Program PWSCF v.5.1.1 starts on 20Jul2015 at 5:59:59 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: ./CaC2.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 27 15 4 1371 573 87 Max 28 16 5 1380 588 95 Sum 1329 753 215 66027 27869 4357 bravais-lattice index = 14 lattice parameter (alat) = 7.4455 a.u. unit-cell volume = 660.8726 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.445520 celldm(2)= 1.016555 celldm(3)= 1.831334 celldm(4)= 0.266807 celldm(5)= 0.259178 celldm(6)= 0.425103 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.432141 0.920130 0.000000 ) a(3) = ( 0.474642 0.316900 1.740137 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.469652 -0.187232 ) b(2) = ( 0.000000 1.086803 -0.197920 ) b(3) = ( 0.000000 0.000000 0.574668 ) PseudoPot. # 1 for Ca read from file: /home/autes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for C read from file: /home/autes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 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 1073 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 atomic species valence mass pseudopotential Ca 10.00 40.07800 Ca( 1.00) C 4.00 12.01070 C( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class: E 1 i 2 -E -1 -i -2 Cartesian axes number of k points= 311 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.5000000 -0.2348259 -0.0936161), wk = 0.0032154 k( 2) = ( 0.4888889 -0.2296075 -0.0915358), wk = 0.0032154 k( 3) = ( 0.4777778 -0.2243892 -0.0894554), wk = 0.0032154 k( 4) = ( 0.4666667 -0.2191708 -0.0873750), wk = 0.0032154 k( 5) = ( 0.4555556 -0.2139525 -0.0852947), wk = 0.0032154 k( 6) = ( 0.4444444 -0.2087341 -0.0832143), wk = 0.0032154 k( 7) = ( 0.4333333 -0.2035158 -0.0811340), wk = 0.0032154 k( 8) = ( 0.4222222 -0.1982974 -0.0790536), wk = 0.0032154 k( 9) = ( 0.4111111 -0.1930791 -0.0769733), wk = 0.0032154 k( 10) = ( 0.4000000 -0.1878607 -0.0748929), wk = 0.0032154 k( 11) = ( 0.3888889 -0.1826423 -0.0728125), wk = 0.0032154 k( 12) = ( 0.3777778 -0.1774240 -0.0707322), wk = 0.0032154 k( 13) = ( 0.3666667 -0.1722056 -0.0686518), wk = 0.0032154 k( 14) = ( 0.3555556 -0.1669873 -0.0665715), wk = 0.0032154 k( 15) = ( 0.3444444 -0.1617689 -0.0644911), wk = 0.0032154 k( 16) = ( 0.3333333 -0.1565506 -0.0624107), wk = 0.0032154 k( 17) = ( 0.3222222 -0.1513322 -0.0603304), wk = 0.0032154 k( 18) = ( 0.3111111 -0.1461139 -0.0582500), wk = 0.0032154 k( 19) = ( 0.3000000 -0.1408955 -0.0561697), wk = 0.0032154 k( 20) = ( 0.2888889 -0.1356772 -0.0540893), wk = 0.0032154 k( 21) = ( 0.2777778 -0.1304588 -0.0520090), wk = 0.0032154 k( 22) = ( 0.2666667 -0.1252405 -0.0499286), wk = 0.0032154 k( 23) = ( 0.2555556 -0.1200221 -0.0478482), wk = 0.0032154 k( 24) = ( 0.2444444 -0.1148038 -0.0457679), wk = 0.0032154 k( 25) = ( 0.2333333 -0.1095854 -0.0436875), wk = 0.0032154 k( 26) = ( 0.2222222 -0.1043671 -0.0416072), wk = 0.0032154 k( 27) = ( 0.2111111 -0.0991487 -0.0395268), wk = 0.0032154 k( 28) = ( 0.2000000 -0.0939303 -0.0374464), wk = 0.0032154 k( 29) = ( 0.1888889 -0.0887120 -0.0353661), wk = 0.0032154 k( 30) = ( 0.1777778 -0.0834936 -0.0332857), wk = 0.0032154 k( 31) = ( 0.1666667 -0.0782753 -0.0312054), wk = 0.0032154 k( 32) = ( 0.1555556 -0.0730569 -0.0291250), wk = 0.0032154 k( 33) = ( 0.1444444 -0.0678386 -0.0270447), wk = 0.0032154 k( 34) = ( 0.1333333 -0.0626202 -0.0249643), wk = 0.0032154 k( 35) = ( 0.1222222 -0.0574019 -0.0228839), wk = 0.0032154 k( 36) = ( 0.1111111 -0.0521835 -0.0208036), wk = 0.0032154 k( 37) = ( 0.1000000 -0.0469652 -0.0187232), wk = 0.0032154 k( 38) = ( 0.0888889 -0.0417468 -0.0166429), wk = 0.0032154 k( 39) = ( 0.0777778 -0.0365285 -0.0145625), wk = 0.0032154 k( 40) = ( 0.0666667 -0.0313101 -0.0124822), wk = 0.0032154 k( 41) = ( 0.0555556 -0.0260918 -0.0104018), wk = 0.0032154 k( 42) = ( 0.0444444 -0.0208734 -0.0083214), wk = 0.0032154 k( 43) = ( 0.0333333 -0.0156551 -0.0062411), wk = 0.0032154 k( 44) = ( 0.0222222 -0.0104367 -0.0041607), wk = 0.0032154 k( 45) = ( 0.0111111 -0.0052184 -0.0020804), wk = 0.0032154 k( 46) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 47) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 48) = ( 0.0000000 0.0120756 -0.0021991), wk = 0.0032154 k( 49) = ( 0.0000000 0.0241512 -0.0043982), wk = 0.0032154 k( 50) = ( 0.0000000 0.0362268 -0.0065973), wk = 0.0032154 k( 51) = ( 0.0000000 0.0483023 -0.0087964), wk = 0.0032154 k( 52) = ( 0.0000000 0.0603779 -0.0109956), wk = 0.0032154 k( 53) = ( 0.0000000 0.0724535 -0.0131947), wk = 0.0032154 k( 54) = ( 0.0000000 0.0845291 -0.0153938), wk = 0.0032154 k( 55) = ( 0.0000000 0.0966047 -0.0175929), wk = 0.0032154 k( 56) = ( 0.0000000 0.1086803 -0.0197920), wk = 0.0032154 k( 57) = ( 0.0000000 0.1207559 -0.0219911), wk = 0.0032154 k( 58) = ( 0.0000000 0.1328315 -0.0241902), wk = 0.0032154 k( 59) = ( 0.0000000 0.1449070 -0.0263893), wk = 0.0032154 k( 60) = ( 0.0000000 0.1569826 -0.0285884), wk = 0.0032154 k( 61) = ( 0.0000000 0.1690582 -0.0307875), wk = 0.0032154 k( 62) = ( 0.0000000 0.1811338 -0.0329867), wk = 0.0032154 k( 63) = ( 0.0000000 0.1932094 -0.0351858), wk = 0.0032154 k( 64) = ( 0.0000000 0.2052850 -0.0373849), wk = 0.0032154 k( 65) = ( 0.0000000 0.2173606 -0.0395840), wk = 0.0032154 k( 66) = ( 0.0000000 0.2294362 -0.0417831), wk = 0.0032154 k( 67) = ( 0.0000000 0.2415117 -0.0439822), wk = 0.0032154 k( 68) = ( 0.0000000 0.2535873 -0.0461813), wk = 0.0032154 k( 69) = ( 0.0000000 0.2656629 -0.0483804), wk = 0.0032154 k( 70) = ( 0.0000000 0.2777385 -0.0505795), wk = 0.0032154 k( 71) = ( 0.0000000 0.2898141 -0.0527786), wk = 0.0032154 k( 72) = ( 0.0000000 0.3018897 -0.0549778), wk = 0.0032154 k( 73) = ( 0.0000000 0.3139653 -0.0571769), wk = 0.0032154 k( 74) = ( 0.0000000 0.3260409 -0.0593760), wk = 0.0032154 k( 75) = ( 0.0000000 0.3381165 -0.0615751), wk = 0.0032154 k( 76) = ( 0.0000000 0.3501920 -0.0637742), wk = 0.0032154 k( 77) = ( 0.0000000 0.3622676 -0.0659733), wk = 0.0032154 k( 78) = ( 0.0000000 0.3743432 -0.0681724), wk = 0.0032154 k( 79) = ( 0.0000000 0.3864188 -0.0703715), wk = 0.0032154 k( 80) = ( 0.0000000 0.3984944 -0.0725706), wk = 0.0032154 k( 81) = ( 0.0000000 0.4105700 -0.0747697), wk = 0.0032154 k( 82) = ( 0.0000000 0.4226456 -0.0769689), wk = 0.0032154 k( 83) = ( 0.0000000 0.4347212 -0.0791680), wk = 0.0032154 k( 84) = ( 0.0000000 0.4467967 -0.0813671), wk = 0.0032154 k( 85) = ( 0.0000000 0.4588723 -0.0835662), wk = 0.0032154 k( 86) = ( 0.0000000 0.4709479 -0.0857653), wk = 0.0032154 k( 87) = ( 0.0000000 0.4830235 -0.0879644), wk = 0.0032154 k( 88) = ( 0.0000000 0.4950991 -0.0901635), wk = 0.0032154 k( 89) = ( 0.0000000 0.5071747 -0.0923626), wk = 0.0032154 k( 90) = ( 0.0000000 0.5192503 -0.0945617), wk = 0.0032154 k( 91) = ( 0.0000000 0.5313259 -0.0967608), wk = 0.0032154 k( 92) = ( 0.0000000 0.5434014 -0.0989600), wk = 0.0032154 k( 93) = ( 0.5000000 0.3085756 -0.1925761), wk = 0.0032154 k( 94) = ( 0.4900000 0.3024041 -0.1887246), wk = 0.0032154 k( 95) = ( 0.4800000 0.2962325 -0.1848730), wk = 0.0032154 k( 96) = ( 0.4700000 0.2900610 -0.1810215), wk = 0.0032154 k( 97) = ( 0.4600000 0.2838895 -0.1771700), wk = 0.0032154 k( 98) = ( 0.4500000 0.2777180 -0.1733185), wk = 0.0032154 k( 99) = ( 0.4400000 0.2715465 -0.1694669), wk = 0.0032154 k( 100) = ( 0.4300000 0.2653750 -0.1656154), wk = 0.0032154 k( 101) = ( 0.4200000 0.2592035 -0.1617639), wk = 0.0032154 k( 102) = ( 0.4100000 0.2530320 -0.1579124), wk = 0.0032154 k( 103) = ( 0.4000000 0.2468605 -0.1540609), wk = 0.0032154 k( 104) = ( 0.3900000 0.2406889 -0.1502093), wk = 0.0032154 k( 105) = ( 0.3800000 0.2345174 -0.1463578), wk = 0.0032154 k( 106) = ( 0.3700000 0.2283459 -0.1425063), wk = 0.0032154 k( 107) = ( 0.3600000 0.2221744 -0.1386548), wk = 0.0032154 k( 108) = ( 0.3500000 0.2160029 -0.1348033), wk = 0.0032154 k( 109) = ( 0.3400000 0.2098314 -0.1309517), wk = 0.0032154 k( 110) = ( 0.3300000 0.2036599 -0.1271002), wk = 0.0032154 k( 111) = ( 0.3200000 0.1974884 -0.1232487), wk = 0.0032154 k( 112) = ( 0.3100000 0.1913169 -0.1193972), wk = 0.0032154 k( 113) = ( 0.3000000 0.1851453 -0.1155456), wk = 0.0032154 k( 114) = ( 0.2900000 0.1789738 -0.1116941), wk = 0.0032154 k( 115) = ( 0.2800000 0.1728023 -0.1078426), wk = 0.0032154 k( 116) = ( 0.2700000 0.1666308 -0.1039911), wk = 0.0032154 k( 117) = ( 0.2600000 0.1604593 -0.1001396), wk = 0.0032154 k( 118) = ( 0.2500000 0.1542878 -0.0962880), wk = 0.0032154 k( 119) = ( 0.2400000 0.1481163 -0.0924365), wk = 0.0032154 k( 120) = ( 0.2300000 0.1419448 -0.0885850), wk = 0.0032154 k( 121) = ( 0.2200000 0.1357732 -0.0847335), wk = 0.0032154 k( 122) = ( 0.2100000 0.1296017 -0.0808820), wk = 0.0032154 k( 123) = ( 0.2000000 0.1234302 -0.0770304), wk = 0.0032154 k( 124) = ( 0.1900000 0.1172587 -0.0731789), wk = 0.0032154 k( 125) = ( 0.1800000 0.1110872 -0.0693274), wk = 0.0032154 k( 126) = ( 0.1700000 0.1049157 -0.0654759), wk = 0.0032154 k( 127) = ( 0.1600000 0.0987442 -0.0616243), wk = 0.0032154 k( 128) = ( 0.1500000 0.0925727 -0.0577728), wk = 0.0032154 k( 129) = ( 0.1400000 0.0864012 -0.0539213), wk = 0.0032154 k( 130) = ( 0.1300000 0.0802296 -0.0500698), wk = 0.0032154 k( 131) = ( 0.1200000 0.0740581 -0.0462183), wk = 0.0032154 k( 132) = ( 0.1100000 0.0678866 -0.0423667), wk = 0.0032154 k( 133) = ( 0.1000000 0.0617151 -0.0385152), wk = 0.0032154 k( 134) = ( 0.0900000 0.0555436 -0.0346637), wk = 0.0032154 k( 135) = ( 0.0800000 0.0493721 -0.0308122), wk = 0.0032154 k( 136) = ( 0.0700000 0.0432006 -0.0269607), wk = 0.0032154 k( 137) = ( 0.0600000 0.0370291 -0.0231091), wk = 0.0032154 k( 138) = ( 0.0500000 0.0308576 -0.0192576), wk = 0.0032154 k( 139) = ( 0.0400000 0.0246860 -0.0154061), wk = 0.0032154 k( 140) = ( 0.0300000 0.0185145 -0.0115546), wk = 0.0032154 k( 141) = ( 0.0200000 0.0123430 -0.0077030), wk = 0.0032154 k( 142) = ( 0.0100000 0.0061715 -0.0038515), wk = 0.0032154 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 145) = ( 0.0000000 0.0000000 0.0124928), wk = 0.0032154 k( 146) = ( 0.0000000 0.0000000 0.0249855), wk = 0.0032154 k( 147) = ( 0.0000000 0.0000000 0.0374783), wk = 0.0032154 k( 148) = ( 0.0000000 0.0000000 0.0499711), wk = 0.0032154 k( 149) = ( 0.0000000 0.0000000 0.0624639), wk = 0.0032154 k( 150) = ( 0.0000000 0.0000000 0.0749566), wk = 0.0032154 k( 151) = ( 0.0000000 0.0000000 0.0874494), wk = 0.0032154 k( 152) = ( 0.0000000 0.0000000 0.0999422), wk = 0.0032154 k( 153) = ( 0.0000000 0.0000000 0.1124350), wk = 0.0032154 k( 154) = ( 0.0000000 0.0000000 0.1249277), wk = 0.0032154 k( 155) = ( 0.0000000 0.0000000 0.1374205), wk = 0.0032154 k( 156) = ( 0.0000000 0.0000000 0.1499133), wk = 0.0032154 k( 157) = ( 0.0000000 0.0000000 0.1624060), wk = 0.0032154 k( 158) = ( 0.0000000 0.0000000 0.1748988), wk = 0.0032154 k( 159) = ( 0.0000000 0.0000000 0.1873916), wk = 0.0032154 k( 160) = ( 0.0000000 0.0000000 0.1998844), wk = 0.0032154 k( 161) = ( 0.0000000 0.0000000 0.2123771), wk = 0.0032154 k( 162) = ( 0.0000000 0.0000000 0.2248699), wk = 0.0032154 k( 163) = ( 0.0000000 0.0000000 0.2373627), wk = 0.0032154 k( 164) = ( 0.0000000 0.0000000 0.2498555), wk = 0.0032154 k( 165) = ( 0.0000000 0.0000000 0.2623482), wk = 0.0032154 k( 166) = ( 0.0000000 0.0000000 0.2748410), wk = 0.0032154 k( 167) = ( 0.0000000 0.0000000 0.2873338), wk = 0.0032154 k( 168) = ( 0.5000000 -0.2348259 0.1937176), wk = 0.0032154 k( 169) = ( 0.4893617 -0.2298296 0.1895960), wk = 0.0032154 k( 170) = ( 0.4787234 -0.2248333 0.1854743), wk = 0.0032154 k( 171) = ( 0.4680851 -0.2198370 0.1813527), wk = 0.0032154 k( 172) = ( 0.4574468 -0.2148407 0.1772310), wk = 0.0032154 k( 173) = ( 0.4468085 -0.2098444 0.1731094), wk = 0.0032154 k( 174) = ( 0.4361702 -0.2048481 0.1689877), wk = 0.0032154 k( 175) = ( 0.4255319 -0.1998518 0.1648661), wk = 0.0032154 k( 176) = ( 0.4148936 -0.1948555 0.1607444), wk = 0.0032154 k( 177) = ( 0.4042553 -0.1898592 0.1566228), wk = 0.0032154 k( 178) = ( 0.3936170 -0.1848629 0.1525011), wk = 0.0032154 k( 179) = ( 0.3829787 -0.1798666 0.1483795), wk = 0.0032154 k( 180) = ( 0.3723404 -0.1748703 0.1442578), wk = 0.0032154 k( 181) = ( 0.3617021 -0.1698740 0.1401362), wk = 0.0032154 k( 182) = ( 0.3510638 -0.1648777 0.1360145), wk = 0.0032154 k( 183) = ( 0.3404255 -0.1598814 0.1318929), wk = 0.0032154 k( 184) = ( 0.3297872 -0.1548851 0.1277712), wk = 0.0032154 k( 185) = ( 0.3191489 -0.1498889 0.1236496), wk = 0.0032154 k( 186) = ( 0.3085106 -0.1448926 0.1195279), wk = 0.0032154 k( 187) = ( 0.2978723 -0.1398963 0.1154063), wk = 0.0032154 k( 188) = ( 0.2872340 -0.1349000 0.1112846), wk = 0.0032154 k( 189) = ( 0.2765957 -0.1299037 0.1071630), wk = 0.0032154 k( 190) = ( 0.2659574 -0.1249074 0.1030413), wk = 0.0032154 k( 191) = ( 0.2553191 -0.1199111 0.0989197), wk = 0.0032154 k( 192) = ( 0.2446809 -0.1149148 0.0947980), wk = 0.0032154 k( 193) = ( 0.2340425 -0.1099185 0.0906763), wk = 0.0032154 k( 194) = ( 0.2234043 -0.1049222 0.0865547), wk = 0.0032154 k( 195) = ( 0.2127660 -0.0999259 0.0824330), wk = 0.0032154 k( 196) = ( 0.2021277 -0.0949296 0.0783114), wk = 0.0032154 k( 197) = ( 0.1914894 -0.0899333 0.0741897), wk = 0.0032154 k( 198) = ( 0.1808511 -0.0849370 0.0700681), wk = 0.0032154 k( 199) = ( 0.1702128 -0.0799407 0.0659464), wk = 0.0032154 k( 200) = ( 0.1595745 -0.0749444 0.0618248), wk = 0.0032154 k( 201) = ( 0.1489362 -0.0699481 0.0577031), wk = 0.0032154 k( 202) = ( 0.1382979 -0.0649518 0.0535815), wk = 0.0032154 k( 203) = ( 0.1276596 -0.0599555 0.0494598), wk = 0.0032154 k( 204) = ( 0.1170213 -0.0549592 0.0453382), wk = 0.0032154 k( 205) = ( 0.1063830 -0.0499630 0.0412165), wk = 0.0032154 k( 206) = ( 0.0957447 -0.0449667 0.0370949), wk = 0.0032154 k( 207) = ( 0.0851064 -0.0399704 0.0329732), wk = 0.0032154 k( 208) = ( 0.0744681 -0.0349741 0.0288516), wk = 0.0032154 k( 209) = ( 0.0638298 -0.0299778 0.0247299), wk = 0.0032154 k( 210) = ( 0.0531915 -0.0249815 0.0206083), wk = 0.0032154 k( 211) = ( 0.0425532 -0.0199852 0.0164866), wk = 0.0032154 k( 212) = ( 0.0319149 -0.0149889 0.0123650), wk = 0.0032154 k( 213) = ( 0.0212766 -0.0099926 0.0082433), wk = 0.0032154 k( 214) = ( 0.0106383 -0.0049963 0.0041217), wk = 0.0032154 k( 215) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 216) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 217) = ( 0.0000000 0.0118131 0.0040951), wk = 0.0032154 k( 218) = ( 0.0000000 0.0236261 0.0081902), wk = 0.0032154 k( 219) = ( 0.0000000 0.0354392 0.0122853), wk = 0.0032154 k( 220) = ( 0.0000000 0.0472523 0.0163803), wk = 0.0032154 k( 221) = ( 0.0000000 0.0590654 0.0204754), wk = 0.0032154 k( 222) = ( 0.0000000 0.0708784 0.0245705), wk = 0.0032154 k( 223) = ( 0.0000000 0.0826915 0.0286656), wk = 0.0032154 k( 224) = ( 0.0000000 0.0945046 0.0327607), wk = 0.0032154 k( 225) = ( 0.0000000 0.1063177 0.0368557), wk = 0.0032154 k( 226) = ( 0.0000000 0.1181307 0.0409508), wk = 0.0032154 k( 227) = ( 0.0000000 0.1299438 0.0450459), wk = 0.0032154 k( 228) = ( 0.0000000 0.1417569 0.0491410), wk = 0.0032154 k( 229) = ( 0.0000000 0.1535700 0.0532361), wk = 0.0032154 k( 230) = ( 0.0000000 0.1653830 0.0573312), wk = 0.0032154 k( 231) = ( 0.0000000 0.1771961 0.0614262), wk = 0.0032154 k( 232) = ( 0.0000000 0.1890092 0.0655213), wk = 0.0032154 k( 233) = ( 0.0000000 0.2008223 0.0696164), wk = 0.0032154 k( 234) = ( 0.0000000 0.2126353 0.0737115), wk = 0.0032154 k( 235) = ( 0.0000000 0.2244484 0.0778066), wk = 0.0032154 k( 236) = ( 0.0000000 0.2362615 0.0819017), wk = 0.0032154 k( 237) = ( 0.0000000 0.2480746 0.0859967), wk = 0.0032154 k( 238) = ( 0.0000000 0.2598876 0.0900918), wk = 0.0032154 k( 239) = ( 0.0000000 0.2717007 0.0941869), wk = 0.0032154 k( 240) = ( 0.0000000 0.2835138 0.0982820), wk = 0.0032154 k( 241) = ( 0.0000000 0.2953269 0.1023771), wk = 0.0032154 k( 242) = ( 0.0000000 0.3071400 0.1064722), wk = 0.0032154 k( 243) = ( 0.0000000 0.3189530 0.1105672), wk = 0.0032154 k( 244) = ( 0.0000000 0.3307661 0.1146623), wk = 0.0032154 k( 245) = ( 0.0000000 0.3425792 0.1187574), wk = 0.0032154 k( 246) = ( 0.0000000 0.3543922 0.1228525), wk = 0.0032154 k( 247) = ( 0.0000000 0.3662053 0.1269476), wk = 0.0032154 k( 248) = ( 0.0000000 0.3780184 0.1310427), wk = 0.0032154 k( 249) = ( 0.0000000 0.3898315 0.1351377), wk = 0.0032154 k( 250) = ( 0.0000000 0.4016445 0.1392328), wk = 0.0032154 k( 251) = ( 0.0000000 0.4134576 0.1433279), wk = 0.0032154 k( 252) = ( 0.0000000 0.4252707 0.1474230), wk = 0.0032154 k( 253) = ( 0.0000000 0.4370838 0.1515181), wk = 0.0032154 k( 254) = ( 0.0000000 0.4488968 0.1556132), wk = 0.0032154 k( 255) = ( 0.0000000 0.4607099 0.1597082), wk = 0.0032154 k( 256) = ( 0.0000000 0.4725230 0.1638033), wk = 0.0032154 k( 257) = ( 0.0000000 0.4843361 0.1678984), wk = 0.0032154 k( 258) = ( 0.0000000 0.4961491 0.1719935), wk = 0.0032154 k( 259) = ( 0.0000000 0.5079622 0.1760886), wk = 0.0032154 k( 260) = ( 0.0000000 0.5197753 0.1801837), wk = 0.0032154 k( 261) = ( 0.0000000 0.5315884 0.1842787), wk = 0.0032154 k( 262) = ( 0.0000000 0.5434014 0.1883738), wk = 0.0032154 k( 263) = ( 0.5000000 0.3085756 0.0947577), wk = 0.0032154 k( 264) = ( 0.4895833 0.3021469 0.0927836), wk = 0.0032154 k( 265) = ( 0.4791667 0.2957183 0.0908095), wk = 0.0032154 k( 266) = ( 0.4687500 0.2892896 0.0888353), wk = 0.0032154 k( 267) = ( 0.4583333 0.2828609 0.0868612), wk = 0.0032154 k( 268) = ( 0.4479167 0.2764323 0.0848871), wk = 0.0032154 k( 269) = ( 0.4375000 0.2700036 0.0829130), wk = 0.0032154 k( 270) = ( 0.4270833 0.2635750 0.0809389), wk = 0.0032154 k( 271) = ( 0.4166667 0.2571463 0.0789647), wk = 0.0032154 k( 272) = ( 0.4062500 0.2507176 0.0769906), wk = 0.0032154 k( 273) = ( 0.3958333 0.2442890 0.0750165), wk = 0.0032154 k( 274) = ( 0.3854167 0.2378603 0.0730424), wk = 0.0032154 k( 275) = ( 0.3750000 0.2314317 0.0710683), wk = 0.0032154 k( 276) = ( 0.3645833 0.2250030 0.0690942), wk = 0.0032154 k( 277) = ( 0.3541667 0.2185744 0.0671200), wk = 0.0032154 k( 278) = ( 0.3437500 0.2121457 0.0651459), wk = 0.0032154 k( 279) = ( 0.3333333 0.2057170 0.0631718), wk = 0.0032154 k( 280) = ( 0.3229167 0.1992884 0.0611977), wk = 0.0032154 k( 281) = ( 0.3125000 0.1928597 0.0592236), wk = 0.0032154 k( 282) = ( 0.3020833 0.1864311 0.0572494), wk = 0.0032154 k( 283) = ( 0.2916667 0.1800024 0.0552753), wk = 0.0032154 k( 284) = ( 0.2812500 0.1735738 0.0533012), wk = 0.0032154 k( 285) = ( 0.2708333 0.1671451 0.0513271), wk = 0.0032154 k( 286) = ( 0.2604167 0.1607164 0.0493530), wk = 0.0032154 k( 287) = ( 0.2500000 0.1542878 0.0473788), wk = 0.0032154 k( 288) = ( 0.2395833 0.1478591 0.0454047), wk = 0.0032154 k( 289) = ( 0.2291667 0.1414305 0.0434306), wk = 0.0032154 k( 290) = ( 0.2187500 0.1350018 0.0414565), wk = 0.0032154 k( 291) = ( 0.2083333 0.1285732 0.0394824), wk = 0.0032154 k( 292) = ( 0.1979167 0.1221445 0.0375083), wk = 0.0032154 k( 293) = ( 0.1875000 0.1157158 0.0355341), wk = 0.0032154 k( 294) = ( 0.1770833 0.1092872 0.0335600), wk = 0.0032154 k( 295) = ( 0.1666667 0.1028585 0.0315859), wk = 0.0032154 k( 296) = ( 0.1562500 0.0964299 0.0296118), wk = 0.0032154 k( 297) = ( 0.1458333 0.0900012 0.0276377), wk = 0.0032154 k( 298) = ( 0.1354167 0.0835726 0.0256635), wk = 0.0032154 k( 299) = ( 0.1250000 0.0771439 0.0236894), wk = 0.0032154 k( 300) = ( 0.1145833 0.0707152 0.0217153), wk = 0.0032154 k( 301) = ( 0.1041667 0.0642866 0.0197412), wk = 0.0032154 k( 302) = ( 0.0937500 0.0578579 0.0177671), wk = 0.0032154 k( 303) = ( 0.0833333 0.0514293 0.0157929), wk = 0.0032154 k( 304) = ( 0.0729167 0.0450006 0.0138188), wk = 0.0032154 k( 305) = ( 0.0625000 0.0385719 0.0118447), wk = 0.0032154 k( 306) = ( 0.0520833 0.0321433 0.0098706), wk = 0.0032154 k( 307) = ( 0.0416667 0.0257146 0.0078965), wk = 0.0032154 k( 308) = ( 0.0312500 0.0192860 0.0059224), wk = 0.0032154 k( 309) = ( 0.0208333 0.0128573 0.0039482), wk = 0.0032154 k( 310) = ( 0.0104167 0.0064287 0.0019741), wk = 0.0032154 k( 311) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 cryst. coord. k( 1) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0032154 k( 2) = ( 0.4888889 0.0000000 0.0000000), wk = 0.0032154 k( 3) = ( 0.4777778 0.0000000 0.0000000), wk = 0.0032154 k( 4) = ( 0.4666667 0.0000000 0.0000000), wk = 0.0032154 k( 5) = ( 0.4555556 0.0000000 0.0000000), wk = 0.0032154 k( 6) = ( 0.4444444 0.0000000 0.0000000), wk = 0.0032154 k( 7) = ( 0.4333333 0.0000000 0.0000000), wk = 0.0032154 k( 8) = ( 0.4222222 0.0000000 0.0000000), wk = 0.0032154 k( 9) = ( 0.4111111 0.0000000 0.0000000), wk = 0.0032154 k( 10) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0032154 k( 11) = ( 0.3888889 0.0000000 0.0000000), wk = 0.0032154 k( 12) = ( 0.3777778 0.0000000 -0.0000000), wk = 0.0032154 k( 13) = ( 0.3666667 0.0000000 0.0000000), wk = 0.0032154 k( 14) = ( 0.3555556 0.0000000 0.0000000), wk = 0.0032154 k( 15) = ( 0.3444444 0.0000000 0.0000000), wk = 0.0032154 k( 16) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0032154 k( 17) = ( 0.3222222 0.0000000 0.0000000), wk = 0.0032154 k( 18) = ( 0.3111111 0.0000000 -0.0000000), wk = 0.0032154 k( 19) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0032154 k( 20) = ( 0.2888889 0.0000000 -0.0000000), wk = 0.0032154 k( 21) = ( 0.2777778 0.0000000 0.0000000), wk = 0.0032154 k( 22) = ( 0.2666667 0.0000000 0.0000000), wk = 0.0032154 k( 23) = ( 0.2555556 0.0000000 0.0000000), wk = 0.0032154 k( 24) = ( 0.2444444 0.0000000 0.0000000), wk = 0.0032154 k( 25) = ( 0.2333333 0.0000000 0.0000000), wk = 0.0032154 k( 26) = ( 0.2222222 0.0000000 0.0000000), wk = 0.0032154 k( 27) = ( 0.2111111 0.0000000 0.0000000), wk = 0.0032154 k( 28) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0032154 k( 29) = ( 0.1888889 0.0000000 -0.0000000), wk = 0.0032154 k( 30) = ( 0.1777778 0.0000000 0.0000000), wk = 0.0032154 k( 31) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0032154 k( 32) = ( 0.1555556 0.0000000 -0.0000000), wk = 0.0032154 k( 33) = ( 0.1444444 -0.0000000 -0.0000000), wk = 0.0032154 k( 34) = ( 0.1333333 -0.0000000 -0.0000000), wk = 0.0032154 k( 35) = ( 0.1222222 0.0000000 0.0000000), wk = 0.0032154 k( 36) = ( 0.1111111 0.0000000 0.0000000), wk = 0.0032154 k( 37) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0032154 k( 38) = ( 0.0888889 0.0000000 0.0000000), wk = 0.0032154 k( 39) = ( 0.0777778 0.0000000 -0.0000000), wk = 0.0032154 k( 40) = ( 0.0666667 -0.0000000 0.0000000), wk = 0.0032154 k( 41) = ( 0.0555556 0.0000000 0.0000000), wk = 0.0032154 k( 42) = ( 0.0444444 0.0000000 0.0000000), wk = 0.0032154 k( 43) = ( 0.0333333 0.0000000 -0.0000000), wk = 0.0032154 k( 44) = ( 0.0222222 0.0000000 0.0000000), wk = 0.0032154 k( 45) = ( 0.0111111 0.0000000 0.0000000), wk = 0.0032154 k( 46) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 47) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 48) = ( 0.0000000 0.0111111 0.0000000), wk = 0.0032154 k( 49) = ( 0.0000000 0.0222222 0.0000000), wk = 0.0032154 k( 50) = ( 0.0000000 0.0333333 0.0000000), wk = 0.0032154 k( 51) = ( 0.0000000 0.0444444 0.0000000), wk = 0.0032154 k( 52) = ( 0.0000000 0.0555556 0.0000000), wk = 0.0032154 k( 53) = ( 0.0000000 0.0666667 0.0000000), wk = 0.0032154 k( 54) = ( 0.0000000 0.0777778 0.0000000), wk = 0.0032154 k( 55) = ( 0.0000000 0.0888889 -0.0000000), wk = 