Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20: 4:52 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./SrxLi2Px2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 110 110 30 3281 3281 477 Max 111 111 31 3282 3282 480 Sum 3967 3967 1095 118121 118121 17217 bravais-lattice index = 14 lattice parameter (alat) = 15.4845 a.u. unit-cell volume = 836.8724 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 15.484502 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.863503 celldm(5)= 0.863503 celldm(6)= 0.863503 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.863503 0.504344 0.000000 ) a(3) = ( 0.863503 0.233701 0.446931 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.712129 -1.036796 ) b(2) = ( 0.000000 1.982772 -1.036796 ) b(3) = ( 0.000000 0.000000 2.237483 ) PseudoPot. # 1 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 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 1221 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Li 3.00 6.94100 Li( 1.00) Sr 10.00 87.62000 Sr( 1.00) P 5.00 30.97380 P( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 285 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 2) = ( 0.0116279 -0.0199085 -0.0120558), wk = 0.0035088 k( 3) = ( 0.0232558 -0.0398169 -0.0241115), wk = 0.0035088 k( 4) = ( 0.0348837 -0.0597254 -0.0361673), wk = 0.0035088 k( 5) = ( 0.0465116 -0.0796339 -0.0482231), wk = 0.0035088 k( 6) = ( 0.0581395 -0.0995424 -0.0602788), wk = 0.0035088 k( 7) = ( 0.0697674 -0.1194508 -0.0723346), wk = 0.0035088 k( 8) = ( 0.0813954 -0.1393593 -0.0843904), wk = 0.0035088 k( 9) = ( 0.0930233 -0.1592678 -0.0964462), wk = 0.0035088 k( 10) = ( 0.1046512 -0.1791762 -0.1085019), wk = 0.0035088 k( 11) = ( 0.1162791 -0.1990847 -0.1205577), wk = 0.0035088 k( 12) = ( 0.1279070 -0.2189932 -0.1326135), wk = 0.0035088 k( 13) = ( 0.1395349 -0.2389017 -0.1446692), wk = 0.0035088 k( 14) = ( 0.1511628 -0.2588101 -0.1567250), wk = 0.0035088 k( 15) = ( 0.1627907 -0.2787186 -0.1687808), wk = 0.0035088 k( 16) = ( 0.1744186 -0.2986271 -0.1808365), wk = 0.0035088 k( 17) = ( 0.1860465 -0.3185356 -0.1928923), wk = 0.0035088 k( 18) = ( 0.1976744 -0.3384440 -0.2049481), wk = 0.0035088 k( 19) = ( 0.2093023 -0.3583525 -0.2170039), wk = 0.0035088 k( 20) = ( 0.2209302 -0.3782610 -0.2290596), wk = 0.0035088 k( 21) = ( 0.2325581 -0.3981694 -0.2411154), wk = 0.0035088 k( 22) = ( 0.2441860 -0.4180779 -0.2531712), wk = 0.0035088 k( 23) = ( 0.2558140 -0.4379864 -0.2652269), wk = 0.0035088 k( 24) = ( 0.2674419 -0.4578949 -0.2772827), wk = 0.0035088 k( 25) = ( 0.2790698 -0.4778033 -0.2893385), wk = 0.0035088 k( 26) = ( 0.2906977 -0.4977118 -0.3013942), wk = 0.0035088 k( 27) = ( 0.3023256 -0.5176203 -0.3134500), wk = 0.0035088 k( 28) = ( 0.3139535 -0.5375288 -0.3255058), wk = 0.0035088 k( 29) = ( 0.3255814 -0.5574372 -0.3375616), wk = 0.0035088 k( 30) = ( 0.3372093 -0.5773457 -0.3496173), wk = 0.0035088 k( 31) = ( 0.3488372 -0.5972542 -0.3616731), wk = 0.0035088 k( 32) = ( 0.3604651 -0.6171626 -0.3737289), wk = 0.0035088 k( 33) = ( 0.3720930 -0.6370711 -0.3857846), wk = 0.0035088 k( 34) = ( 0.3837209 -0.6569796 -0.3978404), wk = 0.0035088 k( 35) = ( 0.3953488 -0.6768881 -0.4098962), wk = 0.0035088 k( 36) = ( 0.4069767 -0.6967965 -0.4219519), wk = 0.0035088 k( 37) = ( 0.4186047 -0.7167050 -0.4340077), wk = 0.0035088 k( 38) = ( 0.4302326 -0.7366135 -0.4460635), wk = 0.0035088 k( 39) = ( 0.4418605 -0.7565220 -0.4581193), wk = 0.0035088 k( 40) = ( 0.4534884 -0.7764304 -0.4701750), wk = 0.0035088 k( 41) = ( 0.4651163 -0.7963389 -0.4822308), wk = 0.0035088 k( 42) = ( 0.4767442 -0.8162474 -0.4942866), wk = 0.0035088 k( 43) = ( 0.4883721 -0.8361558 -0.5063423), wk = 0.0035088 k( 44) = ( 0.5000000 -0.8560643 -0.5183981), wk = 0.0035088 k( 45) = ( 0.5000000 -0.8560643 -0.5183981), wk = 0.0035088 k( 46) = ( 0.5000000 -0.8425997 -0.5406331), wk = 0.0035088 k( 47) = ( 0.5000000 -0.8291351 -0.5628680), wk = 0.0035088 k( 48) = ( 0.5000000 -0.8156705 -0.5851029), wk = 0.0035088 k( 49) = ( 0.5000000 -0.8022060 -0.6073379), wk = 0.0035088 k( 50) = ( 0.5000000 -0.7887414 -0.6295728), wk = 0.0035088 k( 51) = ( 0.5000000 -0.7752768 -0.6518078), wk = 0.0035088 k( 52) = ( 0.5000000 -0.7618122 -0.6740427), wk = 0.0035088 k( 53) = ( 0.5000000 -0.7483476 -0.6962777), wk = 0.0035088 k( 54) = ( 0.5000000 -0.7348830 -0.7185126), wk = 0.0035088 k( 55) = ( 0.5000000 -0.7214184 -0.7407476), wk = 0.0035088 k( 56) = ( 0.5000000 -0.7079538 -0.7629825), wk = 0.0035088 k( 57) = ( 0.5000000 -0.6944893 -0.7852174), wk = 0.0035088 k( 58) = ( 0.5000000 -0.6810247 -0.8074524), wk = 0.0035088 k( 59) = ( 0.5000000 -0.6675601 -0.8296873), wk = 0.0035088 k( 60) = ( 0.5000000 -0.6540955 -0.8519223), wk = 0.0035088 k( 61) = ( 0.5000000 -0.6406309 -0.8741572), wk = 0.0035088 k( 62) = ( 0.5000000 -0.6271663 -0.8963922), wk = 0.0035088 k( 63) = ( 0.5000000 -0.6137017 -0.9186271), wk = 0.0035088 k( 64) = ( 0.5000000 -0.6002371 -0.9408620), wk = 0.0035088 k( 65) = ( 0.5000000 -0.5867726 -0.9630970), wk = 0.0035088 k( 66) = ( 0.5000000 -0.5733080 -0.9853319), wk = 0.0035088 k( 67) = ( 0.5000000 -0.5598434 -1.0075668), wk = 0.0035088 k( 68) = ( 0.5000000 -0.5463788 -1.0298018), wk = 0.0035088 k( 69) = ( 0.5000000 -0.5329142 -1.0520367), wk = 0.0035088 k( 70) = ( 0.5000000 -0.5194496 -1.0742717), wk = 0.0035088 k( 71) = ( 0.5000000 -0.5059851 -1.0965066), wk = 0.0035088 k( 72) = ( 0.5000000 -0.4925205 -1.1187416), wk = 0.0035088 k( 73) = ( 0.8166487 -0.4068216 -0.9548509), wk = 0.0035088 k( 74) = ( 0.8099115 -0.3952867 -0.9327914), wk = 0.0035088 k( 75) = ( 0.8031743 -0.3837517 -0.9107319), wk = 0.0035088 k( 76) = ( 0.7964371 -0.3722167 -0.8886724), wk = 0.0035088 k( 77) = ( 0.7896998 -0.3606818 -0.8666129), wk = 0.0035088 k( 78) = ( 0.7829626 -0.3491468 -0.8445534), wk = 0.0035088 k( 79) = ( 0.7762254 -0.3376118 -0.8224939), wk = 0.0035088 k( 80) = ( 0.7694882 -0.3260769 -0.8004344), wk = 0.0035088 k( 81) = ( 0.7627510 -0.3145419 -0.7783749), wk = 0.0035088 k( 82) = ( 0.7560138 -0.3030069 -0.7563154), wk = 0.0035088 k( 83) = ( 0.7492766 -0.2914720 -0.7342560), wk = 0.0035088 k( 84) = ( 0.7425394 -0.2799370 -0.7121964), wk = 0.0035088 k( 85) = ( 0.7358022 -0.2684021 -0.6901370), wk = 0.0035088 k( 86) = ( 0.7290650 -0.2568671 -0.6680775), wk = 0.0035088 k( 87) = ( 0.7223278 -0.2453321 -0.6460180), wk = 0.0035088 k( 88) = ( 0.7155906 -0.2337972 -0.6239585), wk = 0.0035088 k( 89) = ( 0.7088534 -0.2222622 -0.6018990), wk = 0.0035088 k( 90) = ( 0.7021162 -0.2107273 -0.5798395), wk = 0.0035088 k( 91) = ( 0.6953790 -0.1991923 -0.5577800), wk = 0.0035088 k( 92) = ( 0.6886418 -0.1876573 -0.5357205), wk = 0.0035088 k( 93) = ( 0.6819046 -0.1761224 -0.5136610), wk = 0.0035088 k( 94) = ( 0.6751674 -0.1645874 -0.4916015), wk = 0.0035088 k( 95) = ( 0.6684301 -0.1530524 -0.4695420), wk = 0.0035088 k( 96) = ( 0.6616929 -0.1415175 -0.4474825), wk = 0.0035088 k( 97) = ( 0.6549557 -0.1299825 -0.4254230), wk = 0.0035088 k( 98) = ( 0.6482185 -0.1184475 -0.4033635), wk = 0.0035088 k( 99) = ( 0.6414813 -0.1069126 -0.3813040), wk = 0.0035088 k( 100) = ( 0.6347441 -0.0953776 -0.3592445), wk = 0.0035088 k( 101) = ( 0.6280069 -0.0838427 -0.3371850), wk = 0.0035088 k( 102) = ( 0.6212697 -0.0723077 -0.3151256), wk = 0.0035088 k( 103) = ( 0.6145325 -0.0607727 -0.2930661), wk = 0.0035088 k( 104) = ( 0.6077953 -0.0492378 -0.2710066), wk = 0.0035088 k( 105) = ( 0.6010581 -0.0377028 -0.2489471), wk = 0.0035088 k( 106) = ( 0.5943209 -0.0261678 -0.2268876), wk = 0.0035088 k( 107) = ( 0.5875837 -0.0146329 -0.2048281), wk = 0.0035088 k( 108) = ( 0.5808465 -0.0030979 -0.1827686), wk = 0.0035088 k( 109) = ( 0.5741093 0.0084371 -0.1607091), wk = 0.0035088 k( 110) = ( 0.5673721 0.0199720 -0.1386496), wk = 0.0035088 k( 111) = ( 0.5606349 0.0315070 -0.1165901), wk = 0.0035088 k( 112) = ( 0.5538977 0.0430419 -0.0945306), wk = 0.0035088 k( 113) = ( 0.5471604 0.0545769 -0.0724711), wk = 0.0035088 k( 114) = ( 0.5404232 0.0661119 -0.0504116), wk = 0.0035088 k( 115) = ( 0.5336860 0.0776468 -0.0283521), wk = 0.0035088 k( 116) = ( 0.5269488 0.0891818 -0.0062926), wk = 0.0035088 k( 117) = ( 0.5202116 0.1007167 0.0157669), wk = 0.0035088 k( 118) = ( 0.5134744 0.1122517 0.0378264), wk = 0.0035088 k( 119) = ( 0.5067372 0.1237867 0.0598858), wk = 0.0035088 k( 120) = ( 0.5000000 0.1353216 0.0819453), wk = 0.0035088 k( 121) = ( 0.5000000 0.1353216 0.0819453), wk = 0.0035088 k( 122) = ( 0.4761905 0.1288778 0.0780432), wk = 0.0035088 k( 123) = ( 0.4523810 0.1224339 0.0741410), wk = 0.0035088 k( 124) = ( 0.4285714 0.1159900 0.0702389), wk = 0.0035088 k( 125) = ( 0.4047619 0.1095461 0.0663367), wk = 0.0035088 k( 126) = ( 0.3809524 0.1031022 0.0624345), wk = 0.0035088 k( 127) = ( 0.3571429 0.0966583 0.0585324), wk = 0.0035088 k( 128) = ( 0.3333333 0.0902144 0.0546302), wk = 0.0035088 k( 129) = ( 0.3095238 0.0837705 0.0507281), wk = 0.0035088 k( 130) = ( 0.2857143 0.0773267 0.0468259), wk = 0.0035088 k( 131) = ( 0.2619048 0.0708828 0.0429238), wk = 0.0035088 k( 132) = ( 0.2380952 0.0644389 0.0390216), wk = 0.0035088 k( 133) = ( 0.2142857 0.0579950 0.0351194), wk = 0.0035088 k( 134) = ( 0.1904762 0.0515511 0.0312173), wk = 0.0035088 k( 135) = ( 0.1666667 0.0451072 0.0273151), wk = 0.0035088 k( 136) = ( 0.1428571 0.0386633 0.0234130), wk = 0.0035088 k( 137) = ( 0.1190476 0.0322194 0.0195108), wk = 0.0035088 k( 138) = ( 0.0952381 0.0257756 0.0156086), wk = 0.0035088 k( 139) = ( 0.0714286 0.0193317 0.0117065), wk = 0.0035088 k( 140) = ( 0.0476191 0.0128878 0.0078043), wk = 0.0035088 k( 141) = ( 0.0238095 0.0064439 0.0039022), wk = 0.0035088 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 144) = ( 0.0066995 -0.0114704 -0.0219361), wk = 0.0035088 k( 145) = ( 0.0133990 -0.0229409 -0.0438722), wk = 0.0035088 k( 146) = ( 0.0200986 -0.0344113 -0.0658083), wk = 0.0035088 k( 147) = ( 0.0267981 -0.0458818 -0.0877444), wk = 0.0035088 k( 148) = ( 0.0334976 -0.0573522 -0.1096805), wk = 0.0035088 k( 149) = ( 0.0401971 -0.0688227 -0.1316167), wk = 0.0035088 k( 150) = ( 0.0468967 -0.0802931 -0.1535528), wk = 0.0035088 k( 151) = ( 0.0535962 -0.0917636 -0.1754889), wk = 0.0035088 k( 152) = ( 0.0602957 -0.1032340 -0.1974250), wk = 0.0035088 k( 153) = ( 0.0669952 -0.1147045 -0.2193611), wk = 0.0035088 k( 154) = ( 0.0736948 -0.1261749 -0.2412972), wk = 0.0035088 k( 155) = ( 0.0803943 -0.1376453 -0.2632333), wk = 0.0035088 k( 156) = ( 0.0870938 -0.1491158 -0.2851694), wk = 0.0035088 k( 157) = ( 0.0937933 -0.1605862 -0.3071055), wk = 0.0035088 k( 158) = ( 0.1004928 -0.1720567 -0.3290416), wk = 0.0035088 k( 159) = ( 0.1071924 -0.1835271 -0.3509777), wk = 0.0035088 k( 160) = ( 0.1138919 -0.1949976 -0.3729139), wk = 0.0035088 k( 161) = ( 0.1205914 -0.2064680 -0.3948500), wk = 0.0035088 k( 162) = ( 0.1272909 -0.2179384 -0.4167861), wk = 0.0035088 k( 163) = ( 0.1339905 -0.2294089 -0.4387222), wk = 0.0035088 k( 164) = ( 0.1406900 -0.2408793 -0.4606583), wk = 0.0035088 k( 165) = ( 0.1473895 -0.2523498 -0.4825944), wk = 0.0035088 k( 166) = ( 0.1540890 -0.2638202 -0.5045305), wk = 0.0035088 k( 167) = ( 0.1607886 -0.2752907 -0.5264666), wk = 0.0035088 k( 168) = ( 0.1674881 -0.2867611 -0.5484027), wk = 0.0035088 k( 169) = ( 0.1741876 -0.2982316 -0.5703388), wk = 0.0035088 k( 170) = ( 0.1808871 -0.3097020 -0.5922750), wk = 0.0035088 k( 171) = ( 0.1875866 -0.3211725 -0.6142111), wk = 0.0035088 k( 172) = ( 0.1942862 -0.3326429 -0.6361472), wk = 0.0035088 k( 173) = ( 0.2009857 -0.3441133 -0.6580833), wk = 0.0035088 k( 174) = ( 0.2076852 -0.3555838 -0.6800194), wk = 0.0035088 k( 175) = ( 0.2143847 -0.3670542 -0.7019555), wk = 0.0035088 k( 176) = ( 0.2210843 -0.3785247 -0.7238916), wk = 0.0035088 k( 177) = ( 0.2277838 -0.3899951 -0.7458277), wk = 0.0035088 k( 178) = ( 0.2344833 -0.4014656 -0.7677638), wk = 0.0035088 k( 179) = ( 0.2411828 -0.4129360 -0.7896999), wk = 0.0035088 k( 180) = ( 0.2478823 -0.4244064 -0.8116360), wk = 0.0035088 k( 181) = ( 0.2545819 -0.4358769 -0.8335722), wk = 0.0035088 k( 182) = ( 0.2612814 -0.4473473 -0.8555083), wk = 0.0035088 k( 183) = ( 0.2679809 -0.4588178 -0.8774444), wk = 0.0035088 k( 184) = ( 0.2746804 -0.4702882 -0.8993805), wk = 0.0035088 k( 185) = ( 0.2813800 -0.4817587 -0.9213166), wk = 0.0035088 k( 186) = ( 0.2880795 -0.4932291 -0.9432527), wk = 0.0035088 k( 187) = ( 0.2947790 -0.5046996 -0.9651888), wk = 0.0035088 k( 188) = ( 0.3014785 -0.5161700 -0.9871249), wk = 0.0035088 k( 189) = ( 0.3081780 -0.5276405 -1.0090610), wk = 0.0035088 k( 190) = ( 0.3148776 -0.5391109 -1.0309971), wk = 0.0035088 k( 191) = ( 0.3215771 -0.5505813 -1.0529332), wk = 0.0035088 k( 192) = ( 0.3282766 -0.5620518 -1.0748694), wk = 0.0035088 k( 193) = ( 0.3349761 -0.5735222 -1.0968055), wk = 0.0035088 k( 194) = ( 0.3416757 -0.5849927 -1.1187416), wk = 0.0035088 k( 195) = ( 0.6583243 -0.4496710 -1.0367962), wk = 0.0035088 k( 196) = ( 0.6517275 -0.4252963 -1.0367962), wk = 0.0035088 k( 197) = ( 0.6451306 -0.4009216 -1.0367962), wk = 0.0035088 k( 198) = ( 0.6385338 -0.3765470 -1.0367962), wk = 0.0035088 k( 199) = ( 0.6319370 -0.3521723 -1.0367962), wk = 0.0035088 k( 200) = ( 0.6253401 -0.3277976 -1.0367962), wk = 0.0035088 k( 201) = ( 0.6187432 -0.3034229 -1.0367962), wk = 0.0035088 k( 202) = ( 0.6121464 -0.2790482 -1.0367962), wk = 0.0035088 k( 203) = ( 0.6055496 -0.2546735 -1.0367962), wk = 0.0035088 k( 204) = ( 0.5989527 -0.2302988 -1.0367962), wk = 0.0035088 k( 205) = ( 0.5923559 -0.2059241 -1.0367962), wk = 0.0035088 k( 206) = ( 0.5857590 -0.1815494 -1.0367962), wk = 0.0035088 k( 207) = ( 0.5791622 -0.1571747 -1.0367962), wk = 0.0035088 k( 208) = ( 0.5725653 -0.1328000 -1.0367962), wk = 0.0035088 k( 209) = ( 0.5659685 -0.1084253 -1.0367962), wk = 0.0035088 k( 210) = ( 0.5593716 -0.0840506 -1.0367962), wk = 0.0035088 k( 211) = ( 0.5527748 -0.0596759 -1.0367962), wk = 0.0035088 k( 212) = ( 0.5461779 -0.0353012 -1.0367962), wk = 0.0035088 k( 213) = ( 0.5395811 -0.0109265 -1.0367962), wk = 0.0035088 k( 214) = ( 0.5329842 0.0134482 -1.0367962), wk = 0.0035088 k( 215) = ( 0.5263874 0.0378229 -1.0367962), wk = 0.0035088 k( 216) = ( 0.5197905 0.0621976 -1.0367962), wk = 0.0035088 k( 217) = ( 0.5131937 0.0865723 -1.0367962), wk = 0.0035088 k( 218) = ( 0.5065968 0.1109469 -1.0367962), wk = 0.0035088 k( 219) = ( 0.5000000 0.1353216 -1.0367962), wk = 0.0035088 k( 220) = ( 0.5000000 0.1353216 -1.0367962), wk = 0.0035088 k( 221) = ( 0.5197905 0.1406778 -1.0265530), wk = 0.0035088 k( 222) = ( 0.5395811 0.1460340 -1.0163099), wk = 0.0035088 k( 223) = ( 0.5593716 0.1513902 -1.0060667), wk = 0.0035088 k( 224) = ( 0.5791622 0.1567464 -0.9958236), wk = 0.0035088 k( 225) = ( 0.5989527 0.1621025 -0.9855804), wk = 0.0035088 k( 226) = ( 0.6187432 0.1674587 -0.9753372), wk = 0.0035088 k( 227) = ( 0.6385338 0.1728149 -0.9650941), wk = 0.0035088 k( 228) = ( 0.6583243 0.1781711 -0.9548509), wk = 0.0035088 k( 229) = ( 0.6583243 0.1781711 -0.9548509), wk = 0.0035088 k( 230) = ( 0.6544628 0.1771260 -0.9295632), wk = 0.0035088 k( 231) = ( 0.6506012 0.1760808 -0.9042755), wk = 0.0035088 k( 232) = ( 0.6467396 0.1750357 -0.8789877), wk = 0.0035088 k( 233) = ( 0.6428781 0.1739906 -0.8537000), wk = 0.0035088 k( 234) = ( 0.6390165 0.1729455 -0.8284123), wk = 0.0035088 k( 235) = ( 0.6351549 0.1719004 -0.8031246), wk = 0.0035088 k( 236) = ( 0.6312933 0.1708553 -0.7778369), wk = 0.0035088 k( 237) = ( 0.6274318 0.1698102 -0.7525492), wk = 0.0035088 k( 238) = ( 0.6235702 0.1687651 -0.7272615), wk = 0.0035088 k( 239) = ( 0.6197086 0.1677200 -0.7019738), wk = 0.0035088 k( 240) = ( 0.6158471 0.1666749 -0.6766860), wk = 0.0035088 k( 241) = ( 0.6119855 0.1656298 -0.6513983), wk = 0.0035088 k( 242) = ( 0.6081239 0.1645847 -0.6261106), wk = 0.0035088 k( 243) = ( 0.6042624 0.1635396 -0.6008229), wk = 0.0035088 k( 244) = ( 0.6004008 0.1624944 -0.5755352), wk = 0.0035088 k( 245) = ( 0.5965392 0.1614493 -0.5502475), wk = 0.0035088 k( 246) = ( 0.5926777 0.1604042 -0.5249598), wk = 0.0035088 k( 247) = ( 0.5888161 0.1593591 -0.4996720), wk = 0.0035088 k( 248) = ( 0.5849545 0.1583140 -0.4743843), wk = 0.0035088 k( 249) = ( 0.5810930 0.1572689 -0.4490966), wk = 0.0035088 k( 250) = ( 0.5772314 0.1562238 -0.4238089), wk = 0.0035088 k( 251) = ( 0.5733698 0.1551787 -0.3985212), wk = 0.0035088 k( 252) = ( 0.5695083 0.1541336 -0.3732335), wk = 0.0035088 k( 253) = ( 0.5656467 0.1530885 -0.3479458), wk = 0.0035088 k( 254) = ( 0.5617851 0.1520434 -0.3226581), wk = 0.0035088 k( 255) = ( 0.5579235 0.1509983 -0.2973704), wk = 0.0035088 k( 256) = ( 0.5540620 0.1499531 -0.2720826), wk = 0.0035088 k( 257) = ( 0.5502004 0.1489080 -0.2467949), wk = 0.0035088 k( 258) = ( 0.5463388 0.1478629 -0.2215072), wk = 0.0035088 k( 259) = ( 0.5424773 0.1468178 -0.1962195), wk = 0.0035088 k( 260) = ( 0.5386157 0.1457727 -0.1709318), wk = 0.0035088 k( 261) = ( 0.5347541 0.1447276 -0.1456441), wk = 0.0035088 k( 262) = ( 0.5308926 0.1436825 -0.1203564), wk = 0.0035088 k( 263) = ( 0.5270310 0.1426374 -0.0950686), wk = 0.0035088 k( 264) = ( 0.5231694 0.1415923 -0.0697809), wk = 0.0035088 k( 265) = ( 0.5193079 0.1405472 -0.0444932), wk = 0.0035088 k( 266) = ( 0.5154463 0.1395021 -0.0192055), wk = 0.0035088 k( 267) = ( 0.5115847 0.1384570 0.0060822), wk = 0.0035088 k( 268) = ( 0.5077231 0.1374119 0.0313699), wk = 0.0035088 k( 269) = ( 0.5038616 0.1363667 0.0566576), wk = 0.0035088 k( 270) = ( 0.5000000 0.1353216 0.0819453), wk = 0.0035088 k( 271) = ( 0.5000000 -0.8560643 -0.5183981), wk = 0.0035088 k( 272) = ( 0.5226178 -0.8463985 -0.5125449), wk = 0.0035088 k( 273) = ( 0.5452355 -0.8367327 -0.5066916), wk = 0.0035088 k( 274) = ( 0.5678533 -0.8270668 -0.5008384), wk = 0.0035088 k( 275) = ( 0.5904710 -0.8174010 -0.4949852), wk = 0.0035088 k( 276) = ( 0.6130888 -0.8077352 -0.4891319), wk = 0.0035088 k( 277) = ( 0.6357066 -0.7980693 -0.4832787), wk = 0.0035088 k( 278) = ( 0.6583243 -0.7884035 -0.4774254), wk = 0.0035088 k( 279) = ( 0.6809421 -0.7787376 -0.4715722), wk = 0.0035088 k( 280) = ( 0.7035599 -0.7690718 -0.4657190), wk = 0.0035088 k( 281) = ( 0.7261776 -0.7594060 -0.4598657), wk = 0.0035088 k( 282) = ( 0.7487954 -0.7497402 -0.4540125), wk = 0.0035088 k( 283) = ( 0.7714131 -0.7400743 -0.4481593), wk = 0.0035088 k( 284) = ( 0.7940309 -0.7304085 -0.4423060), wk = 0.0035088 k( 285) = ( 0.8166487 -0.7207427 -0.4364528), wk = 0.0035088 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 2) = ( 0.0116279 0.0000000 -0.0000000), wk = 0.0035088 k( 3) = ( 0.0232558 0.0000000 0.0000000), wk = 0.0035088 k( 4) = ( 0.0348837 -0.0000000 -0.0000000), wk = 0.0035088 k( 5) = ( 0.0465116 0.0000000 0.0000000), wk = 0.0035088 k( 6) = ( 0.0581395 0.0000000 0.0000000), wk = 0.0035088 k( 7) = ( 0.0697674 -0.0000000 -0.0000000), wk = 0.0035088 