5939 -36.5753 -36.5753 -36.5751 -36.5751 -6.6516 -6.6508 -5.9963 -5.9954 -5.2087 -5.2079 -5.0786 -5.0779 -1.9399 -1.9351 -0.7418 -0.7354 0.8290 0.8407 1.0919 1.1012 2.1432 2.1824 2.3038 2.3592 3.0547 3.0596 3.0877 3.1196 3.8298 3.8594 4.0912 4.1601 4.4041 4.4099 4.5915 4.6316 7.4272 7.4620 7.6428 7.6528 8.2953 8.3088 8.7137 8.7283 9.2845 9.2874 k = 0.1339 0.3425 0.6365 ( 9444 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8733 -36.8731 -36.8731 -36.5943 -36.5942 -36.5939 -36.5939 -36.5753 -36.5753 -36.5751 -36.5751 -6.6311 -6.6302 -6.0071 -6.0061 -5.2177 -5.2169 -5.0865 -5.0858 -1.9140 -1.9090 -0.7944 -0.7878 0.8007 0.8120 1.0481 1.0569 2.1872 2.2280 2.3436 2.3996 3.0699 3.0955 3.1264 3.1448 3.8604 3.8873 4.1112 4.1824 4.4233 4.4314 4.5837 4.6259 7.4049 7.4423 7.6265 7.6368 8.3073 8.3215 8.6510 8.6648 9.2531 9.2550 k = 0.1429 0.3307 0.6513 ( 9452 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8733 -36.8732 -36.8731 -36.5943 -36.5942 -36.5939 -36.5939 -36.5753 -36.5753 -36.5751 -36.5751 -6.6095 -6.6085 -6.0196 -6.0185 -5.2254 -5.2246 -5.0948 -5.0941 -1.8866 -1.8813 -0.8471 -0.8404 0.7736 0.7845 1.0047 1.0132 2.2347 2.2771 2.3838 2.4400 3.0790 3.1185 3.1612 3.1734 3.8942 3.9173 4.1322 4.2048 4.4418 4.4525 4.5747 4.6189 7.3877 7.4273 7.6094 7.6197 8.3197 8.3348 8.5902 8.6029 9.2123 9.2226 k = 0.1518 0.3189 0.6661 ( 9448 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8733 -36.8732 -36.8731 -36.5942 -36.5942 -36.5940 -36.5939 -36.5753 -36.5753 -36.5751 -36.5751 -6.5867 -6.5857 -6.0338 -6.0327 -5.2319 -5.2311 -5.1035 -5.1028 -1.8575 -1.8520 -0.8997 -0.8929 0.7483 0.7587 0.9624 0.9705 2.2849 2.3291 2.4241 2.4802 3.0834 3.1301 3.1898 3.2028 3.9317 3.9499 4.1539 4.2272 4.4588 4.4721 4.5648 4.6111 7.3754 7.4167 7.5918 7.6016 8.3314 8.3471 8.5320 8.5435 9.1651 9.1840 k = 0.1607 0.3071 0.6809 ( 9436 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8733 -36.8732 -36.8731 -36.5942 -36.5942 -36.5940 -36.5939 -36.5753 -36.5753 -36.5752 -36.5751 -6.5630 -6.5619 -6.0499 -6.0487 -5.2368 -5.2360 -5.1126 -5.1118 -1.8268 -1.8211 -0.9522 -0.9452 0.7251 0.7350 0.9215 0.9294 2.3368 2.3830 2.4642 2.5198 3.0837 3.1345 3.2110 3.2283 3.9727 3.9854 4.1761 4.2494 4.4734 4.4896 4.5543 4.6026 7.3674 7.4100 7.5740 7.5830 8.3408 8.3569 8.4769 8.4872 9.1187 9.1429 k = 0.1696 0.2953 0.6957 ( 9436 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8733 -36.8732 -36.8731 -36.5942 -36.5941 -36.5940 -36.5939 -36.5753 -36.5753 -36.5752 -36.5752 -6.5383 -6.5372 -6.0678 -6.0665 -5.2403 -5.2394 -5.1220 -5.1212 -1.7946 -1.7887 -1.0042 -0.9972 0.7043 0.7136 0.8826 0.8903 2.3895 2.4381 2.5042 2.5586 3.0805 3.1338 3.2244 3.2473 4.0170 4.0239 4.1987 4.2714 4.4845 4.5037 4.5439 4.5939 7.3634 7.4066 7.5563 7.5641 8.3460 8.3622 8.4258 8.4347 9.0809 9.1072 k = 0.1786 0.2835 0.7105 ( 9436 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8734 -36.8733 -36.8732 -36.8731 -36.5942 -36.5941 -36.5940 -36.5939 -36.5753 -36.5753 -36.5752 -36.5752 -6.5128 -6.5116 -6.0874 -6.0861 -5.2421 -5.2413 -5.1316 -5.1308 -1.7609 -1.7548 -1.0558 -1.0487 0.6861 0.6949 0.8459 0.8535 2.4418 2.4936 2.5440 2.5966 3.0745 3.1294 3.2297 3.2585 4.0641 4.0651 4.2214 4.2931 4.4902 4.5136 4.5348 4.5855 7.3628 7.4060 7.5392 7.5452 8.3450 8.3609 8.3794 8.3867 9.0565 9.0830 k = 0.1875 0.2717 0.7253 ( 9424 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8731 -36.5942 -36.5941 -36.5940 -36.5939 -36.5753 -36.5753 -36.5752 -36.5752 -6.4865 -6.4853 -6.1086 -6.1073 -5.2424 -5.2416 -5.1415 -5.1407 -1.7257 -1.7194 -1.1069 -1.0997 0.6709 0.6791 0.8118 0.8192 2.4926 2.5483 2.5839 2.6335 3.0662 3.1222 3.2272 3.2618 4.1086 4.1130 4.2441 4.3144 4.4886 4.5183 4.5286 4.5777 7.3650 7.4075 7.5228 7.5266 8.3322 8.3431 8.3434 8.3531 9.0479 9.0735 k = 0.1964 0.2599 0.7401 ( 9426 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8731 -36.5942 -36.5941 -36.5940 -36.5939 -36.5753 -36.5753 -36.5752 -36.5752 -6.4595 -6.4583 -6.1314 -6.1300 -5.2412 -5.2404 -5.1514 -5.1506 -1.6891 -1.6827 -1.1573 -1.1501 0.6587 0.6664 0.7803 0.7878 2.5402 2.6012 2.6240 2.6692 3.0566 3.1133 3.2175 3.2573 4.1534 4.1627 4.2665 4.3351 4.4803 4.5176 4.5243 4.5704 7.3694 7.4104 7.5075 7.5087 8.2994 8.3062 8.3265 8.3377 9.0551 9.0789 k = 0.2054 0.2481 0.7549 ( 9424 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8731 -36.5942 -36.5941 -36.5940 -36.5939 -36.5753 -36.5753 -36.5752 -36.5752 -6.4320 -6.4307 -6.1555 -6.1541 -5.2385 -5.2377 -5.1614 -5.1605 -1.6512 -1.6446 -1.2070 -1.1998 0.6497 0.6568 0.7518 0.7595 2.5831 2.6508 2.6643 2.7032 3.0466 3.1038 3.2015 3.2459 4.1985 4.2116 4.2887 4.3555 4.4680 4.5124 4.5189 4.5624 7.3754 7.4143 7.4917 7.4937 8.2698 8.2753 8.3080 8.3176 9.0764 9.0981 k = 0.2143 0.2363 