0.0032154 k( 56) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0032154 k( 57) = ( 0.0000000 0.1111111 0.0000000), wk = 0.0032154 k( 58) = ( 0.0000000 0.1222222 0.0000000), wk = 0.0032154 k( 59) = ( 0.0000000 0.1333333 0.0000000), wk = 0.0032154 k( 60) = ( 0.0000000 0.1444444 0.0000000), wk = 0.0032154 k( 61) = ( 0.0000000 0.1555556 0.0000000), wk = 0.0032154 k( 62) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0032154 k( 63) = ( 0.0000000 0.1777778 -0.0000000), wk = 0.0032154 k( 64) = ( 0.0000000 0.1888889 0.0000000), wk = 0.0032154 k( 65) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0032154 k( 66) = ( 0.0000000 0.2111111 0.0000000), wk = 0.0032154 k( 67) = ( 0.0000000 0.2222222 0.0000000), wk = 0.0032154 k( 68) = ( 0.0000000 0.2333333 0.0000000), wk = 0.0032154 k( 69) = ( 0.0000000 0.2444444 0.0000000), wk = 0.0032154 k( 70) = ( 0.0000000 0.2555556 0.0000000), wk = 0.0032154 k( 71) = ( 0.0000000 0.2666667 0.0000000), wk = 0.0032154 k( 72) = ( 0.0000000 0.2777778 0.0000000), wk = 0.0032154 k( 73) = ( 0.0000000 0.2888889 0.0000000), wk = 0.0032154 k( 74) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0032154 k( 75) = ( 0.0000000 0.3111111 0.0000000), wk = 0.0032154 k( 76) = ( 0.0000000 0.3222222 0.0000000), wk = 0.0032154 k( 77) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0032154 k( 78) = ( 0.0000000 0.3444444 0.0000000), wk = 0.0032154 k( 79) = ( 0.0000000 0.3555556 -0.0000000), wk = 0.0032154 k( 80) = ( 0.0000000 0.3666667 0.0000000), wk = 0.0032154 k( 81) = ( 0.0000000 0.3777778 0.0000000), wk = 0.0032154 k( 82) = ( 0.0000000 0.3888889 0.0000000), wk = 0.0032154 k( 83) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0032154 k( 84) = ( 0.0000000 0.4111111 0.0000000), wk = 0.0032154 k( 85) = ( 0.0000000 0.4222222 0.0000000), wk = 0.0032154 k( 86) = ( 0.0000000 0.4333333 0.0000000), wk = 0.0032154 k( 87) = ( 0.0000000 0.4444444 0.0000000), wk = 0.0032154 k( 88) = ( 0.0000000 0.4555556 0.0000000), wk = 0.0032154 k( 89) = ( 0.0000000 0.4666667 0.0000000), wk = 0.0032154 k( 90) = ( 0.0000000 0.4777778 0.0000000), wk = 0.0032154 k( 91) = ( 0.0000000 0.4888889 0.0000000), wk = 0.0032154 k( 92) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032154 k( 93) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032154 k( 94) = ( 0.4900000 0.4900000 0.0000000), wk = 0.0032154 k( 95) = ( 0.4800000 0.4800000 0.0000000), wk = 0.0032154 k( 96) = ( 0.4700000 0.4700000 0.0000000), wk = 0.0032154 k( 97) = ( 0.4600000 0.4600000 -0.0000000), wk = 0.0032154 k( 98) = ( 0.4500000 0.4500000 0.0000000), wk = 0.0032154 k( 99) = ( 0.4400000 0.4400000 0.0000000), wk = 0.0032154 k( 100) = ( 0.4300000 0.4300000 0.0000000), wk = 0.0032154 k( 101) = ( 0.4200000 0.4200000 0.0000000), wk = 0.0032154 k( 102) = ( 0.4100000 0.4100000 0.0000000), wk = 0.0032154 k( 103) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0032154 k( 104) = ( 0.3900000 0.3900000 -0.0000000), wk = 0.0032154 k( 105) = ( 0.3800000 0.3800000 0.0000000), wk = 0.0032154 k( 106) = ( 0.3700000 0.3700000 -0.0000000), wk = 0.0032154 k( 107) = ( 0.3600000 0.3600000 0.0000000), wk = 0.0032154 k( 108) = ( 0.3500000 0.3500000 0.0000000), wk = 0.0032154 k( 109) = ( 0.3400000 0.3400000 0.0000000), wk = 0.0032154 k( 110) = ( 0.3300000 0.3300000 0.0000000), wk = 0.0032154 k( 111) = ( 0.3200000 0.3200000 0.0000000), wk = 0.0032154 k( 112) = ( 0.3100000 0.3100000 0.0000000), wk = 0.0032154 k( 113) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0032154 k( 114) = ( 0.2900000 0.2900000 0.0000000), wk = 0.0032154 k( 115) = ( 0.2800000 0.2800000 0.0000000), wk = 0.0032154 k( 116) = ( 0.2700000 0.2700000 0.0000000), wk = 0.0032154 k( 117) = ( 0.2600000 0.2600000 0.0000000), wk = 0.0032154 k( 118) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0032154 k( 119) = ( 0.2400000 0.2400000 0.0000000), wk = 0.0032154 k( 120) = ( 0.2300000 0.2300000 -0.0000000), wk = 0.0032154 k( 121) = ( 0.2200000 0.2200000 0.0000000), wk = 0.0032154 k( 122) = ( 0.2100000 0.2100000 0.0000000), wk = 0.0032154 k( 123) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0032154 k( 124) = ( 0.1900000 0.1900000 0.0000000), wk = 0.0032154 k( 125) = ( 0.1800000 0.1800000 0.0000000), wk = 0.0032154 k( 126) = ( 0.1700000 0.1700000 0.0000000), wk = 0.0032154 k( 127) = ( 0.1600000 0.1600000 0.0000000), wk = 0.0032154 k( 128) = ( 0.1500000 0.1500000 0.0000000), wk = 0.0032154 k( 129) = ( 0.1400000 0.1400000 0.0000000), wk = 0.0032154 k( 130) = ( 0.1300000 0.1300000 0.0000000), wk = 0.0032154 k( 131) = ( 0.1200000 0.1200000 0.0000000), wk = 0.0032154 k( 132) = ( 0.1100000 0.1100000 0.0000000), wk = 0.0032154 k( 133) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0032154 k( 134) = ( 0.0900000 0.0900000 0.0000000), wk = 0.0032154 k( 135) = ( 0.0800000 0.0800000 0.0000000), wk = 0.0032154 k( 136) = ( 0.0700000 0.0700000 0.0000000), wk = 0.0032154 k( 137) = ( 0.0600000 0.0600000 0.0000000), wk = 0.0032154 k( 138) = ( 0.0500000 0.0500000 0.0000000), wk = 0.0032154 k( 139) = ( 0.0400000 0.0400000 0.0000000), wk = 0.0032154 k( 140) = ( 0.0300000 0.0300000 0.0000000), wk = 0.0032154 k( 141) = ( 0.0200000 0.0200000 0.0000000), wk = 0.0032154 k( 142) = ( 0.0100000 0.0100000 0.0000000), wk = 0.0032154 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 145) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0032154 k( 146) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0032154 k( 147) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0032154 k( 148) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0032154 k( 149) = ( 0.0000000 0.0000000 0.1086956), wk = 0.0032154 k( 150) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0032154 k( 151) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0032154 k( 152) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0032154 k( 153) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0032154 k( 154) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0032154 k( 155) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0032154 k( 156) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0032154 k( 157) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0032154 k( 158) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0032154 k( 159) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0032154 k( 160) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0032154 k( 161) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0032154 k( 162) = ( 0.0000000 0.0000000 0.3913043), wk = 0.0032154 k( 163) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0032154 k( 164) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0032154 k( 165) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0032154 k( 166) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0032154 k( 167) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032154 k( 168) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032154 k( 169) = ( 0.4893617 0.0000000 0.4893617), wk = 0.0032154 k( 170) = ( 0.4787234 0.0000000 0.4787234), wk = 0.0032154 k( 171) = ( 0.4680851 0.0000000 0.4680851), wk = 0.0032154 k( 172) = ( 0.4574468 0.0000000 0.4574468), wk = 0.0032154 k( 173) = ( 0.4468085 0.0000000 0.4468085), wk = 0.0032154 k( 174) = ( 0.4361702 0.0000000 0.4361702), wk = 0.0032154 k( 175) = ( 0.4255319 0.0000000 0.4255319), wk = 0.0032154 k( 176) = ( 0.4148936 0.0000000 0.4148936), wk = 0.0032154 k( 177) = ( 0.4042553 0.0000000 0.4042553), wk = 0.0032154 k( 178) = ( 0.3936170 0.0000000 0.3936170), wk = 0.0032154 k( 179) = ( 0.3829787 0.0000000 0.3829787), wk = 0.0032154 k( 180) = ( 0.3723404 0.0000000 0.3723404), wk = 0.0032154 k( 181) = ( 0.3617021 0.0000000 0.3617021), wk = 0.0032154 k( 182) = ( 0.3510638 0.0000000 0.3510638), wk = 0.0032154 k( 183) = ( 0.3404255 0.0000000 0.3404255), wk = 0.0032154 k( 184) = ( 0.3297872 0.0000000 0.3297872), wk = 0.0032154 k( 185) = ( 0.3191489 0.0000000 0.3191489), wk = 0.0032154 k( 186) = ( 0.3085106 0.0000000 0.3085106), wk = 0.0032154 k( 187) = ( 0.2978723 0.0000000 0.2978723), wk = 0.0032154 k( 188) = ( 0.2872340 0.0000000 0.2872340), wk = 0.0032154 k( 189) = ( 0.2765957 -0.0000000 0.2765957), wk = 0.0032154 k( 190) = ( 0.2659574 0.0000000 0.2659574), wk = 0.0032154 k( 191) = ( 0.2553191 0.0000000 0.2553192), wk = 0.0032154 k( 192) = ( 0.2446809 0.0000000 0.2446808), wk = 0.0032154 k( 193) = ( 0.2340425 0.0000000 0.2340425), wk = 0.0032154 k( 194) = ( 0.2234043 0.0000000 0.2234043), wk = 0.0032154 k( 195) = ( 0.2127660 0.0000000 0.2127660), wk = 0.0032154 k( 196) = ( 0.2021277 0.0000000 0.2021277), wk = 0.0032154 k( 197) = ( 0.1914894 0.0000000 0.1914894), wk = 0.0032154 k( 198) = ( 0.1808511 0.0000000 0.1808511), wk = 0.0032154 k( 199) = ( 0.1702128 0.0000000 0.1702128), wk = 0.0032154 k( 200) = ( 0.1595745 0.0000000 0.1595745), wk = 0.0032154 k( 201) = ( 0.1489362 0.0000000 0.1489362), wk = 0.0032154 k( 202) = ( 0.1382979 -0.0000000 0.1382979), wk = 0.0032154 k( 203) = ( 0.1276596 0.0000000 0.1276596), wk = 0.0032154 k( 204) = ( 0.1170213 0.0000000 0.1170213), wk = 0.0032154 k( 205) = ( 0.1063830 0.0000000 0.1063830), wk = 0.0032154 k( 206) = ( 0.0957447 0.0000000 0.0957447), wk = 0.0032154 k( 207) = ( 0.0851064 0.0000000 0.0851064), wk = 0.0032154 k( 208) = ( 0.0744681 0.0000000 0.0744681), wk = 0.0032154 k( 209) = ( 0.0638298 0.0000000 0.0638298), wk = 0.0032154 k( 210) = ( 0.0531915 0.0000000 0.0531915), wk = 0.0032154 k( 211) = ( 0.0425532 0.0000000 0.0425532), wk = 0.0032154 k( 212) = ( 0.0319149 0.0000000 0.0319149), wk = 0.0032154 k( 213) = ( 0.0212766 0.0000000 0.0212766), wk = 0.0032154 k( 214) = ( 0.0106383 0.0000000 0.0106383), wk = 0.0032154 k( 215) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 216) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 217) = ( 0.0000000 0.0108696 0.0108696), wk = 0.0032154 k( 218) = ( 0.0000000 0.0217391 0.0217391), wk = 0.0032154 k( 219) = ( 0.0000000 0.0326087 0.0326087), wk = 0.0032154 k( 220) = ( 0.0000000 0.0434783 0.0434783), wk = 0.0032154 k( 221) = ( 0.0000000 0.0543478 0.0543478), wk = 0.0032154 k( 222) = ( 0.0000000 0.0652174 0.0652174), wk = 0.0032154 k( 223) = ( 0.0000000 0.0760870 0.0760870), wk = 0.0032154 k( 224) = ( 0.0000000 0.0869565 0.0869565), wk = 0.0032154 k( 225) = ( 0.0000000 0.0978261 0.0978261), wk = 0.0032154 k( 226) = ( 0.0000000 0.1086957 0.1086956), wk = 0.0032154 k( 227) = ( 0.0000000 0.1195652 0.1195652), wk = 0.0032154 k( 228) = ( 0.0000000 0.1304348 0.1304348), wk = 0.0032154 k( 229) = ( 0.0000000 0.1413043 0.1413043), wk = 0.0032154 k( 230) = ( 0.0000000 0.1521739 0.1521739), wk = 0.0032154 k( 231) = ( 0.0000000 0.1630435 0.1630435), wk = 0.0032154 k( 232) = ( 0.0000000 0.1739130 0.1739130), wk = 0.0032154 k( 233) = ( 0.0000000 0.1847826 0.1847826), wk = 0.0032154 k( 234) = ( 0.0000000 0.1956522 0.1956522), wk = 0.0032154 k( 235) = ( 0.0000000 0.2065217 0.2065217), wk = 0.0032154 k( 236) = ( 0.0000000 0.2173913 0.2173913), wk = 0.0032154 k( 237) = ( 0.0000000 0.2282609 0.2282609), wk = 0.0032154 k( 238) = ( 0.0000000 0.2391304 0.2391304), wk = 0.0032154 k( 239) = ( 0.0000000 0.2500000 0.2500000), wk = 0.0032154 k( 240) = ( 0.0000000 0.2608696 0.2608696), wk = 0.0032154 k( 241) = ( 0.0000000 0.2717391 0.2717391), wk = 0.0032154 k( 242) = ( 0.0000000 0.2826087 0.2826087), wk = 0.0032154 k( 243) = ( 0.0000000 0.2934783 0.2934783), wk = 0.0032154 k( 244) = ( 0.0000000 0.3043478 0.3043478), wk = 0.0032154 k( 245) = ( 0.0000000 0.3152174 0.3152174), wk = 0.0032154 k( 246) = ( 0.0000000 0.3260870 0.3260870), wk = 0.0032154 k( 247) = ( 0.0000000 0.3369565 0.3369565), wk = 0.0032154 k( 248) = ( 0.0000000 0.3478261 0.3478261), wk = 0.0032154 k( 249) = ( 0.0000000 0.3586956 0.3586956), wk = 0.0032154 k( 250) = ( 0.0000000 0.3695652 0.3695652), wk = 0.0032154 k( 251) = ( 0.0000000 0.3804348 0.3804348), wk = 0.0032154 k( 252) = ( 0.0000000 0.3913044 0.3913044), wk = 0.0032154 k( 253) = ( 0.0000000 0.4021739 0.4021739), wk = 0.0032154 k( 254) = ( 0.0000000 0.4130435 0.4130435), wk = 0.0032154 k( 255) = ( 0.0000000 0.4239130 0.4239130), wk = 0.0032154 k( 256) = ( 0.0000000 0.4347826 0.4347826), wk = 0.0032154 k( 257) = ( 0.0000000 0.4456522 0.4456522), wk = 0.0032154 k( 258) = ( 0.0000000 0.4565217 0.4565217), wk = 0.0032154 k( 259) = ( 0.0000000 0.4673913 0.4673913), wk = 0.0032154 k( 260) = ( 0.0000000 0.4782609 0.4782609), wk = 0.0032154 k( 261) = ( 0.0000000 0.4891304 0.4891304), wk = 0.0032154 k( 262) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0032154 k( 263) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032154 k( 264) = ( 0.4895833 0.4895833 0.4895833), wk = 0.0032154 k( 265) = ( 0.4791667 0.4791667 0.4791667), wk = 0.0032154 k( 266) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0032154 k( 267) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0032154 k( 268) = ( 0.4479167 0.4479167 0.4479167), wk = 0.0032154 k( 269) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0032154 k( 270) = ( 0.4270833 0.4270833 0.4270833), wk = 0.0032154 k( 271) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0032154 k( 272) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0032154 k( 273) = ( 0.3958333 0.3958333 0.3958333), wk = 0.0032154 k( 274) = ( 0.3854167 0.3854167 0.3854167), wk = 0.0032154 k( 275) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0032154 k( 276) = ( 0.3645833 0.3645833 0.3645833), wk = 0.0032154 k( 277) = ( 0.3541667 0.3541667 0.3541667), wk = 0.0032154 k( 278) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0032154 k( 279) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0032154 k( 280) = ( 0.3229167 0.3229167 0.3229167), wk = 0.0032154 k( 281) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0032154 k( 282) = ( 0.3020833 0.3020833 0.3020833), wk = 0.0032154 k( 283) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0032154 k( 284) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0032154 k( 285) = ( 0.2708333 0.2708333 0.2708333), wk = 0.0032154 k( 286) = ( 0.2604167 0.2604167 0.2604167), wk = 0.0032154 k( 287) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032154 k( 288) = ( 0.2395833 0.2395833 0.2395833), wk = 0.0032154 k( 289) = ( 0.2291667 0.2291667 0.2291667), wk = 0.0032154 k( 290) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0032154 k( 291) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0032154 k( 292) = ( 0.1979167 0.1979167 0.1979167), wk = 0.0032154 k( 293) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0032154 k( 294) = ( 0.1770833 0.1770833 0.1770833), wk = 0.0032154 k( 295) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0032154 k( 296) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0032154 k( 297) = ( 0.1458333 0.1458333 0.1458333), wk = 0.0032154 k( 298) = ( 0.1354167 0.1354167 0.1354167), wk = 0.0032154 k( 299) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0032154 k( 300) = ( 0.1145833 0.1145833 0.1145833), wk = 0.0032154 k( 301) = ( 0.1041667 0.1041667 0.1041667), wk = 0.0032154 k( 302) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0032154 k( 303) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0032154 k( 304) = ( 0.0729167 0.0729167 0.0729167), wk = 0.0032154 k( 305) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0032154 k( 306) = ( 0.0520833 0.0520833 0.0520833), wk = 0.0032154 k( 307) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0032154 k( 308) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0032154 k( 309) = ( 0.0208333 0.0208333 0.0208333), wk = 0.0032154 k( 310) = ( 0.0104167 0.0104167 0.0104167), wk = 0.0032154 k( 311) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 Dense grid: 66027 G-vectors FFT dimensions: ( 45, 45, 80) Smooth grid: 27869 G-vectors FFT dimensions: ( 36, 36, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 138, 44) NL pseudopotentials 0.13 Mb ( 69, 124) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1379) G-vector shells 0.01 Mb ( 1342) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.37 Mb ( 138, 176) Each subspace H/S matrix 0.47 Mb ( 176, 176) Each matrix 0.17 Mb ( 124, 2, 44) Check: negative/imaginary core charge= -0.000008 0.000000 The potential is recalculated from file : ./CaC2.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.7 secs Computing kpt #: 2 total cpu time spent up to now is 44.9 secs Computing kpt #: 3 total cpu time spent up to now is 47.0 secs Computing kpt #: 4 total cpu time spent up to now is 49.0 secs Computing kpt #: 5 total cpu time spent up to now is 51.3 secs Computing kpt #: 6 total cpu time spent up to now is 53.7 secs Computing kpt #: 7 total cpu time spent up to now is 55.9 secs Computing kpt #: 8 total cpu time spent up to now is 58.1 secs Computing kpt #: 9 total cpu time spent up to now is 60.4 secs Computing kpt #: 10 total cpu time spent up to now is 62.8 secs Computing kpt #: 11 total cpu time spent up to now is 65.3 secs Computing kpt #: 12 total cpu time spent up to now is 68.0 secs Computing kpt #: 13 total cpu time spent up to now is 70.8 secs Computing kpt #: 14 total cpu time spent up to now is 73.7 secs Computing kpt #: 15 total cpu time spent up to now is 76.8 secs Computing kpt #: 16 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 80.0 secs Computing kpt #: 17 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 83.1 secs Computing kpt #: 18 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 86.3 secs Computing kpt #: 19 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 89.5 secs Computing kpt #: 20 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 92.7 secs Computing kpt #: 21 total cpu time spent up to now is 95.3 secs Computing kpt #: 22 total cpu time spent up to now is 97.8 secs Computing kpt #: 23 total cpu time spent up to now is 100.8 secs Computing kpt #: 24 total cpu time spent up to now is 103.2 secs Computing kpt #: 25 total cpu time spent up to now is 105.6 secs Computing kpt #: 26 total cpu time spent up to now is 107.9 secs Computing kpt #: 27 total cpu time spent up to now is 110.1 secs Computing kpt #: 28 total cpu time spent up to now is 112.3 secs Computing kpt #: 29 total cpu time spent up to now is 114.4 secs Computing kpt #: 30 total cpu time spent up to now is 116.4 secs Computing kpt #: 31 total cpu time spent up to now is 118.5 secs Computing kpt #: 32 total cpu time spent up to now is 120.6 secs Computing kpt #: 33 total cpu time spent up to now is 122.7 secs Computing kpt #: 34 total cpu time spent up to now is 124.8 secs Computing kpt #: 35 total cpu time spent up to now is 127.0 secs Computing kpt #: 36 total cpu time spent up to now is 129.1 secs Computing kpt #: 37 total cpu time spent up to now is 131.3 secs Computing kpt #: 38 total cpu time spent up to now is 133.6 secs Computing kpt #: 39 total cpu time spent up to now is 135.9 secs Computing kpt #: 40 total cpu time spent up to now is 138.1 secs Computing kpt #: 41 total cpu time spent up to now is 140.4 secs Computing kpt #: 42 total cpu time spent up to now is 142.8 secs Computing kpt #: 43 total cpu time spent up to now is 145.1 secs Computing kpt #: 44 total cpu time spent up to now is 147.4 secs Computing kpt #: 45 total cpu time spent up to now is 149.7 secs Computing kpt #: 46 total cpu time spent up to now is 152.0 secs Computing kpt #: 47 total cpu time spent up to now is 154.4 secs Computing kpt #: 48 total cpu time spent up to now is 156.9 secs Computing kpt #: 49 total cpu time spent up to now is 159.2 secs Computing kpt #: 50 total cpu time spent up to now is 161.5 secs Computing kpt #: 51 total cpu time spent up to now is 163.9 secs Computing kpt #: 52 total cpu time spent up to now is 166.1 secs Computing kpt #: 53 total cpu time spent up to now is 168.4 secs Computing kpt #: 54 total cpu time spent up to now is 170.6 secs Computing kpt #: 55 total cpu time spent up to now is 172.8 secs Computing kpt #: 56 total cpu time spent up to now is 175.0 secs Computing kpt #: 57 total cpu time spent up to now is 177.2 secs Computing kpt #: 58 total cpu time spent up to now is 179.4 secs Computing kpt #: 59 total cpu time spent up to now is 181.6 secs Computing kpt #: 60 total cpu time spent up to now is 183.8 secs Computing kpt #: 61 total cpu time spent up to now is 185.9 secs Computing kpt #: 62 total cpu time spent up to now is 188.0 secs Computing kpt #: 63 total cpu time spent up to now is 190.2 secs Computing kpt #: 64 total cpu time spent up to now is 192.3 secs Computing kpt #: 65 total cpu time spent up to now is 194.4 secs Computing kpt #: 66 total cpu time spent up to now is 196.6 secs Computing kpt #: 67 total cpu time spent up to now is 198.7 secs Computing kpt #: 68 total cpu time spent up to now is 200.8 secs Computing kpt #: 69 total cpu time spent up to now is 203.0 secs Computing kpt #: 70 total cpu time spent up to now is 205.2 secs Computing kpt #: 71 total cpu time spent up to now is 207.6 secs Computing kpt #: 72 total cpu time spent up to now is 210.0 secs Computing kpt #: 73 total cpu time spent up to now is 212.4 secs Computing kpt #: 74 total cpu time spent up to now is 214.7 secs Computing kpt #: 75 total cpu time spent up to now is 217.0 secs Computing kpt #: 76 total cpu time spent up to now is 219.4 secs Computing kpt #: 77 total cpu time spent up to now is 221.8 secs Computing kpt #: 78 total cpu time spent up to now is 224.2 secs Computing kpt #: 79 total cpu time spent up to now is 226.5 secs Computing kpt #: 80 total cpu time spent up to now is 228.7 secs Computing kpt #: 81 total cpu time spent up to now is 231.0 secs Computing kpt #: 82 total cpu time spent up to now is 233.3 secs Computing kpt #: 83 total cpu time spent up to now is 235.6 secs Computing kpt #: 84 total cpu time spent up to now is 237.8 secs Computing kpt #: 85 total cpu time spent up to now is 240.1 secs Computing kpt #: 86 total cpu time spent up to now is 242.3 secs Computing kpt #: 87 total cpu time spent up to now is 244.5 secs Computing kpt #: 88 total cpu time spent up to now is 246.7 secs Computing kpt #: 89 total cpu time spent up to now is 248.9 secs Computing kpt #: 90 total cpu time spent up to now is 251.1 secs Computing kpt #: 91 total cpu time spent up to now is 253.3 secs Computing kpt #: 92 total cpu time spent up to now is 255.3 secs Computing kpt #: 93 total cpu time spent up to now is 258.0 secs Computing kpt #: 94 total cpu time spent up to now is 260.6 secs Computing kpt #: 95 total cpu time spent up to now is 263.2 secs Computing kpt #: 96 total cpu time spent up to now is 265.9 secs Computing kpt #: 97 total cpu time spent up to now is 268.9 secs Computing kpt #: 98 total cpu time spent up to now is 272.0 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 275.2 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 278.3 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 281.4 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 284.6 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 287.7 secs Computing kpt #: 104 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 290.8 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 294.0 