k( 8) = ( 0.0813954 0.0000000 0.0000000), wk = 0.0035088 k( 9) = ( 0.0930233 0.0000000 0.0000000), wk = 0.0035088 k( 10) = ( 0.1046512 0.0000000 0.0000000), wk = 0.0035088 k( 11) = ( 0.1162791 0.0000000 0.0000000), wk = 0.0035088 k( 12) = ( 0.1279070 0.0000000 0.0000000), wk = 0.0035088 k( 13) = ( 0.1395349 -0.0000000 -0.0000000), wk = 0.0035088 k( 14) = ( 0.1511628 0.0000000 0.0000000), wk = 0.0035088 k( 15) = ( 0.1627907 0.0000000 0.0000000), wk = 0.0035088 k( 16) = ( 0.1744186 0.0000000 0.0000000), wk = 0.0035088 k( 17) = ( 0.1860465 0.0000000 0.0000000), wk = 0.0035088 k( 18) = ( 0.1976744 0.0000000 0.0000000), wk = 0.0035088 k( 19) = ( 0.2093023 0.0000000 0.0000000), wk = 0.0035088 k( 20) = ( 0.2209302 0.0000000 0.0000000), wk = 0.0035088 k( 21) = ( 0.2325581 0.0000000 0.0000000), wk = 0.0035088 k( 22) = ( 0.2441860 -0.0000000 0.0000000), wk = 0.0035088 k( 23) = ( 0.2558140 0.0000000 -0.0000000), wk = 0.0035088 k( 24) = ( 0.2674419 0.0000000 -0.0000000), wk = 0.0035088 k( 25) = ( 0.2790698 0.0000000 0.0000000), wk = 0.0035088 k( 26) = ( 0.2906977 -0.0000000 0.0000000), wk = 0.0035088 k( 27) = ( 0.3023256 0.0000000 0.0000000), wk = 0.0035088 k( 28) = ( 0.3139535 0.0000000 0.0000000), wk = 0.0035088 k( 29) = ( 0.3255814 0.0000000 0.0000000), wk = 0.0035088 k( 30) = ( 0.3372093 -0.0000000 -0.0000000), wk = 0.0035088 k( 31) = ( 0.3488372 0.0000000 0.0000000), wk = 0.0035088 k( 32) = ( 0.3604651 0.0000000 0.0000000), wk = 0.0035088 k( 33) = ( 0.3720930 0.0000000 0.0000000), wk = 0.0035088 k( 34) = ( 0.3837209 -0.0000000 0.0000000), wk = 0.0035088 k( 35) = ( 0.3953488 0.0000000 0.0000000), wk = 0.0035088 k( 36) = ( 0.4069767 0.0000000 -0.0000000), wk = 0.0035088 k( 37) = ( 0.4186047 0.0000000 -0.0000000), wk = 0.0035088 k( 38) = ( 0.4302326 0.0000000 0.0000000), wk = 0.0035088 k( 39) = ( 0.4418605 0.0000000 0.0000000), wk = 0.0035088 k( 40) = ( 0.4534884 0.0000000 0.0000000), wk = 0.0035088 k( 41) = ( 0.4651163 0.0000000 0.0000000), wk = 0.0035088 k( 42) = ( 0.4767442 0.0000000 -0.0000000), wk = 0.0035088 k( 43) = ( 0.4883721 -0.0000000 -0.0000000), wk = 0.0035088 k( 44) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0035088 k( 45) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0035088 k( 46) = ( 0.5000000 0.0067908 -0.0067908), wk = 0.0035088 k( 47) = ( 0.5000000 0.0135816 -0.0135816), wk = 0.0035088 k( 48) = ( 0.5000000 0.0203724 -0.0203724), wk = 0.0035088 k( 49) = ( 0.5000000 0.0271632 -0.0271632), wk = 0.0035088 k( 50) = ( 0.5000000 0.0339540 -0.0339539), wk = 0.0035088 k( 51) = ( 0.5000000 0.0407447 -0.0407447), wk = 0.0035088 k( 52) = ( 0.5000000 0.0475355 -0.0475355), wk = 0.0035088 k( 53) = ( 0.5000000 0.0543263 -0.0543263), wk = 0.0035088 k( 54) = ( 0.5000000 0.0611171 -0.0611171), wk = 0.0035088 k( 55) = ( 0.5000000 0.0679079 -0.0679079), wk = 0.0035088 k( 56) = ( 0.5000000 0.0746987 -0.0746987), wk = 0.0035088 k( 57) = ( 0.5000000 0.0814895 -0.0814895), wk = 0.0035088 k( 58) = ( 0.5000000 0.0882803 -0.0882803), wk = 0.0035088 k( 59) = ( 0.5000000 0.0950711 -0.0950711), wk = 0.0035088 k( 60) = ( 0.5000000 0.1018619 -0.1018618), wk = 0.0035088 k( 61) = ( 0.5000000 0.1086526 -0.1086526), wk = 0.0035088 k( 62) = ( 0.5000000 0.1154434 -0.1154434), wk = 0.0035088 k( 63) = ( 0.5000000 0.1222342 -0.1222342), wk = 0.0035088 k( 64) = ( 0.5000000 0.1290250 -0.1290250), wk = 0.0035088 k( 65) = ( 0.5000000 0.1358158 -0.1358158), wk = 0.0035088 k( 66) = ( 0.5000000 0.1426066 -0.1426066), wk = 0.0035088 k( 67) = ( 0.5000000 0.1493974 -0.1493974), wk = 0.0035088 k( 68) = ( 0.5000000 0.1561882 -0.1561882), wk = 0.0035088 k( 69) = ( 0.5000000 0.1629790 -0.1629789), wk = 0.0035088 k( 70) = ( 0.5000000 0.1697697 -0.1697697), wk = 0.0035088 k( 