0.7697 ( 9418 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8732 -36.8732 -36.8731 -36.5941 -36.5941 -36.5940 -36.5939 -36.5753 -36.5753 -36.5752 -36.5752 -6.4040 -6.4027 -6.1808 -6.1794 -5.2346 -5.2337 -5.1713 -5.1704 -1.6119 -1.6051 -1.2559 -1.2487 0.6441 0.6505 0.7264 0.7343 2.6199 2.6953 2.7037 2.7350 3.0377 3.0953 3.1804 3.2287 4.2426 4.2582 4.3105 4.3755 4.4537 4.5044 4.5103 4.5520 7.3826 7.4187 7.4760 7.4814 8.2466 8.2512 8.2871 8.2951 9.1088 9.1282 k = 0.2232 0.2245 0.7845 ( 9428 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8732 -36.8732 -36.8731 -36.5941 -36.5941 -36.5940 -36.5939 -36.5753 -36.5753 -36.5752 -36.5752 -6.3756 -6.3743 -6.2071 -6.2057 -5.2294 -5.2286 -5.1810 -5.1802 -1.5714 -1.5645 -1.3039 -1.2967 0.6418 0.6475 0.7042 0.7127 2.6501 2.7329 2.7396 2.7631 3.0318 3.0897 3.1557 3.2074 4.2840 4.3005 4.3320 4.3956 4.4383 4.4949 4.4978 4.5381 7.3906 7.4233 7.4615 7.4709 8.2301 8.2342 8.2663 8.2728 9.1488 9.1661 k = 0.2321 0.2127 0.7993 ( 9422 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8732 -36.8732 -36.8731 -36.5941 -36.5941 -36.5940 -36.5939 -36.5752 -36.5752 -36.5752 -36.5752 -6.3471 -6.3458 -6.2342 -6.2328 -5.2232 -5.2224 -5.1905 -5.1897 -1.5296 -1.5226 -1.3510 -1.3439 0.6430 0.6475 0.6855 0.6949 2.6729 2.7626 2.7687 2.7846 3.0310 3.0890 3.1298 3.1844 4.3207 4.3353 4.3529 4.4167 4.4223 4.4819 4.4851 4.5208 7.3990 7.4277 7.4486 7.4624 8.2205 8.2244 8.2475 8.2529 9.1926 9.2079 k = 0.2411 0.2009 0.8141 ( 9416 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8732 -36.8732 -36.8731 -36.5941 -36.5940 -36.5940 -36.5939 -36.5752 -36.5752 -36.5752 -36.5752 -6.3186 -6.3172 -6.2619 -6.2605 -5.2161 -5.2152 -5.1995 -5.1987 -1.4868 -1.4796 -1.3971 -1.3901 0.6473 0.6498 0.6707 0.6820 2.6874 2.7837 2.7876 2.7961 3.0355 3.0931 3.1070 3.1641 4.3501 4.3586 4.3706 4.4077 4.4391 4.4653 4.4758 4.5019 7.4069 7.4314 7.4381 7.4562 8.2178 8.2217 8.2326 8.2371 9.2361 9.2495 k = 0.2500 0.1891 0.8289 ( 9412 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8732 -36.8732 -36.8731 -36.5941 -36.5940 -36.5940 -36.5939 -36.5752 -36.5752 -36.5752 -36.5752 -6.2907 -6.2895 -6.2895 -6.2879 -5.2088 -5.2075 -5.2075 -5.2071 -1.4470 -1.4379 -1.4379 -1.4328 0.6516 0.6516 0.6629 0.6767 2.6923 2.7941 2.7941 2.7970 3.0395 3.0965 3.0965 3.1549 4.3669 4.3669 4.3736 4.4018 4.4567 4.4567 4.4661 4.4916 7.4111 7.4330 7.4330 7.4538 8.2200 8.2244 8.2244 8.2282 9.2693 9.2839 k = 0.2500 0.1891 0.8289 ( 9412 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8732 -36.8732 -36.8731 -36.5941 -36.5940 -36.5940 -36.5939 -36.5752 -36.5752 -36.5752 -36.5752 -6.2907 -6.2895 -6.2895 -6.2879 -5.2088 -5.2075 -5.2075 -5.2071 -1.4470 -1.4379 -1.4379 -1.4328 0.6516 0.6516 0.6629 0.6767 2.6923 2.7941 2.7941 2.7970 3.0395 3.0965 3.0965 3.1549 4.3669 4.3669 4.3736 4.4018 4.4567 4.4567 4.4661 4.4916 7.4111 7.4330 7.4330 7.4538 8.2200 8.2244 8.2244 8.2282 9.2693 9.2839 k = 0.2632 0.1990 0.8164 ( 9420 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8732 -36.8732 -36.8731 -36.5941 -36.5941 -36.5940 -36.5939 -36.5752 -36.5752 -36.5752 -36.5752 -6.3063 -6.3050 -6.2740 -6.2727 -5.2129 -5.2120 -5.2031 -5.2024 -1.4688 -1.4616 -1.4162 -1.4095 0.6513 0.6529 0.6675 0.6801 2.6831 2.7738 2.7820 2.7886 3.0449 3.0993 3.1155 3.1668 4.3522 4.3644 4.3807 4.4006 4.4448 4.4667 4.4744 4.4986 7.4047 7.4278 7.4323 7.4516 8.2202 8.2247 8.2313 8.2360 9.2496 9.2633 k = 0.2763 0.2090 0.8039 ( 9424 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8732 -36.8732 -36.8731 -36.5941 -36.5941 -36.5940 -36.5940 -36.5752 -36.5752 -36.5752 -36.5752 -6.3210 -6.3198 -6.2596 -6.2583 -5.2171 -5.2163 -5.1982 -5.1974 -1.4930 -1.4862 -1.3922 -1.3856 0.6539 0.6574 0.6779 0.6892 2.6561 2.7243 2.7524 2.7685 3.0515 3.1022 3.1632 3.2030 4.3342 4.3517 4.3869 4.3949 4.4391 4.4771 4.4903 4.5153 7.3851 7.4106 7.4311 7.4476 8.2243 8.2291 8.2491 8.2545 9.2202 9.2349 k = 0.2895 0.2189 0.7915 ( 9429 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8732 -36.8732 -36.8731 -36.5941 -36.5941 -36.5940 -36.5940 -36.5752 -36.5752 -36.5752 -36.5752 -6.3342 -6.3330 -6.2469 -6.2457 -5.2208 -5.2201 -5.1934 -5.1927 -1.5152 -1.5088 -1.3699 -1.3635 0.6610 0.6658 0.6925 0.7027 2.6129 2.6627 2.7157 2.7373 3.0610 3.1053 3.2197 3.2509 4.3160 4.3366 4.3853 4.3862 4.4430 4.4892 4.5100 4.5365 7.3551 7.3824 7.4284 7.4422 8.2333 8.2384 8.2757 8.2814 9.1888 9.2046 k = 0.3026 0.2289 0.7790 ( 9436 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8731 -36.5941 -36.5941 -36.5940 -36.5940 -36.5752 -36.5752 -36.5752 -36.5752 -6.3459 -6.3448 -6.2361 -6.2349 -5.2241 -5.2234 -5.1891 -5.1884 -1.5350 -1.5288 -1.3496 -1.3434 0.6725 0.6782 0.7105 0.7201 2.5584 2.5962 2.6755 2.6974 3.0744 3.1109 3.2741 3.2997 