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 297.1 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 300.2 secs Computing kpt #: 108 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 303.6 secs Computing kpt #: 109 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 306.7 secs Computing kpt #: 110 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 309.8 secs Computing kpt #: 111 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 312.9 secs Computing kpt #: 112 total cpu time spent up to now is 315.9 secs Computing kpt #: 113 total cpu time spent up to now is 318.9 secs Computing kpt #: 114 total cpu time spent up to now is 321.8 secs Computing kpt #: 115 total cpu time spent up to now is 324.8 secs Computing kpt #: 116 total cpu time spent up to now is 327.5 secs Computing kpt #: 117 total cpu time spent up to now is 329.9 secs Computing kpt #: 118 total cpu time spent up to now is 332.3 secs Computing kpt #: 119 total cpu time spent up to now is 334.6 secs Computing kpt #: 120 total cpu time spent up to now is 336.8 secs Computing kpt #: 121 total cpu time spent up to now is 338.9 secs Computing kpt #: 122 total cpu time spent up to now is 341.1 secs Computing kpt #: 123 total cpu time spent up to now is 343.1 secs Computing kpt #: 124 total cpu time spent up to now is 345.1 secs Computing kpt #: 125 total cpu time spent up to now is 347.2 secs Computing kpt #: 126 total cpu time spent up to now is 349.3 secs Computing kpt #: 127 total cpu time spent up to now is 351.4 secs Computing kpt #: 128 total cpu time spent up to now is 353.4 secs Computing kpt #: 129 total cpu time spent up to now is 355.6 secs Computing kpt #: 130 total cpu time spent up to now is 357.8 secs Computing kpt #: 131 total cpu time spent up to now is 360.0 secs Computing kpt #: 132 total cpu time spent up to now is 362.1 secs Computing kpt #: 133 total cpu time spent up to now is 364.3 secs Computing kpt #: 134 total cpu time spent up to now is 366.4 secs Computing kpt #: 135 total cpu time spent up to now is 368.6 secs Computing kpt #: 136 total cpu time spent up to now is 370.9 secs Computing kpt #: 137 total cpu time spent up to now is 373.1 secs Computing kpt #: 138 total cpu time spent up to now is 375.3 secs Computing kpt #: 139 total cpu time spent up to now is 377.6 secs Computing kpt #: 140 total cpu time spent up to now is 380.0 secs Computing kpt #: 141 total cpu time spent up to now is 382.3 secs Computing kpt #: 142 total cpu time spent up to now is 384.5 secs Computing kpt #: 143 total cpu time spent up to now is 386.9 secs Computing kpt #: 144 total cpu time spent up to now is 389.4 secs Computing kpt #: 145 total cpu time spent up to now is 391.7 secs Computing kpt #: 146 total cpu time spent up to now is 393.9 secs Computing kpt #: 147 total cpu time spent up to now is 396.2 secs Computing kpt #: 148 total cpu time spent up to now is 398.5 secs Computing kpt #: 149 total cpu time spent up to now is 400.8 secs Computing kpt #: 150 total cpu time spent up to now is 403.0 secs Computing kpt #: 151 total cpu time spent up to now is 405.2 secs Computing kpt #: 152 total cpu time spent up to now is 407.4 secs Computing kpt #: 153 total cpu time spent up to now is 409.6 secs Computing kpt #: 154 total cpu time spent up to now is 411.8 secs Computing kpt #: 155 total cpu time spent up to now is 413.9 secs Computing kpt #: 156 total cpu time spent up to now is 416.0 secs Computing kpt #: 157 total cpu time spent up to now is 418.3 secs Computing kpt #: 158 total cpu time spent up to now is 420.6 secs Computing kpt #: 159 total cpu time spent up to now is 422.7 secs Computing kpt #: 160 total cpu time spent up to now is 425.1 secs Computing kpt #: 161 total cpu time spent up to now is 427.3 secs Computing kpt #: 162 total cpu time spent up to now is 429.6 secs Computing kpt #: 163 total cpu time spent up to now is 431.8 secs Computing kpt #: 164 total cpu time spent up to now is 434.1 secs Computing kpt #: 165 total cpu time spent up to now is 436.3 secs Computing kpt #: 166 total cpu time spent up to now is 438.5 secs Computing kpt #: 167 total cpu time spent up to now is 440.6 secs Computing kpt #: 168 total cpu time spent up to now is 442.8 secs Computing kpt #: 169 total cpu time spent up to now is 445.0 secs Computing kpt #: 170 total cpu time spent up to now is 447.2 secs Computing kpt #: 171 total cpu time spent up to now is 449.5 secs Computing kpt #: 172 total cpu time spent up to now is 451.7 secs Computing kpt #: 173 total cpu time spent up to now is 453.9 secs Computing kpt #: 174 total cpu time spent up to now is 456.2 secs Computing kpt #: 175 total cpu time spent up to now is 458.5 secs Computing kpt #: 176 total cpu time spent up to now is 460.8 secs Computing kpt #: 177 total cpu time spent up to now is 463.1 secs Computing kpt #: 178 total cpu time spent up to now is 465.4 secs Computing kpt #: 179 total cpu time spent up to now is 467.8 secs Computing kpt #: 180 total cpu time spent up to now is 470.1 secs Computing kpt #: 181 total cpu time spent up to now is 472.5 secs Computing kpt #: 182 total cpu time spent up to now is 474.8 secs Computing kpt #: 183 total cpu time spent up to now is 477.3 secs Computing kpt #: 184 total cpu time spent up to now is 479.8 secs Computing kpt #: 185 total cpu time spent up to now is 482.3 secs Computing kpt #: 186 total cpu time spent up to now is 485.0 secs Computing kpt #: 187 total cpu time spent up to now is 487.6 secs Computing kpt #: 188 total cpu time spent up to now is 490.4 secs Computing kpt #: 189 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 493.5 secs Computing kpt #: 190 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 496.7 secs Computing kpt #: 191 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 500.0 secs Computing kpt #: 192 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 503.4 secs Computing kpt #: 193 total cpu time spent up to now is 506.5 secs Computing kpt #: 194 total cpu time spent up to now is 509.5 secs Computing kpt #: 195 total cpu time spent up to now is 512.4 secs Computing kpt #: 196 total cpu time spent up to now is 515.3 secs Computing kpt #: 197 total cpu time spent up to now is 517.7 secs Computing kpt #: 198 total cpu time spent up to now is 520.1 secs Computing kpt #: 199 total cpu time spent up to now is 522.4 secs Computing kpt #: 200 total cpu time spent up to now is 524.8 secs Computing kpt #: 201 total cpu time spent up to now is 527.0 secs Computing kpt #: 202 total cpu time spent up to now is 529.3 secs Computing kpt #: 203 total cpu time spent up to now is 531.6 secs Computing kpt #: 204 total cpu time spent up to now is 533.9 secs Computing kpt #: 205 total cpu time spent up to now is 536.2 secs Computing kpt #: 206 total cpu time spent up to now is 538.5 secs Computing kpt #: 207 total cpu time spent up to now is 540.9 secs Computing kpt #: 208 total cpu time spent up to now is 543.1 secs Computing kpt #: 209 total cpu time spent up to now is 545.4 secs Computing kpt #: 210 total cpu time spent up to now is 547.9 secs Computing kpt #: 211 total cpu time spent up to now is 550.2 secs Computing kpt #: 212 total cpu time spent up to now is 552.6 secs Computing kpt #: 213 total cpu time spent up to now is 555.0 secs Computing kpt #: 214 total cpu time spent up to now is 557.4 secs Computing kpt #: 215 total cpu time spent up to now is 559.8 secs Computing kpt #: 216 total cpu time spent up to now is 562.1 secs Computing kpt #: 217 total cpu time spent up to now is 564.4 secs Computing kpt #: 218 total cpu time spent up to now is 566.8 secs Computing kpt #: 219 total cpu time spent up to now is 569.2 secs Computing kpt #: 220 total cpu time spent up to now is 571.4 secs Computing kpt #: 221 total cpu time spent up to now is 573.6 secs Computing kpt #: 222 total cpu time spent up to now is 575.8 secs Computing kpt #: 223 total cpu time spent up to now is 578.0 secs Computing kpt #: 224 total cpu time spent up to now is 580.0 secs Computing kpt #: 225 total cpu time spent up to now is 582.0 secs Computing kpt #: 226 total cpu time spent up to now is 584.0 secs Computing kpt #: 227 total cpu time spent up to now is 586.2 secs Computing kpt #: 228 total cpu time spent up to now is 588.2 secs Computing kpt #: 229 total cpu time spent up to now is 590.2 secs Computing kpt #: 230 total cpu time spent up to now is 592.3 secs Computing kpt #: 231 total cpu time spent up to now is 594.3 secs Computing kpt #: 232 total cpu time spent up to now is 596.4 secs Computing kpt #: 233 total cpu time spent up to now is 598.7 secs Computing kpt #: 234 total cpu time spent up to now is 600.8 secs Computing kpt #: 235 total cpu time spent up to now is 602.9 secs Computing kpt #: 236 total cpu time spent up to now is 605.2 secs Computing kpt #: 237 total cpu time spent up to now is 607.4 secs Computing kpt #: 238 total cpu time spent up to now is 609.5 secs Computing kpt #: 239 total cpu time spent up to now is 611.7 secs Computing kpt #: 240 total cpu time spent up to now is 614.0 secs Computing kpt #: 241 total cpu time spent up to now is 616.3 secs Computing kpt #: 242 total cpu time spent up to now is 618.5 secs Computing kpt #: 243 total cpu time spent up to now is 620.8 secs Computing kpt #: 244 total cpu time spent up to now is 623.0 secs Computing kpt #: 245 total cpu time spent up to now is 625.2 secs Computing kpt #: 246 total cpu time spent up to now is 627.5 secs Computing kpt #: 247 total cpu time spent up to now is 629.6 secs Computing kpt #: 248 total cpu time spent up to now is 631.8 secs Computing kpt #: 249 total cpu time spent up to now is 634.0 secs Computing kpt #: 250 total cpu time spent up to now is 636.1 secs Computing kpt #: 251 total cpu time spent up to now is 638.2 secs Computing kpt #: 252 total cpu time spent up to now is 640.3 secs Computing kpt #: 253 total cpu time spent up to now is 642.3 secs Computing kpt #: 254 total cpu time spent up to now is 644.4 secs Computing kpt #: 255 total cpu time spent up to now is 646.5 secs Computing kpt #: 256 total cpu time spent up to now is 648.6 secs Computing kpt #: 257 total cpu time spent up to now is 650.7 secs Computing kpt #: 258 total cpu time spent up to now is 652.9 secs Computing kpt #: 259 total cpu time spent up to now is 655.1 secs Computing kpt #: 260 total cpu time spent up to now is 657.4 secs Computing kpt #: 261 total cpu time spent up to now is 659.8 secs Computing kpt #: 262 total cpu time spent up to now is 662.2 secs Computing kpt #: 263 total cpu time spent up to now is 664.4 secs Computing kpt #: 264 total cpu time spent up to now is 666.7 secs Computing kpt #: 265 total cpu time spent up to now is 668.9 secs Computing kpt #: 266 total cpu time spent up to now is 671.2 secs Computing kpt #: 267 total cpu time spent up to now is 673.4 secs Computing kpt #: 268 total cpu time spent up to now is 675.6 secs Computing kpt #: 269 total cpu time spent up to now is 677.9 secs Computing kpt #: 270 total cpu time spent up to now is 680.0 secs Computing kpt #: 271 total cpu time spent up to now is 682.1 secs Computing kpt #: 272 total cpu time spent up to now is 684.2 secs Computing kpt #: 273 total cpu time spent up to now is 686.3 secs Computing kpt #: 274 total cpu time spent up to now is 688.5 secs Computing kpt #: 275 total cpu time spent up to now is 690.6 secs Computing kpt #: 276 total cpu time spent up to now is 692.6 secs Computing kpt #: 277 total cpu time spent up to now is 694.6 secs Computing kpt #: 278 total cpu time spent up to now is 696.7 secs Computing kpt #: 279 total cpu time spent up to now is 698.8 secs Computing kpt #: 280 total cpu time spent up to now is 701.2 secs Computing kpt #: 281 total cpu time spent up to now is 703.4 secs Computing kpt #: 282 total cpu time spent up to now is 705.7 secs Computing kpt #: 283 total cpu time spent up to now is 708.1 secs Computing kpt #: 284 total cpu time spent up to now is 710.4 secs Computing kpt #: 285 total cpu time spent up to now is 713.2 secs Computing kpt #: 286 total cpu time spent up to now is 716.1 secs Computing kpt #: 287 total cpu time spent up to now is 718.5 secs Computing kpt #: 288 total cpu time spent up to now is 720.8 secs Computing kpt #: 289 total cpu time spent up to now is 723.1 secs Computing kpt #: 290 total cpu time spent up to now is 725.4 secs Computing kpt #: 291 total cpu time spent up to now is 727.7 secs Computing kpt #: 292 total cpu time spent up to now is 729.9 secs Computing kpt #: 293 total cpu time spent up to now is 732.1 secs Computing kpt #: 294 total cpu time spent up to now is 734.3 secs Computing kpt #: 295 total cpu time spent up to now is 736.5 secs Computing kpt #: 296 total cpu time spent up to now is 738.7 secs Computing kpt #: 297 total cpu time spent up to now is 740.9 secs Computing kpt #: 298 total cpu time spent up to now is 743.2 secs Computing kpt #: 299 total cpu time spent up to now is 745.4 secs Computing kpt #: 300 total cpu time spent up to now is 747.6 secs Computing kpt #: 301 total cpu time spent up to now is 749.8 secs Computing kpt #: 302 total cpu time spent up to now is 752.1 secs Computing kpt #: 303 total cpu time spent up to now is 754.4 secs Computing kpt #: 304 total cpu time spent up to now is 756.7 secs Computing kpt #: 305 total cpu time spent up to now is 758.9 secs Computing kpt #: 306 total cpu time spent up to now is 761.3 secs Computing kpt #: 307 total cpu time spent up to now is 763.5 secs Computing kpt #: 308 total cpu time spent up to now is 765.8 secs Computing kpt #: 309 total cpu time spent up to now is 768.2 secs Computing kpt #: 310 total cpu time spent up to now is 770.7 secs Computing kpt #: 311 total cpu time spent up to now is 773.1 secs ethr = 2.78E-11, avg # of iterations = 73.7 total cpu time spent up to now is 773.3 secs End of band structure calculation k = 0.5000-0.2348-0.0936 ( 3482 PWs) bands (ev): -34.4004 -34.4004 -34.3977 -34.3977 -15.7069 -15.7069 -15.6898 -15.6898 -15.3603 -15.3603 -15.3377 -15.3377 -15.2803 -15.2803 -15.2704 -15.2704 -8.4380 -8.4380 -8.0982 -8.0982 0.8702 0.8702 1.7342 1.7342 1.9463 1.9463 2.1391 2.1391 2.4115 2.4115 3.0786 3.0786 3.9709 3.9709 4.2045 4.2045 8.5127 8.5127 8.8717 8.8717 10.0597 10.0597 10.2341 10.2341 k = 0.4889-0.2296-0.0915 ( 3483 PWs) bands (ev): -34.4004 -34.4004 -34.3977 -34.3977 -15.7069 -15.7069 -15.6897 -15.6897 -15.3603 -15.3603 -15.3377 -15.3377 -15.2802 -15.2802 -15.2703 -15.2703 -8.4382 -8.4382 -8.0984 -8.0984 0.8705 0.8705 1.7346 1.7346 1.9423 1.9423 2.1431 2.1431 2.4122 2.4122 3.0789 3.0789 3.9704 3.9704 4.2045 4.2045 8.5128 8.5128 8.8728 8.8728 10.0531 10.0531 10.2380 10.2380 k = 0.4778-0.2244-0.0895 ( 3485 PWs) bands (ev): -34.4004 -34.4004 -34.3977 -34.3977 -15.7070 -15.7070 -15.6894 -15.6894 -15.3604 -15.3604 -15.3374 -15.3374 -15.2801 -15.2801 -15.2702 -15.2702 -8.4387 -8.4387 -8.0987 -8.0987 0.8712 0.8712 1.7355 1.7355 1.9315 1.9315 2.1543 2.1543 2.4141 2.4141 3.0798 3.0798 3.9688 3.9688 4.2043 4.2043 8.5130 8.5130 8.8760 8.8760 10.0351 10.0351 10.2476 10.2476 k = 0.4667-0.2192-0.0874 ( 3483 PWs) bands (ev): -34.4005 -34.4005 -34.3977 -34.3977 -15.7070 -15.7070 -15.6890 -15.6890 -15.3605 -15.3605 -15.3370 -15.3370 -15.2797 -15.2797 -15.2699 -15.2699 -8.4396 -8.4396 -8.0994 -8.0994 0.8725 0.8725 1.7362 1.7362 1.9170 1.9170 2.1704 2.1704 2.4175 2.4175 3.0812 3.0812 3.9661 3.9661 4.2041 4.2041 8.5135 8.5135 8.8813 8.8813 10.0091 10.0091 10.2594 10.2594 k = 0.4556-0.2140-0.0853 ( 3482 PWs) bands (ev): -34.4006 -34.4006 -34.3977 -34.3977 -15.7071 -15.7071 -15.6885 -15.6885 -15.3607 -15.3607 -15.3364 -15.3364 -15.2793 -15.2793 -15.2695 -15.2695 -8.4408 -8.4408 -8.1002 -8.1002 0.8745 0.8745 1.7350 1.7350 1.9022 1.9022 2.1891 2.1891 2.4223 2.4223 3.0833 3.0833 3.9624 3.9624 4.2039 4.2039 8.5143 8.5143 8.8885 8.8885 9.9780 9.9780 10.2701 10.2701 k = 0.4444-0.2087-0.0832 ( 3482 PWs) bands (ev): -34.4008 -34.4008 -34.3977 -34.3977 -15.7072 -15.7072 -15.6878 -15.6878 -15.3608 -15.3608 -15.3357 -15.3357 -15.2787 -15.2787 -15.2689 -15.2689 -8.4423 -8.4423 -8.1013 -8.1013 0.8770 0.8770 1.7297 1.7297 1.8906 1.8906 2.2090 2.2090 2.4286 2.4286 3.0859 3.0859 3.9575 3.9575 4.2037 4.2037 8.5154 8.5154 8.8976 8.8976 9.9436 9.9436 10.2777 10.2777 k = 0.4333-0.2035-0.0811 ( 3486 PWs) bands (ev): -34.4009 -34.4009 -34.3977 -34.3977 -15.7074 -15.7074 -15.6869 -15.6869 -15.3610 -15.3610 -15.3348 -15.3348 -15.2780 -15.2780 -15.2683 -15.2683 -8.4442 -8.4442 -8.1026 -8.1026 0.8804 0.8804 1.7182 1.7182 1.8854 1.8854 2.2291 2.2291 2.4367 2.4367 3.0890 3.0890 3.9515 3.9515 4.2037 4.2037 8.5170 8.5170 8.9084 8.9084 9.9068 9.9068 10.2810 10.2810 k = 0.4222-0.1983-0.0791 ( 3488 PWs) bands (ev): -34.4011 -34.4011 -34.3977 -34.3977 -15.7075 -15.7075 -15.6860 -15.6860 -15.3612 -15.3612 -15.3339 -15.3339 -15.2772 -15.2772 -15.2675 -15.2675 -8.4464 -8.4464 -8.1042 -8.1042 0.8846 0.8846 1.6996 1.6996 1.8876 1.8876 2.2485 2.2485 2.4468 2.4468 3.0927 3.0927 3.9443 3.9443 4.2040 4.2040 8.5191 8.5191 8.9208 8.9208 9.8683 9.8683 10.2791 10.2791 k = 0.4111-0.1931-0.0770 ( 3492 PWs) bands (ev): -34.4013 -34.4013 -34.3978 -34.3978 -15.7077 -15.7077 -15.6849 -15.6849 -15.3615 -15.3615 -15.3328 -15.3328 -15.2762 -15.2762 -15.2667 -15.2667 -8.4490 -8.4490 -8.1059 -8.1059 0.8896 0.8896 1.6749 1.6749 1.8966 1.8966 2.2668 2.2668 2.4588 2.4588 3.0970 3.0970 3.9359 3.9359 4.2048 4.2048 8.5218 8.5218 8.9345 8.9345 9.8285 9.8285 10.2720 10.2720 k = 0.4000-0.1879-0.0749 ( 3489 PWs) bands (ev): -34.4016 -34.4016 -34.3978 -34.3978 -15.7078 -15.7078 -15.6838 -15.6838 -15.3617 -15.3617 -15.3316 -15.3316 -15.2751 -15.2751 -15.2657 -15.2657 -8.4518 -8.4518 -8.1078 -8.1078 0.8957 0.8957 1.6458 1.6458 1.9108 1.9108 2.2837 2.2837 2.4730 2.4730 3.1017 3.1017 3.9263 3.9263 4.2061 4.2061 8.5251 8.5251 8.9493 8.9493 9.7878 9.7878 10.2600 10.2600 k = 0.3889-0.1826-0.0728 ( 3483 PWs) bands (ev): -34.4018 -34.4018 -34.3978 -34.3978 -15.7079 -15.7079 -15.6825 -15.6825 -15.3619 -15.3619 -15.3304 -15.3304 -15.2738 -15.2738 -15.2645 -15.2645 -8.4550 -8.4550 -8.1098 -8.1098 0.9027 0.9027 1.6137 1.6137 1.9288 1.9288 2.2990 2.2990 2.4893 2.4893 3.1069 3.1069 3.9154 3.9154 4.2081 4.2081 8.5291 8.5291 8.9651 8.9651 9.7464 9.7464 10.2436 10.2436 k = 0.3778-0.1774-0.0707 ( 3485 PWs) bands (ev): -34.4021 -34.4021 -34.3979 -34.3979 -15.7080 -15.7080 -15.6812 -15.6812 -15.3621 -15.3621 -15.3291 -15.3291 -15.2725 -15.2725 -15.2633 -15.2633 -8.4585 -8.4585 -8.1120 -8.1120 0.9107 0.9107 1.5797 1.5797 1.9495 1.9495 2.3127 2.3127 2.5076 2.5076 3.1126 3.1126 3.9032 3.9032 4.2109 4.2109 8.5339 8.5339 8.9817 8.9817 9.7043 9.7043 10.2233 10.2233 k = 0.3667-0.1722-0.0687 ( 3487 PWs) bands (ev): -34.4024 -34.4024 -34.3979 -34.3979 -15.7082 -15.7082 -15.6798 -15.6798 -15.3623 -15.3623 -15.3278 -15.3278 -15.2710 -15.2710 -15.2620 -15.2620 -8.4624 -8.4624 -8.1144 -8.1144 0.9196 0.9196 1.5446 1.5446 1.9723 1.9723 2.3249 2.3249 2.5278 2.5278 3.1188 3.1188 3.8897 3.8897 4.2145 4.2145 8.5395 8.5395 8.9988 8.9988 9.6618 9.6618 10.2000 10.2000 k = 0.3556-0.1670-0.0666 ( 3483 PWs) bands (ev): -34.4027 -34.4027 -34.3980 -34.3980 -15.7083 -15.7083 -15.6783 -15.6783 -15.3625 -15.3625 -15.3264 -15.3264 -15.2693 -15.2693 -15.2605 -15.2605 -8.4665 -8.4665 -8.1168 -8.1168 0.9293 0.9293 1.5091 1.5091 1.9966 1.9966 2.3358 2.3358 2.5496 2.5496 3.1255 3.1255 3.8750 3.8750 4.2192 4.2192 8.5457 8.5457 9.0162 9.0162 9.6189 9.6189 10.1742 10.1742 k = 0.3444-0.1618-0.0645 ( 3483 PWs) bands (ev): -34.4030 -34.4030 -34.3980 -34.3980 -15.7084 -15.7084 -15.6768 -15.6768 -15.3627 -15.3627 -15.3250 -15.3250 -15.2675 -15.2675 -15.2589 -15.2589 -8.4709 -8.4709 -8.1192 -8.1192 0.9396 0.9396 1.4739 1.4739 2.0221 2.0221 2.3455 2.3455 2.5727 2.5727 3.1326 3.1326 3.8589 3.8589 4.2249 4.2249 8.5527 8.5527 9.0338 9.0338 9.5757 9.5757 10.1462 10.1462 k = 0.3333-0.1566-0.0624 ( 3476 PWs) bands (ev): -34.4033 -34.4033 -34.3981 -34.3981 -15.7086 -15.7086 -15.6752 -15.6752 -15.3629 -15.3629 -15.3235 -15.3235 -15.2657 -15.2657 -15.2572 -15.2572 -8.4756 -8.4756 -8.1217 -8.1217 0.9500 0.9500 1.4395 1.4395 2.0483 2.0483 2.3542 2.3542 2.5969 2.5969 3.1401 3.1401 3.8416 3.8416 4.2316 4.2316 8.5604 8.5604 9.0513 9.0513 9.5322 9.5322 10.1158 10.1158 k = 0.3222-0.1513-0.0603 ( 3476 PWs) bands (ev): -34.4036 -34.4036 -34.3982 -34.3982 -15.7087 -15.7087 -15.6736 -15.6736 -15.3631 -15.3631 -15.3221 -15.3221 -15.2637 -15.2637 -15.2554 -15.2554 -8.4806 -8.4806 -8.1243 -8.1243 0.9599 0.9599 1.4070 1.4070 2.0749 2.0749 2.3621 2.3621 2.6219 2.6219 3.1481 3.1481 3.8230 3.8230 4.2394 4.2394 8.5686 8.5686 9.0686 9.0686 9.4884 9.4884 10.0806 10.0806 k = 0.3111-0.1461-0.0583 ( 3478 PWs) bands (ev): -34.4039 -34.4039 -34.3983 -34.3983 -15.7089 -15.7089 -15.6720 -15.6720 -15.3633 -15.3633 -15.3207 -15.3207 -15.2616 -15.2616 -15.2534 -15.2534 -8.4859 -8.4859 -8.1268 -8.1268 0.9684 0.9684 1.3773 1.3773 2.1018 2.1018 2.3693 2.3693 2.6477 2.6477 3.1565 3.1565 3.8033 3.8033 4.2482 4.2482 8.5772 8.5772 9.0854 9.0854 9.4444 9.4444 10.0319 10.0319 k = 0.3000-0.1409-0.0562 ( 3477 PWs) bands (ev): -34.4043 -34.4043 -34.3984 -34.3984 -15.7090 -15.7090 -15.6704 -15.6704 -15.3634 -15.3634 -15.3193 -15.3193 -15.2595 -15.2595 -15.2513 -15.2513 -8.4914 -8.4914 -8.1294 -8.1294 0.9744 0.9744 1.3520 1.3520 2.1286 2.1286 2.3759 2.3759 2.6741 2.6741 3.1654 3.1654 3.7824 3.7824 4.2579 4.2579 8.5862 8.5862 9.1015 9.1015 9.4001 9.4001 9.9713 9.9713 k = 0.2889-0.1357-0.0541 ( 3478 PWs) bands (ev): -34.4046 -34.4046 -34.3985 -34.3985 -15.7092 -15.7092 -15.6688 -15.6688 -15.3636 -15.3636 -15.3179 -15.3179 -15.2573 -15.2573 -15.2491 -15.2491 -8.4972 -8.4972 -8.1318 -8.1318 0.9762 0.9762 1.3327 1.3327 2.1552 2.1552 2.3819 2.3819 2.7009 2.7009 3.1746 3.1746 3.7605 3.7605 4.2685 4.2685 8.5953 8.5953 9.1168 9.1168 9.3556 9.3556 9.9075 9.9075 k = 0.2778-0.1305-0.0520 ( 3479 PWs) bands (ev): -34.4049 -34.4049 -34.3986 -34.3986 -15.7094 -15.7094 -15.6671 -15.6671 -15.3637 -15.3637 -15.3165 -15.3165 -15.2550 -15.2550 -15.2468 -15.2468 -8.5031 -8.5031 -8.1343 -8.1343 0.9726 0.9726 1.3209 1.3209 2.1812 2.1812 2.3875 2.3875 2.7280 2.7280 3.1841 3.1841 3.7376 3.7376 4.2799 4.2799 8.6044 8.6044 9.1309 9.1309 9.3108 9.3108 9.8429 9.8429 k = 0.2667-0.1252-0.0499 ( 3482 PWs) bands (ev): -34.4053 -34.4053 -34.3988 -34.3988 -15.7096 -15.7096 -15.6655 -15.6655 -15.3639 -15.3639 -15.3152 -15.3152 -15.2528 -15.2528 -15.2444 -15.2444 -8.5093 -8.5093 -8.1366 -8.1366 0.9624 0.9624 1.3178 1.3178 2.2066 2.2066 2.3928 2.3928 2.7554 2.7554 3.1940 3.1940 3.7138 3.7138 4.2919 4.2919 8.6132 8.6132 9.1434 9.1434 9.2662 9.2662 9.7785 9.7785 k = 0.2556-0.1200-0.0478 ( 3483 PWs) bands (ev): -34.4056 -34.4056 -34.3989 -34.3989 -15.7098 -15.7098 -15.6639 -15.6639 -15.3640 -15.3640 -15.3140 -15.3140 -15.2504 -15.2504 -15.2418 -15.2418 -8.5156 -8.5156 -8.1388 -8.1388 0.9457 0.9457 1.3235 1.3235 2.2310 2.2310 2.3978 2.3978 2.7829 2.7829 3.2042 3.2042 3.6893 3.6893 4.3044 4.3044 8.6215 8.6215 9.1522 9.1522 9.2237 9.2237 9.7148 9.7148 k = 0.2444-0.1148-0.0458 ( 3483 PWs) bands (ev): -34.4059 -34.4059 -34.3990 -34.3990 -15.7100 -15.7100 -15.6623 -15.6623 -15.3641 -15.3641 -15.3127 -15.3127 -15.2481 -15.2481 -15.2392 -15.2392 -8.5220 -8.5220 -8.1409 -8.1409 0.9235 0.9235 1.3370 1.3370 2.2543 2.2543 2.4027 2.4027 2.8105 2.8105 3.2146 3.2146 3.6641 3.6641 4.3173 4.3173 8.6288 8.6288 9.1453 9.1453 9.1952 9.1952 9.6523 9.6523 k = 0.2333-0.1096-0.0437 ( 3486 PWs) bands (ev): -34.4063 -34.4063 -34.3991 -34.3991 -15.7103 -15.7103 -15.6608 -15.6608 -15.3642 -15.3642 -15.3116 -15.3116 -15.2458 -15.2458 -15.2365 -15.2365 -8.5285 -8.5285 -8.1429 -8.1429 0.8972 0.8972 1.3572 1.3572 2.2761 2.2761 2.4077 2.4077 2.8381 2.8381 3.2250 3.2250 3.6384 3.6384 4.3305 4.3305 8.6350 8.6350 9.1090 9.1090 9.1943 9.1943 9.5913 9.5913 k = 0.2222-0.1044-0.0416 ( 3486 PWs) bands (ev): -34.4066 -34.4066 -34.3993 -34.3993 -15.7105 -15.7105 -15.6593 -15.6593 -15.3643 -15.3643 -15.3105 -15.3105 -15.2434 -15.2434 -15.2338 -15.2338 -8.5351 -8.5351 -8.1448 -8.1448 0.8679 0.8679 1.3827 1.3827 2.2961 2.2961 2.4130 2.4130 2.8655 2.8655 3.2354 3.2354 3.6123 3.6123 4.3437 4.3437 8.6395 8.6395 9.0623 9.0623 9.2024 9.2024 9.5325 9.5325 k = 0.2111-0.0991-0.0395 ( 3485 PWs) bands (ev): -34.4069 -34.4069 -34.3994 -34.3994 -15.7108 -15.7108 -15.6578 -15.6578 -15.3644 -15.3644 -15.3094 -15.3094 -15.2411 -15.2411 -15.2310 -15.2310 -8.5418 -8.5418 -8.1465 -8.1465 0.8370 0.8370 1.4124 1.4124 2.3137 2.3137 2.4189 2.4189 2.8928 2.8928 3.2456 3.2456 3.5861 3.5861 4.3569 4.3569 8.6421 8.6421 9.0127 9.0127 9.2121 9.2121 9.4763 9.4763 k = 0.2000-0.0939-0.0374 ( 3484 PWs) bands (ev): -34.4072 -34.4072 -34.3995 -34.3995 -15.7110 -15.7110 -15.6563 -15.6563 -15.3645 -15.3645 -15.3084 -15.3084 -15.2389 -15.2389 -15.2281 -15.2281 -8.5484 -8.5484 -8.1481 -8.1481 0.8052 0.8052 1.4455 1.4455 2.3287 2.3287 2.4260 2.4260 2.9197 2.9197 3.2554 3.2554 3.5600 3.5600 4.3699 4.3699 8.6423 8.6423 8.9616 8.9616 9.2223 9.2223 9.4233 9.4233 k = 0.1889-0.0887-0.0354 ( 3479 PWs) bands (ev): -34.4075 -34.4075 -34.3997 -34.3997 -15.7113 -15.7113 -15.6549 -15.6549 -15.3645 -15.3645 -15.3074 -15.3074 -15.2366 -15.2366 -15.2253 -15.2253 -8.5550 -8.5550 -8.1495 -8.1495 0.7732 0.7732 1.4813 1.4813 2.3405 2.3405 2.4345 2.4345 2.9461 2.9461 3.2643 3.2643 3.5345 3.5345 4.3826 4.3826 8.6397 8.6397 8.9098 8.9098 9.2328 9.2328 9.3742 9.3742 k = 0.1778-0.0835-0.0333 ( 3478 PWs) bands (ev): -34.4078 -34.4078 -34.3998 -34.3998 -15.7115 -15.7115 -15.6536 -15.6536 -15.3646 -15.3646 -15.3065 -15.3065 -15.2344 -15.2344 -15.2225 -15.2225 -8.5615 -8.5615 -8.1508 -8.1508 0.7415 0.7415 1.5193 1.5193 2.3490 2.3490 2.4445 2.4445 2.9720 2.9720 3.2719 3.2719 3.5099 3.5099 4.3949 4.3949 8.6340 8.6340 8.8579 8.8579 9.2430 9.2430 9.3299 9.3299 k = 0.1667-0.0783-0.0312 ( 3475 PWs) bands (ev): -34.4081 -34.4081 -34.3999 -34.3999 -15.7118 -15.7118 -15.6523 -15.6523 -15.3646 -15.3646 -15.3057 -15.3057 -15.2322 -15.2322 -15.2198 -15.2198 -8.5678 -8.5678 -8.1519 -8.1519 0.7104 0.7104 1.5590 1.5590 2.3545 2.3545 2.4557 2.4557 2.9972 2.9972 3.2776 3.2776 3.4871 3.4871 4.4066 4.4066 8.6246 8.6246 8.8067 8.8067 9.2498 9.2498 9.2939 9.2939 k = 0.1556-0.0731-0.0291 ( 3480 PWs) bands (ev): -34.4083 -34.4083 -34.4001 -34.4001 -15.7121 -15.7121 -15.6511 -15.6511 -15.3647 -15.3647 -15.3049 -15.3049 -15.2302 -15.2302 -15.2172 -15.2172 -8.5740 -8.5740 -8.1530 -8.1530 0.6804 0.6804 1.6001 1.6001 2.3574 2.3574 2.4677 2.4677 3.0216 3.0216 3.2803 3.2803 3.4671 3.4671 4.4176 4.4176 8.6110 8.6110 8.7573 8.7573 9.2374 9.2374 9.2825 9.2825 k = 0.1444-0.0678-0.0270 ( 3475 PWs) bands (ev): -34.4086 -34.4086 -34.4002 -34.4002 -15.7124 -15.7124 -15.6500 -15.6500 -15.3647 -15.3647 -15.3042 -15.3042 -15.2282 -15.2282 -15.2146 -15.2146 -8.5800 -8.5800 -8.1538 -8.1538 0.6516 0.6516 1.6422 1.6422 2.3580 2.3580 2.4799 2.4799 3.0450 3.0450 3.2791 3.2791 3.4510 3.4510 4.4280 4.4280 8.5925 8.5925 8.7111 8.7111 9.2096 9.2096 9.2918 9.2918 k = 0.1333-0.0626-0.0250 ( 3468 PWs) bands (ev): -34.4088 -34.4088 -34.4003 -34.4003 -15.7126 -15.7126 -15.6489 -15.6489 -15.3647 -15.3647 -15.3035 -15.3035 -15.2263 -15.2263 -15.2121 -15.2121 -8.5857 -8.5857 -8.1546 -8.1546 0.6243 0.6243 1.6850 1.6850 2.3568 2.3568 2.4919 2.4919 3.0673 3.0673 3.2729 3.2729 3.4399 3.4399 4.4376 4.4376 8.5681 8.5681 8.6701 8.6701 9.1824 9.1824 9.3056 9.3056 k = 0.1222-0.0574-0.0229 ( 3470 PWs) bands (ev): -34.4091 -34.4091 -34.4004 -34.4004 -15.7129 -15.7129 -15.6479 -15.6479 -15.3647 -15.3647 -15.3029 -15.3029 -15.2245 -15.2245 -15.2098 -15.2098 -8.5912 -8.5912 -8.1553 -8.1553 0.5986 0.5986 1.7282 1.7282 2.3540 2.3540 2.5035 2.5035 3.0883 3.0883 3.2618 3.2618 3.4338 3.4338 4.4464 4.4464 8.5374 8.5374 8.6356 8.6356 9.1584 9.1584 9.3209 9.3209 k = 0.1111-0.0522-0.0208 ( 3474 PWs) bands (ev): -34.4093 -34.4093 -34.4005 -34.4005 -15.7131 -15.7131 -15.6470 -15.6470 -15.3648 -15.3648 -15.3023 -15.3023 -15.2228 -15.2228 -15.2076 -15.2076 -8.5963 -8.5963 -8.1559 -8.1559 0.5747 0.5747 1.7713 1.7713 2.3498 2.3498 2.5143 2.5143 3.1078 3.1078 3.2467 3.2467 3.4321 3.4321 4.4543 4.4543 8.5020 8.5020 8.6071 8.6071 9.1378 9.1378 9.3370 9.3370 k = 0.1000-0.0470-0.0187 ( 3474 PWs) bands (ev): -34.4095 -34.4095 -34.4006 -34.4006 -15.7133 -15.7133 -15.6462 -15.6462 -15.3648 -15.3648 -15.3018 -15.3018 -15.2213 -15.2213 -15.2055 -15.2055 -8.6011 -8.6011 -8.1563 -8.1563 0.5528 0.5528 1.8141 1.8141 2.3442 2.3442 2.5242 2.5242 3.1256 3.1256 3.2292 3.2292 3.4335 3.4335 4.4614 4.4614 8.4648 8.4648 8.5829 8.5829 9.1204 9.1204 9.3535 9.3535 k = 0.0889-0.0417-0.0166 ( 3476 PWs) bands (ev): -34.4096 -34.4096 -34.4007 -34.4007 -15.7136 -15.7136 -15.6454 -15.6454 -15.3648 -15.3648 -15.3014 -15.3014 -15.2199 -15.2199 -15.2037 -15.2037 -8.6054 -8.6054 -8.1567 -8.1567 0.5328 0.5328 1.8562 1.8562 2.3372 2.3372 2.5332 2.5332 3.1412 3.1412 3.2110 3.2110 3.4369 3.4369 4.4677 4.4677 8.4282 8.4282 8.5617 8.5617 9.1058 9.1058 9.3700 9.3700 k = 0.0778-0.0365-0.0146 ( 3475 PWs) bands (ev): -34.4098 -34.4098 -34.4007 -34.4007 -15.7138 -15.7138 -15.6447 -15.6447 -15.3648 -15.3648 -15.3010 -15.3010 -15.2186 -15.2186 -15.2020 -15.2020 -8.6093 -8.6093 -8.1571 -8.1571 0.5150 0.5150 1.8971 1.8971 2.3288 2.3288 2.5412 2.5412 3.1529 3.1529 3.1948 3.1948 3.4412 3.4412 4.4732 4.4732 8.3937 8.3937 8.5427 8.5427 9.0937 9.0937 9.3860 9.3860 k = 0.0667-0.0313-0.0125 ( 3470 PWs) bands (ev): -34.4099 -34.4099 -34.4008 -34.4008 -15.7139 -15.7139 -15.6442 -15.6442 -15.3648 -15.3648 -15.3007 -15.3007 -15.2174 -15.2174 -15.2005 -15.2005 -8.6128 -8.6128 -8.1573 -8.1573 0.4994 0.4994 1.9364 1.9364 2.3192 2.3192 2.5481 2.5481 3.1551 3.1551 3.1871 3.1871 3.4459 3.4459 4.4778 4.4778 8.3625 8.3625 8.5259 8.5259 9.0839 9.0839 9.4012 9.4012 k = 0.0556-0.0261-0.0104 ( 3472 PWs) bands (ev): -34.4100 -34.4100 -34.4009 -34.4009 -15.7141 -15.7141 -15.6437 -15.6437 -15.3648 -15.3648 -15.3004 -15.3004 -15.2165 -15.2165 -15.1992 -15.1992 -8.6157 -8.6157 -8.1575 -8.1575 0.4861 0.4861 1.9734 1.9734 2.3083 2.3083 2.5539 2.5539 3.1453 3.1453 3.1912 3.1912 3.4504 3.4504 4.4817 4.4817 8.3352 8.3352 8.5113 8.5113 9.0760 9.0760 9.4150 9.4150 k = 0.0444-0.0209-0.0083 ( 3473 PWs) bands (ev): -34.4101 -34.4101 -34.4009 -34.4009 -15.7142 -15.7142 -15.6433 -15.6433 -15.3648 -15.3648 -15.3002 -15.3002 -15.2157 -15.2157 -15.1982 -15.1982 -8.6182 -8.6182 -8.1577 -8.1577 0.4751 0.4751 2.0075 2.0075 2.2965 2.2965 2.5587 2.5587 3.1326 3.1326 3.1984 3.1984 3.4545 3.4545 4.4848 4.4848 8.3123 8.3123 8.4991 8.4991 9.0698 9.0698 9.4270 9.4270 k = 0.0333-0.0157-0.0062 ( 3472 PWs) bands (ev): -34.4102 -34.4102 -34.4010 -34.4010 -15.7143 -15.7143 -15.6429 -15.6429 -15.3648 -15.3648 -15.3000 -15.3000 -15.2150 -15.2150 -15.1974 -15.1974 -8.6201 -8.6201 -8.1578 -8.1578 0.4665 0.4665 2.0374 2.0374 2.2844 2.2844 2.5624 2.5624 3.1213 3.1213 3.2049 3.2049 3.4578 3.4578 4.4872 4.4872 8.2941 8.2941 8.4893 8.4893 9.0651 9.0651 9.4369 9.4369 k = 0.0222-0.0104-0.0042 ( 3469 PWs) bands (ev): -34.4103 -34.4103 -34.4010 -34.4010 -15.7144 -15.7144 -15.6427 -15.6427 -15.3648 -15.3648 -15.2998 -15.2998 -15.2146 -15.2146 -15.1967 -15.1967 -8.6215 -8.6215 -8.1579 -8.1579 0.4603 0.4603 2.0616 2.0616 2.2733 2.2733 2.5650 2.5650 3.1127 3.1127 3.2098 3.2098 3.4603 3.4603 4.4889 4.4889 8.2810 8.2810 8.4823 8.4823 9.0619 9.0619 9.4442 9.4442 k = 0.0111-0.0052-0.0021 ( 3470 PWs) bands (ev): -34.4103 -34.4103 -34.4010 -34.4010 -15.7144 -15.7144 -15.6426 -15.6426 -15.3648 -15.3648 -15.2998 -15.2998 -15.2143 -15.2143 -15.1964 -15.1964 -8.6224 -8.6224 -8.1579 -8.1579 0.4566 0.4566 2.0779 2.0779 2.2650 2.2650 2.5665 2.5665 3.1073 3.1073 3.2128 3.2128 3.4619 3.4619 4.4899 4.4899 8.2730 8.2730 8.4780 8.4780 9.0600 9.0600 9.4487 9.4487 k = 0.0000 0.0000 0.0000 ( 3469 PWs) bands (ev): -34.4103 -34.4103 -34.4010 -34.4010 -15.7144 -15.7144 -15.6425 -15.6425 -15.3648 -15.3648 -15.2997 -15.2997 -15.2142 -15.2142 -15.1963 -15.1963 -8.6226 -8.6226 -8.1579 -8.1579 0.4554 0.4554 2.0838 2.0838 2.2618 2.2618 2.5670 2.5670 3.1055 3.1055 3.2138 3.2138 3.4624 3.4624 4.4903 4.4903 8.2704 8.2704 8.4766 8.4766 9.0594 9.0594 9.4502 9.4502 k = 0.0000 0.0000 0.0000 ( 3469 PWs) bands (ev): -34.4103 -34.4103 -34.4010 -34.4010 -15.7144 -15.7144 -15.6425 -15.6425 -15.3648 -15.3648 -15.2997 -15.2997 -15.2142 -15.2142 -15.1963 -15.1963 -8.6226 -8.6226 -8.1579 -8.1579 0.4554 0.4554 2.0838 2.0838 2.2618 2.2618 2.5670 2.5670 3.1055 3.1055 3.2138 3.2138 3.4624 3.4624 4.4903 4.4903 8.2704 8.2704 8.4766 8.4766 9.0594 9.0594 9.4502 9.4502 k = 0.0000 0.0121-0.0022 ( 3468 PWs) bands (ev): -34.4103 -34.4103 -34.4010 -34.4010 -15.7144 -15.7144 -15.6426 -15.6426 -15.3648 -15.3648 -15.2998 -15.2998 -15.2143 -15.2143 -15.1963 -15.1963 -8.6224 -8.6224 -8.1579 -8.1579 0.4563 0.4563 2.0802 2.0802 2.2641 2.2641 2.5670 2.5670 3.1050 3.1050 3.2131 3.2131 3.4615 3.4615 4.4909 4.4909 8.2705 8.2705 8.4781 8.4781 9.0611 9.0611 9.4506 9.4506 k = 0.0000 0.0242-0.0044 ( 3468 PWs) bands (ev): -34.4103 -34.4103 -34.4010 -34.4010 -15.7144 -15.7144 -15.6427 -15.6427 -15.3649 -15.3649 -15.3000 -15.3000 -15.2144 -15.2144 -15.1965 -15.1965 -8.6216 -8.6216 -8.1579 -8.1579 0.4590 0.4590 2.0699 2.0699 2.2703 2.2703 2.5671 2.5671 3.1035 3.1035 3.2110 3.2110 3.4587 3.4587 4.4927 4.4927 8.2706 8.2706 8.4826 8.4826 9.0660 9.0660 9.4518 9.4518 k = 0.0000 0.0362-0.0066 ( 3468 PWs) bands (ev): -34.4102 -34.4102 -34.4010 -34.4010 -15.7143 -15.7143 -15.6430 -15.6430 -15.3650 -15.3650 -15.3003 -15.3003 -15.2146 -15.2146 -15.1967 -15.1967 -8.6203 -8.6203 -8.1578 -8.1578 0.4636 0.4636 2.0544 2.0544 2.2793 2.2793 2.5671 2.5671 3.1008 3.1008 3.2077 3.2077 3.4541 3.4541 4.4958 4.4958 8.2706 8.2706 8.4904 8.4904 9.0742 9.0742 9.4536 9.4536 k = 0.0000 0.0483-0.0088 ( 3469 PWs) bands (ev): -34.4102 -34.4102 -34.4009 -34.4009 -15.7142 -15.7142 -15.6434 -15.6434 -15.3652 -15.3652 -15.3007 -15.3007 -15.2150 -15.2150 -15.1971 -15.1971 -8.6185 -8.6185 -8.1578 -8.1578 0.4699 0.4699 2.0349 2.0349 2.2894 2.2894 2.5672 2.5672 3.0969 3.0969 3.2034 3.2034 3.4479 3.4479 4.4998 4.4998 8.2701 8.2701 8.5015 8.5015 9.0856 9.0856 9.4557 9.4557 k = 0.0000 0.0604-0.0110 ( 3470 PWs) bands (ev): -34.4101 -34.4101 -34.4009 -34.4009 -15.7141 -15.7141 -15.6438 -15.6438 -15.3654 -15.3654 -15.3013 -15.3013 -15.2154 -15.2154 -15.1975 -15.1975 -8.6163 -8.6163 -8.1576 -8.1576 0.4780 0.4780 2.0126 2.0126 2.2998 2.2998 2.5673 2.5673 3.0914 3.0914 3.1984 3.1984 3.4404 3.4404 4.5047 4.5047 8.2688 8.2688 8.5161 8.5161 9.1002 9.1002 9.4577 9.4577 k = 0.0000 0.0725-0.0132 ( 3473 PWs) bands (ev): -34.4100 -34.4100 -34.4008 -34.4008 -15.7140 -15.7140 -15.6444 -15.6444 -15.3657 -15.3657 -15.3020 -15.3020 -15.2159 -15.2159 -15.1981 -15.1981 -8.6135 -8.6135 -8.1575 -8.1575 0.4879 0.4879 1.9881 1.9881 2.3094 2.3094 2.5673 2.5673 3.0843 3.0843 3.1931 3.1931 3.4318 3.4318 4.5104 4.5104 8.2662 8.2662 8.5344 8.5344 9.1179 9.1179 9.4594 9.4594 k = 0.0000 0.0845-0.0154 ( 3474 PWs) bands (ev): -34.4099 -34.4099 -34.4008 -34.4008 -15.7139 -15.7139 -15.6451 -15.6451 -15.3661 -15.3661 -15.3028 -15.3028 -15.2164 -15.2164 -15.1987 -15.1987 -8.6103 -8.6103 -8.1573 -8.1573 0.4994 0.4994 1.9622 1.9622 2.3179 2.3179 2.5674 2.5674 3.0751 3.0751 3.1879 3.1879 3.4225 3.4225 4.5165 4.5165 8.2621 8.2621 8.5562 8.5562 9.1385 9.1385 9.4604 9.4604 k = 0.0000 0.0966-0.0176 ( 3477 PWs) bands (ev): -34.4098 -34.4098 -34.4007 -34.4007 -15.7137 -15.7137 -15.6459 -15.6459 -15.3665 -15.3665 -15.3037 -15.3037 -15.2171 -15.2171 -15.1994 -15.1994 -8.6067 -8.6067 -8.1571 -8.1571 0.5125 0.5125 1.9351 1.9351 2.3246 2.3246 2.5676 2.5676 3.0637 3.0637 3.1831 3.1831 3.4128 3.4128 4.5229 4.5229 8.2564 8.2564 8.5815 8.5815 9.1616 9.1616 9.4607 9.4607 k = 0.0000 0.1087-0.0198 ( 3477 PWs) bands (ev): -34.4096 -34.4096 -34.4006 -34.4006 -15.7136 -15.7136 -15.6467 -15.6467 -15.3669 -15.3669 -15.3047 -15.3047 -15.2178 -15.2178 -15.2002 -15.2002 -8.6027 -8.6027 -8.1568 -8.1568 0.5271 0.5271 1.9073 1.9073 2.3294 2.3294 2.5677 2.5677 3.0500 3.0500 3.1789 3.1789 3.4030 3.4030 4.5294 4.5294 8.2490 8.2490 8.6102 8.6102 9.1866 9.1866 9.4605 9.4605 k = 0.0000 0.1208-0.0220 ( 3474 PWs) bands (ev): -34.4095 -34.4095 -34.4006 -34.4006 -15.7134 -15.7134 -15.6477 -15.6477 -15.3673 -15.3673 -15.3058 -15.3058 -15.2185 -15.2185 -15.2010 -15.2010 -8.5982 -8.5982 -8.1564 -8.1564 0.5431 0.5431 1.8790 1.8790 2.3320 2.3320 2.5679 2.5679 3.0340 3.0340 3.1755 3.1755 3.3935 3.3935 4.5358 4.5358 8.2398 8.2398 8.6420 8.6420 9.2126 9.2126 9.4605 9.4605 k = 0.0000 0.1328-0.0242 ( 3475 PWs) bands (ev): -34.4093 -34.4093 -34.4005 -34.4005 -15.7132 -15.7132 -15.6487 -15.6487 -15.3678 -15.3678 -15.3071 -15.3071 -15.2193 -15.2193 -15.2020 -15.2020 -8.5935 -8.5935 -8.1560 -8.1560 0.5606 0.5606 1.8504 1.8504 2.3321 2.3321 2.5681 2.5681 3.0158 3.0158 3.1726 3.1726 3.3848 3.3848 4.5418 4.5418 8.2289 8.2289 8.6766 8.6766 9.2380 9.2380 9.4621 9.4621 k = 0.0000 0.1449-0.0264 ( 3472 PWs) bands (ev): -34.4091 -34.4091 -34.4004 -34.4004 -15.7130 -15.7130 -15.6498 -15.6498 -15.3683 -15.3683 -15.3084 -15.3084 -15.2202 -15.2202 -15.2029 -15.2029 -8.5884 -8.5884 -8.1554 -8.1554 0.5792 0.5792 1.8217 1.8217 2.3298 2.3298 2.5685 2.5685 2.9957 2.9957 3.1701 3.1701 3.3773 3.3773 4.5474 4.5474 8.2165 8.2165 8.7139 8.7139 9.2606 9.2606 9.4673 9.4673 k = 0.0000 0.1570-0.0286 ( 3474 PWs) bands (ev): -34.4089 -34.4089 -34.4003 -34.4003 -15.7128 -15.7128 -15.6511 -15.6511 -15.3689 -15.3689 -15.3099 -15.3099 -15.2211 -15.2211 -15.2039 -15.2039 -8.5831 -8.5831 -8.1548 -8.1548 0.5990 0.5990 1.7933 1.7933 2.3248 2.3248 2.5689 2.5689 2.9739 2.9739 3.1676 3.1676 3.3715 3.3715 4.5523 4.5523 8.2025 8.2025 8.7536 8.7536 9.2777 9.2777 9.4788 9.4788 k = 0.0000 0.1691-0.0308 ( 3472 PWs) bands (ev): -34.4087 -34.4087 -34.4002 -34.4002 -15.7126 -15.7126 -15.6524 -15.6524 -15.3694 -15.3694 -15.3114 -15.3114 -15.2221 -15.2221 -15.2050 -15.2050 -8.5775 -8.5775 -8.1541 -8.1541 0.6198 0.6198 1.7652 1.7652 2.3173 2.3173 2.5694 2.5694 2.9506 2.9506 3.1647 3.1647 3.3677 3.3677 4.5565 4.5565 8.1872 8.1872 8.7954 8.7954 9.2871 9.2871 9.4984 9.4984 k = 0.0000 0.1811-0.0330 ( 3476 PWs) bands (ev): -34.4085 -34.4085 -34.4000 -34.4000 -15.7124 -15.7124 -15.6538 -15.6538 -15.3700 -15.3700 -15.3130 -15.3130 -15.2231 -15.2231 -15.2061 -15.2061 -8.5717 -8.5717 -8.1533 -8.1533 0.6414 0.6414 1.7378 1.7378 2.3072 2.3072 2.5701 2.5701 2.9261 2.9261 3.1611 3.1611 3.3665 3.3665 4.5597 4.5597 8.1707 8.1707 8.8391 8.8391 9.2888 9.2888 9.5262 9.5262 k = 0.0000 0.1932-0.0352 ( 3477 PWs) bands (ev): -34.4083 -34.4083 -34.3999 -34.3999 -15.7122 -15.7122 -15.6552 -15.6552 -15.3706 -15.3706 -15.3147 -15.3147 -15.2241 -15.2241 -15.2072 -15.2072 -8.5658 -8.5658 -8.1524 -8.1524 0.6637 0.6637 1.7111 1.7111 2.2947 2.2947 2.5708 2.5708 2.9005 2.9005 3.1564 3.1564 3.3681 3.3681 4.5619 4.5619 8.1532 8.1532 8.8844 8.8844 9.2842 9.2842 9.5605 9.5605 k = 0.0000 0.2053-0.0374 ( 3472 PWs) bands (ev): -34.4081 -34.4081 -34.3998 -34.3998 -15.7120 -15.7120 -15.6567 -15.6567 -15.3712 -15.3712 -15.3164 -15.3164 -15.2251 -15.2251 -15.2083 -15.2083 -8.5597 -8.5597 -8.1513 -8.1513 0.6865 0.6865 1.6856 1.6856 2.2799 2.2799 2.5717 2.5717 2.8739 2.8739 3.1505 3.1505 3.3727 3.3727 4.5630 4.5630 8.1349 8.1349 8.9308 8.9308 9.2754 9.2754 9.5994 9.5994 k = 0.0000 0.2174-0.0396 ( 3475 PWs) bands (ev): -34.4078 -34.4078 -34.3997 -34.3997 -15.7118 -15.7118 -15.6583 -15.6583 -15.3719 -15.3719 -15.3183 -15.3183 -15.2261 -15.2261 -15.2095 -15.2095 -8.5535 -8.5535 -8.1502 -8.1502 0.7096 0.7096 1.6614 1.6614 2.2630 2.2630 2.5726 2.5726 2.8466 2.8466 3.1434 3.1434 3.3801 3.3801 4.5629 4.5629 8.1159 8.1159 8.9776 8.9776 9.2646 9.2646 9.6410 9.6410 k = 0.0000 0.2294-0.0418 ( 3479 PWs) bands (ev): -34.4076 -34.4076 -34.3996 -34.3996 -15.7116 -15.7116 -15.6599 -15.6599 -15.3725 -15.3725 -15.3201 -15.3201 -15.2272 -15.2272 -15.2107 -15.2107 -8.5473 -8.5473 -8.1489 -8.1489 0.7327 0.7327 1.6388 1.6388 2.2443 2.2443 2.5736 2.5736 2.8187 2.8187 3.1351 3.1351 3.3903 3.3903 4.5615 4.5615 8.0963 8.0963 9.0234 9.0234 9.2539 9.2539 9.6839 9.6839 k = 0.0000 0.2415-0.0440 ( 3481 PWs) bands (ev): -34.4073 -34.4073 -34.3995 -34.3995 -15.7115 -15.7115 -15.6616 -15.6616 -15.3731 -15.3731 -15.3221 -15.3221 -15.2283 -15.2283 -15.2118 -15.2118 -8.5411 -8.5411 -8.1475 -8.1475 0.7556 0.7556 1.6180 1.6180 2.2239 2.2239 2.5747 2.5747 2.7901 2.7901 3.1260 3.1260 3.4031 3.4031 4.5589 4.5589 8.0763 8.0763 9.0652 9.0652 9.2471 9.2471 9.7273 9.7273 k = 0.0000 0.2536-0.0462 ( 3481 PWs) bands (ev): -34.4071 -34.4071 -34.3993 -34.3993 -15.7113 -15.7113 -15.6633 -15.6633 -15.3737 -15.3737 -15.3240 -15.3240 -15.2293 -15.2293 -15.2130 -15.2130 -8.5349 -8.5349 -8.1460 -8.1460 0.7781 0.7781 1.5994 1.5994 2.2021 2.2021 2.5758 2.5758 2.7610 2.7610 3.1161 3.1161 3.4181 3.4181 4.5549 4.5549 8.0562 8.0562 9.0965 9.0965 9.2510 9.2510 9.7703 9.7703 k = 0.0000 0.2657-0.0484 ( 3479 PWs) bands (ev): -34.4068 -34.4068 -34.3992 -34.3992 -15.7112 -15.7112 -15.6650 -15.6650 -15.3743 -15.3743 -15.3260 -15.3260 -15.2303 -15.2303 -15.2141 -15.2141 -8.5287 -8.5287 -8.1443 -8.1443 0.7999 0.7999 1.5833 1.5833 2.1792 2.1792 2.5769 2.5769 2.7315 2.7315 3.1057 3.1057 3.4350 3.4350 4.5497 4.5497 8.0359 8.0359 9.1098 9.1098 9.2734 9.2734 9.8123 9.8123 k = 0.0000 0.2777-0.0506 ( 3479 PWs) bands (ev): -34.4066 -34.4066 -34.3991 -34.3991 -15.7110 -15.7110 -15.6668 -15.6668 -15.3748 -15.3748 -15.3280 -15.3280 -15.2313 -15.2313 -15.2153 -15.2153 -8.5227 -8.5227 -8.1426 -8.1426 0.8206 0.8206 1.5699 1.5699 2.1554 2.1554 2.5780 2.5780 2.7016 2.7016 3.0949 3.0949 3.4537 3.4537 4.5431 4.5431 8.0158 8.0158 9.1061 9.1061 9.3132 9.3132 9.8529 9.8529 k = 0.0000 0.2898-0.0528 ( 3480 PWs) bands (ev): -34.4063 -34.4063 -34.3989 -34.3989 -15.7110 -15.7110 -15.6686 -15.6686 -15.3754 -15.3754 -15.3300 -15.3300 -15.2323 -15.2323 -15.2164 -15.2164 -8.5167 -8.5167 -8.1407 -8.1407 0.8399 0.8399 1.5596 1.5596 2.1309 2.1309 2.5791 2.5791 2.6713 2.6713 3.0839 3.0839 3.4739 3.4739 4.5352 4.5352 7.9958 7.9958 9.0930 9.0930 9.3633 9.3633 9.8915 9.8915 k = 0.0000 0.3019-0.0550 ( 3476 PWs) bands (ev): -34.4061 -34.4061 -34.3988 -34.3988 -15.7108 -15.7108 -15.6704 -15.6704 -15.3759 -15.3759 -15.3320 -15.3320 -15.2332 -15.2332 -15.2175 -15.2175 -8.5109 -8.5109 -8.1387 -8.1387 0.8577 0.8577 1.5525 1.5525 2.1059 2.1059 2.5800 2.5800 2.6409 2.6409 3.0729 3.0729 3.4953 3.4953 4.5260 4.5260 7.9761 7.9761 9.0753 9.0753 9.4186 9.4186 9.9279 9.9279 k = 0.0000 0.3140-0.0572 ( 3475 PWs) bands (ev): -34.4058 -34.4058 -34.3987 -34.3987 -15.7108 -15.7108 -15.6722 -15.6722 -15.3764 -15.3764 -15.3340 -15.3340 -15.2341 -15.2341 -15.2185 -15.2185 -8.5053 -8.5053 -8.1367 -8.1367 0.8736 0.8736 1.5490 1.5490 2.0807 2.0807 2.5806 2.5806 2.6105 2.6105 3.0619 3.0619 3.5179 3.5179 4.5155 4.5155 7.9569 7.9569 9.0555 9.0555 9.4768 9.4768 9.9619 9.9619 k = 0.0000 0.3260-0.0594 ( 3470 PWs) bands (ev): -34.4055 -34.4055 -34.3986 -34.3986 -15.7107 -15.7107 -15.6740 -15.6740 -15.3768 -15.3768 -15.3359 -15.3359 -15.2350 -15.2350 -15.2195 -15.2195 -8.4998 -8.4998 -8.1346 -8.1346 0.8875 0.8875 1.5491 1.5491 2.0554 2.0554 2.5743 2.5743 2.5867 2.5867 3.0510 3.0510 3.5414 3.5414 4.5038 4.5038 7.9382 7.9382 9.0346 9.0346 9.5365 9.5365 9.9933 9.9933 k = 0.0000 0.3381-0.0616 ( 3468 PWs) bands (ev): -34.4053 -34.4053 -34.3985 -34.3985 -15.7106 -15.7106 -15.6757 -15.6757 -15.3772 -15.3772 -15.3379 -15.3379 -15.2358 -15.2358 -15.2205 -15.2205 -8.4946 -8.4946 -8.1325 -8.1325 0.8993 0.8993 1.5530 1.5530 2.0303 2.0303 2.5459 2.5459 2.5847 2.5847 3.0403 3.0403 3.5657 3.5657 4.4909 4.4909 7.9201 7.9201 9.0134 9.0134 9.5971 9.5971 10.0224 10.0224 k = 0.0000 0.3502-0.0638 ( 3471 PWs) bands (ev): -34.4051 -34.4051 -34.3984 -34.3984 -15.7106 -15.7106 -15.6775 -15.6775 -15.3776 -15.3776 -15.3398 -15.3398 -15.2366 -15.2366 -15.2215 -15.2215 -8.4897 -8.4897 -8.1303 -8.1303 0.9090 0.9090 1.5605 1.5605 2.0055 2.0055 2.5147 2.5147 2.5854 2.5854 3.0300 3.0300 3.5907 3.5907 4.4769 4.4769 7.9027 7.9027 8.9923 8.9923 9.6577 9.6577 10.0492 10.0492 k = 0.0000 0.3623-0.0660 ( 3469 PWs) bands (ev): -34.4048 -34.4048 -34.3983 -34.3983 -15.7105 -15.7105 -15.6792 -15.6792 -15.3779 -15.3779 -15.3417 -15.3417 -15.2373 -15.2373 -15.2224 -15.2224 -8.4849 -8.4849 -8.1281 -8.1281 0.9167 0.9167 1.5716 1.5716 1.9812 1.9812 2.4830 2.4830 2.5862 2.5862 3.0199 3.0199 3.6162 3.6162 4.4618 4.4618 7.8860 7.8860 8.9715 8.9715 9.7176 9.7176 10.0745 10.0745 k = 0.0000 0.3743-0.0682 ( 3472 PWs) bands (ev): -34.4046 -34.4046 -34.3982 -34.3982 -15.7105 -15.7105 -15.6809 -15.6809 -15.3782 -15.3782 -15.3435 -15.3435 -15.2380 -15.2380 -15.2233 -15.2233 -8.4804 -8.4804 -8.1260 -8.1260 0.9224 0.9224 1.5859 1.5859 1.9576 1.9576 2.4511 2.4511 2.5871 2.5871 3.0103 3.0103 3.6421 3.6421 4.4457 4.4457 7.8702 7.8702 8.9513 8.9513 9.7760 9.7760 10.0988 10.0988 k = 0.0000 0.3864-0.0704 ( 3470 PWs) bands (ev): -34.4044 -34.4044 -34.3981 -34.3981 -15.7104 -15.7104 -15.6825 -15.6825 -15.3784 -15.3784 -15.3452 -15.3452 -15.2387 -15.2387 -15.2242 -15.2242 -8.4762 -8.4762 -8.1238 -8.1238 0.9266 0.9266 1.6032 1.6032 1.9348 1.9348 2.4191 2.4191 2.5879 2.5879 3.0011 3.0011 3.6683 3.6683 4.4288 4.4288 7.8553 7.8553 8.9319 8.9319 9.8319 9.8319 10.1231 10.1231 k = 0.0000 0.3985-0.0726 ( 3471 PWs) bands (ev): -34.4042 -34.4042 -34.3980 -34.3980 -15.7104 -15.7104 -15.6841 -15.6841 -15.3786 -15.3786 -15.3469 -15.3469 -15.2392 -15.2392 -15.2250 -15.2250 -8.4723 -8.4723 -8.1217 -8.1217 0.9293 0.9293 1.6232 1.6232 1.9131 1.9131 2.3869 2.3869 2.5887 2.5887 2.9923 2.9923 3.6947 3.6947 4.4110 4.4110 7.8414 7.8414 8.9134 8.9134 9.8841 9.8841 10.1484 10.1484 k = 0.0000 0.4106-0.0748 ( 3471 PWs) bands (ev): -34.4040 -34.4040 -34.3979 -34.3979 -15.7103 -15.7103 -15.6856 -15.6856 -15.3787 -15.3787 -15.3486 -15.3486 -15.2398 -15.2398 -15.2257 -15.2257 -8.4687 -8.4687 -8.1197 -8.1197 0.9309 0.9309 1.6453 1.6453 1.8926 1.8926 2.3546 2.3546 2.5895 2.5895 2.9841 2.9841 3.7211 3.7211 4.3926 4.3926 7.8284 7.8284 8.8960 8.8960 9.9313 9.9313 10.1757 10.1757 k = 0.0000 0.4226-0.0770 ( 3470 PWs) bands (ev): -34.4038 -34.4038 -34.3978 -34.3978 -15.7103 -15.7103 -15.6870 -15.6870 -15.3788 -15.3788 -15.3501 -15.3501 -15.2403 -15.2403 -15.2264 -15.2264 -8.4654 -8.4654 -8.1178 -8.1178 