71) = ( 0.5000000 0.1765605 -0.1765605), wk = 0.0035088 k( 72) = ( 0.5000000 0.1833513 -0.1833513), wk = 0.0035088 k( 73) = ( 0.8166487 0.5000000 0.1833513), wk = 0.0035088 k( 74) = ( 0.8099115 0.5000000 0.1900885), wk = 0.0035088 k( 75) = ( 0.8031743 0.5000000 0.1968257), wk = 0.0035088 k( 76) = ( 0.7964371 0.5000000 0.2035629), wk = 0.0035088 k( 77) = ( 0.7896998 0.5000000 0.2103002), wk = 0.0035088 k( 78) = ( 0.7829626 0.5000000 0.2170374), wk = 0.0035088 k( 79) = ( 0.7762254 0.5000000 0.2237746), wk = 0.0035088 k( 80) = ( 0.7694882 0.5000000 0.2305118), wk = 0.0035088 k( 81) = ( 0.7627510 0.5000000 0.2372490), wk = 0.0035088 k( 82) = ( 0.7560138 0.5000000 0.2439862), wk = 0.0035088 k( 83) = ( 0.7492766 0.5000000 0.2507234), wk = 0.0035088 k( 84) = ( 0.7425394 0.5000000 0.2574606), wk = 0.0035088 k( 85) = ( 0.7358022 0.5000000 0.2641978), wk = 0.0035088 k( 86) = ( 0.7290650 0.5000000 0.2709350), wk = 0.0035088 k( 87) = ( 0.7223278 0.5000000 0.2776722), wk = 0.0035088 k( 88) = ( 0.7155906 0.5000000 0.2844094), wk = 0.0035088 k( 89) = ( 0.7088534 0.5000000 0.2911466), wk = 0.0035088 k( 90) = ( 0.7021162 0.5000000 0.2978838), wk = 0.0035088 k( 91) = ( 0.6953790 0.5000000 0.3046210), wk = 0.0035088 k( 92) = ( 0.6886418 0.5000000 0.3113582), wk = 0.0035088 k( 93) = ( 0.6819046 0.5000000 0.3180954), wk = 0.0035088 k( 94) = ( 0.6751674 0.5000000 0.3248326), wk = 0.0035088 k( 95) = ( 0.6684301 0.5000000 0.3315698), wk = 0.0035088 k( 96) = ( 0.6616929 0.5000000 0.3383071), wk = 0.0035088 k( 97) = ( 0.6549557 0.5000000 0.3450443), wk = 0.0035088 k( 98) = ( 0.6482185 0.5000000 0.3517815), wk = 0.0035088 k( 99) = ( 0.6414813 0.5000000 0.3585187), wk = 0.0035088 k( 100) = ( 0.6347441 0.5000000 0.3652559), wk = 0.0035088 k( 101) = ( 0.6280069 0.5000000 0.3719931), wk = 0.0035088 k( 102) = ( 0.6212697 0.5000000 0.3787303), wk = 0.0035088 k( 103) = ( 0.6145325 0.5000000 0.3854675), wk = 0.0035088 k( 104) = ( 0.6077953 0.5000000 0.3922047), wk = 0.0035088 k( 105) = ( 0.6010581 0.5000000 0.3989419), wk = 0.0035088 k( 106) = ( 0.5943209 0.5000000 0.4056791), wk = 0.0035088 k( 107) = ( 0.5875837 0.5000000 0.4124163), wk = 0.0035088 k( 108) = ( 0.5808465 0.5000000 0.4191535), wk = 0.0035088 k( 109) = ( 0.5741093 0.5000000 0.4258907), wk = 0.0035088 k( 110) = ( 0.5673721 0.5000000 0.4326279), wk = 0.0035088 k( 111) = ( 0.5606349 0.5000000 0.4393651), wk = 0.0035088 k( 112) = ( 0.5538977 0.5000000 0.4461023), wk = 0.0035088 k( 113) = ( 0.5471604 0.5000000 0.4528396), wk = 0.0035088 k( 114) = ( 0.5404232 0.5000000 0.4595768), wk = 0.0035088 k( 115) = ( 0.5336860 0.5000000 0.4663140), wk = 0.0035088 k( 116) = ( 0.5269488 0.5000000 0.4730512), wk = 0.0035088 k( 117) = ( 0.5202116 0.5000000 0.4797884), wk = 0.0035088 k( 118) = ( 0.5134744 0.5000000 0.4865256), wk = 0.0035088 k( 119) = ( 0.5067372 0.5000000 0.4932628), wk = 0.0035088 k( 120) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035088 k( 121) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035088 k( 122) = ( 0.4761905 0.4761905 0.4761905), wk = 0.0035088 k( 123) = ( 0.4523810 0.4523810 0.4523809), wk = 0.0035088 k( 124) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0035088 k( 125) = ( 0.4047619 0.4047619 0.4047619), wk = 0.0035088 k( 126) = ( 0.3809524 0.3809524 0.3809524), wk = 0.0035088 k( 127) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0035088 k( 128) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0035088 k( 129) = ( 0.3095238 0.3095238 0.3095238), wk = 0.0035088 k( 130) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0035088 k( 131) = ( 0.2619048 0.2619048 0.2619048), wk = 0.0035088 k( 132) = ( 0.2380952 0.2380952 0.2380952), wk = 0.0035088 k( 133) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0035088 