4.2985 4.3208 4.3762 4.3788 4.4530 4.5016 4.5329 4.5611 7.3178 7.3460 7.4237 7.4352 8.2468 8.2523 8.3095 8.3151 9.1570 9.1739 k = 0.3158 0.2388 0.7665 ( 9435 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8731 -36.5941 -36.5941 -36.5940 -36.5940 -36.5752 -36.5752 -36.5752 -36.5752 -6.3560 -6.3550 -6.2271 -6.2260 -5.2268 -5.2261 -5.1852 -5.1845 -1.5517 -1.5459 -1.3313 -1.3254 0.6879 0.6943 0.7319 0.7409 2.4978 2.5282 2.6320 2.6514 3.0904 3.1191 3.3219 3.3440 4.2822 4.3052 4.3660 4.3705 4.4649 4.5130 4.5591 4.5887 7.2760 7.3045 7.4172 7.4268 8.2642 8.2703 8.3487 8.3541 9.1258 9.1438 k = 0.3289 0.2488 0.7540 ( 9435 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8731 -36.5941 -36.5941 -36.5940 -36.5940 -36.5752 -36.5752 -36.5752 -36.5752 -6.3645 -6.3635 -6.2199 -6.2189 -5.2290 -5.2284 -5.1819 -5.1813 -1.5650 -1.5594 -1.3152 -1.3097 0.7069 0.7137 0.7562 0.7646 2.4346 2.4603 2.5856 2.6015 3.1077 3.1292 3.3609 3.3812 4.2671 4.2899 4.3560 4.3620 4.4763 4.5230 4.5888 4.6190 7.2325 7.2605 7.4094 7.4173 8.2852 8.2917 8.3919 8.3968 9.0958 9.1147 k = 0.3421 0.2587 0.7416 ( 9437 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5753 -36.5752 -36.5752 -36.5752 -6.3713 -6.3704 -6.2148 -6.2138 -5.2307 -5.2301 -5.1795 -5.1789 -1.5743 -1.5691 -1.3014 -1.2962 0.7289 0.7361 0.7832 0.7910 2.3713 2.3939 2.5371 2.5494 3.1252 3.1401 3.3904 3.4100 4.2531 4.2753 4.3463 4.3536 4.4863 4.5311 4.6212 4.6507 7.1899 7.2167 7.4007 7.4072 8.3090 8.3160 8.4374 8.4418 9.0673 9.0872 k = 0.3553 0.2687 0.7291 ( 9421 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8731 -36.5941 -36.5941 -36.5940 -36.5939 -36.5752 -36.5752 -36.5752 -36.5752 -6.3764 -6.3755 -6.2116 -6.2107 -5.2319 -5.2313 -5.1779 -5.1774 -1.5794 -1.5746 -1.2900 -1.2852 0.7534 0.7609 0.8123 0.8195 2.3094 2.3298 2.4875 2.4963 3.1421 3.1510 3.4103 3.4300 4.2404 4.2614 4.3371 4.3455 4.4944 4.5376 4.6548 4.6825 7.1507 7.1757 7.3916 7.3969 8.3354 8.3427 8.4837 8.4877 9.0406 9.0620 k = 0.3684 0.2786 0.7166 ( 9420 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8731 -36.5941 -36.5941 -36.5940 -36.5939 -36.5752 -36.5752 -36.5752 -36.5752 -6.3797 -6.3790 -6.2103 -6.2096 -5.2324 -5.2319 -5.1773 -5.1768 -1.5801 -1.5755 -1.2809 -1.2766 0.7799 0.7875 0.8429 0.8495 2.2503 2.2692 2.4375 2.4431 3.1578 3.1612 3.4210 3.4414 4.2289 4.2484 4.3283 4.3377 4.5007 4.5425 4.6876 4.7121 7.1173 7.1401 7.3824 7.3867 8.3636 8.3712 8.5294 8.5331 9.0159 9.0393 k = 0.3816 0.2886 0.7041 ( 9423 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8731 -36.5941 -36.5941 -36.5940 -36.5940 -36.5752 -36.5752 -36.5752 -36.5752 -6.3814 -6.3807 -6.2112 -6.2105 -5.2325 -5.2320 -5.1775 -5.1772 -1.5760 -1.5718 -1.2744 -1.2704 0.8078 0.8154 0.8743 0.8803 2.1951 2.2129 2.3883 2.3909 3.1702 3.1718 3.4232 3.4445 4.2186 4.2364 4.3200 4.3301 4.5055 4.5461 4.7169 4.7373 7.0920 7.1120 7.3733 7.3769 8.3933 8.4009 8.5726 8.5762 8.9937 9.0196 k = 0.3947 0.2985 0.6917 ( 9427 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8731 -36.5941 -36.5941 -36.5940 -36.5940 -36.5752 -36.5752 -36.5752 -36.5752 -6.3812 -6.3806 -6.2140 -6.2134 -5.2319 -5.2314 -5.1788 -5.1784 -1.5670 -1.5632 -1.2703 -1.2668 0.8367 0.8441 0.9058 0.9111 2.1451 2.1620 2.3403 2.3404 3.1776 3.1840 3.4176 3.4402 4.2095 4.2256 4.3120 4.3225 4.5093 4.5487 4.7403 4.7560 7.0766 7.0935 7.3647 7.3677 8.4237 8.4311 8.6109 8.6148 8.9749 9.0036 k = 0.4079 0.3085 0.6792 ( 9424 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8731 -36.5941 -36.5941 -36.5940 -36.5940 -36.5752 -36.5752 -36.5752 -36.5752 -6.3793 -6.3788 -6.2190 -6.2185 -5.2307 -5.2303 -5.1808 -5.1806 -1.5532 -1.5498 -1.2688 -1.2657 0.8658 0.8729 0.9363 0.9409 2.1013 2.1176 2.2920 2.2946 3.1833 3.1941 3.4050 3.4289 4.2017 4.2159 4.3042 4.3148 4.5125 4.5507 4.7557 4.7662 7.0726 7.0861 7.3568 7.3592 8.4541 8.4610 8.6415 8.6459 8.9609 8.9925 k = 0.4211 0.3184 0.6667 ( 9419 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8731 -36.5941 -36.5941 -36.5940 -36.5940 -36.5752 -36.5752 -36.5752 -36.5752 -6.3756 -6.3751 -6.2261 -6.2257 -5.2290 -5.2286 -5.1837 -5.1835 -1.5345 -1.5315 -1.2698 -1.2672 0.8947 0.9013 0.9647 0.9686 2.0650 2.0809 2.2464 2.2515 3.1870 3.2019 3.3863 3.4115 4.1952 4.2074 4.2964 4.3068 4.5158 4.5525 4.7616 4.7667 7.0808 7.0909 7.3496 7.3517 8.4836 8.4896 8.6611 8.6658 8.9539 8.9879 k = 0.4342 0.3284 0.6542 ( 9427 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5752 -36.5752 -36.5752 -36.5752 -6.3701 -6.3697 -6.2354 -6.2351 -5.2267 -5.2264 -5.1871 -5.1869 -1.5111 -1.5085 -1.2735 -1.2714 0.9230 0.9289 0.9899 0.9931 2.0373 2.0528 2.2043 2.2116 3.1889 3.2074 3.3621 3.3886 4.1897 4.2000 4.2884 4.2980 4.5197 4.5548 4.7568 4.7570 7.1011 7.1079 7.3432 7.3451 8.5110 8.5157 8.6673 