0.9317 0.9317 1.6693 1.6693 1.8736 1.8736 2.3223 2.3223 2.5902 2.5902 2.9765 2.9765 3.7474 3.7474 4.3736 4.3736 7.8165 7.8165 8.8797 8.8797 9.9724 9.9724 10.2057 10.2057 k = 0.0000 0.4347-0.0792 ( 3473 PWs) bands (ev): -34.4036 -34.4036 -34.3978 -34.3978 -15.7102 -15.7102 -15.6884 -15.6884 -15.3788 -15.3788 -15.3515 -15.3515 -15.2407 -15.2407 -15.2271 -15.2271 -8.4623 -8.4623 -8.1160 -8.1160 0.9318 0.9318 1.6945 1.6945 1.8563 1.8563 2.2899 2.2899 2.5908 2.5908 2.9695 2.9695 3.7734 3.7734 4.3542 4.3542 7.8056 7.8056 8.8648 8.8648 10.0070 10.0070 10.2383 10.2383 k = 0.0000 0.4468-0.0814 ( 3474 PWs) bands (ev): -34.4035 -34.4035 -34.3977 -34.3977 -15.7101 -15.7101 -15.6897 -15.6897 -15.3789 -15.3789 -15.3529 -15.3529 -15.2411 -15.2411 -15.2276 -15.2276 -8.4596 -8.4596 -8.1144 -8.1144 0.9315 0.9315 1.7203 1.7203 1.8412 1.8412 2.2576 2.2576 2.5914 2.5914 2.9631 2.9631 3.7989 3.7989 4.3346 4.3346 7.7958 7.7958 8.8512 8.8512 10.0354 10.0354 10.2725 10.2725 k = 0.0000 0.4589-0.0836 ( 3475 PWs) bands (ev): -34.4033 -34.4033 -34.3977 -34.3977 -15.7101 -15.7101 -15.6908 -15.6908 -15.3788 -15.3788 -15.3541 -15.3541 -15.2415 -15.2415 -15.2282 -15.2282 -8.4572 -8.4572 -8.1128 -8.1128 0.9309 0.9309 1.7455 1.7455 1.8295 1.8295 2.2253 2.2253 2.5919 2.5919 2.9574 2.9574 3.8236 3.8236 4.3151 4.3151 7.7871 7.7871 8.8390 8.8390 10.0585 10.0585 10.3066 10.3066 k = 0.0000 0.4709-0.0858 ( 3479 PWs) bands (ev): -34.4032 -34.4032 -34.3976 -34.3976 -15.7100 -15.7100 -15.6918 -15.6918 -15.3788 -15.3788 -15.3552 -15.3552 -15.2418 -15.2418 -15.2286 -15.2286 -8.4551 -8.4551 -8.1115 -8.1115 0.9302 0.9302 1.7664 1.7664 1.8245 1.8245 2.1932 2.1932 2.5924 2.5924 2.9523 2.9523 3.8473 3.8473 4.2960 4.2960 7.7795 7.7795 8.8284 8.8284 10.0771 10.0771 10.3389 10.3389 k = 0.0000 0.4830-0.0880 ( 3484 PWs) bands (ev): -34.4031 -34.4031 -34.3976 -34.3976 -15.7099 -15.7099 -15.6927 -15.6927 -15.3788 -15.3788 -15.3561 -15.3561 -15.2421 -15.2421 -15.2290 -15.2290 -8.4534 -8.4534 -8.1103 -8.1103 0.9295 0.9295 1.7758 1.7758 1.8333 1.8333 2.1614 2.1614 2.5928 2.5928 2.9480 2.9480 3.8693 3.8693 4.2778 4.2778 7.7731 7.7731 8.8193 8.8193 10.0921 10.0921 10.3678 10.3678 k = 0.0000 0.4951-0.0902 ( 3482 PWs) bands (ev): -34.4030 -34.4030 -34.3976 -34.3976 -15.7098 -15.7098 -15.6935 -15.6935 -15.3787 -15.3787 -15.3569 -15.3569 -15.2423 -15.2423 -15.2293 -15.2293 -8.4519 -8.4519 -8.1094 -8.1094 0.9288 0.9288 1.7746 1.7746 1.8547 1.8547 2.1302 2.1302 2.5931 2.5931 2.9445 2.9445 3.8893 3.8893 4.2610 4.2610 7.7679 7.7679 8.8118 8.8118 10.1041 10.1041 10.3923 10.3923 k = 0.0000 0.5072-0.0924 ( 3484 PWs) bands (ev): -34.4030 -34.4030 -34.3975 -34.3975 -15.7098 -15.7098 -15.6941 -15.6941 -15.3787 -15.3787 -15.3575 -15.3575 -15.2424 -15.2424 -15.2296 -15.2296 -8.4508 -8.4508 -8.1086 -8.1086 0.9282 0.9282 1.7703 1.7703 1.8804 1.8804 2.1001 2.1001 2.5934 2.5934 2.9417 2.9417 3.9063 3.9063 4.2464 4.2464 7.7637 7.7637 8.8059 8.8059 10.1132 10.1132 10.4115 10.4115 k = 0.0000 0.5193-0.0946 ( 3481 PWs) bands (ev): -34.4029 -34.4029 -34.3975 -34.3975 -15.7097 -15.7097 -15.6945 -15.6945 -15.3786 -15.3786 -15.3580 -15.3580 -15.2425 -15.2425 -15.2297 -15.2297 -8.4500 -8.4500 -8.1081 -8.1081 0.9278 0.9278 1.7664 1.7664 1.9060 1.9060 2.0723 2.0723 2.5936 2.5936 2.9397 2.9397 3.9196 3.9196 4.2349 4.2349 7.7608 7.7608 8.8017 8.8017 10.1197 10.1197 10.4253 10.4253 k = 0.0000 0.5313-0.0968 ( 3481 PWs) bands (ev): -34.4029 -34.4029 -34.3975 -34.3975 -15.7097 -15.7097 -15.6948 -15.6948 -15.3786 -15.3786 -15.3582 -15.3582 -15.2426 -15.2426 -15.2298 -15.2298 -8.4495 -8.4495 -8.1077 -8.1077 0.9275 0.9275 1.7638 1.7638 1.9272 1.9272 2.0500 2.0500 2.5937 2.5937 2.9385 2.9385 3.9281 3.9281 4.2275 4.2275 7.7590 7.7590 8.7991 8.7991 10.1236 10.1236 10.4336 10.4336 k = 0.0000 0.5434-0.0990 ( 3484 PWs) bands (ev): -34.4029 -34.4029 -34.3975 -34.3975 -15.7097 -15.7097 -15.6949 -15.6949 -15.3786 -15.3786 -15.3584 -15.3584 -15.2426 -15.2426 -15.2299 -15.2299 -8.4493 -8.4493 -8.1076 -8.1076 0.9274 0.9274 1.7629 1.7629 1.9364 1.9364 2.0405 2.0405 2.5937 2.5937 2.9381 2.9381 3.9310 3.9310 4.2249 4.2249 7.7584 7.7584 8.7983 8.7983 10.1249 10.1249 10.4363 10.4363 k = 0.5000 0.3086-0.1926 ( 3484 PWs) bands (ev): -34.3987 -34.3987 -34.3954 -34.3954 -15.7140 -15.7140 -15.7135 -15.7135 -15.3774 -15.3774 -15.3723 -15.3723 -15.2574 -15.2574 -15.2421 -15.2421 -8.4265 -8.4265 -8.0626 -8.0626 0.8156 0.8156 1.5790 1.5790 2.0897 2.0897 2.4349 2.4349 2.5755 2.5755 2.8215 2.8215 3.3228 3.3228 4.1123 4.1123 7.5083 7.5083 9.5604 9.5604 10.0449 10.0449 10.5330 10.5330 k = 0.4900 0.3024-0.1887 ( 3488 PWs) bands (ev): -34.3988 -34.3988 -34.3954 -34.3954 -15.7142 -15.7142 -15.7133 -15.7133 -15.3774 -15.3774 -15.3722 -15.3722 -15.2574 -15.2574 -15.2421 -15.2421 -8.4266 -8.4266 -8.0628 -8.0628 0.8165 0.8165 1.5787 1.5787 2.0901 2.0901 2.4355 2.4355 2.5739 2.5739 2.8183 2.8183 3.3268 3.3268 4.1130 4.1130 7.5095 7.5095 9.5602 9.5602 10.0376 10.0376 10.5381 10.5381 k = 0.4800 0.2962-0.1849 ( 3486 PWs) bands (ev): -34.3988 -34.3988 -34.3955 -34.3955 -15.7144 -15.7144 -15.7128 -15.7128 -15.3775 -15.3775 -15.3719 -15.3719 -15.2573 -15.2573 -15.2420 -15.2420 -8.4268 -8.4268 -8.0634 -8.0634 0.8194 0.8194 1.5779 1.5779 2.0916 2.0916 2.4372 2.4372 2.5690 2.5690 2.8093 2.8093 3.3385 3.3385 4.1153 4.1153 7.5129 7.5129 9.5597 9.5597 10.0169 10.0169 10.5517 10.5517 k = 0.4700 0.2901-0.1810 ( 3488 PWs) bands (ev): -34.3988 -34.3988 -34.3955 -34.3955 -15.7145 -15.7145 -15.7122 -15.7122 -15.3776 -15.3776 -15.3715 -15.3715 -15.2572 -15.2572 -15.2418 -15.2418 -8.4273 -8.4273 -8.0644 -8.0644 0.8241 0.8241 1.5765 1.5765 2.0940 2.0940 2.4400 2.4400 2.5607 2.5607 2.7962 2.7962 3.3566 3.3566 4.1192 4.1192 7.5186 7.5186 9.5587 9.5587 9.9860 9.9860 10.5700 10.5700 k = 0.4600 0.2839-0.1772 ( 3489 PWs) bands (ev): -34.3989 -34.3989 -34.3955 -34.3955 -15.7146 -15.7146 -15.7114 -15.7114 -15.3776 -15.3776 -15.3709 -15.3709 -15.2570 -15.2570 -15.2416 -15.2416 -8.4279 -8.4279 -8.0658 -8.0658 0.8308 0.8308 1.5745 1.5745 2.0974 2.0974 2.4437 2.4437 2.5485 2.5485 2.7810 2.7810 3.3792 3.3792 4.1247 4.1247 7.5267 7.5267 9.5570 9.5570 9.9482 9.9482 10.5882 10.5882 k = 0.4500 0.2777-0.1733 ( 3493 PWs) bands (ev): -34.3990 -34.3990 -34.3956 -34.3956 -15.7146 -15.7146 -15.7106 -15.7106 -15.3777 -15.3777 -15.3701 -15.3701 -15.2568 -15.2568 -15.2413 -15.2413 -8.4287 -8.4287 -8.0676 -8.0676 0.8393 0.8393 1.5716 1.5716 2.1017 2.1017 2.4480 2.4480 2.5326 2.5326 2.7658 2.7658 3.4049 3.4049 4.1317 4.1317 7.5370 7.5370 9.5540 9.5540 9.9067 9.9067 10.6019 10.6019 k = 0.4400 0.2715-0.1695 ( 3494 PWs) bands (ev): -34.3992 -34.3992 -34.3956 -34.3956 -15.7146 -15.7146 -15.7096 -15.7096 -15.3778 -15.3778 -15.3693 -15.3693 -15.2565 -15.2565 -15.2409 -15.2409 -8.4297 -8.4297 -8.0697 -8.0697 0.8496 0.8496 1.5678 1.5678 2.1070 2.1070 2.4518 2.4518 2.5140 2.5140 2.7522 2.7522 3.4322 3.4322 4.1404 4.1404 7.5497 7.5497 9.5492 9.5492 9.8639 9.8639 10.6074 10.6074 k = 0.4300 0.2654-0.1656 ( 3494 PWs) bands (ev): -34.3993 -34.3993 -34.3957 -34.3957 -15.7145 -15.7145 -15.7085 -15.7085 -15.3778 -15.3778 -15.3683 -15.3683 -15.2561 -15.2561 -15.2405 -15.2405 -8.4310 -8.4310 -8.0721 -8.0721 0.8618 0.8618 1.5628 1.5628 2.1130 2.1130 2.4513 2.4513 2.4971 2.4971 2.7410 2.7410 3.4600 3.4600 4.1507 4.1507 7.5647 7.5647 9.5416 9.5416 9.8222 9.8222 10.6028 10.6028 k = 0.4200 0.2592-0.1618 ( 3491 PWs) bands (ev): -34.3995 -34.3995 -34.3958 -34.3958 -15.7144 -15.7144 -15.7073 -15.7073 -15.3777 -15.3777 -15.3672 -15.3672 -15.2557 -15.2557 -15.2400 -15.2400 -8.4324 -8.4324 -8.0749 -8.0749 0.8757 0.8757 1.5566 1.5566 2.1200 2.1200 2.4379 2.4379 2.4913 2.4913 2.7324 2.7324 3.4873 3.4873 4.1626 4.1626 7.5820 7.5820 9.5299 9.5299 9.7837 9.7837 10.5870 10.5870 k = 0.4100 0.2530-0.1579 ( 3490 PWs) bands (ev): -34.3997 -34.3997 -34.3958 -34.3958 -15.7142 -15.7142 -15.7060 -15.7060 -15.3777 -15.3777 -15.3660 -15.3660 -15.2552 -15.2552 -15.2394 -15.2394 -8.4340 -8.4340 -8.0779 -8.0779 0.8913 0.8913 1.5486 1.5486 2.1277 2.1277 2.4131 2.4131 2.4962 2.4962 2.7262 2.7262 3.5134 3.5134 4.1761 4.1761 7.6017 7.6017 9.5129 9.5129 9.7502 9.7502 10.5605 10.5605 k = 0.4000 0.2469-0.1541 ( 3487 PWs) bands (ev): -34.3999 -34.3999 -34.3959 -34.3959 -15.7140 -15.7140 -15.7045 -15.7045 -15.3776 -15.3776 -15.3646 -15.3646 -15.2546 -15.2546 -15.2388 -15.2388 -8.4359 -8.4359 -8.0812 -8.0812 0.9087 0.9087 1.5388 1.5388 2.1361 2.1361 2.3842 2.3842 2.5057 2.5057 2.7221 2.7221 3.5379 3.5379 4.1911 4.1911 7.6237 7.6237 9.4896 9.4896 9.7231 9.7231 10.5243 10.5243 k = 0.3900 0.2407-0.1502 ( 3488 PWs) bands (ev): -34.4001 -34.4001 -34.3960 -34.3960 -15.7137 -15.7137 -15.7030 -15.7030 -15.3775 -15.3775 -15.3632 -15.3632 -15.2540 -15.2540 -15.2381 -15.2381 -8.4381 -8.4381 -8.0847 -8.0847 0.9277 0.9277 1.5269 1.5269 2.1452 2.1452 2.3546 2.3546 2.5175 2.5175 2.7198 2.7198 3.5604 3.5604 4.2075 4.2075 7.6480 7.6480 9.4599 9.4599 9.7024 9.7024 10.4806 10.4806 k = 0.3800 0.2345-0.1464 ( 3492 PWs) bands (ev): -34.4004 -34.4004 -34.3961 -34.3961 -15.7135 -15.7135 -15.7013 -15.7013 -15.3774 -15.3774 -15.3617 -15.3617 -15.2533 -15.2533 -15.2374 -15.2374 -8.4405 -8.4405 -8.0884 -8.0884 0.9482 0.9482 1.5124 1.5124 2.1549 2.1549 2.3258 2.3258 2.5309 2.5309 2.7190 2.7190 3.5806 3.5806 4.2251 4.2251 7.6746 7.6746 9.4252 9.4252 9.6870 9.6870 10.4320 10.4320 k = 0.3700 0.2283-0.1425 ( 3489 PWs) bands (ev): -34.4006 -34.4006 -34.3963 -34.3963 -15.7132 -15.7132 -15.6996 -15.6996 -15.3773 -15.3773 -15.3600 -15.3600 -15.2526 -15.2526 -15.2366 -15.2366 -8.4432 -8.4432 -8.0922 -8.0922 0.9703 0.9703 1.4954 1.4954 2.1651 2.1651 2.2988 2.2988 2.5456 2.5456 2.7197 2.7197 3.5984 3.5984 4.2437 4.2437 7.7034 7.7034 9.3870 9.3870 9.6753 9.6753 10.3803 10.3803 k = 0.3600 0.2222-0.1387 ( 3488 PWs) bands (ev): -34.4009 -34.4009 -34.3964 -34.3964 -15.7130 -15.7130 -15.6978 -15.6978 -15.3771 -15.3771 -15.3583 -15.3583 -15.2518 -15.2518 -15.2357 -15.2357 -8.4462 -8.4462 -8.0962 -8.0962 0.9938 0.9938 1.4755 1.4755 2.1758 2.1758 2.2744 2.2744 2.5615 2.5615 2.7217 2.7217 3.6139 3.6139 4.2630 4.2630 7.7344 7.7344 9.3469 9.3469 9.6656 9.6656 10.3270 10.3270 k = 0.3500 0.2160-0.1348 ( 3482 PWs) bands (ev): -34.4012 -34.4012 -34.3965 -34.3965 -15.7127 -15.7127 -15.6958 -15.6958 -15.3769 -15.3769 -15.3565 -15.3565 -15.2509 -15.2509 -15.2348 -15.2348 -8.4495 -8.4495 -8.1001 -8.1001 1.0185 1.0185 1.4527 1.4527 2.1867 2.1867 2.2531 2.2531 2.5785 2.5785 2.7250 2.7250 3.6269 3.6269 4.2829 4.2829 7.7674 7.7674 9.3058 9.3058 9.6568 9.6568 10.2731 10.2731 k = 0.3400 0.2098-0.1310 ( 3482 PWs) bands (ev): -34.4015 -34.4015 -34.3967 -34.3967 -15.7125 -15.7125 -15.6939 -15.6939 -15.3766 -15.3766 -15.3546 -15.3546 -15.2500 -15.2500 -15.2338 -15.2338 -8.4531 -8.4531 -8.1041 -8.1041 1.0444 1.0444 1.4272 1.4272 2.1977 2.1977 2.2354 2.2354 2.5965 2.5965 2.7294 2.7294 3.6376 3.6376 4.3029 4.3029 7.8024 7.8024 9.2646 9.2646 9.6478 9.6478 10.2189 10.2189 k = 0.3300 0.2037-0.1271 ( 3485 PWs) bands (ev): -34.4018 -34.4018 -34.3968 -34.3968 -15.7122 -15.7122 -15.6919 -15.6919 -15.3764 -15.3764 -15.3527 -15.3527 -15.2490 -15.2490 -15.2328 -15.2328 -8.4570 -8.4570 -8.1081 -8.1081 1.0712 1.0712 1.3991 1.3991 2.2070 2.2070 2.2229 2.2229 2.6154 2.6154 2.7351 2.7351 3.6461 3.6461 4.3230 4.3230 7.8393 7.8393 9.2238 9.2238 9.6380 9.6380 10.1649 10.1649 k = 0.3200 0.1975-0.1232 ( 3482 PWs) bands (ev): -34.4021 -34.4021 -34.3970 -34.3970 -15.7120 -15.7120 -15.6898 -15.6898 -15.3761 -15.3761 -15.3507 -15.3507 -15.2480 -15.2480 -15.2317 -15.2317 -8.4612 -8.4612 -8.1121 -8.1121 1.0986 1.0986 1.3691 1.3691 2.2050 2.2050 2.2252 2.2252 2.6352 2.6352 2.7419 2.7419 3.6525 3.6525 4.3427 4.3427 7.8778 7.8778 9.1837 9.1837 9.6269 9.6269 10.1113 10.1113 k = 0.3100 0.1913-0.1194 ( 3481 PWs) bands (ev): -34.4025 -34.4025 -34.3971 -34.3971 -15.7118 -15.7118 -15.6876 -15.6876 -15.3758 -15.3758 -15.3486 -15.3486 -15.2469 -15.2469 -15.2306 -15.2306 -8.4658 -8.4658 -8.1159 -8.1159 1.1257 1.1257 1.3382 1.3382 2.1977 2.1977 2.2360 2.2360 2.6559 2.6559 2.7500 2.7500 3.6568 3.6568 4.3619 4.3619 7.9178 7.9178 9.1443 9.1443 9.6142 9.6142 10.0581 10.0581 k = 0.3000 0.1851-0.1155 ( 3484 PWs) bands (ev): -34.4028 -34.4028 -34.3973 -34.3973 -15.7116 -15.7116 -15.6855 -15.6855 -15.3755 -15.3755 -15.3465 -15.3465 -15.2457 -15.2457 -15.2294 -15.2294 -8.4707 -8.4707 -8.1197 -8.1197 1.1507 1.1507 1.3084 1.3084 2.1924 2.1924 2.2478 2.2478 2.6773 2.6773 2.7594 2.7594 3.6592 3.6592 4.3804 4.3804 7.9589 7.9589 9.1060 9.1060 9.5997 9.5997 10.0053 10.0053 k = 0.2900 0.1790-0.1117 ( 3488 PWs) bands (ev): -34.4032 -34.4032 -34.3974 -34.3974 -15.7114 -15.7114 -15.6833 -15.6833 -15.3752 -15.3752 -15.3443 -15.3443 -15.2445 -15.2445 -15.2282 -15.2282 -8.4759 -8.4759 -8.1233 -8.1233 1.1681 1.1681 1.2855 1.2855 2.1895 2.1895 2.2599 2.2599 2.6993 2.6993 2.7700 2.7700 3.6599 3.6599 4.3980 4.3980 8.0010 8.0010 9.0686 9.0686 9.5834 9.5834 9.9528 9.9528 k = 0.2800 0.1728-0.1078 ( 3485 PWs) bands (ev): -34.4035 -34.4035 -34.3976 -34.3976 -15.7112 -15.7112 -15.6811 -15.6811 -15.3748 -15.3748 -15.3420 -15.3420 -15.2432 -15.2432 -15.2269 -15.2269 -8.4813 -8.4813 -8.1268 -8.1268 1.1670 1.1670 1.2808 1.2808 2.1886 2.1886 2.2722 2.2722 2.7220 2.7220 2.7818 2.7818 3.6589 3.6589 4.4145 4.4145 8.0438 8.0438 9.0322 9.0322 9.5654 9.5654 9.9004 9.9004 k = 0.2700 0.1666-0.1040 ( 3485 PWs) bands (ev): -34.4039 -34.4039 -34.3978 -34.3978 -15.7111 -15.7111 -15.6789 -15.6789 -15.3745 -15.3745 -15.3398 -15.3398 -15.2419 -15.2419 -15.2256 -15.2256 -8.4871 -8.4871 -8.1300 -8.1300 1.1446 1.1446 1.2974 1.2974 2.1895 2.1895 2.2845 2.2845 2.7453 2.7453 2.7949 2.7949 3.6563 3.6563 4.4299 4.4299 8.0868 8.0868 8.9969 8.9969 9.5457 9.5457 9.8482 9.8482 k = 0.2600 0.1605-0.1001 ( 3486 PWs) bands (ev): -34.4042 -34.4042 -34.3980 -34.3980 -15.7110 -15.7110 -15.6767 -15.6767 -15.3741 -15.3741 -15.3375 -15.3375 -15.2406 -15.2406 -15.2243 -15.2243 -8.4932 -8.4932 -8.1331 -8.1331 1.1114 1.1114 1.3250 1.3250 2.1919 2.1919 2.2969 2.2969 2.7690 2.7690 2.8092 2.8092 3.6522 3.6522 4.4440 4.4440 8.1297 8.1297 8.9625 8.9625 9.5248 9.5248 9.7960 9.7960 k = 0.2500 0.1543-0.0963 ( 3490 PWs) bands (ev): -34.4046 -34.4046 -34.3981 -34.3981 -15.7110 -15.7110 -15.6745 -15.6745 -15.3737 -15.3737 -15.3353 -15.3353 -15.2393 -15.2393 -15.2230 -15.2230 -8.4995 -8.4995 -8.1360 -8.1360 1.0740 1.0740 1.3572 1.3572 2.1954 2.1954 2.3095 2.3095 2.7930 2.7930 2.8245 2.8245 3.6467 3.6467 4.4568 4.4568 8.1719 8.1719 8.9290 8.9290 9.5029 9.5029 9.7441 9.7441 k = 0.2400 0.1481-0.0924 ( 3487 PWs) bands (ev): -34.4050 -34.4050 -34.3983 -34.3983 -15.7110 -15.7110 -15.6724 -15.6724 -15.3732 -15.3732 -15.3330 -15.3330 -15.2379 -15.2379 -15.2215 -15.2215 -8.5059 -8.5059 -8.1387 -8.1387 1.0349 1.0349 1.3917 1.3917 2.1997 2.1997 2.3223 2.3223 2.8172 2.8172 2.8410 2.8410 3.6400 3.6400 4.4682 4.4682 8.2130 8.2130 8.8967 8.8967 9.4804 9.4804 9.6925 9.6925 k = 0.2300 0.1419-0.0886 ( 3485 PWs) bands (ev): -34.4053 -34.4053 -34.3985 -34.3985 -15.7110 -15.7110 -15.6702 -15.6702 -15.3728 -15.3728 -15.3307 -15.3307 -15.2364 -15.2364 -15.2201 -15.2201 -8.5126 -8.5126 -8.1411 -8.1411 0.9952 0.9952 1.4276 1.4276 2.2045 2.2045 2.3352 2.3352 2.8414 2.8414 2.8586 2.8586 3.6320 3.6320 4.4783 4.4783 8.2523 8.2523 8.8653 8.8653 9.4576 9.4576 9.6416 9.6416 k = 0.2200 0.1358-0.0847 ( 3483 PWs) bands (ev): -34.4057 -34.4057 -34.3987 -34.3987 -15.7110 -15.7110 -15.6681 -15.6681 -15.3723 -15.3723 -15.3285 -15.3285 -15.2350 -15.2350 -15.2187 -15.2187 -8.5194 -8.5194 -8.1433 -8.1433 0.9556 0.9556 1.4644 1.4644 2.2097 2.2097 2.3484 2.3484 2.8653 2.8653 2.8774 2.8774 3.6230 3.6230 4.4870 4.4870 8.2892 8.2892 8.8352 8.8352 9.4347 9.4347 9.5918 9.5918 k = 0.2100 0.1296-0.0809 ( 3481 PWs) bands (ev): -34.4060 -34.4060 -34.3988 -34.3988 -15.7111 -15.7111 -15.6661 -15.6661 -15.3719 -15.3719 -15.3262 -15.3262 -15.2336 -15.2336 -15.2172 -15.2172 -8.5263 -8.5263 -8.1453 -8.1453 0.9164 0.9164 1.5018 1.5018 2.2149 2.2149 2.3618 2.3618 2.8882 2.8882 2.8979 2.8979 3.6130 3.6130 4.4944 4.4944 8.3229 8.3229 8.8065 8.8065 9.4120 9.4120 9.5437 9.5437 k = 0.2000 0.1234-0.0770 ( 3479 PWs) bands (ev): -34.4064 -34.4064 -34.3990 -34.3990 -15.7112 -15.7112 -15.6641 -15.6641 -15.3714 -15.3714 -15.3240 -15.3240 -15.2321 -15.2321 -15.2157 -15.2157 -8.5332 -8.5332 -8.1472 -8.1472 0.8778 0.8778 1.5396 1.5396 2.2201 2.2201 2.3755 2.3755 2.9095 2.9095 2.9202 2.9202 3.6021 3.6021 4.5006 4.5006 8.3526 8.3526 8.7795 8.7795 9.3896 9.3896 9.4981 9.4981 k = 0.1900 0.1173-0.0732 ( 3479 PWs) bands (ev): -34.4067 -34.4067 -34.3992 -34.3992 -15.7113 -15.7113 -15.6621 -15.6621 -15.3709 -15.3709 -15.3219 -15.3219 -15.2307 -15.2307 -15.2143 -15.2143 -8.5402 -8.5402 -8.1488 -8.1488 0.8403 0.8403 1.5777 1.5777 2.2251 2.2251 2.3894 2.3894 2.9299 2.9299 2.9435 2.9435 3.5904 3.5904 4.5055 4.5055 8.3775 8.3775 8.7543 8.7543 9.3673 9.3673 9.4560 9.4560 k = 0.1800 0.1111-0.0693 ( 3477 PWs) bands (ev): -34.4070 -34.4070 -34.3993 -34.3993 -15.7115 -15.7115 -15.6603 -15.6603 -15.3704 -15.3704 -15.3198 -15.3198 -15.2293 -15.2293 -15.2128 -15.2128 -8.5472 -8.5472 -8.1502 -8.1502 0.8038 0.8038 1.6157 1.6157 2.2297 2.2297 2.4035 2.4035 2.9497 2.9497 2.9671 2.9671 3.5782 3.5782 4.5092 4.5092 8.3967 8.3967 8.7313 8.7313 9.3443 9.3443 9.4192 9.4192 k = 0.1700 0.1049-0.0655 ( 3477 PWs) bands (ev): -34.4074 -34.4074 -34.3995 -34.3995 -15.7116 -15.7116 -15.6585 -15.6585 -15.3699 -15.3699 -15.3178 -15.3178 -15.2279 -15.2279 -15.2114 -15.2114 -8.5540 -8.5540 -8.1515 -8.1515 0.7687 0.7687 1.6537 1.6537 2.2341 2.2341 2.4177 2.4177 2.9693 2.9693 2.9903 2.9903 3.5656 3.5656 4.5119 4.5119 8.4097 8.4097 8.7106 8.7106 9.3195 9.3195 9.3896 9.3896 k = 0.1600 0.0987-0.0616 ( 3476 PWs) bands (ev): -34.4077 -34.4077 -34.3997 -34.3997 -15.7118 -15.7118 -15.6567 -15.6567 -15.3695 -15.3695 -15.3159 -15.3159 -15.2266 -15.2266 -15.2099 -15.2099 -8.5608 -8.5608 -8.1526 -8.1526 0.7349 0.7349 1.6915 1.6915 2.2381 2.2381 2.4318 2.4318 2.9883 2.9883 3.0131 3.0131 3.5528 3.5528 4.5136 4.5136 8.4162 8.4162 8.6920 8.6920 9.2924 9.2924 9.3684 9.3684 k = 0.1500 0.0926-0.0578 ( 3474 PWs) bands (ev): -34.4080 -34.4080 -34.3998 -34.3998 -15.7120 -15.7120 -15.6551 -15.6551 -15.3690 -15.3690 -15.3140 -15.3140 -15.2252 -15.2252 -15.2085 -15.2085 -8.5673 -8.5673 -8.1535 -8.1535 0.7027 0.7027 1.7288 1.7288 2.2416 2.2416 2.4459 2.4459 3.0067 3.0067 3.0351 3.0351 3.5400 3.5400 4.5144 4.5144 8.4166 8.4166 8.6750 8.6750 9.2642 9.2642 9.3548 9.3548 k = 0.1400 0.0864-0.0539 ( 3478 PWs) bands (ev): -34.4082 -34.4082 -34.4000 -34.4000 -15.7122 -15.7122 -15.6535 -15.6535 -15.3685 -15.3685 -15.3123 -15.3123 -15.2240 -15.2240 -15.2072 -15.2072 -8.5737 -8.5737 -8.1544 -8.1544 0.6722 0.6722 1.7656 1.7656 2.2448 2.2448 2.4596 2.4596 3.0243 3.0243 3.0562 3.0562 3.5275 3.5275 4.5143 4.5143 8.4116 8.4116 8.6590 8.6590 9.2367 9.2367 9.3476 9.3476 k = 0.1300 0.0802-0.0501 ( 3478 PWs) bands (ev): -34.4085 -34.4085 -34.4001 -34.4001 -15.7125 -15.7125 -15.6521 -15.6521 -15.3681 -15.3681 -15.3106 -15.3106 -15.2227 -15.2227 -15.2058 -15.2058 -8.5799 -8.5799 -8.1551 -8.1551 0.6433 0.6433 1.8015 1.8015 2.2477 2.2477 2.4731 2.4731 3.0407 3.0407 3.0764 3.0764 3.5155 3.5155 4.5136 4.5136 8.4024 8.4024 8.6430 8.6430 9.2109 9.2109 9.3455 9.3455 k = 0.1200 0.0741-0.0462 ( 3476 PWs) bands (ev): -34.4088 -34.4088 -34.4002 -34.4002 -15.7127 -15.7127 -15.6507 -15.6507 -15.3676 -15.3676 -15.3091 -15.3091 -15.2216 -15.2216 -15.2045 -15.2045 -8.5857 -8.5857 -8.1556 -8.1556 0.6164 0.6164 1.8365 1.8365 2.2502 2.2502 2.4860 2.4860 3.0556 3.0556 3.0954 3.0954 3.5043 3.5043 4.5123 4.5123 8.3903 8.3903 8.6267 8.6267 9.1873 9.1873 9.3477 9.3477 k = 0.1100 0.0679-0.0424 ( 3474 PWs) bands (ev): -34.4090 -34.4090 -34.4003 -34.4003 -15.7129 -15.7129 -15.6494 -15.6494 -15.3672 -15.3672 -15.3076 -15.3076 -15.2205 -15.2205 -15.2033 -15.2033 -8.5912 -8.5912 -8.1561 -8.1561 0.5913 0.5913 1.8703 1.8703 2.2524 2.2524 2.4983 2.4983 3.0688 3.0688 3.1133 3.1133 3.4942 3.4942 4.5106 4.5106 8.3765 8.3765 8.6096 8.6096 9.1659 9.1659 9.3536 9.3536 k = 0.1000 0.0617-0.0385 ( 3472 PWs) bands (ev): -34.4092 -34.4092 -34.4005 -34.4005 -15.7131 -15.7131 -15.6482 -15.6482 -15.3668 -15.3668 -15.3063 -15.3063 -15.2194 -15.2194 -15.2022 -15.2022 -8.5964 -8.5964 -8.1565 -8.1565 0.5681 0.5681 1.9027 1.9027 2.2543 2.2543 2.5098 2.5098 3.0801 3.0801 3.1298 3.1298 3.4854 3.4854 4.5084 4.5084 8.3617 8.3617 8.5920 8.5920 9.1468 9.1468 9.3622 9.3622 k = 0.0900 0.0555-0.0347 ( 3473 PWs) bands (ev): -34.4094 -34.4094 -34.4006 -34.4006 -15.7134 -15.7134 -15.6472 -15.6472 -15.3665 -15.3665 -15.3051 -15.3051 -15.2185 -15.2185 -15.2011 -15.2011 -8.6012 -8.6012 -8.1569 -8.1569 0.5471 0.5471 1.9334 1.9334 2.2559 2.2559 2.5204 2.5204 3.0893 3.0893 3.1451 3.1451 3.4781 3.4781 4.5060 4.5060 8.3469 8.3469 8.5742 8.5742 9.1297 9.1297 9.3729 9.3729 k = 0.0800 0.0494-0.0308 ( 3473 PWs) bands (ev): -34.4096 -34.4096 -34.4006 -34.4006 -15.7136 -15.7136 -15.6462 -15.6462 -15.3661 -15.3661 -15.3039 -15.3039 -15.2176 -15.2176 -15.2002 -15.2002 -8.6055 -8.6055 -8.1572 -8.1572 0.5281 0.5281 1.9621 1.9621 2.2573 2.2573 2.5301 2.5301 3.0964 3.0964 3.1590 3.1590 3.4723 3.4723 4.5035 4.5035 8.3325 8.3325 8.5567 8.5567 9.1147 9.1147 9.3848 9.3848 k = 0.0700 0.0432-0.0270 ( 3474 PWs) bands (ev): -34.4098 -34.4098 -34.4007 -34.4007 -15.7138 -15.7138 -15.6454 -15.6454 -15.3658 -15.3658 -15.3030 -15.3030 -15.2169 -15.2169 -15.1993 -15.1993 -8.6094 -8.6094 -8.1574 -8.1574 0.5112 0.5112 1.9885 1.9885 2.2585 2.2585 2.5388 2.5388 3.1013 3.1013 3.1714 3.1714 3.4680 3.4680 4.5009 4.5009 8.3190 8.3190 8.5399 8.5399 9.1016 9.1016 9.3972 9.3972 k = 0.0600 0.0370-0.0231 ( 3471 PWs) bands (ev): -34.4099 -34.4099 -34.4008 -34.4008 -15.7139 -15.7139 -15.6446 -15.6446 -15.3656 -15.3656 -15.3021 -15.3021 -15.2162 -15.2162 -15.1985 -15.1985 -8.6129 -8.6129 -8.1575 -8.1575 0.4965 0.4965 2.0123 2.0123 2.2594 2.2594 2.5463 2.5463 3.1045 3.1045 3.1824 3.1824 3.4651 3.4651 4.4985 4.4985 8.3068 8.3068 8.5243 8.5243 9.0903 9.0903 9.4094 9.4094 k = 0.0500 0.0309-0.0193 ( 3469 PWs) bands (ev): -34.4100 -34.4100 -34.4009 -34.4009 -15.7141 -15.7141 -15.6440 -15.6440 -15.3653 -15.3653 -15.3014 -15.3014 -15.2156 -15.2156 -15.1978 -15.1978 -8.6158 -8.6158 -8.1577 -8.1577 0.4840 0.4840 2.0332 2.0332 2.2602 2.2602 2.5527 2.5527 3.1061 3.1061 3.1918 3.1918 3.4634 3.4634 4.4962 4.4962 8.2960 8.2960 8.5105 8.5105 9.0808 9.0808 9.4208 9.4208 k = 0.0400 0.0247-0.0154 ( 3468 PWs) bands (ev): -34.4101 -34.4101 -34.4009 -34.4009 -15.7142 -15.7142 -15.6435 -15.6435 -15.3651 -15.3651 -15.3008 -15.3008 -15.2151 -15.2151 -15.1973 -15.1973 -8.6182 -8.6182 -8.1578 -8.1578 0.4737 0.4737 2.0509 2.0509 2.2608 2.2608 2.5579 2.5579 3.1066 3.1066 3.1996 3.1996 3.4625 3.4625 4.4942 4.4942 8.2870 8.2870 8.4986 8.4986 9.0731 9.0731 9.4308 9.4308 k = 0.0300 0.0185-0.0116 ( 3463 PWs) bands (ev): -34.4102 -34.4102 -34.4009 -34.4009 -15.7143 -15.7143 -15.6430 -15.6430 -15.3650 -15.3650 -15.3003 -15.3003 -15.2147 -15.2147 -15.1968 -15.1968 -8.6202 -8.6202 -8.1578 -8.1578 0.4657 0.4657 2.0651 2.0651 2.2613 2.2613 2.5619 2.5619 3.1065 3.1065 3.2058 3.2058 3.4623 3.4623 4.4925 4.4925 8.2798 8.2798 8.4892 8.4892 9.0671 9.0671 9.4390 9.4390 k = 0.0200 0.0123-0.0077 ( 3468 PWs) bands (ev): -34.4103 -34.4103 -34.4010 -34.4010 -15.7144 -15.7144 -15.6428 -15.6428 -15.3649 -15.3649 -15.3000 -15.3000 -15.2144 -15.2144 -15.1965 -15.1965 -8.6215 -8.6215 -8.1579 -8.1579 0.4600 0.4600 2.0754 2.0754 2.2616 2.2616 2.5648 2.5648 3.1061 3.1061 3.2102 3.2102 3.4623 3.4623 4.4913 4.4913 8.2746 8.2746 8.4822 8.4822 9.0628 9.0628 9.4451 9.4451 k = 0.0100 0.0062-0.0039 ( 3471 PWs) bands (ev): -34.4103 -34.4103 -34.4010 -34.4010 -15.7144 -15.7144 -15.6426 -15.6426 -15.3648 -15.3648 -15.2998 -15.2998 -15.2143 -15.2143 -15.1964 -15.1964 -8.6224 -8.6224 -8.1579 -8.1579 0.4565 0.4565 2.0817 2.0817 2.2617 2.2617 2.5665 2.5665 3.1057 3.1057 3.2129 3.2129 3.4624 3.4624 4.4905 4.4905 8.2714 8.2714 8.4780 8.4780 9.0603 9.0603 9.4489 9.4489 k = 0.0000 0.0000 0.0000 ( 3469 PWs) bands (ev): -34.4103 -34.4103 -34.4010 -34.4010 -15.7144 -15.7144 -15.6425 -15.6425 -15.3648 -15.3648 -15.2997 -15.2997 -15.2142 -15.2142 -15.1963 -15.1963 -8.6226 -8.6226 -8.1579 -8.1579 0.4554 0.4554 2.0838 2.0838 2.2618 2.2618 2.5670 2.5670 3.1055 3.1055 3.2138 3.2138 3.4624 3.4624 4.4903 4.4903 8.2704 8.2704 8.4766 8.4766 9.0594 9.0594 9.4502 9.4502 k = 0.0000 0.0000 0.0000 ( 3469 PWs) bands (ev): -34.4103 -34.4103 -34.4010 -34.4010 -15.7144 -15.7144 -15.6425 -15.6425 -15.3648 -15.3648 -15.2997 -15.2997 -15.2142 -15.2142 -15.1963 -15.1963 -8.6226 -8.6226 -8.1579 -8.1579 0.4554 0.4554 2.0838 2.0838 2.2618 2.2618 2.5670 2.5670 3.1055 3.1055 3.2138 3.2138 3.4624 3.4624 4.4903 4.4903 8.2704 8.2704 8.4766 8.4766 9.0594 9.0594 9.4502 9.4502 k = 0.0000 0.0000 0.0125 ( 3469 PWs) bands (ev): -34.4103 -34.4103 -34.4010 -34.4010 -15.7144 -15.7144 -15.6426 -15.6426 -15.3647 -15.3647 -15.2998 -15.2998 -15.2142 -15.2142 -15.1963 -15.1963 -8.6224 -8.6224 -8.1582 -8.1582 0.4566 0.4566 2.0787 2.0787 2.2630 2.2630 2.5678 2.5678 3.1079 3.1079 3.2142 3.2142 3.4617 3.4617 4.4900 4.4900 8.2710 8.2710 8.4775 8.4775 9.0608 9.0608 9.4487 9.4487 k = 0.0000 0.0000 0.0250 ( 3468 PWs) bands (ev): -34.4103 -34.4103 -34.4010 -34.4010 -15.7141 -15.7141 -15.6428 -15.6428 -15.3646 -15.3646 -15.3000 -15.3000 -15.2142 -15.2142 -15.1963 -15.1963 -8.6217 -8.6217 -8.1589 -8.1589 0.4602 0.4602 2.0641 2.0641 2.2664 2.2664 2.5699 2.5699 3.1143 3.1143 3.2159 3.2159 3.4594 3.4594 4.4894 4.4894 8.2728 8.2728 8.4805 8.4805 9.0647 9.0647 9.4440 9.4440 k = 0.0000 0.0000 0.0375 ( 3468 PWs) bands (ev): -34.4102 -34.4102 -34.4011 -34.4011 -15.7137 -15.7137 -15.6431 -15.6431 -15.3643 -15.3643 -15.3004 -15.3004 -15.2141 -15.2141 -15.1964 -15.1964 -8.6206 -8.6206 -8.1601 -8.1601 0.4662 0.4662 2.0410 2.0410 2.2713 2.2713 2.5733 2.5733 3.1227 3.1227 3.2204 3.2204 3.4558 3.4558 4.4882 4.4882 8.2758 8.2758 8.4855 8.4855 9.0712 9.0712 9.4357 9.4357 k = 0.0000 0.0000 0.0500 ( 3471 PWs) bands (ev): -34.4102 -34.4102 -34.4011 -34.4011 -15.7132 -15.7132 -15.6435 -15.6435 -15.3639 -15.3639 -15.3009 -15.3009 -15.2141 -15.2141 -15.1966 -15.1966 -8.6191 -8.6191 -8.1617 -8.1617 0.4747 0.4747 2.0110 2.0110 2.2772 2.2772 2.5779 2.5779 3.1299 3.1299 3.2302 3.2302 3.4510 3.4510 4.4865 4.4865 8.2798 8.2798 8.4925 8.4925 9.0800 9.0800 9.4232 9.4232 k = 0.0000 0.0000 0.0625 ( 3470 PWs) bands (ev): -34.4101 -34.4101 -34.4012 -34.4012 -15.7126 -15.7126 -15.6440 -15.6440 -15.3635 -15.3635 -15.3015 -15.3015 -15.2140 -15.2140 -15.1967 -15.1967 -8.6171 -8.6171 -8.1637 -8.1637 0.4855 0.4855 1.9752 1.9752 2.2839 2.2839 2.5834 2.5834 3.1327 3.1327 3.2470 3.2470 3.4455 3.4455 4.4842 4.4842 8.2847 8.2847 8.5016 8.5016 9.0908 9.0908 9.4064 9.4064 k = 0.0000 0.0000 0.0750 ( 3469 PWs) bands (ev): -34.4100 -34.4100 -34.4012 -34.4012 -15.7117 -15.7117 -15.6446 -15.6446 -15.3629 -15.3629 -15.3023 -15.3023 -15.2138 -15.2138 -15.1969 -15.1969 -8.6148 -8.6148 -8.1662 -8.1662 0.4986 0.4986 1.9349 1.9349 2.2911 2.2911 2.5899 2.5899 3.1304 3.1304 3.2701 3.2701 3.4400 3.4400 4.4812 4.4812 8.2904 8.2904 8.5129 8.5129 9.1029 9.1029 9.3857 9.3857 k = 0.0000 0.0000 0.0874 ( 3469 PWs) bands (ev): -34.4100 -34.4100 -34.4013 -34.4013 -15.7108 -15.7108 -15.6454 -15.6454 -15.3622 -15.3622 -15.3032 -15.3032 -15.2137 -15.2137 -15.1971 -15.1971 -8.6121 -8.6121 -8.1690 -8.1690 0.5141 0.5141 1.8910 1.8910 2.2988 2.2988 2.5971 2.5971 3.1240 3.1240 3.2966 3.2966 3.4361 3.4361 4.4774 4.4774 8.2968 8.2968 8.5264 8.5264 9.1151 9.1151 9.3624 9.3624 k = 0.0000 0.0000 0.0999 ( 3468 PWs) bands (ev): -34.4099 -34.4099 -34.4014 -34.4014 -15.7097 -15.7097 -15.6462 -15.6462 -15.3614 -15.3614 -15.3042 -15.3042 -15.2135 -15.2135 -15.1973 -15.1973 -8.6091 -8.6091 -8.1722 -8.1722 0.5318 0.5318 1.8443 1.8443 2.3069 2.3069 2.6050 2.6050 3.1145 3.1145 3.3213 3.3213 3.4371 3.4371 4.4727 4.4727 8.3037 8.3037 8.5419 8.5419 9.1253 9.1253 9.3394 9.3394 k = 0.0000 0.0000 0.1124 ( 3468 PWs) bands (ev): -34.4098 -34.4098 -34.4015 -34.4015 -15.7086 -15.7086 -15.6471 -15.6471 -15.3606 -15.3606 -15.3053 -15.3053 -15.2134 -15.2134 -15.1976 -15.1976 -8.6059 -8.6059 -8.1756 -8.1756 0.5518 0.5518 1.7954 1.7954 2.3155 2.3155 2.6136 2.6136 3.1028 3.1028 3.3377 3.3377 3.4483 3.4483 4.4670 4.4670 8.3111 8.3111 8.5594 8.5594 9.1299 9.1299 9.3215 9.3215 k = 0.0000 0.0000 0.1249 ( 3468 PWs) bands (ev): -34.4096 -34.4096 -34.4017 -34.4017 -15.7073 -15.7073 -15.6481 -15.6481 -15.3596 -15.3596 -15.3065 -15.3065 -15.2132 -15.2132 -15.1979 -15.1979 -8.6024 -8.6024 -8.1793 -8.1793 0.5740 0.5740 1.7449 1.7449 2.3245 2.3245 2.6227 2.6227 3.0895 3.0895 3.3422 3.3422 3.4726 3.4726 4.4603 4.4603 8.3189 8.3189 8.5788 8.5788 9.1244 9.1244 9.3141 9.3141 k = 0.0000 0.0000 0.1374 ( 3473 PWs) bands (ev): -34.4095 -34.4095 -34.4018 -34.4018 -15.7060 -15.7060 -15.6492 -15.6492 -15.3587 -15.3587 -15.3078 -15.3078 -15.2130 -15.2130 -15.1982 -15.1982 -8.5988 -8.5988 -8.1831 -8.1831 0.5982 0.5982 1.6932 1.6932 2.3339 2.3339 2.6323 2.6323 3.0750 3.0750 3.3379 3.3379 3.5061 3.5061 4.4526 4.4526 8.3271 8.3271 8.5996 8.5996 9.1068 9.1068 9.3199 9.3199 k = 0.0000 0.0000 0.1499 ( 3471 PWs) bands (ev): -34.4094 -34.4094 -34.4019 -34.4019 -15.7046 -15.7046 -15.6503 -15.6503 -15.3576 -15.3576 -15.3092 -15.3092 -15.2128 -15.2128 -15.1984 -15.1984 -8.5950 -8.5950 -8.1870 -8.1870 0.6246 0.6246 1.6408 1.6408 2.3435 2.3435 2.6423 2.6423 3.0596 3.0596 3.3289 3.3289 3.5441 3.5441 4.4437 4.4437 8.3357 8.3357 8.6217 8.6217 9.0799 9.0799 9.3369 9.3369 k = 0.0000 0.0000 0.1624 ( 3471 PWs) bands (ev): -34.4093 -34.4093 -34.4020 -34.4020 -15.7031 -15.7031 -15.6516 -15.6516 -15.3564 -15.3564 -15.3106 -15.3106 -15.2126 -15.2126 -15.1987 -15.1987 -8.5913 -8.5913 -8.1909 -8.1909 0.6529 0.6529 1.5880 1.5880 2.3532 2.3532 2.6527 2.6527 3.0437 3.0437 3.3178 3.3178 3.5839 3.5839 4.4337 4.4337 8.3447 8.3447 8.6447 8.6447 9.0477 9.0477 9.3614 9.3614 k = 0.0000 0.0000 0.1749 ( 3472 PWs) bands (ev): -34.4091 -34.4091 -34.4022 -34.4022 -15.7016 -15.7016 -15.6528 -15.6528 -15.3553 -15.3553 -15.3121 -15.3121 -15.2124 -15.2124 -15.1990 -15.1990 -8.5875 -8.5875 -8.1949 -8.1949 0.6830 0.6830 1.5352 1.5352 2.3630 2.3630 2.6631 2.6631 3.0277 3.0277 3.3057 3.3057 3.6239 3.6239 4.4228 4.4228 8.3540 8.3540 8.6680 8.6680 9.0133 9.0133 9.3905 9.3905 k = 0.0000 0.0000 0.1874 ( 3476 PWs) bands (ev): -34.4090 -34.4090 -34.4023 -34.4023 -15.7001 -15.7001 -15.6541 -15.6541 -15.3541 -15.3541 -15.3135 -15.3135 -15.2122 -15.2122 -15.1993 -15.1993 -8.5839 -8.5839 -8.1987 -8.1987 0.7149 0.7149 1.4826 1.4826 2.3726 2.3726 2.6736 2.6736 3.0117 3.0117 3.2934 3.2934 3.6631 3.6631 4.4110 4.4110 8.3637 8.3637 8.6913 8.6913 8.9787 8.9787 9.4224 9.4224 k = 0.0000 0.0000 0.1999 ( 3479 PWs) bands (ev): -34.4089 -34.4089 -34.4024 -34.4024 -15.6987 -15.6987 -15.6553 -15.6553 -15.3529 -15.3529 -15.3150 -15.3150 -15.2120 -15.2120 -15.1996 -15.1996 -8.5804 -8.5804 -8.2023 -8.2023 0.7484 0.7484 1.4306 1.4306 2.3819 2.3819 2.6839 2.6839 2.9961 2.9961 3.2814 3.2814 3.7007 3.7007 4.3987 4.3987 8.3735 8.3735 8.7139 8.7139 8.9451 8.9451 9.4556 9.4556 k = 0.0000 0.0000 0.2124 ( 3481 PWs) bands (ev): -34.4087 -34.4087 -34.4026 -34.4026 -15.6973 -15.6973 -15.6566 -15.6566 -15.3517 -15.3517 -15.3164 -15.3164 -15.2118 -15.2118 -15.1998 -15.1998 -8.5773 -8.5773 -8.2056 -8.2056 0.7832 0.7832 1.3795 1.3795 2.3906 2.3906 2.6939 2.6939 2.9813 2.9813 3.2701 3.2701 3.7358 3.7358 4.3860 4.3860 8.3834 8.3834 8.7353 8.7353 8.9136 8.9136 9.4889 9.4889 k = 0.0000 0.0000 0.2249 ( 3479 PWs) bands (ev): -34.4086 -34.4086 -34.4027 -34.4027 -15.6959 -15.6959 -15.6577 -15.6577 -15.3506 -15.3506 -15.3177 -15.3177 -15.2117 -15.2117 -15.2000 -15.2000 -8.5744 -8.5744 -8.2086 -8.2086 0.8190 0.8190 1.3299 1.3299 2.3985 2.3985 2.7032 2.7032 2.9677 2.9677 3.2598 3.2598 3.7679 3.7679 4.3735 4.3735 8.3929 8.3929 8.7548 8.7548 8.8850 8.8850 9.5209 9.5209 k = 0.0000 0.0000 0.2374 ( 3482 PWs) bands (ev): -34.4085 -34.4085 -34.4028 -34.4028 -15.6948 -15.6948 -15.6587 -15.6587 -15.3496 -15.3496 -15.3189 -15.3189 -15.2115 -15.2115 -15.2002 -15.2002 -8.5720 -8.5720 -8.2112 -8.2112 0.8551 0.8551 1.2823 1.2823 2.4054 2.4054 2.7116 2.7116 2.9556 2.9556 3.2510 3.2510 3.7959 3.7959 4.3617 4.3617 8.4019 8.4019 8.7719 8.7719 8.8601 8.8601 9.5504 9.5504 k = 0.0000 0.0000 0.2499 ( 3484 PWs) bands (ev): -34.4085 -34.4085 -34.4029 -34.4029 -15.6938 -15.6938 -15.6596 -15.6596 -15.3487 -15.3487 -15.3199 -15.3199 -15.2114 -15.2114 -15.2004 -15.2004 -8.5700 -8.5700 -8.2132 -8.2132 0.8905 0.8905 1.2379 1.2379 2.4110 2.4110 2.7187 2.7187 2.9455 2.9455 3.2437 3.2437 3.8191 3.8191 4.3513 4.3513 8.4097 8.4097 8.7859 8.7859 8.8395 8.8395 9.5756 9.5756 k = 0.0000 0.0000 0.2623 ( 3487 PWs) bands (ev): -34.4084 -34.4084 -34.4029 -34.4029 -15.6930 -15.6930 -15.6603 -15.6603 -15.3480 -15.3480 -15.3207 -15.3207 -15.2113 -15.2113 -15.2005 -15.2005 -8.5685 -8.5685 -8.2147 -8.2147 0.9230 0.9230 1.1989 1.1989 2.4152 2.4152 2.7241 2.7241 2.9378 2.9378 3.2384 3.2384 3.8365 3.8365 4.3432 4.3432 8.4158 8.4158 8.7964 8.7964 8.8241 8.8241 9.5952 9.5952 k = 0.0000 0.0000 0.2748 ( 3490 PWs) bands (ev): -34.4084 -34.4084 -34.4030 -34.4030 -15.6925 -15.6925 -15.6607 -15.6607 -15.3476 -15.3476 -15.3212 -15.3212 -15.2113 -15.2113 -15.2006 -15.2006 -8.5676 -8.5676 -8.2157 -8.2157 0.9480 0.9480 1.1700 1.1700 2.4178 2.4178 2.7276 2.7276 2.9330 2.9330 3.2351 3.2351 3.8474 3.8474 4.3379 4.3379 8.4197 8.4197 8.8029 8.8029 8.8145 8.8145 9.6077 9.6077 k = 0.0000 0.0000 0.2873 ( 3490 PWs) bands (ev): -34.4084 -34.4084 -34.4030 -34.4030 -15.6924 -15.6924 -15.6609 -15.6609 -15.3475 -15.3475 -15.3214 -15.3214 -15.2113 -15.2113 -15.2006 -15.2006 -8.5673 -8.5673 -8.2160 -8.2160 0.9580 0.9580 1.1587 1.1587 2.4187 2.4187 2.7288 2.7288 2.9314 2.9314 3.2340 3.2340 3.8511 3.8511 4.3361 4.3361 8.4211 8.4211 8.8052 8.8052 8.8112 8.8112 9.6119 9.6119 k = 0.5000-0.2348 0.1937 ( 3486 PWs) bands (ev): -34.3991 -34.3991 -34.3990 -34.3990 -15.7031 -15.7031 -15.6963 -15.6963 -15.3566 -15.3566 -15.3479 -15.3479 -15.2785 -15.2785 -15.2625 -15.2625 -8.4417 -8.4417 -8.0941 -8.0941 0.7704 0.7704 1.4074 1.4074 2.1537 2.1537 2.5581 2.5581 2.5836 2.5836 3.0868 3.0868 3.4851 3.4851 4.4110 4.4110 7.5196 7.5196 9.3303 9.3303 10.2217 10.2217 10.3161 10.3161 k = 0.4894-0.2298 0.1896 ( 3485 PWs) bands (ev): -34.3992 -34.3992 -34.3989 -34.3989 -15.7031 -15.7031 -15.6962 -15.6962 -15.3566 -15.3566 -15.3479 -15.3479 -15.2784 -15.2784 -15.2625 -15.2625 -8.4418 -8.4418 -8.0943 -8.0943 0.7709 0.7709 1.4076 1.4076 2.1541 2.1541 2.5585 2.5585 2.5826 2.5826 3.0868 3.0868 3.4847 3.4847 4.4113 4.4113 7.5218 7.5218 9.3317 9.3317 10.2193 10.2193 10.3160 10.3160 k = 0.4787-0.2248 0.1855 ( 3486 PWs) bands (ev): -34.3994 -34.3994 -34.3988 -34.3988 -15.7032 -15.7032 -15.6960 -15.6960 -15.3567 -15.3567 -15.3476 -15.3476 -15.2783 -15.2783 -15.2623 -15.2623 -8.4421 -8.4421 -8.0949 -8.0949 0.7724 0.7724 1.4081 1.4081 2.1554 2.1554 2.5596 2.5596 2.5799 2.5799 3.0871 3.0871 3.4836 3.4836 4.4120 4.4120 7.5285 7.5285 9.3358 9.3358 10.2123 10.2123 10.3153 10.3153 k = 0.4681-0.2198 0.1814 ( 3481 PWs) bands (ev): -34.3995 -34.3995 -34.3987 -34.3987 -15.7032 -15.7032 -15.6955 -15.6955 -15.3568 -15.3568 -15.3472 -15.3472 -15.2780 -15.2780 -15.2621 -15.2621 -8.4426 -8.4426 -8.0957 -8.0957 0.7750 0.7750 1.4089 1.4089 2.1576 2.1576 2.5613 2.5613 2.5755 2.5755 3.0876 3.0876 3.4816 3.4816 4.4133 4.4133 7.5395 7.5395 9.3426 9.3426 10.2010 10.2010 10.3133 10.3133 k = 0.4574-0.2148 0.1772 ( 3485 PWs) bands (ev): -34.3997 -34.3997 -34.3986 -34.3986 -15.7033 -15.7033 -15.6950 -15.6950 -15.3569 -15.3569 -15.3467 -15.3467 -15.2776 -15.2776 -15.2618 -15.2618 -8.4433 -8.4433 -8.0970 -8.0970 0.7785 0.7785 1.4101 1.4101 2.1607 2.1607 2.5622 2.5622 2.5710 2.5710 3.0883 3.0883 3.4789 3.4789 4.4150 4.4150 7.5549 7.5549 9.3518 9.3518 10.1860 10.1860 10.3091 10.3091 k = 0.4468-0.2098 0.1731 ( 3487 PWs) bands (ev): -34.3999 -34.3999 -34.3985 -34.3985 -15.7035 -15.7035 -15.6942 -15.6942 -15.3571 -15.3571 -15.3460 -15.3460 -15.2771 -15.2771 -15.2614 -15.2614 -8.4442 -8.4442 -8.0985 -8.0985 0.7828 0.7828 1.4116 1.4116 2.1646 2.1646 2.5578 2.5578 2.5711 2.5711 3.0892 3.0892 3.4755 3.4755 4.4173 4.4173 7.5745 7.5745 9.3634 9.3634 10.1675 10.1675 10.3017 10.3017 k = 0.4362-0.2048 0.1690 ( 3492 PWs) bands (ev): -34.4001 -34.4001 -34.3985 -34.3985 -15.7036 -15.7036 -15.6934 -15.6934 -15.3573 -15.3573 -15.3452 -15.3452 -15.2765 -15.2765 -15.2609 -15.2609 -8.4453 -8.4453 -8.1004 -8.1004 0.7879 0.7879 1.4134 1.4134 2.1693 2.1693 2.5491 2.5491 2.5748 2.5748 3.0904 3.0904 3.4713 3.4713 4.4199 4.4199 7.5982 7.5982 9.3768 9.3768 10.1460 10.1460 10.2900 10.2900 k = 0.4255-0.1999 0.1649 ( 3489 PWs) bands (ev): -34.4004 -34.4004 -34.3984 -34.3984 -15.7037 -15.7037 -15.6924 -15.6924 -15.3574 -15.3574 -15.3443 -15.3443 -15.2758 -15.2758 -15.2603 -15.2603 -8.4467 -8.4467 -8.1025 -8.1025 0.7937 0.7937 1.4155 1.4155 2.1748 2.1748 2.5388 2.5388 2.5799 2.5799 3.0918 3.0918 3.4663 3.4663 4.4229 4.4229 7.6258 7.6258 9.3918 9.3918 10.1216 10.1216 10.2729 10.2729 k = 0.4149-0.1949 0.1607 ( 3488 PWs) bands (ev): -34.4006 -34.4006 -34.3984 -34.3984 -15.7038 -15.7038 -15.6913 -15.6913 -15.3576 -15.3576 -15.3432 -15.3432 -15.2750 -15.2750 -15.2597 -15.2597 -8.4483 -8.4483 -8.1049 -8.1049 0.8000 0.8000 1.4178 1.4178 2.1810 2.1810 2.5275 2.5275 2.5860 2.5860 3.0936 3.0936 3.4606 3.4606 4.4263 4.4263 7.6573 7.6573 9.4079 9.4079 10.0943 10.0943 10.2500 10.2500 k = 0.4043-0.1899 0.1566 ( 3488 PWs) bands (ev): -34.4009 -34.4009 -34.3984 -34.3984 -15.7039 -15.7039 -15.6902 -15.6902 -15.3579 -15.3579 -15.3421 -15.3421 -15.2740 -15.2740 -15.2589 -15.2589 -8.4502 -8.4502 -8.1075 -8.1075 0.8066 0.8066 1.4205 1.4205 2.1879 2.1879 2.5156 2.5156 2.5929 2.5929 3.0957 3.0957 3.4542 3.4542 4.4300 4.4300 7.6923 7.6923 9.4245 9.4245 10.0641 10.0641 10.2215 10.2215 k = 0.3936-0.1849 0.1525 ( 3491 PWs) bands (ev): -34.4011 -34.4011 -34.3984 -34.3984 -15.7040 -15.7040 -15.6889 -15.6889 -15.3581 -15.3581 -15.3408 -15.3408 -15.2729 -15.2729 -15.2581 -15.2581 -8.4523 -8.4523 -8.1103 -8.1103 0.8133 0.8133 1.4236 1.4236 2.1954 2.1954 2.5035 2.5035 2.6006 2.6006 3.0983 3.0983 3.4472 3.4472 4.4340 4.4340 7.7307 7.7307 9.4407 9.4407 10.0307 10.0307 10.1885 10.1885 k = 0.3830-0.1799 0.1484 ( 3491 PWs) bands (ev): -34.4014 -34.4014 -34.3984 -34.3984 -15.7041 -15.7041 -15.6875 -15.6875 -15.3583 -15.3583 -15.3395 -15.3395 -15.2717 -15.2717 -15.2571 -15.2571 -8.4547 -8.4547 -8.1133 -8.1133 0.8200 0.8200 1.4270 1.4270 2.2035 2.2035 2.4916 2.4916 2.6091 2.6091 3.1013 3.1013 3.4395 3.4395 4.4382 4.4382 7.7724 7.7724 9.4556 9.4556 9.9939 9.9939 10.1529 10.1529 k = 0.3723-0.1749 0.1443 ( 3490 PWs) bands (ev): -34.4017 -34.4017 -34.3984 -34.3984 -15.7042 -15.7042 -15.6861 -15.6861 -15.3586 -15.3586 -15.3381 -15.3381 -15.2704 -15.2704 -15.2561 -15.2561 -8.4574 -8.4574 -8.1163 -8.1163 0.8263 0.8263 1.4309 1.4309 2.2120 2.2120 2.4800 2.4800 2.6184 2.6184 3.1049 3.1049 3.4311 3.4311 4.4425 4.4425 7.8170 7.8170 9.4684 9.4684 9.9531 9.9531 10.1165 10.1165 k = 0.3617-0.1699 0.1401 ( 3486 PWs) bands (ev): -34.4020 -34.4020 -34.3984 -34.3984 -15.7043 -15.7043 -15.6846 -15.6846 -15.3589 -15.3589 -15.3366 -15.3366 -15.2690 -15.2690 -15.2550 -15.2550 -8.4604 -8.4604 -8.1194 -8.1194 0.8320 0.8320 1.4354 1.4354 2.2210 2.2210 2.4692 2.4692 2.6283 2.6283 3.1089 3.1089 3.4222 3.4222 4.4471 4.4471 7.8644 7.8644 9.4777 9.4777 9.9082 9.9082 10.0810 10.0810 k = 0.3511-0.1649 0.1360 ( 3485 PWs) bands (ev): -34.4023 -34.4023 -34.3985 -34.3985 -15.7044 -15.7044 -15.6830 -15.6830 -15.3591 -15.3591 -15.3350 -15.3350 -15.2675 -15.2675 -15.2537 -15.2537 -8.4638 -8.4638 -8.1225 -8.1225 0.8368 0.8368 1.4406 1.4406 2.2303 2.2303 2.4594 2.4594 2.6390 2.6390 3.1136 3.1136 3.4128 3.4128 4.4517 4.4517 7.9142 7.9142 9.4824 9.4824 9.8593 9.8593 10.0477 10.0477 k = 0.3404-0.1599 0.1319 ( 3481 PWs) bands (ev): -34.4026 -34.4026 -34.3985 -34.3985 -15.7045 -15.7045 -15.6814 -15.6814 -15.3594 -15.3594 -15.3334 -15.3334 -15.2658 -15.2658 -15.2524 -15.2524 -8.4674 -8.4674 -8.1257 -8.1257 0.8404 0.8404 1.4467 1.4467 2.2397 2.2397 2.4508 2.4508 2.6505 2.6505 3.1190 3.1190 3.4029 3.4029 4.4563 4.4563 7.9663 7.9663 9.4813 9.4813 9.8069 9.8069 10.0167 10.0167 k = 0.3298-0.1549 0.1278 ( 3481 PWs) bands (ev): -34.4029 -34.4029 -34.3986 -34.3986 -15.7047 -15.7047 -15.6797 -15.6797 -15.3597 -15.3597 -15.3318 -15.3318 -15.2641 -15.2641 -15.2510 -15.2510 -8.4714 -8.4714 -8.1288 -8.1288 0.8425 0.8425 1.4538 1.4538 2.2493 2.2493 2.4437 2.4437 2.6626 2.6626 3.1250 3.1250 3.3926 3.3926 4.4609 4.4609 8.0203 8.0203 9.4736 9.4736 9.7519 9.7519 9.9879 9.9879 k = 0.3191-0.1499 0.1236 ( 3475 PWs) bands (ev): -34.4033 -34.4033 -34.3987 -34.3987 -15.7048 -15.7048 -15.6780 -15.6780 -15.3600 -15.3600 -15.3301 -15.3301 -15.2623 -15.2623 -15.2494 -15.2494 -8.4757 -8.4757 -8.1318 -8.1318 0.8429 0.8429 1.4622 1.4622 2.2588 2.2588 2.4382 2.4382 2.6755 2.6755 3.1318 3.1318 3.3819 3.3819 4.4656 4.4656 8.0759 8.0759 9.4588 9.4588 9.6950 9.6950 9.9604 9.9604 k = 0.3085-0.1449 0.1195 ( 3476 PWs) bands (ev): -34.4036 -34.4036 -34.3987 -34.3987 -15.7050 -15.7050 -15.6762 -15.6762 -15.3603 -15.3603 -15.3284 -15.3284 -15.2604 -15.2604 -15.2478 -15.2478 -8.4804 -8.4804 -8.1347 -8.1347 0.8412 0.8412 1.4720 1.4720 2.2683 2.2683 2.4344 2.4344 2.6892 2.6892 3.1394 3.1394 3.3708 3.3708 4.4701 4.4701 8.1329 8.1329 9.4367 9.4367 9.6373 9.6373 9.9333 9.9333 k = 0.2979-0.1399 0.1154 ( 3475 PWs) bands (ev): -34.4039 -34.4039 -34.3988 -34.3988 -15.7053 -15.7053 -15.6745 -15.6745 -15.3606 -15.3606 -15.3267 -15.3267 -15.2584 -15.2584 -15.2461 -15.2461 -8.4854 -8.4854 -8.1375 -8.1375 0.8374 0.8374 1.4833 1.4833 2.2774 2.2774 2.4323 2.4323 2.7035 2.7035 3.1477 3.1477 3.3596 3.3596 4.4744 4.4744 8.1909 8.1909 9.4075 9.4075 9.5797 9.5797 9.9057 9.9057 k = 0.2872-0.1349 0.1113 ( 3477 PWs) bands (ev): -34.4043 -34.4043 -34.3989 -34.3989 -15.7055 -15.7055 -15.6727 -15.6727 -15.3609 -15.3609 -15.3250 -15.3250 -15.2564 -15.2564 -15.2443 -15.2443 -8.4907 -8.4907 -8.1402 -8.1402 0.8314 0.8314 1.4964 1.4964 2.2863 2.2863 2.4320 2.4320 2.7186 2.7186 3.1569 3.1569 3.3481 3.3481 4.4786 4.4786 8.2494 8.2494 9.3715 9.3715 9.5231 9.5231 9.8772 9.8772 k = 0.2766-0.1299 0.1072 ( 3475 PWs) bands (ev): -34.4046 -34.4046 -34.3990 -34.3990 -15.7058 -15.7058 -15.6709 -15.6709 -15.3612 -15.3612 -15.3233 -15.3233 -15.2543 -15.2543 -15.2423 -15.2423 -8.4962 -8.4962 -8.1426 -8.1426 0.8231 0.8231 1.5112 1.5112 2.2948 2.2948 2.4333 2.4333 2.7345 2.7345 3.1669 3.1669 3.3365 3.3365 4.4826 4.4826 8.3080 8.3080 9.3293 9.3293 9.4687 9.4687 9.8477 9.8477 k = 0.2660-0.1249 0.1030 ( 3481 PWs) bands (ev): -34.4049 -34.4049 -34.3991 -34.3991 -15.7061 -15.7061 -15.6692 -15.6692 -15.3615 -15.3615 -15.3216 -15.3216 -15.2522 -15.2522 -15.2403 -15.2403 -8.5021 -8.5021 -8.1449 -8.1449 0.8126 0.8126 1.5277 1.5277 2.3028 2.3028 2.4361 2.4361 2.7512 2.7512 3.1776 3.1776 3.3249 3.3249 4.4864 4.4864 8.3661 8.3661 9.2815 9.2815 9.4172 9.4172 9.8171 9.8172 k = 0.2553-0.1199 0.0989 ( 3485 PWs) bands (ev): -34.4053 -34.4053 -34.3992 -34.3992 -15.7064 -15.7064 -15.6674 -15.6674 -15.3618 -15.3618 -15.3199 -15.3199 -15.2501 -15.2501 -15.2382 -15.2382 -8.5081 -8.5081 -8.1470 -8.1470 0.8000 0.8000 1.5460 1.5460 2.3103 2.3103 2.4403 2.4403 2.7686 2.7686 3.1891 3.1891 3.3132 3.3132 4.4898 4.4898 8.4231 8.4231 9.2291 9.2291 9.3694 9.3694 9.7846 9.7846 k = 0.2447-0.1149 0.0948 ( 3487 PWs) bands (ev): -34.4056 -34.4056 -34.3993 -34.3993 -15.7067 -15.7067 -15.6657 -15.6657 -15.3621 -15.3621 -15.3184 -15.3184 -15.2479 -15.2479 -15.2360 -15.2360 -8.5144 -8.5144 -8.1489 -8.1489 0.7855 0.7855 1.5659 1.5659 2.3172 2.3172 2.4456 2.4456 2.7867 2.7867 3.2013 3.2013 3.3017 3.3017 4.4930 4.4930 8.4781 8.4781 9.1733 9.1733 9.3255 9.3255 9.7482 9.7482 k = 0.2340-0.1099 0.0907 ( 3492 PWs) bands (ev): -34.4060 -34.4060 -34.3994 -34.3994 -15.7071 -15.7071 -15.6640 -15.6640 -15.3624 -15.3624 -15.3168 -15.3168 -15.2457 -15.2457 -15.2338 -15.2338 -8.5209 -8.5209 -8.1506 -8.1506 0.7694 0.7694 1.5874 1.5874 2.3235 2.3235 2.4518 2.4518 2.8055 2.8055 3.2142 3.2142 3.2904 3.2904 4.4958 4.4958 8.5301 8.5301 9.1153 9.1153 9.2861 9.2861 9.7079 9.7079 k = 0.2234-0.1049 0.0866 ( 3489 PWs) bands (ev): -34.4063 -34.4063 -34.3995 -34.3995 -15.7075 -15.7075 -15.6623 -15.6623 -15.3626 -15.3626 -15.3153 -15.3153 -15.2435 -15.2435 -15.2314 -15.2314 -8.5275 -8.5275 -8.1521 -8.1521 0.7518 0.7518 1.6102 1.6102 2.3291 2.3291 2.4588 2.4588 2.8250 2.8250 3.2275 3.2275 3.2795 3.2795 4.4983 4.4983 8.5776 8.5776 9.0561 9.0561 9.2517 9.2517 9.6659 9.6659 k = 0.2128-0.0999 0.0824 ( 3489 PWs) bands (ev): -34.4066 -34.4066 -34.3996 -34.3996 -15.7079 -15.7079 -15.6606 -15.6606 -15.3629 -15.3629 -15.3138 -15.3138 -15.2413 -15.2413 -15.2291 -15.2291 -8.5342 -8.5342 -8.1534 -8.1534 0.7332 0.7332 1.6342 1.6342 2.3340 2.3340 2.4664 2.4664 2.8451 2.8451 3.2409 3.2409 3.2694 3.2694 4.5004 4.5004 8.6190 8.6190 8.9967 8.9967 9.2235 9.2235 9.6241 9.6241 k = 0.2021-0.0949 0.0783 ( 3492 PWs) bands (ev): -34.4069 -34.4069 -34.3997 -34.3997 -15.7084 -15.7084 -15.6590 -15.6590 -15.3631 -15.3631 -15.3125 -15.3125 -15.2392 -15.2392 -15.2267 -15.2267 -8.5409 -8.5409 -8.1545 -8.1545 0.7136 0.7136 1.6593 1.6593 2.3380 2.3380 2.4743 2.4743 2.8657 2.8657 3.2505 3.2505 3.2639 3.2639 4.5021 4.5021 8.6524 8.6524 8.9377 8.9377 9.2025 9.2025 9.5835 9.5835 k = 0.1915-0.0899 0.0742 ( 3488 PWs) bands (ev): -34.4072 -34.4072 -34.3999 -34.3999 -15.7088 -15.7088 -15.6574 -15.6574 -15.3633 -15.3633 -15.3111 -15.3111 -15.2370 -15.2370 -15.2242 -15.2242 -8.5476 -8.5476 -8.1554 -8.1554 0.6935 0.6935 1.6852 1.6852 2.3412 2.3412 2.4825 2.4825 2.8866 2.8866 3.2454 3.2454 3.2739 3.2739 4.5035 4.5035 8.6758 8.6758 8.8797 8.8797 9.1898 9.1898 9.5451 9.5451 k = 0.1809-0.0849 0.0701 ( 3488 PWs) bands (ev): -34.4075 -34.4075 -34.4000 -34.4000 -15.7092 -15.7092 -15.6559 -15.6559 -15.3635 -15.3635 -15.3099 -15.3099 -15.2349 -15.2349 -15.2218 -15.2218 -8.5543 -8.5543 -8.1562 -8.1562 0.6731 0.6731 1.7119 1.7119 2.3434 2.3434 2.4907 2.4907 2.9078 2.9078 3.2367 3.2367 3.2884 3.2884 4.5044 4.5044 8.6881 8.6881 8.8234 8.8234 9.1852 9.1852 9.5100 9.5100 k = 0.1702-0.0799 0.0659 ( 3484 PWs) bands (ev): -34.4078 -34.4078 -34.4001 -34.4001 -15.7097 -15.7097 -15.6545 -15.6545 -15.3637 -15.3637 -15.3087 -15.3087 -15.2329 -15.2329 -15.2194 -15.2194 -8.5609 -8.5609 -8.1568 -8.1568 0.6526 0.6526 1.7391 1.7391 2.3446 2.3446 2.4989 2.4989 2.9290 2.9290 3.2281 3.2281 3.3034 3.3034 4.5049 4.5049 8.6886 8.6886 8.7699 8.7699 9.1870 9.1870 9.4794 9.4794 k = 0.1596-0.0749 0.0618 ( 3477 PWs) bands (ev): -34.4081 -34.4081 -34.4002 -34.4002 -15.7101 -15.7101 -15.6531 -15.6531 -15.3638 -15.3638 -15.3076 -15.3076 -15.2308 -15.2308 -15.2170 -15.2170 -8.5674 -8.5674 -8.1573 -8.1573 0.6323 0.6323 1.7666 1.7666 2.3449 2.3449 2.5069 2.5069 2.9501 2.9501 3.2201 3.2201 3.3187 3.3187 4.5051 4.5051 8.6760 8.6760 8.7225 8.7225 9.1919 9.1919 9.4548 9.4548 k = 0.1489-0.0699 0.0577 ( 3478 PWs) bands (ev): -34.4084 -34.4084 -34.4003 -34.4003 -15.7106 -15.7106 -15.6518 -15.6518 -15.3640 -15.3640 -15.3065 -15.3065 -15.2289 -15.2289 -15.2147 -15.2147 -8.5737 -8.5737 -8.1577 -8.1577 0.6124 0.6124 1.7943 1.7943 2.3440 2.3440 2.5147 2.5147 2.9708 2.9708 3.2129 3.2129 3.3339 3.3339 4.5049 4.5049 8.6449 8.6449 8.6890 8.6890 9.1956 9.1956 9.4376 9.4376 k = 0.1383-0.0650 0.0536 ( 3478 PWs) bands (ev): -34.4086 -34.4086 -34.4003 -34.4003 -15.7110 -15.7110 -15.6506 -15.6506 -15.3641 -15.3641 -15.3056 -15.3056 -15.2271 -15.2271 -15.2124 -15.2124 -8.5798 -8.5798 -8.1580 -8.1580 0.5930 0.5930 1.8221 1.8221 2.3422 2.3422 2.5220 2.5220 2.9908 2.9908 3.2066 3.2066 3.3488 3.3488 4.5044 4.5044 8.6017 8.6017 8.6655 8.6655 9.1946 9.1946 9.4286 9.4286 k = 0.1277-0.0600 0.0495 ( 3475 PWs) bands (ev): -34.4089 -34.4089 -34.4004 -34.4004 -15.7115 -15.7115 -15.6494 -15.6494 -15.3642 -15.3642 -15.3047 -15.3047 -15.2253 -15.2253 -15.2103 -15.2103 -8.5856 -8.5856 -8.1582 -8.1582 0.5744 0.5744 1.8498 1.8498 2.3392 2.3392 2.5289 2.5289 3.0100 3.0100 3.2013 3.2013 3.3634 3.3634 4.5036 4.5036 8.5572 8.5572 8.6434 8.6434 9.1877 9.1877 9.4268 9.4268 k = 0.1170-0.0550 0.0453 ( 3474 PWs) bands (ev): -34.4091 -34.4091 -34.4005 -34.4005 -15.7119 -15.7119 -15.6484 -15.6484 -15.3643 -15.3643 -15.3039 -15.3039 -15.2236 -15.2236 -15.2082 -15.2082 -8.5911 -8.5911 -8.1583 -8.1583 0.5568 0.5568 1.8772 1.8772 2.3352 2.3352 2.5353 2.5353 3.0280 3.0280 3.1971 3.1971 3.3774 3.3774 4.5025 4.5025 8.5143 8.5143 8.6212 8.6212 9.1759 9.1759 9.4294 9.4294 k = 0.1064-0.0500 0.0412 ( 3471 PWs) bands (ev): -34.4093 -34.4093 -34.4006 -34.4006 -15.7123 -15.7123 -15.6474 -15.6474 -15.3644 -15.3644 -15.3032 -15.3032 -15.2221 -15.2221 -15.2063 -15.2063 -8.5963 -8.5963 -8.1583 -8.1583 0.5402 0.5402 1.9041 1.9041 2.3301 2.3301 2.5411 2.5411 3.0445 3.0445 3.1943 3.1943 3.3908 3.3908 4.5013 4.5013 8.4740 8.4740 8.5993 8.5993 9.1610 9.1610 9.4339 9.4339 k = 0.0957-0.0450 0.0371 ( 3474 PWs) bands (ev): -34.4095 -34.4095 -34.4007 -34.4007 -15.7127 -15.7127 -15.6465 -15.6465 -15.3645 -15.3645 -15.3025 -15.3025 -15.2207 -15.2207 -15.2045 -15.2045 -8.6011 -8.6011 -8.1583 -8.1583 0.5248 0.5248 1.9304 1.9304 2.3240 2.3240 2.5463 2.5463 3.0591 3.0591 3.1929 3.1929 3.4034 3.4034 4.4998 4.4998 8.4368 8.4368 8.5782 8.5782 9.1448 9.1448 9.4384 9.4384 k = 0.0851-0.0400 0.0330 ( 3473 PWs) bands (ev): -34.4096 -34.4096 -34.4007 -34.4007 -15.7130 -15.7130 -15.6456 -15.6456 -15.3646 -15.3646 -15.3019 -15.3019 -15.2194 -15.2194 -15.2028 -15.2028 -8.6054 -8.6054 -8.1583 -8.1583 0.5107 0.5107 1.9558 1.9558 2.3171 2.3171 2.5508 2.5508 3.0716 3.0716 3.1930 3.1930 3.4150 3.4150 4.4983 4.4983 8.4029 8.4029 8.5583 8.5583 9.1288 9.1288 9.4422 9.4422 k = 0.0745-0.0350 0.0289 ( 3474 PWs) bands (ev): -34.4098 -34.4098 -34.4008 -34.4008 -15.7133 -15.7133 -15.6449 -15.6449 -15.3646 -15.3646 -15.3014 -15.3014 -15.2182 -15.2182 -15.2013 -15.2013 -8.6093 -8.6093 -8.1583 -8.1583 0.4981 0.4981 1.9802 1.9802 2.3093 2.3093 2.5548 2.5548 3.0818 3.0818 3.1946 3.1946 3.4256 3.4256 4.4968 4.4968 8.3726 8.3726 8.5401 8.5401 9.1136 9.1136 9.4451 9.4451 k = 0.0638-0.0300 0.0247 ( 3475 PWs) bands (ev): -34.4099 -34.4099 -34.4009 -34.4009 -15.7136 -15.7136 -15.6443 -15.6443 -15.3647 -15.3647 -15.3010 -15.3010 -15.2172 -15.2172 -15.2000 -15.2000 -8.6128 -8.6128 -8.1582 -8.1582 0.4870 0.4870 2.0032 2.0032 2.3009 2.3009 2.5582 2.5582 3.0897 3.0897 3.1973 3.1973 3.4350 3.4350 4.4953 4.4953 8.3459 8.3459 8.5238 8.5238 9.0998 9.0998 9.4470 9.4470 k = 0.0532-0.0250 0.0206 ( 3473 PWs) bands (ev): -34.4100 -34.4100 -34.4009 -34.4009 -15.7139 -15.7139 -15.6438 -15.6438 -15.3647 -15.3647 -15.3006 -15.3006 -15.2163 -15.2163 -15.1989 -15.1989 -8.6158 -8.6158 -8.1581 -8.1581 0.4775 0.4775 2.0245 2.0245 2.2921 2.2921 2.5610 2.5610 3.0955 3.0955 3.2009 3.2009 3.4432 3.4432 4.4939 4.4939 8.3231 8.3231 8.5097 8.5097 9.0877 9.0877 9.4484 9.4484 k = 0.0426-0.0200 0.0165 ( 3468 PWs) bands (ev): -34.4101 -34.4101 -34.4009 -34.4009 -15.7141 -15.7141 -15.6433 -15.6433 -15.3647 -15.3647 -15.3003 -15.3003 -15.2155 -15.2155 -15.1980 -15.1980 -8.6182 -8.6182 -8.1581 -8.1581 0.4696 0.4696 2.0436 2.0436 2.2833 2.2833 2.5632 2.5632 3.0997 3.0997 3.2048 3.2048 3.4500 3.4500 4.4927 4.4927 8.3042 8.3042 8.4980 8.4980 9.0777 9.0777 9.4492 9.4492 k = 0.0319-0.0150 0.0124 ( 3466 PWs) bands (ev): -34.4102 -34.4102 -34.4010 -34.4010 -15.7142 -15.7142 -15.6430 -15.6430 -15.3648 -15.3648 -15.3000 -15.3000 -15.2150 -15.2150 -15.1972 -15.1972 -8.6201 -8.6201 -8.1580 -8.1580 0.4634 0.4634 2.0600 2.0600 2.2750 2.2750 2.5649 2.5649 3.1025 3.1025 3.2084 3.2084 3.4554 3.4554 4.4917 4.4917 8.2895 8.2895 8.4887 8.4887 9.0698 9.0698 9.4497 9.4497 k = 0.0213-0.0100 0.0082 ( 3467 PWs) bands (ev): -34.4103 -34.4103 -34.4010 -34.4010 -15.7143 -15.7143 -15.6427 -15.6427 -15.3648 -15.3648 -15.2999 -15.2999 -15.2145 -15.2145 -15.1967 -15.1967 -8.6215 -8.6215 -8.1580 -8.1580 0.4589 0.4589 2.0727 2.0727 2.2682 2.2682 2.5661 2.5661 3.1043 3.1043 3.2113 3.2113 3.4593 3.4593 4.4909 4.4909 8.2789 8.2789 8.4820 8.4820 9.0640 9.0640 9.4500 9.4500 k = 0.0106-0.0050 0.0041 ( 3471 PWs) bands (ev): -34.4103 -34.4103 -34.4010 -34.4010 -15.7144 -15.7144 -15.6426 -15.6426 -15.3648 -15.3648 -15.2998 -15.2998 -15.2143 -15.2143 -15.1964 -15.1964 -8.6224 -8.6224 -8.1580 -8.1580 0.4563 0.4563 2.0809 2.0809 2.2635 2.2635 2.5668 2.5668 3.1052 3.1052 3.2131 3.2131 3.4616 3.4616 4.4904 4.4904 8.2725 8.2725 8.4779 8.4779 9.0606 9.0606 9.4501 9.4501 k = 0.0000 0.0000 0.0000 ( 3469 PWs) bands (ev): -34.4103 -34.4103 -34.4010 -34.4010 -15.7144 -15.7144 -15.6425 -15.6425 -15.3648 -15.3648 -15.2997 -15.2997 -15.2142 -15.2142 -15.1963 -15.1963 -8.6226 -8.6226 -8.1579 -8.1579 0.4554 0.4554 2.0838 2.0838 2.2618 2.2618 2.5670 2.5670 3.1055 3.1055 3.2138 3.2138 3.4624 3.4624 4.4903 4.4903 8.2704 8.2704 8.4766 8.4766 9.0594 9.0594 9.4502 9.4502 k = 0.0000 0.0000 0.0000 ( 3469 PWs) bands (ev): -34.4103 -34.4103 -34.4010 -34.4010 -15.7144 -15.7144 -15.6425 -15.6425 -15.3648 -15.3648 -15.2997 -15.2997 -15.2142 -15.2142 -15.1963 -15.1963 -8.6226 -8.6226 -8.1579 -8.1579 0.4554 0.4554 2.0838 2.0838 2.2618 2.2618 2.5670 2.5670 3.1055 3.1055 3.2138 3.2138 3.4624 3.4624 4.4903 4.4903 8.2704 8.2704 8.4766 8.4766 9.0594 9.0594 9.4502 9.4502 k = 0.0000 0.0118 0.0041 ( 3467 PWs) bands (ev): -34.4103 -34.4103 -34.4010 -34.4010 -15.7144 -15.7144 -15.6426 -15.6426 -15.3648 -15.3648 -15.2998 -15.2998 -15.2143 -15.2143 -15.1963 -15.1963 -8.6224 -8.6224 -8.1580 -8.1580 0.4565 0.4565 2.0777 2.0777 2.2654 2.2654 2.5674 2.5674 3.1066 3.1066 3.2130 3.2130 3.4612 3.4612 4.4903 4.4903 8.2718 8.2718 8.4777 8.4777 9.0607 9.0607 9.4493 9.4493 k = 0.0000 0.0236 0.0082 ( 3465 PWs) bands (ev): -34.4103 -34.4103 -34.4010 -34.4010 -15.7143 -15.7143 -15.6427 -15.6427 -15.3649 -15.3649 -15.3000 -15.3000 -15.2144 -15.2144 -15.1965 -15.1965 -8.6215 -8.6215 -8.1580 -8.1580 0.4599 0.4599 2.0610 2.0610 2.2750 2.2750 2.5684 2.5684 3.1098 3.1098 3.2105 3.2105 3.4575 3.4575 4.4903 4.4903 8.2760 8.2760 8.4809 8.4809 9.0645 9.0645 9.4463 9.4463 k = 0.0000 0.0354 0.0123 ( 3471 PWs) bands (ev): -34.4102 -34.4102 -34.4010 -34.4010 -15.7143 -15.7143 -15.6430 -15.6430 -15.3650 -15.3650 -15.3003 -15.3003 -15.2146 -15.2146 -15.1968 -15.1968 -8.6201 -8.6201 -8.1582 -8.1582 0.4655 0.4655 2.0364 2.0364 2.2875 2.2875 2.5700 2.5700 3.1150 3.1150 3.2063 3.2063 3.4516 3.4516 4.4903 4.4903 8.2830 8.2830 8.4862 8.4862 9.0709 9.0709 9.4410 9.4410 k = 0.0000 0.0473 0.0164 ( 3468 PWs) bands (ev): -34.4102 -34.4102 -34.4009 -34.4009 -15.7142 -15.7142 -15.6434 -15.6434 -15.3651 -15.3651 -15.3008 -15.3008 -15.2149 -15.2149 -15.1971 -15.1971 -8.6182 -8.6182 -8.1583 -8.1583 0.4734 0.4734 2.0064 2.0064 2.3009 2.3009 2.5723 2.5723 3.1222 3.1222 3.2006 3.2006 3.4434 3.4434 4.4902 4.4902 8.2924 8.2924 8.4934 8.4934 9.0799 9.0799 9.4325 9.4325 k = 0.0000 0.0591 0.0205 ( 3468 PWs) bands (ev): -34.4101 -34.4101 -34.4009 -34.4009 -15.7140 -15.7140 -15.6439 -15.6439 -15.3653 -15.3653 -15.3013 -15.3013 -15.2152 -15.2152 -15.1976 -15.1976 -8.6157 -8.6157 -8.1585 -8.1585 0.4835 0.4835 1.9728 1.9728 2.3135 2.3135 2.5750 2.5750 3.1310 3.1310 3.1935 3.1935 3.4332 3.4332 4.4900 4.4900 8.3042 8.3042 8.5024 8.5024 9.0917 9.0917 9.4202 9.4202 k = 0.0000 0.0709 0.0246 ( 3471 PWs) bands (ev): -34.4100 -34.4100 -34.4009 -34.4009 -15.7139 -15.7139 -15.6445 -15.6445 -15.3655 -15.3655 -15.3020 -15.3020 -15.2156 -15.2156 -15.1982 -15.1982 -8.6128 -8.6128 -8.1587 -8.1587 0.4958 0.4958 1.9364 1.9364 2.3246 2.3246 2.5781 2.5781 3.1411 3.1411 3.1851 3.1851 3.4213 3.4213 4.4895 4.4895 8.3179 8.3179 8.5130 8.5130 9.1062 9.1062 9.4036 9.4036 k = 0.0000 0.0827 0.0287 ( 3468 PWs) bands (ev): -34.4099 -34.4099 -34.4008 -34.4008 -15.7136 -15.7136 -15.6452 -15.6452 -15.3657 -15.3657 -15.3029 -15.3029 -15.2161 -15.2161 -15.1988 -15.1988 -8.6093 -8.6093 -8.1589 -8.1589 0.5102 0.5102 1.8981 1.8981 2.3338 2.3338 2.5815 2.5815 3.1511 3.1511 3.1768 3.1768 3.4082 3.4082 4.4887 4.4887 8.3329 8.3329 8.5251 8.5251 9.1237 9.1237 9.3826 9.3826 k = 0.0000 0.0945 0.0328 ( 3467 PWs) bands (ev): -34.4098 -34.4098 -34.4007 -34.4007 -15.7134 -15.7134 -15.6460 -15.6460 -15.3660 -15.3660 -15.3038 -15.3038 -15.2167 -15.2167 -15.1996 -15.1996 -8.6054 -8.6054 -8.1592 -8.1592 0.5266 0.5266 1.8583 1.8583 2.3410 2.3410 2.5852 2.5852 3.1538 3.1538 3.1750 3.1750 3.3942 3.3942 4.4875 4.4875 8.3484 8.3484 8.5387 8.5387 9.1441 9.1441 9.3577 9.3577 k = 0.0000 0.1063 0.0369 ( 3469 PWs) bands (ev): -34.4096 -34.4096 -34.4007 -34.4007 -15.7132 -15.7132 -15.6469 -15.6469 -15.3663 -15.3663 -15.3049 -15.3049 -15.2173 -15.2173 -15.2004 -15.2004 -8.6010 -8.6010 -8.1594 -8.1594 0.5451 0.5451 1.8174 1.8174 2.3461 2.3461 2.5890 2.5890 3.1442 3.1442 3.1842 3.1842 3.3803 3.3803 4.4857 4.4857 8.3633 8.3633 8.5539 8.5539 9.1674 9.1674 9.3303 9.3303 k = 0.0000 0.1181 0.0410 ( 3474 PWs) bands (ev): -34.4095 -34.4095 -34.4006 -34.4006 -15.7130 -15.7130 -15.6479 -15.6479 -15.3667 -15.3667 -15.3061 -15.3061 -15.2180 -15.2180 -15.2013 -15.2013 -8.5963 -8.5963 -8.1596 -8.1596 0.5655 0.5655 1.7756 1.7756 2.3491 2.3491 2.5929 2.5929 3.1305 3.1305 3.1952 3.1952 3.3675 3.3675 4.4831 4.4831 8.3758 8.3758 8.5713 8.5713 9.1935 9.1935 9.3019 9.3019 k = 0.0000 0.1299 0.0450 ( 3479 PWs) bands (ev): -34.4093 -34.4093 -34.4005 -34.4005 -15.7127 -15.7127 -15.6490 -15.6490 -15.3671 -15.3671 -15.3074 -15.3074 -15.2187 -15.2187 -15.2022 -15.2022 -8.5911 -8.5911 -8.1598 -8.1598 0.5878 0.5878 1.7333 1.7333 2.3502 2.3502 2.5969 2.5969 3.1149 3.1149 3.2041 3.2041 3.3575 3.3575 4.4798 4.4798 8.3841 8.3841 8.5917 8.5917 9.2212 9.2212 9.2757 9.2757 k = 0.0000 0.1418 0.0491 ( 3478 PWs) bands (ev): -34.4091 -34.4091 -34.4004 -34.4004 -15.7124 -15.7124 -15.6502 -15.6502 -15.3675 -15.3675 -15.3088 -15.3088 -15.2195 -15.2195 -15.2032 -15.2032 -8.5857 -8.5857 -8.1600 -8.1600 0.6119 0.6119 1.6906 1.6906 2.3496 2.3496 2.6009 2.6009 3.0979 3.0979 3.2083 3.2083 3.3526 3.3526 4.4756 4.4756 8.3861 8.3861 8.6158 8.6158 9.2356 9.2356 9.2683 9.2683 k = 0.0000 0.1536 0.0532 ( 3475 PWs) bands (ev): -34.4089 -34.4089 -34.4004 -34.4004 -15.7122 -15.7122 -15.6514 -15.6514 -15.3679 -15.3679 -15.3103 -15.3103 -15.2203 -15.2203 -15.2043 -15.2043 -8.5799 -8.5799 -8.1600 -8.1600 0.6375 0.6375 1.6478 1.6478 2.3474 2.3474 2.6050 2.6050 3.0796 3.0796 3.2061 3.2061 3.3545 3.3545 4.4704 4.4704 8.3800 8.3800 8.6442 8.6442 9.2202 9.2202 9.2980 9.2980 k = 0.0000 0.1654 0.0573 ( 3476 PWs) bands (ev): -34.4087 -34.4087 -34.4003 -34.4003 -15.7119 -15.7119 -15.6528 -15.6528 -15.3683 -15.3683 -15.3119 -15.3119 -15.2211 -15.2211 -15.2053 -15.2053 -8.5739 -8.5739 -8.1600 -8.1600 0.6647 0.6647 1.6051 1.6051 2.3438 2.3438 2.6091 2.6091 3.0603 3.0603 3.1976 3.1976 3.3631 3.3631 4.4640 4.4640 8.3650 8.3650 8.6770 8.6770 9.2049 9.2049 9.3359 9.3359 k = 0.0000 0.1772 0.0614 ( 3476 PWs) bands (ev): -34.4085 -34.4085 -34.4001 -34.4001 -15.7116 -15.7116 -15.6543 -15.6543 -15.3687 -15.3687 -15.3136 -15.3136 -15.2220 -15.2220 -15.2065 -15.2065 -8.5677 -8.5677 -8.1599 -8.1599 0.6933 0.6933 1.5626 1.5626 2.3390 2.3390 2.6132 2.6132 3.0400 3.0400 3.1842 3.1842 3.3767 3.3767 4.4564 4.4564 8.3407 8.3407 8.7140 8.7140 9.1953 9.1953 9.3772 9.3772 k = 0.0000 0.1890 0.0655 ( 3472 PWs) bands (ev): -34.4083 -34.4083 -34.4000 -34.4000 -15.7113 -15.7113 -15.6558 -15.6558 -15.3692 -15.3692 -15.3154 -15.3154 -15.2229 -15.2229 -15.2076 -15.2076 -8.5614 -8.5614 -8.1596 -8.1596 0.7230 0.7230 1.5207 1.5207 2.3332 2.3332 2.6172 2.6172 3.0187 3.0187 3.1679 3.1679 3.3937 3.3937 4.4476 4.4476 8.3078 8.3078 8.7548 8.7548 9.1924 9.1924 9.4212 9.4212 k = 0.0000 0.2008 0.0696 ( 3472 PWs) bands (ev): -34.4081 -34.4081 -34.3999 -34.3999 -15.7110 -15.7110 -15.6574 -15.6574 -15.3696 -15.3696 -15.3172 -15.3172 -15.2238 -15.2238 -15.2087 -15.2087 -8.5549 -8.5549 -8.1592 -8.1592 0.7536 0.7536 1.4795 1.4795 2.3266 2.3266 2.6212 2.6212 2.9967 2.9967 3.1500 3.1500 3.4127 3.4127 4.4374 4.4374 8.2671 8.2671 8.7989 8.7989 9.1962 9.1962 9.4675 9.4675 k = 0.0000 0.2126 0.0737 ( 3470 PWs) bands (ev): -34.4078 -34.4078 -34.3998 -34.3998 -15.7108 -15.7108 -15.6590 -15.6590 -15.3700 -15.3700 -15.3191 -15.3191 -15.2247 -15.2247 -15.2098 -15.2098 -8.5484 -8.5484 -8.1587 -8.1587 0.7848 0.7848 1.4393 1.4393 2.3196 2.3196 2.6250 2.6250 2.9740 2.9740 3.1316 3.1316 3.4327 3.4327 4.4258 4.4258 8.2198 8.2198 8.8459 8.8459 9.2063 9.2063 9.5154 9.5154 k = 0.0000 0.2244 0.0778 ( 3474 PWs) bands (ev): -34.4076 -34.4076 -34.3997 -34.3997 -15.7105 -15.7105 -15.6607 -15.6607 -15.3705 -15.3705 -15.3211 -15.3211 -15.2256 -15.2256 -15.2110 -15.2110 -8.5418 -8.5418 -8.1579 -8.1579 0.8163 0.8163 1.4004 1.4004 2.3122 2.3122 2.6285 2.6285 2.9507 2.9507 3.1132 3.1132 3.4532 3.4532 4.4127 4.4127 8.1672 8.1672 8.8955 8.8955 9.2223 9.2223 9.5646 9.5646 k = 0.0000 0.2363 0.0819 ( 3471 PWs) bands (ev): -34.4074 -34.4074 -34.3996 -34.3996 -15.7103 -15.7103 -15.6625 -15.6625 -15.3710 -15.3710 -15.3231 -15.3231 -15.2265 -15.2265 -15.2121 -15.2121 -8.5353 -8.5353 -8.1570 -8.1570 0.8474 0.8474 1.3634 1.3634 2.3048 2.3048 2.6317 2.6317 2.9269 2.9269 3.0953 3.0953 3.4738 3.4738 4.3981 4.3981 8.1105 8.1105 8.9474 8.9474 9.2435 9.2435 9.6145 9.6145 k = 0.0000 0.2481 0.0860 ( 3473 PWs) bands (ev): -34.4071 -34.4071 -34.3995 -34.3995 -15.7101 -15.7101 -15.6643 -15.6643 -15.3714 -15.3714 -15.3252 -15.3252 -15.2275 -15.2275 -15.2132 -15.2132 -8.5289 -8.5289 -8.1559 -8.1559 0.8776 0.8776 1.3288 1.3288 2.2975 2.2975 2.6345 2.6345 2.9029 2.9029 3.0782 3.0782 3.4942 3.4942 4.3819 4.3819 8.0508 8.0508 9.0012 9.0012 9.2696 9.2696 9.6646 9.6646 k = 0.0000 0.2599 0.0901 ( 3476 PWs) bands (ev): -34.4069 -34.4069 -34.3993 -34.3993 -15.7099 -15.7099 -15.6662 -15.6662 -15.3719 -15.3719 -15.3273 -15.3273 -15.2284 -15.2284 -15.2142 -15.2142 -8.5227 -8.5227 -8.1546 -8.1546 0.9057 0.9057 1.2975 1.2975 2.2907 2.2907 2.6368 2.6368 2.8788 2.8788 3.0622 3.0622 3.5142 3.5142 4.3643 4.3643 7.9891 7.9891 9.0567 9.0567 9.3000 9.3000 9.7143 9.7143 k = 0.0000 0.2717 0.0942 ( 3480 PWs) bands (ev): -34.4066 -34.4066 -34.3992 -34.3992 -15.7098 -15.7098 -15.6681 -15.6681 -15.3723 -15.3723 -15.3294 -15.3294 -15.2293 -15.2293 -15.2153 -15.2153 -8.5166 -8.5166 -8.1530 -8.1530 0.9302 0.9302 1.2710 1.2710 2.2847 2.2847 2.6384 2.6384 2.8547 2.8547 3.0474 3.0474 3.5336 3.5336 4.3451 4.3451 7.9262 7.9262 9.1136 9.1136 9.3345 9.3345 9.7630 9.7630 k = 0.0000 0.2835 0.0983 ( 3476 PWs) bands (ev): -34.4064 -34.4064 -34.3991 -34.3991 -15.7097 -15.7097 -15.6699 -15.6699 -15.3727 -15.3727 -15.3315 -15.3315 -15.2301 -15.2301 -15.2163 -15.2163 -8.5107 -8.5107 -8.1512 -8.1512 0.9492 0.9492 1.2511 1.2511 2.2796 2.2796 2.6393 2.6393 2.8307 2.8307 3.0341 3.0341 3.5522 3.5522 4.3245 4.3245 7.8628 7.8628 9.1716 9.1716 9.3728 9.3728 9.8099 9.8099 k = 0.0000 0.2953 0.1024 ( 3474 PWs) bands (ev): -34.4061 -34.4061 -34.3990 -34.3990 -15.7095 -15.7095 -15.6719 -15.6719 -15.3731 -15.3731 -15.3336 -15.3336 -15.2309 -15.2309 -15.2173 -15.2173 -8.5050 -8.5050 -8.1492 -8.1492 0.9604 0.9604 1.2399 1.2399 2.2757 2.2757 2.6393 2.6393 2.8071 2.8071 3.0222 3.0222 3.5700 3.5700 4.3025 4.3025 7.7995 7.7995 9.2304 9.2304 9.4147 9.4147 9.8546 9.8546 k = 0.0000 0.3071 0.1065 ( 3470 PWs) bands (ev): -34.4059 -34.4059 -34.3988 -34.3988 -15.7094 -15.7094 -15.6738 -15.6738 -15.3735 -15.3735 -15.3357 -15.3357 -15.2317 -15.2317 -15.2182 -15.2182 -8.4996 -8.4996 -8.1470 -8.1470 0.9621 0.9621 1.2387 1.2387 2.2734 2.2734 2.6385 2.6385 2.7839 2.7839 3.0120 3.0120 3.5868 3.5868 4.2792 4.2792 7.7368 7.7368 9.2896 9.2896 9.4602 9.4602 9.8964 9.8964 k = 0.0000 0.3190 0.1106 ( 3469 PWs) bands (ev): -34.4056 -34.4056 -34.3987 -34.3987 -15.7094 -15.7094 -15.6757 -15.6757 -15.3738 -15.3738 -15.3377 -15.3377 -15.2325 -15.2325 -15.2191 -15.2191 -8.4945 -8.4945 -8.1446 -8.1446 0.9547 0.9547 1.2471 1.2471 2.2729 2.2729 2.6368 2.6368 2.7613 2.7613 3.0033 3.0033 3.6025 3.6025 4.2546 4.2546 7.6752 7.6752 9.3490 9.3490 9.5090 9.5090 9.9348 9.9348 k = 0.0000 0.3308 0.1147 ( 3465 PWs) bands (ev): -34.4054 -34.4054 -34.3986 -34.3986 -15.7093 -15.7093 -15.6775 -15.6775 -15.3742 -15.3742 -15.3397 -15.3397 -15.2332 -15.2332 -15.2200 -15.2200 -8.4898 -8.4898 -8.1420 -8.1420 0.9403 0.9403 1.2627 1.2627 2.2743 2.2743 2.6341 2.6341 2.7394 2.7394 2.9962 2.9962 3.6169 3.6169 4.2290 4.2290 7.6150 7.6150 9.4082 9.4082 9.5612 9.5612 9.9695 9.9695 k = 0.0000 0.3426 0.1188 ( 3462 PWs) bands (ev): -34.4051 -34.4051 -34.3985 -34.3985 -15.7093 -15.7093 -15.6794 -15.6794 -15.3745 -15.3745 -15.3417 -15.3417 -15.2339 -15.2339 -15.2208 -15.2208 -8.4853 -8.4853 -8.1393 -8.1393 0.9212 0.9212 1.2829 1.2829 2.2780 2.2780 2.6306 2.6306 2.7184 2.7184 2.9907 2.9907 3.6299 3.6299 4.2026 4.2026 7.5566 7.5566 9.4671 9.4671 9.6164 9.6164 10.0002 10.0002 k = 0.0000 0.3544 0.1229 ( 3460 PWs) bands (ev): -34.4049 -34.4049 -34.3984 -34.3984 -15.7093 -15.7093 -15.6812 -15.6812 -15.3748 -15.3748 -15.3436 -15.3436 -15.2346 -15.2346 -15.2216 -15.2216 -8.4812 -8.4812 -8.1364 -8.1364 0.8995 0.8995 1.3054 1.3054 2.2841 2.2841 2.6262 2.6262 2.6984 2.6984 2.9866 2.9866 3.6413 3.6413 4.1756 4.1756 7.5002 7.5002 9.5254 9.5254 9.6744 9.6744 10.0270 10.0270 k = 0.0000 0.3662 0.1269 ( 3460 PWs) bands (ev): -34.4047 -34.4047 -34.3983 -34.3983 -15.7093 -15.7093 -15.6830 -15.6830 -15.3750 -15.3750 -15.3455 -15.3455 -15.2352 -15.2352 -15.2224 -15.2224 -8.4774 -8.4774 -8.1334 -8.1334 0.8767 0.8767 1.3286 1.3286 2.2928 2.2928 2.6209 2.6209 2.6795 2.6795 2.9838 2.9838 3.6509 3.6509 4.1483 4.1483 7.4462 7.4462 9.5830 9.5830 9.7346 9.7346 10.0500 10.0500 k = 0.0000 0.3780 0.1310 ( 3462 PWs) bands (ev): -34.4045 -34.4045 -34.3982 -34.3982 -15.7093 -15.7093 -15.6848 -15.6848 -15.3753 -15.3753 -15.3472 -15.3472 -15.2358 -15.2358 -15.2231 -15.2231 -8.4740 -8.4740 -8.1304 -8.1304 0.8537 0.8537 1.3514 1.3514 2.3040 2.3040 2.6150 2.6150 2.6619 2.6619 2.9822 2.9822 3.6585 3.6585 4.1211 4.1211 7.3948 7.3948 9.6398 9.6398 9.7967 9.7967 10.0699 10.0699 k = 0.0000 0.3898 0.1351 ( 3464 PWs) bands (ev): -34.4043 -34.4043 -34.3981 -34.3981 -15.7094 -15.7094 -15.6864 -15.6864 -15.3755 -15.3755 -15.3489 -15.3489 -15.2364 -15.2364 -15.2238 -15.2238 -8.4709 -8.4709 -8.1273 -8.1273 0.8311 0.8311 1.3730 1.3730 2.3178 2.3178 2.6081 2.6081 2.6461 2.6461 2.9815 2.9815 3.6638 3.6638 4.0945 4.0945 7.3462 7.3462 9.6956 9.6956 9.8598 9.8598 10.0872 10.0872 k = 0.0000 0.4016 0.1392 ( 3463 PWs) bands (ev): -34.4041 -34.4041 -34.3980 -34.3980 -15.7095 -15.7095 -15.6880 -15.6880 -15.3757 -15.3757 -15.3505 -15.3505 -15.2369 -15.2369 -15.2244 -15.2244 -8.4681 -8.4681 -8.1242 -8.1242 0.8093 0.8093 1.3931 1.3931 2.3340 2.3340 2.6003 2.6003 2.6322 2.6322 2.9817 2.9817 3.6666 3.6666 4.0689 4.0689 7.3005 7.3005 9.7501 9.7501 9.9231 9.9231 10.1030 10.1030 k = 0.0000 0.4135 0.1433 ( 3464 PWs) bands (ev): -34.4039 -34.4039 -34.3979 -34.3979 -15.7095 -15.7095 -15.6895 -15.6895 -15.3759 -15.3759 -15.3520 -15.3520 -15.2374 -15.2374 -15.2250 -15.2250 -8.4656 -8.4656 -8.1212 -8.1212 0.7886 0.7886 1.4112 1.4112 2.3524 2.3524 2.5914 2.5914 2.6206 2.6206 2.9826 2.9826 3.6666 3.6666 4.0450 4.0450 7.2580 7.2580 9.8027 9.8027 9.9856 9.9856 10.1190 10.1190 k = 0.0000 0.4253 0.1474 ( 3464 PWs) bands (ev): -34.4037 -34.4037 -34.3978 -34.3978 -15.7096 -15.7096 -15.6910 -15.6910 -15.3760 -15.3760 -15.3535 -15.3535 -15.2378 -15.2378 -15.2255 -15.2255 -8.4634 -8.4634 -8.1183 -8.1183 0.7693 0.7693 1.4273 1.4273 2.3724 2.3724 2.5817 2.5817 2.6115 2.6115 2.9841 2.9841 3.6635 3.6635 4.0233 4.0233 7.2187 7.2187 9.8524 9.8524 10.0451 10.0451 10.1380 10.1380 k = 0.0000 0.4371 0.1515 ( 3466 PWs) bands (ev): -34.4036 -34.4036 -34.3977 -34.3977 -15.7096 -15.7096 -15.6923 -15.6923 -15.3761 -15.3761 -15.3547 -15.3547 -15.2382 -15.2382 -15.2260 -15.2260 -8.4614 -8.4614 -8.1155 -8.1155 0.7514 0.7514 1.4413 1.4413 2.3935 2.3935 2.5716 2.5716 2.6044 2.6044 2.9859 2.9859 3.6573 3.6573 4.0042 4.0042 7.1828 7.1828 9.8976 9.8976 10.0972 10.0972 10.1656 10.1656 k = 0.0000 0.4489 0.1556 ( 3466 PWs) bands (ev): -34.4035 -34.4035 -34.3977 -34.3977 -15.7097 -15.7097 -15.6935 -15.6935 -15.3762 -15.3762 -15.3559 -15.3559 -15.2385 -15.2385 -15.2264 -15.2264 -8.4598 -8.4598 -8.1129 -8.1129 0.7352 0.7352 1.4533 1.4533 2.4151 2.4151 2.5619 2.5619 2.5990 2.5990 2.9879 2.9879 3.6482 3.6482 3.9880 3.9880 7.1504 7.1504 9.9366 9.9366 10.1374 10.1374 10.2074 10.2074 k = 0.0000 0.4607 0.1597 ( 3466 PWs) bands (ev): -34.4033 -34.4033 -34.3976 -34.3976 -15.7097 -15.7097 -15.6946 -15.6946 -15.3763 -15.3763 -15.3570 -15.3570 -15.2388 -15.2388 -15.2268 -15.2268 -8.4583 -8.4583 -8.1105 -8.1105 0.7207 0.7207 1.4634 1.4634 2.4361 2.4361 2.5529 2.5529 2.5951 2.5951 2.9901 2.9901 3.6366 3.6366 3.9748 3.9748 7.1216 7.1216 9.9676 9.9676 10.1715 10.1715 10.2585 10.2585 k = 0.0000 0.4725 0.1638 ( 3465 PWs) bands (ev): -34.4032 -34.4032 -34.3976 -34.3976 -15.7097 -15.7097 -15.6956 -15.6956 -15.3764 -15.3764 -15.3579 -15.3579 -15.2391 -15.2391 -15.2271 -15.2271 -8.4571 -8.4571 -8.1083 -8.1083 0.7080 0.7080 1.4717 1.4717 2.4558 2.4558 2.5450 2.5450 2.5928 2.5928 2.9923 2.9923 3.6233 3.6233 3.9645 3.9645 7.0965 7.0965 9.9903 9.9903 10.2068 10.2068 10.3108 10.3108 k = 0.0000 0.4843 0.1679 ( 3468 PWs) bands (ev): -34.4031 -34.4031 -34.3975 -34.3975 -15.7098 -15.7098 -15.6964 -15.6964 -15.3764 -15.3764 -15.3587 -15.3587 -15.2393 -15.2393 -15.2274 -15.2274 -8.4561 -8.4561 -8.1064 -8.1064 0.6971 0.6971 