8.6718 8.9553 8.9908 k = 0.4474 0.3383 0.6417 ( 9413 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5752 -36.5752 -36.5752 -36.5752 -6.3627 -6.3624 -6.2469 -6.2466 -5.2239 -5.2235 -5.1909 -5.1908 -1.4832 -1.4811 -1.2798 -1.2781 0.9500 0.9551 1.0110 1.0134 2.0192 2.0345 2.1658 2.1752 3.1889 3.2108 3.3332 3.3608 4.1849 4.1932 4.2800 4.2884 4.5248 4.5578 4.7368 4.7422 7.1325 7.1364 7.3379 7.3395 8.5345 8.5377 8.6599 8.6634 8.9645 9.0003 k = 0.4605 0.3483 0.6293 ( 9412 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5752 -36.5752 -36.5752 -36.5752 -6.3535 -6.3533 -6.2606 -6.2604 -5.2204 -5.2201 -5.1950 -5.1950 -1.4509 -1.4493 -1.2887 -1.2875 0.9755 0.9796 1.0270 1.0287 2.0114 2.0266 2.1315 2.1428 3.1872 3.2119 3.3003 3.3287 4.1802 4.1865 4.2712 4.2780 4.5314 4.5618 4.7082 4.7181 7.1733 7.1749 7.3336 7.3351 8.5522 8.5536 8.6410 8.6435 8.9785 9.0043 k = 0.4737 0.3582 0.6168 ( 9415 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5752 -36.5752 -36.5752 -36.5752 -6.3425 -6.3423 -6.2765 -6.2764 -5.2164 -5.2162 -5.1991 -5.1991 -1.4148 -1.4137 -1.3003 -1.2995 0.9992 1.0021 1.0378 1.0387 2.0140 2.0291 2.1015 2.1144 3.1841 3.2104 3.2644 3.2929 4.1746 4.1789 4.2622 4.2669 4.5393 4.5659 4.6736 4.6867 7.2208 7.2210 7.3306 7.3321 8.5612 8.5615 8.6142 8.6159 8.9940 9.0079 k = 0.4868 0.3682 0.6043 ( 9409 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5752 -36.5752 -36.5752 -36.5752 -6.3297 -6.3296 -6.2946 -6.2946 -5.2119 -5.2117 -5.2031 -5.2030 -1.3752 -1.3747 -1.3144 -1.3140 1.0206 1.0222 1.0437 1.0440 2.0264 2.0406 2.0771 2.0904 3.1794 3.2025 3.2302 3.2542 4.1670 4.1692 4.2530 4.2555 4.5473 4.5663 4.6396 4.6519 7.2705 7.2715 7.3296 7.3309 8.5572 8.5587 8.5841 8.5856 9.0089 9.0139 k = 0.5000 0.3781 0.5918 ( 9424 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5752 -36.5752 -36.5752 -36.5752 -6.3159 -6.3159 -6.3141 -6.3141 -5.2073 -5.2073 -5.2060 -5.2060 -1.3372 -1.3372 -1.3266 -1.3266 1.0365 1.0365 1.0486 1.0486 2.0450 2.0450 2.0733 2.0733 3.1723 3.1723 3.2141 3.2141 4.1562 4.1562 4.2434 4.2434 4.5501 4.5501 4.6220 4.6220 7.3131 7.3131 7.3386 7.3386 8.5387 8.5387 8.5573 8.5573 9.0221 9.0221 k = 0.5000 0.3781 0.5918 ( 9424 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5752 -36.5752 -36.5752 -36.5752 -6.3159 -6.3159 -6.3141 -6.3141 -5.2073 -5.2073 -5.2060 -5.2060 -1.3372 -1.3372 -1.3266 -1.3266 1.0365 1.0365 1.0486 1.0486 2.0450 2.0450 2.0733 2.0733 3.1723 3.1723 3.2141 3.2141 4.1562 4.1562 4.2434 4.2434 4.5501 4.5501 4.6220 4.6220 7.3131 7.3131 7.3386 7.3386 8.5387 8.5387 8.5573 8.5573 9.0221 9.0221 k = 0.5000 0.3781 0.5707 ( 9426 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5752 -36.5752 -36.5752 -36.5752 -6.3211 -6.3211 -6.3194 -6.3193 -5.2052 -5.2052 -5.2039 -5.2039 -1.3160 -1.3160 -1.3050 -1.3050 1.0504 1.0504 1.0652 1.0652 2.0496 2.0496 2.0810 2.0810 3.1309 3.1309 3.1746 3.1746 4.1320 4.1320 4.2228 4.2228 4.5239 4.5239 4.5992 4.5992 7.3537 7.3537 7.3788 7.3788 8.4922 8.4922 8.5100 8.5100 9.0356 9.0356 k = 0.5000 0.3781 0.5496 ( 9422 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5752 -36.5752 -36.5752 -36.5752 -6.3269 -6.3269 -6.3252 -6.3252 -5.2023 -5.2023 -5.2009 -5.2009 -1.2952 -1.2952 -1.2837 -1.2837 1.0659 1.0659 1.0837 1.0837 2.0543 2.0543 2.0889 2.0889 3.0913 3.0913 3.1365 3.1365 4.1061 4.1061 4.1997 4.1997 4.4994 4.4994 4.5770 4.5770 7.3888 7.3888 7.4134 7.4134 8.4435 8.4435 8.4608 8.4608 9.0378 9.0378 k = 0.5000 0.3781 0.5284 ( 9438 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5753 -36.5752 -36.5752 -36.5752 -6.3333 -6.3333 -6.3317 -6.3317 -5.1983 -5.1983 -5.1970 -5.1970 -1.2753 -1.2753 -1.2634 -1.2634 1.0831 1.0831 1.1042 1.1042 2.0590 2.0590 2.0969 2.0969 3.0541 3.0541 3.1003 3.1003 4.0786 4.0786 4.1739 4.1739 4.4773 4.4773 4.5560 4.5560 7.4161 7.4161 7.4398 7.4398 8.3956 8.3956 8.4134 8.4134 9.0265 9.0265 k = 0.5000 0.3781 0.5073 ( 9436 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5753 -36.5752 -36.5752 -36.5752 -6.3403 -6.3403 -6.3387 -6.3387 -5.1934 -5.1934 -5.1921 -5.1921 -1.2567 -1.2567 -1.2444 -1.2444 1.1023 1.1023 1.1268 1.1268 2.0638 2.0638 2.1050 2.1050 3.0197 3.0197 3.0666 3.0666 4.0496 4.0496 4.1456 4.1456 4.4579 4.4579 4.5364 4.5364 7.4328 7.4328 7.4556 7.4556 8.3503 8.3503 8.3705 8.3705 9.0026 9.0026 k = 0.5000 0.3781 0.4862 ( 9440 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5753 -36.5752 -36.5752 -36.5752 -6.3478 -6.3478 -6.3463 -6.3463 -5.1875 -5.1875 -5.1861 -5.1861 -1.2398 -1.2398 -1.2272 -1.2272 1.1235 1.1235 1.1516 1.1516 2.0685 2.0685 2.1130 2.1130 2.9886 2.9886 3.0356 3.0356 4.0194 4.0194 4.1151 4.1151 4.4413 4.4413 4.5185 4.5185 7.4370 7.4370 7.4588 7.4588 8.3087 8.3087 8.3329 8.3329 8.9692 8.9692 k = 0.5000 0.3781 0.4650 ( 9454 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5753 -36.5753 -36.5753 -36.5752 -6.3558 -6.3558 -6.3543 -6.3543 -5.1805 -5.1805 -5.1791 -5.1791 -1.2250 -1.2250 -1.2120 -1.2120 1.1468 1.1468 1.1788 1.1788 2.0732 2.0732 2.1210 2.1210 2.9610 2.9610 3.0077 3.0077 3.9879 3.9879 4.0826 4.0826 4.4277 4.4277 4.5026 4.5026 7.4275 7.4275 7.4486 7.4486 8.2702 8.2702 8.2995 8.2995 8.9311 8.9311 k = 0.5000 0.3781 0.4439 ( 9456 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5753 -36.5753 -36.5753 -36.5752 -6.3643 -6.3643 -6.3628 -6.3628 -5.1725 -5.1725 -5.1711 -5.1711 -1.2125 -1.2125 -1.1993 -1.1993 1.1723 1.1723 1.2082 1.2082 2.0779 2.0779 2.1290 2.1290 2.9372 2.9372 2.9830 2.9830 3.9556 3.9556 4.0485 4.0485 4.4170 4.4170 4.4889 4.4889 7.4046 7.4046 7.4254 7.4254 8.2328 8.2328 8.2672 8.2672 8.8934 8.8934 k = 0.5000 0.3781 0.4227 ( 9456 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5753 -36.5753 -36.5753 -36.5753 -6.3731 -6.3731 -6.3717 -6.3717 -5.1635 -5.1635 -5.1621 -5.1621 -1.2025 -1.2025 -1.1891 -1.1891 1.2002 1.2002 1.2401 1.2401 2.0826 2.0826 2.1368 2.1368 2.9173 2.9173 2.9616 2.9616 3.9224 3.9224 4.0132 4.0132 4.4090 4.4090 4.4773 4.4773 7.3703 7.3703 7.3908 7.3908 8.1931 8.1931 8.2317 8.2317 8.8609 8.8609 k = 0.5000 0.3781 0.4016 ( 9460 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5753 -36.5753 -36.5753 -36.5753 -6.3823 -6.3823 -6.3809 -6.3809 -5.1535 -5.1535 -5.1522 -5.1522 -1.1953 -1.1953 -1.1818 -1.1818 1.2303 1.2303 1.2743 1.2743 2.0872 2.0872 2.1445 2.1445 2.9012 2.9012 2.9437 2.9437 3.8888 3.8888 3.9770 3.9770 4.4036 4.4036 4.4680 4.4680 7.3268 7.3268 7.3472 7.3472 8.1477 8.1477 8.1890 8.1890 8.8366 8.8366 k = 0.5000 0.3781 0.3805 ( 9472 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5753 -36.5753 -36.5753 -36.5753 -6.3916 -6.3916 -6.3904 -6.3904 -5.1428 -5.1428 -5.1415 -5.1415 -1.1909 -1.1909 -1.1774 -1.1774 1.2627 1.2627 1.3109 1.3109 2.0918 2.0918 2.1520 2.1520 2.8889 2.8889 2.9292 2.9292 3.8547 3.8547 3.9403 3.9403 4.4006 4.4006 4.4610 4.4610 7.2771 7.2771 7.2972 7.2972 8.0946 8.0946 8.1372 8.1372 8.8213 8.8213 k = 0.5000 0.3781 0.3593 ( 9464 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5753 -36.5753 -36.5753 -36.5753 -6.4012 -6.4012 -6.4000 -6.4000 -5.1313 -5.1313 -5.1300 -5.1300 -1.1892 -1.1892 -1.1759 -1.1759 1.2972 1.2972 1.3495 1.3495 2.0964 2.0964 2.1593 2.1593 2.8803 2.8803 2.9181 2.9181 3.8205 3.8205 3.9033 3.9033 4.4000 4.4000 4.4562 4.4562 7.2235 7.2235 7.2432 7.2432 8.0335 8.0335 8.0760 8.0760 8.8138 8.8138 k = 0.5000 0.3781 0.3382 ( 9452 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5753 -36.5753 -36.5753 -36.5753 -6.4107 -6.4107 -6.4096 -6.4096 -5.1192 -5.1192 -5.1180 -5.1180 -1.1903 -1.1903 -1.1771 -1.1771 1.3337 1.3337 1.3901 1.3901 2.1008 2.1008 2.1663 2.1663 2.8750 2.8750 2.9103 2.9103 3.7862 3.7862 3.8662 3.8662 4.4014 4.4014 4.4535 4.4535 7.1681 7.1681 7.1874 7.1874 7.9655 7.9655 8.0070 8.0070 8.8116 8.8116 k = 0.5000 0.3781 0.3171 ( 9464 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5753 -36.5753 -36.5753 -36.5753 -6.4202 -6.4202 -6.4192 -6.4192 -5.1066 -5.1066 -5.1054 -5.1054 -1.1938 -1.1938 -1.1810 -1.1810 1.3720 1.3720 1.4323 1.4323 2.1051 2.1051 2.1731 2.1731 2.8729 2.8729 2.9060 2.9060 3.7520 3.7520 3.8291 3.8291 4.4048 4.4048 4.4529 4.4529 7.1126 7.1126 7.1315 7.1315 7.8922 7.8922 7.9323 7.9323 8.8121 8.8121 k = 0.5000 0.3781 0.2959 ( 9468 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5753 -36.5753 -36.5753 -36.5753 -6.4296 -6.4296 -6.4286 -6.4286 -5.0937 -5.0937 -5.0926 -5.0926 -1.1995 -1.1995 -1.1871 -1.1871 1.4117 1.4117 1.4758 1.4758 2.1092 2.1092 2.1793 2.1793 2.8737 2.8737 2.9050 2.9050 3.7179 3.7179 3.7922 3.7922 4.4099 4.4099 4.4541 4.4541 7.0586 7.0586 7.0770 7.0770 7.8154 7.8154 7.8538 7.8538 8.8130 8.8130 k = 0.5000 0.3781 0.2748 ( 9456 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5753 -36.5753 -36.5753 -36.5753 -6.4388 -6.4388 -6.4379 -6.4379 -5.0807 -5.0807 -5.0796 -5.0796 -1.2072 -1.2072 -1.1953 -1.1953 1.4525 1.4525 1.5201 1.5201 2.1130 2.1130 2.1851 2.1851 2.8771 2.8771 2.9074 2.9074 3.6840 3.6840 3.7554 3.7554 4.4166 4.4166 4.4571 4.4571 7.0072 7.0072 7.0251 7.0251 7.7366 7.7366 7.7732 7.7732 8.8128 8.8128 k = 0.5000 0.3781 0.2536 ( 9450 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5753 -36.5753 -36.5753 -36.5752 -6.4476 -6.4476 -6.4468 -6.4468 -5.0676 -5.0676 -5.0666 -5.0666 -1.2165 -1.2165 -1.2052 -1.2052 1.4940 1.4940 1.5648 1.5648 2.1163 2.1163 2.1900 2.1900 2.8829 2.8829 2.9132 2.9132 3.6504 3.6504 3.7190 3.7190 4.4246 4.4246 4.4615 4.4615 6.9594 6.9594 6.9768 6.9768 7.6570 7.6570 7.6917 7.6917 8.8106 8.8106 k = 0.5000 0.3781 0.2325 ( 9432 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5752 -36.5752 -36.5752 -36.5752 -6.4561 -6.4561 -6.4553 -6.4553 -5.0547 -5.0547 -5.0538 -5.0538 -1.2269 -1.2269 -1.2164 -1.2164 1.5358 1.5358 1.6094 1.6094 2.1191 2.1191 2.1941 2.1941 2.8909 2.8909 2.9222 2.9222 3.6171 3.6171 3.6829 3.6829 4.4336 4.4336 4.4671 4.4671 6.9161 6.9161 6.9331 6.9331 7.5776 7.5776 7.6105 7.6105 8.8060 8.8060 k = 0.5000 0.3781 0.2114 ( 9430 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5752 -36.5752 -36.5752 -36.5752 -6.4641 -6.4641 -6.4634 -6.4634 -5.0422 -5.0422 -5.0413 -5.0413 -1.2382 -1.2382 -1.2284 -1.2284 1.5774 1.5774 1.6532 1.6532 2.1212 2.1212 2.1971 2.1971 2.9012 2.9012 2.9341 2.9341 3.5843 3.5843 3.6472 3.6472 4.4433 4.4433 4.4737 4.4737 6.8780 6.8780 6.8947 6.8947 7.4993 7.4993 7.5304 7.5304 8.7988 8.7988 k = 0.5000 0.3781 0.1902 ( 9426 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5752 -36.5752 -36.5752 -36.5752 -6.4716 -6.4716 -6.4709 -6.4709 -5.0303 -5.0303 -5.0294 -5.0294 -1.2498 -1.2498 -1.2408 -1.2408 1.6184 1.6184 1.6955 1.6955 2.1227 2.1227 2.1988 2.1988 2.9136 2.9136 2.9486 2.9486 3.5519 3.5519 3.6120 3.6120 4.4536 4.4536 4.4809 4.4809 6.8458 6.8458 6.8623 6.8623 7.4225 7.4225 7.4520 7.4520 8.7890 8.7890 k = 0.5000 0.3781 0.1691 ( 9430 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5752 -36.5752 -36.5752 -36.5752 -6.4784 -6.4784 -6.4779 -6.4779 -5.0190 -5.0190 -5.0183 -5.0183 -1.2614 -1.2614 -1.2533 -1.2533 1.6583 1.6583 1.7358 1.7358 2.1234 2.1234 2.1990 2.1990 2.9283 2.9283 2.9652 2.9652 3.5201 3.5201 3.5773 3.5773 4.4640 4.4640 4.4883 4.4883 6.8200 6.8200 6.8363 6.8363 7.3481 7.3481 7.3760 7.3760 8.7768 8.7768 k = 0.5000 0.3781 0.1480 ( 9438 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5753 -36.5752 -36.5752 -36.5752 -6.4846 -6.4846 -6.4841 -6.4841 -5.0086 -5.0086 -5.0079 -5.0079 -1.2726 -1.2726 -1.2655 -1.2655 1.6967 1.6967 1.7733 1.7733 2.1237 2.1237 2.1976 2.1976 2.9449 2.9449 2.9835 2.9835 3.4892 3.4892 3.5433 3.5433 4.4743 4.4743 4.4956 4.4956 6.8010 6.8010 6.8173 6.8173 7.2763 7.2763 7.3028 7.3028 8.7627 8.7627 k = 0.5000 0.3781 0.1268 ( 9442 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5941 -36.5941 -36.5753 -36.5752 -36.5752 -36.5752 -6.4901 -6.4901 -6.4897 -6.4897 -4.9992 -4.9992 -4.9987 -4.9987 -1.2831 -1.2831 -1.2769 -1.2768 1.7330 1.7330 1.8070 1.8070 2.1236 2.1236 2.1946 2.1946 2.9634 2.9634 3.0026 3.0026 3.4596 3.4596 3.5103 3.5103 4.4841 4.4841 4.5025 4.5025 6.7891 6.7891 6.8055 6.8055 7.2079 7.2079 7.2330 7.2330 8.7474 8.7474 k = 0.5000 0.3781 0.1057 ( 9446 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5941 -36.5941 -36.5753 -36.5753 -36.5752 -36.5752 -6.4948 -6.4948 -6.4944 -6.4944 -4.9910 -4.9910 -4.9905 -4.9905 -1.2924 -1.2924 -1.2872 -1.2872 1.7670 1.7670 1.8361 1.8361 2.1238 2.1238 2.1898 2.1898 2.9832 2.9832 3.0219 3.0219 3.4319 3.4319 3.4786 3.4786 4.4932 4.4932 4.5087 4.5087 6.7846 6.7846 6.8010 6.8010 7.1434 7.1434 7.1671 7.1671 8.7317 8.7317 k = 0.5000 0.3781 0.0845 ( 9450 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5941 -36.5941 -36.5753 -36.5753 -36.5752 -36.5752 -6.4987 -6.4987 -6.4984 -6.4984 -4.9841 -4.9841 -4.9837 -4.9837 -1.3004 -1.3004 -1.2962 -1.2962 1.7979 1.7979 1.8594 1.8594 2.1248 2.1248 2.1833 2.1833 3.0037 3.0037 3.0401 3.0401 3.4071 3.4071 3.4487 3.4487 4.5013 4.5013 4.5139 4.5139 6.7874 6.7874 6.8039 6.8039 7.0835 7.0835 7.1057 7.1057 8.7167 8.7167 k = 0.5000 0.3781 0.0634 ( 9446 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5941 -36.5941 -36.5753 -36.5753 -36.5752 -36.5752 -6.5017 -6.5017 -6.5015 -6.5015 -4.9786 -4.9786 -4.9783 -4.9783 -1.3067 -1.3067 -1.3035 -1.3035 1.8254 1.8254 1.8760 1.8760 2.1273 2.1273 2.1754 2.1754 3.0240 3.0240 3.0556 3.0556 3.3866 3.3866 3.4213 3.4213 4.5083 4.5083 4.5177 4.5177 6.7972 6.7972 6.8135 6.8136 7.0290 7.0290 7.0497 7.0497 8.7036 8.7036 k = 0.5000 0.3781 0.0423 ( 9446 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5941 -36.5941 -36.5753 -36.5753 -36.5752 -36.5752 -6.5039 -6.5039 -6.5038 -6.5038 -4.9746 -4.9746 -4.9744 -4.9744 -1.3112 -1.3112 -1.3091 -1.3091 1.8487 1.8487 1.8850 1.8850 2.1319 2.1319 2.1664 2.1664 3.0426 3.0426 3.0665 3.0665 3.3722 3.3722 3.3977 3.3977 4.5138 4.5138 4.5202 4.5202 6.8132 6.8132 6.8288 6.8288 6.9818 6.9818 7.0002 7.0002 8.6935 8.6935 k = 0.5000 0.3781 0.0211 ( 9454 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8733 -36.8733 -36.5941 -36.5941 -36.5941 -36.5941 -36.5753 -36.5753 -36.5752 -36.5752 -6.5052 -6.5052 -6.5051 -6.5051 -4.9722 -4.9722 -4.9721 -4.9721 -1.3137 -1.3137 -1.3127 -1.3127 1.8672 1.8672 1.8862 1.8862 2.1387 2.1387 2.1567 2.1567 3.0580 3.0580 3.0710 3.0710 3.3657 3.3657 3.3795 3.3795 4.5179 4.5179 4.5211 4.5211 6.8331 6.8331 6.8451 6.8451 6.9464 