1.4785 1.4785 2.4729 2.4729 2.5384 2.5384 2.5922 2.5922 2.9945 2.9945 3.6093 3.6093 3.9566 3.9566 7.0752 7.0752 10.0057 10.0057 10.2444 10.2444 10.3603 10.3603 k = 0.0000 0.4961 0.1720 ( 3473 PWs) bands (ev): -34.4031 -34.4031 -34.3975 -34.3975 -15.7098 -15.7098 -15.6971 -15.6971 -15.3765 -15.3765 -15.3594 -15.3594 -15.2395 -15.2395 -15.2276 -15.2276 -8.4553 -8.4553 -8.1048 -8.1048 0.6881 0.6881 1.4838 1.4838 2.4865 2.4865 2.5333 2.5333 2.5933 2.5933 2.9964 2.9964 3.5958 3.5958 3.9509 3.9509 7.0577 7.0577 10.0157 10.0157 10.2825 10.2825 10.4045 10.4045 k = 0.0000 0.5080 0.1761 ( 3470 PWs) bands (ev): -34.4030 -34.4030 -34.3974 -34.3974 -15.7098 -15.7098 -15.6977 -15.6977 -15.3765 -15.3765 -15.3599 -15.3599 -15.2396 -15.2396 -15.2278 -15.2278 -8.4547 -8.4547 -8.1036 -8.1036 0.6811 0.6811 1.4877 1.4877 2.4960 2.4960 2.5298 2.5298 2.5957 2.5957 2.9981 2.9981 3.5838 3.5838 3.9469 3.9469 7.0440 7.0440 10.0220 10.0220 10.3184 10.3184 10.4412 10.4412 k = 0.0000 0.5198 0.1802 ( 3468 PWs) bands (ev): -34.4030 -34.4030 -34.3974 -34.3974 -15.7098 -15.7098 -15.6981 -15.6981 -15.3765 -15.3765 -15.3603 -15.3603 -15.2397 -15.2397 -15.2279 -15.2279 -8.4543 -8.4543 -8.1027 -8.1027 0.6761 0.6761 1.4905 1.4905 2.5016 2.5016 2.5280 2.5280 2.5986 2.5986 2.9993 2.9993 3.5744 3.5744 3.9443 3.9443 7.0342 7.0342 10.0258 10.0258 10.3486 10.3486 10.4683 10.4683 k = 0.0000 0.5316 0.1843 ( 3465 PWs) bands (ev): -34.4029 -34.4029 -34.3974 -34.3974 -15.7098 -15.7098 -15.6983 -15.6983 -15.3765 -15.3765 -15.3605 -15.3605 -15.2398 -15.2398 -15.2280 -15.2280 -8.4540 -8.4540 -8.1021 -8.1021 0.6731 0.6731 1.4921 1.4921 2.5041 2.5041 2.5274 2.5274 2.6009 2.6009 3.0001 3.0001 3.5684 3.5684 3.9428 3.9428 7.0283 7.0283 10.0278 10.0278 10.3694 10.3694 10.4845 10.4845 k = 0.0000 0.5434 0.1884 ( 3464 PWs) bands (ev): -34.4029 -34.4029 -34.3974 -34.3974 -15.7098 -15.7098 -15.6984 -15.6984 -15.3765 -15.3765 -15.3606 -15.3606 -15.2398 -15.2398 -15.2280 -15.2280 -8.4539 -8.4539 -8.1019 -8.1019 0.6721 0.6721 1.4926 1.4926 2.5048 2.5048 2.5273 2.5273 2.6018 2.6018 3.0004 3.0004 3.5663 3.5663 3.9424 3.9424 7.0263 7.0263 10.0285 10.0285 10.3769 10.3769 10.4898 10.4898 k = 0.5000 0.3086 0.0948 ( 3510 PWs) bands (ev): -34.3983 -34.3983 -34.3959 -34.3959 -15.7123 -15.7123 -15.7112 -15.7112 -15.3785 -15.3785 -15.3730 -15.3730 -15.2544 -15.2544 -15.2483 -15.2483 -8.4193 -8.4193 -8.0702 -8.0702 1.2880 1.2880 1.5632 1.5632 1.6153 1.6153 2.2365 2.2365 2.3779 2.3779 2.6189 2.6189 3.7205 3.7205 4.4606 4.4606 7.8826 7.8826 9.0558 9.0558 9.9045 9.9045 10.4136 10.4136 k = 0.4896 0.3021 0.0928 ( 3509 PWs) bands (ev): -34.3984 -34.3984 -34.3959 -34.3959 -15.7126 -15.7126 -15.7108 -15.7108 -15.3786 -15.3786 -15.3729 -15.3729 -15.2544 -15.2544 -15.2483 -15.2483 -8.4195 -8.4195 -8.0704 -8.0704 1.2877 1.2877 1.5570 1.5570 1.6224 1.6224 2.2363 2.2363 2.3789 2.3789 2.6194 2.6194 3.7200 3.7200 4.4608 4.4608 7.8831 7.8831 9.0572 9.0572 9.9036 9.9036 10.4029 10.4029 k = 0.4792 0.2957 0.0908 ( 3511 PWs) bands (ev): -34.3984 -34.3984 -34.3959 -34.3959 -15.7130 -15.7130 -15.7102 -15.7102 -15.3788 -15.3788 -15.3724 -15.3724 -15.2544 -15.2544 -15.2481 -15.2481 -8.4200 -8.4200 -8.0708 -8.0708 1.2866 1.2866 1.5439 1.5439 1.6381 1.6381 2.2358 2.2358 2.3818 2.3818 2.6209 2.6209 3.7183 3.7183 4.4612 4.4612 7.8846 7.8846 9.0615 9.0615 9.9010 9.9010 10.3739 10.3739 k = 0.4688 0.2893 0.0888 ( 3505 PWs) bands (ev): -34.3985 -34.3985 -34.3959 -34.3959 -15.7133 -15.7133 -15.7093 -15.7093 -15.3792 -15.3792 -15.3716 -15.3716 -15.2543 -15.2543 -15.2477 -15.2477 -8.4207 -8.4207 -8.0716 -8.0716 1.2847 1.2847 1.5291 1.5291 1.6574 1.6574 2.2350 2.2350 2.3866 2.3866 2.6234 2.6234 3.7155 3.7155 4.4618 4.4618 7.8871 7.8871 9.0685 9.0685 9.8967 9.8967 10.3334 10.3334 k = 0.4583 0.2829 0.0869 ( 3501 PWs) bands (ev): -34.3986 -34.3986 -34.3959 -34.3959 -15.7136 -15.7136 -15.7084 -15.7084 -15.3795 -15.3795 -15.3706 -15.3706 -15.2542 -15.2542 -15.2473 -15.2473 -8.4218 -8.4218 -8.0727 -8.0727 1.2820 1.2820 1.5147 1.5147 1.6783 1.6783 2.2341 2.2341 2.3931 2.3931 2.6270 2.6270 3.7115 3.7115 4.4627 4.4627 7.8907 7.8907 9.0782 9.0782 9.8907 9.8907 10.2866 10.2866 k = 0.4479 0.2764 0.0849 ( 3500 PWs) bands (ev): -34.3988 -34.3988 -34.3959 -34.3959 -15.7138 -15.7138 -15.7073 -15.7073 -15.3799 -15.3799 -15.3695 -15.3695 -15.2540 -15.2540 -15.2468 -15.2468 -8.4232 -8.4232 -8.0740 -8.0740 1.2780 1.2780 1.5013 1.5013 1.7002 1.7002 2.2333 2.2333 2.4011 2.4011 2.6316 2.6316 3.7065 3.7065 4.4639 4.4639 7.8953 7.8953 9.0905 9.0905 9.8829 9.8829 10.2368 10.2368 k = 0.4375 0.2700 0.0829 ( 3503 PWs) bands (ev): -34.3989 -34.3989 -34.3959 -34.3959 -15.7140 -15.7140 -15.7062 -15.7062 -15.3802 -15.3802 -15.3683 -15.3683 -15.2539 -15.2539 -15.2461 -15.2461 -8.4249 -8.4249 -8.0757 -8.0757 1.2728 1.2728 1.4896 1.4896 1.7228 1.7228 2.2328 2.2328 2.4105 2.4105 2.6372 2.6372 3.7005 3.7005 4.4654 4.4654 7.9011 7.9011 9.1052 9.1052 9.8734 9.8734 10.1863 10.1863 k = 0.4271 0.2636 0.0809 ( 3502 PWs) bands (ev): -34.3991 -34.3991 -34.3959 -34.3959 -15.7141 -15.7141 -15.7049 -15.7049 -15.3804 -15.3804 -15.3669 -15.3669 -15.2537 -15.2537 -15.2454 -15.2454 -8.4268 -8.4268 -8.0776 -8.0776 1.2658 1.2658 1.4798 1.4798 1.7460 1.7460 2.2326 2.2326 2.4211 2.4211 2.6438 2.6438 3.6935 3.6935 4.4670 4.4670 7.9080 7.9080 9.1223 9.1223 9.8620 9.8620 10.1363 10.1363 k = 0.4167 0.2571 0.0790 ( 3503 PWs) bands (ev): -34.3994 -34.3994 -34.3960 -34.3960 -15.7141 -15.7141 -15.7035 -15.7035 -15.3806 -15.3806 -15.3655 -15.3655 -15.2534 -15.2534 -15.2446 -15.2446 -8.4291 -8.4291 -8.0798 -8.0798 1.2571 1.2571 1.4723 1.4723 1.7695 1.7695 2.2329 2.2329 2.4327 2.4327 2.6513 2.6513 3.6855 3.6855 4.4690 4.4690 7.9160 7.9160 9.1415 9.1415 9.8487 9.8487 10.0880 10.0880 k = 0.4062 0.2507 0.0770 ( 3503 PWs) bands (ev): -34.3996 -34.3996 -34.3960 -34.3960 -15.7141 -15.7141 -15.7021 -15.7021 -15.3808 -15.3808 -15.3640 -15.3640 -15.2530 -15.2530 -15.2437 -15.2437 -8.4317 -8.4317 -8.0822 -8.0822 1.2463 1.2463 1.4673 1.4673 1.7934 1.7934 2.2338 2.2338 2.4453 2.4453 2.6599 2.6599 3.6766 3.6766 4.4711 4.4711 7.9253 7.9253 9.1624 9.1624 9.8334 9.8334 10.0421 10.0421 k = 0.3958 0.2443 0.0750 ( 3499 PWs) bands (ev): -34.3999 -34.3999 -34.3961 -34.3961 -15.7140 -15.7140 -15.7005 -15.7005 -15.3808 -15.3808 -15.3623 -15.3623 -15.2525 -15.2525 -15.2427 -15.2427 -8.4345 -8.4345 -8.0849 -8.0849 1.2334 1.2334 1.4650 1.4650 1.8174 1.8174 2.2354 2.2354 2.4588 2.4588 2.6695 2.6695 3.6669 3.6669 4.4735 4.4735 7.9359 7.9359 9.1846 9.1846 9.8162 9.8162 9.9991 9.9991 k = 0.3854 0.2379 0.0730 ( 3499 PWs) bands (ev): -34.4002 -34.4002 -34.3962 -34.3962 -15.7139 -15.7139 -15.6989 -15.6989 -15.3809 -15.3809 -15.3606 -15.3606 -15.2520 -15.2520 -15.2417 -15.2417 -8.4377 -8.4377 -8.0877 -8.0877 1.2185 1.2185 1.4652 1.4652 1.8416 1.8416 2.2378 2.2378 2.4730 2.4730 2.6800 2.6800 3.6564 3.6564 4.4761 4.4761 7.9477 7.9477 9.2077 9.2077 9.7970 9.7970 9.9598 9.9598 k = 0.3750 0.2314 0.0711 ( 3498 PWs) bands (ev): -34.4005 -34.4005 -34.3963 -34.3963 -15.7138 -15.7138 -15.6972 -15.6972 -15.3808 -15.3808 -15.3588 -15.3588 -15.2514 -15.2514 -15.2406 -15.2406 -8.4411 -8.4411 -8.0908 -8.0908 1.2016 1.2016 1.4679 1.4679 1.8657 1.8657 2.2411 2.2411 2.4880 2.4880 2.6914 2.6914 3.6453 3.6453 4.4789 4.4789 7.9609 7.9609 9.2310 9.2310 9.7763 9.7763 9.9243 9.9243 k = 0.3646 0.2250 0.0691 ( 3495 PWs) bands (ev): -34.4008 -34.4008 -34.3963 -34.3963 -15.7136 -15.7136 -15.6954 -15.6954 -15.3807 -15.3807 -15.3570 -15.3570 -15.2507 -15.2507 -15.2394 -15.2394 -8.4448 -8.4448 -8.0940 -8.0940 1.1830 1.1830 1.4730 1.4730 1.8898 1.8898 2.2452 2.2452 2.5037 2.5037 2.7037 2.7037 3.6335 3.6335 4.4818 4.4818 7.9755 7.9755 9.2535 9.2535 9.7546 9.7546 9.8928 9.8928 k = 0.3542 0.2186 0.0671 ( 3488 PWs) bands (ev): -34.4011 -34.4011 -34.3964 -34.3964 -15.7134 -15.7134 -15.6935 -15.6935 -15.3805 -15.3805 -15.3550 -15.3550 -15.2500 -15.2500 -15.2382 -15.2382 -8.4488 -8.4488 -8.0973 -8.0973 1.1627 1.1627 1.4804 1.4804 1.9137 1.9137 2.2503 2.2503 2.5200 2.5200 2.7169 2.7169 3.6212 3.6212 4.4849 4.4849 7.9914 7.9914 9.2741 9.2741 9.7333 9.7333 9.8651 9.8651 k = 0.3438 0.2121 0.0651 ( 3487 PWs) bands (ev): -34.4014 -34.4014 -34.3966 -34.3966 -15.7132 -15.7132 -15.6916 -15.6916 -15.3803 -15.3803 -15.3531 -15.3531 -15.2491 -15.2491 -15.2369 -15.2369 -8.4531 -8.4531 -8.1008 -8.1008 1.1410 1.1410 1.4898 1.4898 1.9372 1.9372 2.2563 2.2563 2.5369 2.5369 2.7309 2.7309 3.6086 3.6086 4.4880 4.4880 8.0086 8.0086 9.2912 9.2912 9.7136 9.7136 9.8411 9.8411 k = 0.3333 0.2057 0.0632 ( 3487 PWs) bands (ev): -34.4018 -34.4018 -34.3967 -34.3967 -15.7130 -15.7130 -15.6896 -15.6896 -15.3800 -15.3800 -15.3510 -15.3510 -15.2482 -15.2482 -15.2356 -15.2356 -8.4576 -8.4576 -8.1044 -8.1044 1.1180 1.1180 1.5011 1.5011 1.9603 1.9603 2.2633 2.2633 2.5544 2.5544 2.7456 2.7456 3.5955 3.5955 4.4912 4.4912 8.0272 8.0272 9.3030 9.3030 9.6968 9.6968 9.8209 9.8209 k = 0.3229 0.1993 0.0612 ( 3487 PWs) bands (ev): -34.4021 -34.4021 -34.3968 -34.3968 -15.7128 -15.7128 -15.6876 -15.6876 -15.3797 -15.3797 -15.3489 -15.3489 -15.2472 -15.2472 -15.2343 -15.2343 -8.4624 -8.4624 -8.1080 -8.1080 1.0938 1.0938 1.5142 1.5142 1.9829 1.9829 2.2713 2.2713 2.5726 2.5726 2.7611 2.7611 3.5823 3.5823 4.4945 4.4945 8.0471 8.0471 9.3080 9.3080 9.6835 9.6835 9.8052 9.8052 k = 0.3125 0.1929 0.0592 ( 3488 PWs) bands (ev): -34.4025 -34.4025 -34.3970 -34.3970 -15.7127 -15.7127 -15.6856 -15.6856 -15.3793 -15.3793 -15.3468 -15.3468 -15.2462 -15.2462 -15.2329 -15.2329 -8.4675 -8.4675 -8.1116 -8.1116 1.0686 1.0686 1.5290 1.5290 2.0048 2.0048 2.2804 2.2804 2.5913 2.5913 2.7772 2.7772 3.5689 3.5689 4.4977 4.4977 8.0683 8.0683 9.3051 9.3051 9.6726 9.6726 9.7952 9.7952 k = 0.3021 0.1864 0.0572 ( 3487 PWs) bands (ev): -34.4029 -34.4029 -34.3971 -34.3971 -15.7125 -15.7125 -15.6835 -15.6835 -15.3789 -15.3789 -15.3446 -15.3446 -15.2451 -15.2451 -15.2314 -15.2314 -8.4728 -8.4728 -8.1152 -8.1152 1.0425 1.0425 1.5454 1.5454 2.0260 2.0260 2.2904 2.2904 2.6105 2.6105 2.7939 2.7939 3.5556 3.5556 4.5008 4.5008 8.0906 8.0906 9.2944 9.2944 9.6616 9.6616 9.7924 9.7924 k = 0.2917 0.1800 0.0553 ( 3483 PWs) bands (ev): -34.4032 -34.4032 -34.3973 -34.3973 -15.7123 -15.7123 -15.6813 -15.6813 -15.3784 -15.3784 -15.3423 -15.3423 -15.2439 -15.2439 -15.2299 -15.2299 -8.4784 -8.4784 -8.1187 -8.1187 1.0157 1.0157 1.5632 1.5632 2.0462 2.0462 2.3014 2.3014 2.6304 2.6304 2.8111 2.8111 3.5423 3.5423 4.5039 4.5039 8.1140 8.1140 9.2767 9.2767 9.6483 9.6483 9.7964 9.7964 k = 0.2812 0.1736 0.0533 ( 3482 PWs) bands (ev): -34.4036 -34.4036 -34.3975 -34.3975 -15.7122 -15.7122 -15.6792 -15.6792 -15.3779 -15.3779 -15.3401 -15.3401 -15.2427 -15.2427 -15.2284 -15.2284 -8.4842 -8.4842 -8.1222 -8.1222 0.9883 0.9883 1.5824 1.5824 2.0655 2.0655 2.3134 2.3134 2.6508 2.6508 2.8288 2.8288 3.5293 3.5293 4.5068 4.5068 8.1383 8.1383 9.2533 9.2533 9.6318 9.6318 9.8046 9.8046 k = 0.2708 0.1671 0.0513 ( 3479 PWs) bands (ev): -34.4040 -34.4040 -34.3976 -34.3976 -15.7120 -15.7120 -15.6771 -15.6771 -15.3774 -15.3774 -15.3378 -15.3378 -15.2414 -15.2414 -15.2268 -15.2268 -8.4902 -8.4902 -8.1256 -8.1256 0.9603 0.9603 1.6028 1.6028 2.0837 2.0837 2.3262 2.3262 2.6718 2.6718 2.8468 2.8468 3.5165 3.5165 4.5096 4.5096 8.1634 8.1634 9.2254 9.2254 9.6121 9.6121 9.8109 9.8109 k = 0.2604 0.1607 0.0494 ( 3480 PWs) bands (ev): -34.4044 -34.4044 -34.3978 -34.3978 -15.7120 -15.7120 -15.6749 -15.6749 -15.3768 -15.3768 -15.3356 -15.3356 -15.2400 -15.2400 -15.2253 -15.2253 -8.4965 -8.4965 -8.1289 -8.1289 0.9320 0.9320 1.6243 1.6243 2.1008 2.1008 2.3399 2.3399 2.6932 2.6932 2.8652 2.8652 3.5043 3.5043 4.5121 4.5121 8.1890 8.1890 9.1940 9.1940 9.5895 9.5895 9.8030 9.8030 k = 0.2500 0.1543 0.0474 ( 3479 PWs) bands (ev): -34.4048 -34.4048 -34.3980 -34.3980 -15.7119 -15.7119 -15.6728 -15.6728 -15.3762 -15.3762 -15.3333 -15.3333 -15.2387 -15.2387 -15.2237 -15.2237 -8.5029 -8.5029 -8.1320 -8.1320 0.9034 0.9034 1.6468 1.6468 2.1167 2.1167 2.3542 2.3542 2.7152 2.7152 2.8838 2.8838 3.4926 3.4926 4.5143 4.5143 8.2151 8.2151 9.1597 9.1597 9.5640 9.5640 9.7662 9.7662 k = 0.2396 0.1479 0.0454 ( 3474 PWs) bands (ev): -34.4051 -34.4051 -34.3982 -34.3982 -15.7118 -15.7118 -15.6707 -15.6707 -15.3756 -15.3756 -15.3310 -15.3310 -15.2373 -15.2373 -15.2220 -15.2220 -8.5095 -8.5095 -8.1350 -8.1350 0.8747 0.8747 1.6701 1.6701 2.1316 2.1316 2.3691 2.3691 2.7376 2.7376 2.9026 2.9026 3.4816 3.4816 4.5162 4.5162 8.2413 8.2413 9.1228 9.1228 9.5351 9.5351 9.7166 9.7166 k = 0.2292 0.1414 0.0434 ( 3473 PWs) bands (ev): -34.4055 -34.4055 -34.3984 -34.3984 -15.7118 -15.7118 -15.6686 -15.6686 -15.3749 -15.3749 -15.3288 -15.3288 -15.2358 -15.2358 -15.2204 -15.2204 -8.5162 -8.5162 -8.1377 -8.1377 0.8460 0.8460 1.6941 1.6941 2.1453 2.1453 2.3843 2.3843 2.7603 2.7603 2.9214 2.9214 3.4713 3.4713 4.5178 4.5178 8.2673 8.2673 9.0837 9.0837 9.5027 9.5027 9.6689 9.6689 k = 0.2188 0.1350 0.0415 ( 3476 PWs) bands (ev): -34.4059 -34.4059 -34.3985 -34.3985 -15.7118 -15.7118 -15.6666 -15.6666 -15.3743 -15.3743 -15.3266 -15.3266 -15.2344 -15.2344 -15.2188 -15.2188 -8.5231 -8.5231 -8.1403 -8.1403 0.8175 0.8175 1.7187 1.7187 2.1579 2.1579 2.3998 2.3998 2.7834 2.7834 2.9403 2.9403 3.4620 3.4620 4.5190 4.5190 8.2928 8.2928 9.0425 9.0425 9.4672 9.4672 9.6265 9.6265 k = 0.2083 0.1286 0.0395 ( 3472 PWs) bands (ev): -34.4062 -34.4062 -34.3987 -34.3987 -15.7119 -15.7119 -15.6646 -15.6646 -15.3736 -15.3736 -15.3244 -15.3244 -15.2329 -15.2329 -15.2172 -15.2172 -8.5300 -8.5300 -8.1427 -8.1427 0.7892 0.7892 1.7436 1.7436 2.1696 2.1696 2.4152 2.4152 2.8066 2.8066 2.9591 2.9591 3.4536 3.4536 4.5199 4.5199 8.3174 8.3174 8.9993 8.9993 9.4297 9.4297 9.5896 9.5896 k = 0.1979 0.1221 0.0375 ( 3470 PWs) bands (ev): -34.4066 -34.4066 -34.3989 -34.3989 -15.7119 -15.7119 -15.6626 -15.6626 -15.3730 -15.3730 -15.3223 -15.3223 -15.2315 -15.2315 -15.2156 -15.2156 -8.5370 -8.5370 -8.1449 -8.1449 0.7614 0.7614 1.7688 1.7688 2.1803 2.1803 2.4305 2.4305 2.8300 2.8300 2.9778 2.9778 3.4463 3.4463 4.5203 4.5203 8.3407 8.3407 8.9545 8.9545 9.3918 9.3918 9.5571 9.5571 k = 0.1875 0.1157 0.0355 ( 3470 PWs) bands (ev): -34.4069 -34.4069 -34.3991 -34.3991 -15.7120 -15.7120 -15.6607 -15.6607 -15.3723 -15.3723 -15.3202 -15.3202 -15.2300 -15.2300 -15.2140 -15.2140 -8.5440 -8.5440 -8.1468 -8.1468 0.7340 0.7340 1.7941 1.7941 2.1901 2.1901 2.4454 2.4454 2.8533 2.8533 2.9964 2.9964 3.4401 3.4401 4.5203 4.5203 8.3623 8.3623 8.9085 8.9085 9.3549 9.3549 9.5282 9.5282 k = 0.1771 0.1093 0.0336 ( 3476 PWs) bands (ev): -34.4073 -34.4073 -34.3993 -34.3993 -15.7122 -15.7122 -15.6589 -15.6589 -15.3716 -15.3716 -15.3182 -15.3182 -15.2286 -15.2286 -15.2124 -15.2124 -8.5509 -8.5509 -8.1486 -8.1486 0.7074 0.7074 1.8193 1.8193 2.1991 2.1991 2.4597 2.4597 2.8765 2.8765 3.0147 3.0147 3.4352 3.4352 4.5200 4.5200 8.3816 8.3816 8.8619 8.8619 9.3201 9.3201 9.5023 9.5023 k = 0.1667 0.1029 0.0316 ( 3475 PWs) bands (ev): -34.4076 -34.4076 -34.3995 -34.3995 -15.7123 -15.7123 -15.6572 -15.6572 -15.3710 -15.3710 -15.3163 -15.3163 -15.2272 -15.2272 -15.2108 -15.2108 -8.5578 -8.5578 -8.1502 -8.1502 0.6815 0.6815 1.8442 1.8442 2.2073 2.2073 2.4734 2.4734 2.8994 2.8994 3.0327 3.0327 3.4314 3.4314 4.5192 4.5192 8.3982 8.3982 8.8153 8.8153 9.2878 9.2878 9.4791 9.4791 k = 0.1562 0.0964 0.0296 ( 3475 PWs) bands (ev): -34.4079 -34.4079 -34.3996 -34.3996 -15.7125 -15.7125 -15.6555 -15.6555 -15.3704 -15.3704 -15.3144 -15.3144 -15.2258 -15.2258 -15.2093 -15.2093 -8.5645 -8.5645 -8.1516 -8.1516 0.6565 0.6565 1.8687 1.8687 2.2148 2.2148 2.4862 2.4862 2.9217 2.9217 3.0504 3.0504 3.4289 3.4289 4.5180 4.5180 8.4114 8.4114 8.7694 8.7694 9.2582 9.2582 9.4589 9.4589 k = 0.1458 0.0900 0.0276 ( 3477 PWs) bands (ev): -34.4082 -34.4082 -34.3998 -34.3998 -15.7126 -15.7126 -15.6539 -15.6539 -15.3697 -15.3697 -15.3126 -15.3126 -15.2245 -15.2245 -15.2078 -15.2078 -8.5710 -8.5710 -8.1528 -8.1528 0.6326 0.6326 1.8927 1.8927 2.2216 2.2216 2.4982 2.4982 2.9435 2.9435 3.0676 3.0676 3.4276 3.4276 4.5165 4.5165 8.4207 8.4207 8.7252 8.7252 9.2313 9.2313 9.4419 9.4419 k = 0.1354 0.0836 0.0257 ( 3473 PWs) bands (ev): -34.4084 -34.4084 -34.3999 -34.3999 -15.7128 -15.7128 -15.6524 -15.6524 -15.3691 -15.3691 -15.3109 -15.3109 -15.2232 -15.2232 -15.2064 -15.2064 -8.5774 -8.5774 -8.1538 -8.1538 0.6098 0.6098 1.9158 1.9158 2.2277 2.2277 2.5092 2.5092 2.9644 2.9644 3.0844 3.0844 3.4275 3.4275 4.5147 4.5147 8.4255 8.4255 8.6835 8.6835 9.2068 9.2068 9.4283 9.4283 k = 0.1250 0.0771 0.0237 ( 3474 PWs) bands (ev): -34.4087 -34.4087 -34.4001 -34.4001 -15.7130 -15.7130 -15.6510 -15.6510 -15.3685 -15.3685 -15.3094 -15.3094 -15.2220 -15.2220 -15.2050 -15.2050 -8.5834 -8.5834 -8.1547 -8.1547 0.5882 0.5882 1.9381 1.9381 2.2333 2.2333 2.5191 2.5191 2.9842 2.9842 3.1006 3.1006 3.4284 3.4284 4.5126 4.5126 8.4252 8.4252 8.6454 8.6454 9.1847 9.1847 9.4184 9.4184 k = 0.1146 0.0707 0.0217 ( 3476 PWs) bands (ev): -34.4090 -34.4090 -34.4002 -34.4002 -15.7132 -15.7132 -15.6497 -15.6497 -15.3680 -15.3680 -15.3079 -15.3079 -15.2208 -15.2208 -15.2037 -15.2037 -8.5892 -8.5892 -8.1554 -8.1554 0.5680 0.5680 1.9593 1.9593 2.2383 2.2383 2.5279 2.5279 3.0030 3.0030 3.1163 3.1163 3.4303 3.4303 4.5103 4.5103 8.4196 8.4196 8.6118 8.6118 9.1646 9.1646 9.4121 9.4121 k = 0.1042 0.0643 0.0197 ( 3479 PWs) bands (ev): -34.4092 -34.4092 -34.4004 -34.4004 -15.7134 -15.7134 -15.6485 -15.6485 -15.3675 -15.3675 -15.3065 -15.3065 -15.2198 -15.2198 -15.2025 -15.2025 -8.5946 -8.5946 -8.1560 -8.1560 0.5492 0.5492 1.9793 1.9793 2.2427 2.2427 2.5357 2.5357 3.0204 3.0204 3.1312 3.1312 3.4330 3.4330 4.5079 4.5079 8.4087 8.4087 8.5832 8.5832 9.1465 9.1465 9.4093 9.4093 k = 0.0938 0.0579 0.0178 ( 3479 PWs) bands (ev): -34.4094 -34.4094 -34.4005 -34.4005 -15.7135 -15.7135 -15.6474 -15.6474 -15.3670 -15.3670 -15.3053 -15.3053 -15.2188 -15.2188 -15.2014 -15.2014 -8.5997 -8.5997 -8.1565 -8.1565 0.5319 0.5319 1.9979 1.9979 2.2466 2.2466 2.5425 2.5425 3.0363 3.0363 3.1454 3.1454 3.4363 3.4363 4.5053 4.5053 8.3931 8.3931 8.5598 8.5598 9.1301 9.1301 9.4097 9.4097 k = 0.0833 0.0514 0.0158 ( 3480 PWs) bands (ev): -34.4096 -34.4096 -34.4006 -34.4006 -15.7137 -15.7137 -15.6464 -15.6464 -15.3666 -15.3666 -15.3041 -15.3041 -15.2178 -15.2178 -15.2004 -15.2004 -8.6043 -8.6043 -8.1569 -8.1569 0.5162 0.5162 2.0150 2.0150 2.2500 2.2500 2.5483 2.5483 3.0507 3.0507 3.1586 3.1586 3.4401 3.4401 4.5027 4.5027 8.3744 8.3744 8.5407 8.5407 9.1155 9.1155 9.4126 9.4126 k = 0.0729 0.0450 0.0138 ( 3481 PWs) bands (ev): -34.4098 -34.4098 -34.4007 -34.4007 -15.7139 -15.7139 -15.6455 -15.6455 -15.3662 -15.3662 -15.3031 -15.3031 -15.2170 -15.2170 -15.1995 -15.1995 -8.6085 -8.6085 -8.1572 -8.1572 0.5022 0.5022 2.0305 2.0305 2.2529 2.2529 2.5532 2.5532 3.0635 3.0635 3.1707 3.1707 3.4441 3.4441 4.5002 4.5002 8.3543 8.3543 8.5252 8.5252 9.1026 9.1026 9.4174 9.4174 k = 0.0625 0.0386 0.0118 ( 3475 PWs) bands (ev): -34.4099 -34.4099 -34.4008 -34.4008 -15.7140 -15.7140 -15.6447 -15.6447 -15.3658 -15.3658 -15.3022 -15.3022 -15.2163 -15.2163 -15.1986 -15.1986 -8.6121 -8.6121 -8.1574 -8.1574 0.4900 0.4900 2.0442 2.0442 2.2554 2.2554 2.5572 2.5572 3.0746 3.0746 3.1816 3.1816 3.4482 3.4482 4.4979 4.4979 8.3345 8.3345 8.5123 8.5123 9.0913 9.0913 9.4235 9.4235 k = 0.0521 0.0321 0.0099 ( 3474 PWs) bands (ev): -34.4100 -34.4100 -34.4008 -34.4008 -15.7141 -15.7141 -15.6441 -15.6441 -15.3655 -15.3655 -15.3015 -15.3015 -15.2157 -15.2157 -15.1979 -15.1979 -8.6153 -8.6153 -8.1576 -8.1576 0.4795 0.4795 2.0560 2.0560 2.2574 2.2574 2.5604 2.5604 3.0841 3.0841 3.1911 3.1911 3.4520 3.4520 4.4957 4.4957 8.3162 8.3162 8.5015 8.5015 9.0816 9.0816 9.4301 9.4301 k = 0.0417 0.0257 0.0079 ( 3470 PWs) bands (ev): -34.4101 -34.4101 -34.4009 -34.4009 -15.7142 -15.7142 -15.6435 -15.6435 -15.3652 -15.3652 -15.3008 -15.3008 -15.2152 -15.2152 -15.1973 -15.1973 -8.6179 -8.6179 -8.1577 -8.1577 0.4709 0.4709 2.0659 2.0659 2.2590 2.2590 2.5629 2.5629 3.0918 3.0918 3.1991 3.1991 3.4555 3.4555 4.4938 4.4938 8.3004 8.3004 8.4927 8.4927 9.0737 9.0737 9.4365 9.4365 k = 0.0312 0.0193 0.0059 ( 3467 PWs) bands (ev): -34.4102 -34.4102 -34.4009 -34.4009 -15.7143 -15.7143 -15.6431 -15.6431 -15.3650 -15.3650 -15.3004 -15.3004 -15.2147 -15.2147 -15.1969 -15.1969 -8.6200 -8.6200 -8.1578 -8.1578 0.4641 0.4641 2.0736 2.0736 2.2603 2.2603 2.5647 2.5647 3.0978 3.0978 3.2054 3.2054 3.4584 3.4584 4.4923 4.4923 8.2875 8.2875 8.4857 8.4857 9.0675 9.0675 9.4421 9.4421 k = 0.0208 0.0129 0.0039 ( 3468 PWs) bands (ev): -34.4103 -34.4103 -34.4010 -34.4010 -15.7144 -15.7144 -15.6428 -15.6428 -15.3649 -15.3649 -15.3000 -15.3000 -15.2145 -15.2145 -15.1965 -15.1965 -8.6214 -8.6214 -8.1579 -8.1579 0.4593 0.4593 2.0793 2.0793 2.2611 2.2611 2.5660 2.5660 3.1021 3.1021 3.2101 3.2101 3.4606 3.4606 4.4912 4.4912 8.2781 8.2781 8.4807 8.4807 9.0630 9.0630 9.4465 9.4465 k = 0.0104 0.0064 0.0020 ( 3471 PWs) bands (ev): -34.4103 -34.4103 -34.4010 -34.4010 -15.7144 -15.7144 -15.6426 -15.6426 -15.3648 -15.3648 -15.2998 -15.2998 -15.2143 -15.2143 -15.1964 -15.1964 -8.6223 -8.6223 -8.1579 -8.1579 0.4563 0.4563 2.0826 2.0826 2.2616 2.2616 2.5668 2.5668 3.1047 3.1047 3.2129 3.2129 3.4620 3.4620 4.4905 4.4905 8.2723 8.2723 8.4776 8.4776 9.0603 9.0603 9.4492 9.4492 k = 0.0000 0.0000 0.0000 ( 3469 PWs) bands (ev): -34.4103 -34.4103 -34.4010 -34.4010 -15.7144 -15.7144 -15.6425 -15.6425 -15.3648 -15.3648 -15.2997 -15.2997 -15.2142 -15.2142 -15.1963 -15.1963 -8.6226 -8.6226 -8.1579 -8.1579 0.4554 0.4554 2.0838 2.0838 2.2618 2.2618 2.5670 2.5670 3.1055 3.1055 3.2138 3.2138 3.4624 3.4624 4.4903 4.4903 8.2704 8.2704 8.4766 8.4766 9.0594 9.0594 9.4502 9.4502 Writing output data file CaC2.save init_run : 3.91s CPU 13.28s WALL ( 1 calls) electrons : 726.97s CPU 735.47s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.83s CPU 1.51s WALL ( 1 calls) Called by electrons: c_bands : 726.93s CPU 735.17s WALL ( 1 calls) v_of_rho : 0.41s CPU 0.86s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.40s CPU 0.61s WALL ( 1 calls) newd : 0.27s CPU 0.47s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.13s WALL ( 311 calls) cegterg : 701.81s CPU 707.24s WALL ( 1297 calls) Called by sum_band: Called by *egterg: h_psi : 290.04s CPU 303.51s WALL ( 24520 calls) s_psi : 26.64s CPU 27.23s WALL ( 24520 calls) g_psi : 0.56s CPU 0.69s WALL ( 22912 calls) cdiaghg : 282.86s CPU 278.26s WALL ( 23223 calls) cegterg:over : 54.81s CPU 48.98s WALL ( 22912 calls) cegterg:upda : 6.99s CPU 12.60s WALL ( 22912 calls) cegterg:last : 6.43s CPU 7.54s WALL ( 2856 calls) Called by h_psi: h_psi:vloc : 230.83s CPU 242.60s WALL ( 24520 calls) h_psi:vnl : 59.03s CPU 60.14s WALL ( 24520 calls) add_vuspsi : 17.48s CPU 22.19s WALL ( 24520 calls) General routines calbec : 41.46s CPU 37.77s WALL ( 24520 calls) fft : 0.52s CPU 1.59s WALL ( 19 calls) ffts : 0.00s CPU 0.01s WALL ( 4 calls) fftw : 219.85s CPU 228.06s WALL ( 1503380 calls) interpolate : 0.22s CPU 0.23s WALL ( 4 calls) davcio : 0.02s CPU 0.91s WALL ( 622 calls) Parallel routines fft_scatter : 133.84s CPU 139.73s WALL ( 1503403 calls) PWSCF : 12m51.73s CPU 14m 6.96s WALL This run was terminated on: 6:14: 5 20Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=