6.9464 6.9598 6.9598 8.6874 8.6874 k = 0.5000 0.3781 0.0000 ( 9454 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8733 -36.8733 -36.5941 -36.5941 -36.5941 -36.5941 -36.5753 -36.5753 -36.5752 -36.5752 -6.5056 -6.5056 -6.5056 -6.5056 -4.9713 -4.9713 -4.9713 -4.9713 -1.3142 -1.3142 -1.3142 -1.3142 1.8801 1.8801 1.8801 1.8801 2.1472 2.1472 2.1472 2.1472 3.0680 3.0680 3.0680 3.0680 3.3683 3.3683 3.3683 3.3683 4.5203 4.5203 4.5203 4.5203 6.8488 6.8488 6.8488 6.8488 6.9368 6.9368 6.9368 6.9368 8.6858 8.6858 k = 0.0000 0.0000 0.8289 ( 9430 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5752 -36.5752 -36.5752 -36.5752 -6.2915 -6.2915 -6.2895 -6.2895 -5.2048 -5.2048 -5.2036 -5.2036 -1.4882 -1.4882 -1.4805 -1.4805 0.9643 0.9643 0.9694 0.9694 2.0164 2.0164 2.0224 2.0224 3.5061 3.5061 3.5235 3.5235 4.2951 4.2951 4.3410 4.3410 4.7649 4.7649 4.7814 4.7814 6.9808 6.9808 7.0059 7.0059 8.4620 8.4620 8.4683 8.4683 8.9977 8.9977 k = 0.0167 0.0126 0.8289 ( 9418 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5752 -36.5752 -36.5752 -36.5752 -6.2915 -6.2914 -6.2896 -6.2895 -5.2049 -5.2047 -5.2037 -5.2037 -1.4881 -1.4874 -1.4802 -1.4798 0.9576 0.9623 0.9639 0.9657 2.0224 2.0250 2.0262 2.0325 3.5025 3.5052 3.5208 3.5219 4.2941 4.2966 4.3407 4.3417 4.7567 4.7662 4.7774 4.7789 6.9834 6.9870 7.0092 7.0113 8.4601 8.4610 8.4665 8.4670 8.9982 8.9993 k = 0.0333 0.0252 0.8289 ( 9404 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8731 -36.5941 -36.5941 -36.5940 -36.5940 -36.5752 -36.5752 -36.5752 -36.5752 -6.2915 -6.2914 -6.2896 -6.2894 -5.2050 -5.2048 -5.2038 -5.2038 -1.4871 -1.4856 -1.4790 -1.4782 0.9426 0.9496 0.9516 0.9532 2.0425 2.0436 2.0475 2.0560 3.4944 3.4998 3.5139 3.5159 4.2936 4.2985 4.3410 4.3429 4.7422 4.7610 4.7670 4.7700 6.9947 7.0016 7.0208 7.0251 8.4553 8.4570 8.4615 8.4625 9.0012 9.0033 k = 0.0500 0.0378 0.8289 ( 9414 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5752 -36.5752 -36.5752 -36.5752 -6.2915 -6.2912 -6.2896 -6.2893 -5.2053 -5.2049 -5.2040 -5.2040 -1.4852 -1.4829 -1.4769 -1.4757 0.9207 0.9280 0.9330 0.9335 2.0735 2.0755 2.0827 2.0915 3.4817 3.4899 3.5027 3.5056 4.2935 4.3009 4.3418 4.3446 4.7218 4.7496 4.7508 4.7551 7.0140 7.0240 7.0405 7.0468 8.4474 8.4499 8.4533 8.4548 9.0067 9.0097 k = 0.0667 0.0504 0.8289 ( 9408 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8731 -36.5941 -36.5941 -36.5940 -36.5940 -36.5752 -36.5752 -36.5752 -36.5752 -6.2914 -6.2911 -6.2896 -6.2891 -5.2056 -5.2051 -5.2043 -5.2042 -1.4825 -1.4795 -1.4740 -1.4724 0.8936 0.9009 0.9071 0.9096 2.1141 2.1196 2.1287 2.1373 3.4643 3.4753 3.4873 3.4906 4.2940 4.3038 4.3433 4.3469 4.6965 4.7295 4.7327 4.7352 7.0408 7.0535 7.0672 7.0755 8.4362 8.4394 8.4416 8.4436 9.0153 9.0190 k = 0.0833 0.0630 0.8289 ( 9416 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8731 -36.5941 -36.5941 -36.5940 -36.5940 -36.5752 -36.5752 -36.5752 -36.5752 -6.2914 -6.2910 -6.2896 -6.2890 -5.2059 -5.2053 -5.2046 -5.2045 -1.4791 -1.4754 -1.4704 -1.4685 0.8632 0.8702 0.8773 0.8818 2.1636 2.1728 2.1835 2.1915 3.4421 3.4559 3.4674 3.4709 4.2950 4.3073 4.3454 4.3497 4.6674 4.7043 4.7111 4.7113 7.0739 7.0890 7.1002 7.1103 8.4215 8.4256 8.4263 8.4289 9.0273 9.0314 k = 0.1000 0.0756 0.8289 ( 9414 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8731 -36.5941 -36.5941 -36.5940 -36.5940 -36.5752 -36.5752 -36.5752 -36.5752 -6.2913 -6.2908 -6.2896 -6.2888 -5.2063 -5.2056 -5.2049 -5.2048 -1.4752 -1.4708 -1.4663 -1.4640 0.8312 0.8376 0.8455 0.8518 2.2198 2.2332 2.2451 2.2523 3.4149 3.4315 3.4431 3.4462 4.2968 4.3115 4.3482 4.3532 4.6358 4.6761 4.6840 4.6865 7.1121 7.1291 7.1381 7.1498 8.4035 8.4076 8.4082 8.4107 9.0430 9.0473 k = 0.1167 0.0882 0.8289 ( 9438 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5752 -36.5752 -36.5752 -36.5752 -6.2912 -6.2907 -6.2896 -6.2887 -5.2067 -5.2059 -5.2053 -5.2052 -1.4710 -1.4658 -1.4619 -1.4592 0.7991 0.8049 0.8133 0.8212 2.2810 2.2991 2.3120 2.3181 3.3827 3.4022 3.4144 3.4165 4.2994 4.3165 4.3520 4.3574 4.6027 4.6461 4.6550 4.6596 7.1541 7.1726 7.1795 7.1928 8.3823 8.3855 8.3875 8.3892 9.0627 9.0670 k = 0.1333 0.1008 0.8289 ( 9434 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5752 -36.5752 -36.5752 -36.5752 -6.2911 -6.2905 -6.2895 -6.2885 -5.2071 -5.2062 -5.2057 -5.2056 -1.4666 -1.4607 -1.4574 -1.4543 0.7681 0.7732 0.7821 0.7914 2.3455 2.3689 2.3825 2.3874 3.3454 3.3678 3.3816 3.3817 4.3031 4.3224 4.3566 4.3623 4.5695 4.6154 4.6252 4.6315 7.1982 7.2178 7.2231 7.2378 8.3585 8.3608 8.3640 8.3649 9.0865 9.0904 k = 0.1500 0.1134 0.8289 ( 9434 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5752 -36.5752 -36.5752 -36.5752 -6.2910 -6.2903 -6.2895 -6.2884 -5.2075 -5.2065 -5.2061 -5.2059 -1.4622 -1.4557 -1.4528 -1.4495 0.7393 0.7437 0.7530 0.7635 2.4115 2.4413 2.4552 2.4587 3.3033 3.3287 3.3418 3.3452 4.3078 4.3292 4.3622 4.3681 4.5373 4.5851 4.5955 4.6034 7.2429 7.2633 7.2671 7.2832 8.3327 8.3341 8.3384 8.3387 9.1142 9.1174 k = 0.1667 0.1260 0.8289 ( 9444 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5752 -36.5752 -36.5752 -36.5752 -6.2909 -6.2902 -6.2894 -6.2883 -5.2079 -5.2068 -5.2064 -5.2063 -1.4581 -1.4510 -1.4486 -1.4449 0.7136 0.7173 0.7270 0.7384 2.4772 2.5148 2.5285 2.5307 3.2566 3.2854 3.2976 3.3059 4.3138 4.3369 4.3689 4.3745 4.5070 4.5560 4.5668 4.5762 7.2863 7.3073 7.3098 7.3271 8.3063 8.3067 8.3116 8.3120 9.1446 9.1455 k = 0.1833 0.1387 0.8289 ( 9438 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8733 -36.8732 -36.8732 -36.5941 -36.5941 -36.5940 -36.5940 -36.5752 -36.5752 -36.5752 -36.5752 -6.2908 -6.2900 -6.2894 -6.2881 -5.2082 -5.2071 -5.2068 -5.2065 -1.4544 -1.4468 -1.4449 -1.4408 0.6917 0.6946 0.7047 0.7170 2.5405 2.5881 2.6008 2.6017 3.2062 3.2388 3.2498 3.2651 4.3213 4.3455 4.3764 4.3812 4.4800 4.5290 4.5397 4.5508 7.3263 7.3477 7.3493 7.3677 8.2802 8.2808 8.2853 8.2864 9.1745 9.1797 k = 0.2000 0.1513 0.8289 ( 9422 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8732 -36.8732 -36.8731 -36.5941 -36.5941 -36.5940 -36.5940 -36.5752 -36.5752 -36.5752 -36.5752 -6.2908 -6.2899 -6.2894 -6.2880 -5.2084 -5.2073 -5.2070 -5.2068 -1.4513 -1.4432 -1.4418 -1.4374 0.6742 0.6764 0.6867 0.6997 2.5984 2.6590 2.6694 2.6697 3.1535 3.1908 3.2002 3.2251 4.3304 4.3546 4.3846 4.3867 4.4582 4.5049 4.5147 4.5281 7.3610 7.3826 7.3835 7.4028 8.2562 8.2579 8.2615 8.2632 9.2057 9.2150 k = 0.2167 0.1639 0.8289 ( 9428 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8732 -36.8732 -36.8731 -36.5941 -36.5941 -36.5940 -36.5940 -36.5752 -36.5752 -36.5752 -36.5752 -6.2907 -6.2897 -6.2894 -6.2880 -5.2086 -5.2074 -5.2072 -5.2070 -1.4489 -1.4405 -1.4395 -1.4349 0.6615 0.6629 0.6736 0.6870 2.6469 2.7240 2.7298 2.7309 3.1017 3.1451 3.1525 3.1897 4.3411 4.3636 4.3873 4.3927 4.4457 4.4851 4.4922 4.5094 7.3880 7.4097 7.4101 7.4302 8.2370 8.2397 8.2422 8.2445 9.2357 9.2469 k = 0.2333 0.1765 0.8289 ( 9424 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8732 -36.8732 -36.8731 -36.5941 -36.5941 -36.5940 -36.5940 -36.5752 -36.5752 -36.5752 -36.5752 -6.2907 -6.2896 -6.2895 -6.2879 -5.2088 -5.2075 -5.2074 -5.2071 -1.4475 -1.4387 -1.4382 -1.4333 0.6539 0.6546 0.6656 0.6793 2.6802 2.7755 2.7755 2.7767 3.0583 3.1095 3.1138 3.1643 4.3535 4.3708 4.3796 4.3992 4.4463 4.4712 4.4726 4.4964 7.4052 7.4270 7.4272 7.4477 8.2244 8.2280 8.2293 8.2324 9.2596 9.2728 k = 0.2500 0.1891 0.8289 ( 9412 PWs) bands (ev): -69.9301 -69.9301 -69.9301 -69.9301 -36.8733 -36.8732 -36.8732 -36.8731 -36.5941 -36.5940 -36.5940 -36.5939 -36.5752 -36.5752 -36.5752 -36.5752 -6.2907 -6.2895 -6.2895 -6.2879 -5.2088 -5.2075 -5.2075 -5.2071 -1.4470 -1.4379 -1.4379 -1.4328 0.6516 0.6516 0.6629 0.6767 2.6923 2.7941 2.7941 2.7970 3.0395 3.0965 3.0965 3.1549 4.3669 4.3669 4.3736 4.4018 4.4567 4.4567 4.4661 4.4916 7.4111 7.4330 7.4330 7.4538 8.2200 8.2244 8.2244 8.2282 9.2693 9.2839 Writing output data file MgSiAs2.save init_run : 2.86s CPU 12.43s WALL ( 1 calls) electrons : 1224.51s CPU 1236.08s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.63s WALL ( 1 calls) potinit : 0.56s CPU 1.51s WALL ( 1 calls) Called by electrons: c_bands : 1224.47s CPU 1235.70s WALL ( 1 calls) v_of_rho : 0.19s CPU 0.78s WALL ( 1 calls) v_h : 0.02s CPU 0.04s WALL ( 1 calls) v_xc : 0.16s CPU 0.63s WALL ( 1 calls) newd : 0.64s CPU 0.68s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.20s WALL ( 272 calls) cegterg : 1145.61s CPU 1153.65s WALL ( 774 calls) Called by sum_band: Called by *egterg: h_psi : 637.15s CPU 647.96s WALL ( 13584 calls) s_psi : 41.76s CPU 42.10s WALL ( 13584 calls) g_psi : 1.59s CPU 1.62s WALL ( 12538 calls) cdiaghg : 310.32s CPU 307.42s WALL ( 12810 calls) cegterg:over : 91.00s CPU 88.30s WALL ( 12538 calls) cegterg:upda : 32.91s CPU 37.09s WALL ( 12538 calls) cegterg:last : 23.99s CPU 24.76s WALL ( 1870 calls) Called by h_psi: h_psi:vloc : 542.44s CPU 549.90s WALL ( 13584 calls) h_psi:vnl : 93.94s CPU 96.47s WALL ( 13584 calls) add_vuspsi : 31.90s CPU 37.28s WALL ( 13584 calls) General routines calbec : 61.98s CPU 59.08s WALL ( 13584 calls) fft : 0.43s CPU 1.63s WALL ( 19 calls) ffts : 0.02s CPU 0.08s WALL ( 4 calls) fftw : 506.61s CPU 509.87s WALL ( 1298484 calls) interpolate : 0.23s CPU 0.35s WALL ( 4 calls) davcio : 0.05s CPU 3.55s WALL ( 544 calls) Parallel routines fft_scatter : 242.52s CPU 243.69s WALL ( 1298507 calls) PWSCF : 21m49.08s CPU 25m50.04s WALL This run was terminated on: 16:58: 2 12Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=