k( 134) = ( 0.1904762 0.1904762 0.1904762), wk = 0.0035088 k( 135) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0035088 k( 136) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0035088 k( 137) = ( 0.1190476 0.1190476 0.1190476), wk = 0.0035088 k( 138) = ( 0.0952381 0.0952381 0.0952381), wk = 0.0035088 k( 139) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0035088 k( 140) = ( 0.0476191 0.0476190 0.0476190), wk = 0.0035088 k( 141) = ( 0.0238095 0.0238095 0.0238095), wk = 0.0035088 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 144) = ( 0.0066995 0.0000000 -0.0066995), wk = 0.0035088 k( 145) = ( 0.0133990 -0.0000000 -0.0133990), wk = 0.0035088 k( 146) = ( 0.0200986 -0.0000000 -0.0200986), wk = 0.0035088 k( 147) = ( 0.0267981 0.0000000 -0.0267981), wk = 0.0035088 k( 148) = ( 0.0334976 0.0000000 -0.0334976), wk = 0.0035088 k( 149) = ( 0.0401971 -0.0000000 -0.0401971), wk = 0.0035088 k( 150) = ( 0.0468967 0.0000000 -0.0468967), wk = 0.0035088 k( 151) = ( 0.0535962 0.0000000 -0.0535962), wk = 0.0035088 k( 152) = ( 0.0602957 0.0000000 -0.0602957), wk = 0.0035088 k( 153) = ( 0.0669952 -0.0000000 -0.0669952), wk = 0.0035088 k( 154) = ( 0.0736948 -0.0000000 -0.0736948), wk = 0.0035088 k( 155) = ( 0.0803943 0.0000000 -0.0803943), wk = 0.0035088 k( 156) = ( 0.0870938 0.0000000 -0.0870938), wk = 0.0035088 k( 157) = ( 0.0937933 0.0000000 -0.0937933), wk = 0.0035088 k( 158) = ( 0.1004928 -0.0000000 -0.1004928), wk = 0.0035088 k( 159) = ( 0.1071924 0.0000000 -0.1071924), wk = 0.0035088 k( 160) = ( 0.1138919 0.0000000 -0.1138919), wk = 0.0035088 k( 161) = ( 0.1205914 0.0000000 -0.1205914), wk = 0.0035088 k( 162) = ( 0.1272909 -0.0000000 -0.1272909), wk = 0.0035088 k( 163) = ( 0.1339905 -0.0000000 -0.1339905), wk = 0.0035088 k( 164) = ( 0.1406900 0.0000000 -0.1406900), wk = 0.0035088 k( 165) = ( 0.1473895 -0.0000000 -0.1473895), wk = 0.0035088 k( 166) = ( 0.1540890 0.0000000 -0.1540890), wk = 0.0035088 k( 167) = ( 0.1607886 0.0000000 -0.1607885), wk = 0.0035088 k( 168) = ( 0.1674881 0.0000000 -0.1674881), wk = 0.0035088 k( 169) = ( 0.1741876 0.0000000 -0.1741876), wk = 0.0035088 k( 170) = ( 0.1808871 0.0000000 -0.1808871), wk = 0.0035088 k( 171) = ( 0.1875866 0.0000000 -0.1875866), wk = 0.0035088 k( 172) = ( 0.1942862 -0.0000000 -0.1942862), wk = 0.0035088 k( 173) = ( 0.2009857 -0.0000000 -0.2009857), wk = 0.0035088 k( 174) = ( 0.2076852 0.0000000 -0.2076852), wk = 0.0035088 k( 175) = ( 0.2143847 0.0000000 -0.2143847), wk = 0.0035088 k( 176) = ( 0.2210843 -0.0000000 -0.2210842), wk = 0.0035088 k( 177) = ( 0.2277838 0.0000000 -0.2277838), wk = 0.0035088 k( 178) = ( 0.2344833 0.0000000 -0.2344833), wk = 0.0035088 k( 179) = ( 0.2411828 0.0000000 -0.2411828), wk = 0.0035088 k( 180) = ( 0.2478823 0.0000000 -0.2478823), wk = 0.0035088 k( 181) = ( 0.2545819 0.0000000 -0.2545819), wk = 0.0035088 k( 182) = ( 0.2612814 0.0000000 -0.2612814), wk = 0.0035088 k( 183) = ( 0.2679809 -0.0000000 -0.2679809), wk = 0.0035088 k( 184) = ( 0.2746804 -0.0000000 -0.2746804), wk = 0.0035088 k( 185) = ( 0.2813800 0.0000000 -0.2813800), wk = 0.0035088 k( 186) = ( 0.2880795 0.0000000 -0.2880795), wk = 0.0035088 k( 187) = ( 0.2947790 -0.0000000 -0.2947790), wk = 0.0035088 k( 188) = ( 0.3014785 0.0000000 -0.3014785), wk = 0.0035088 k( 189) = ( 0.3081780 0.0000000 -0.3081780), wk = 0.0035088 k( 190) = ( 0.3148776 0.0000000 -0.3148776), wk = 0.0035088 k( 191) = ( 0.3215771 0.0000000 -0.3215771), wk = 0.0035088 k( 192) = ( 0.3282766 -0.0000000 -0.3282766), wk = 0.0035088 k( 193) = ( 0.3349761 0.0000000 -0.3349761), wk = 0.0035088 k( 194) = ( 0.3416757 0.0000000 -0.3416757), wk = 0.0035088 k( 195) = ( 0.6583243 0.3416757 -0.0000000), wk = 0.0035088 k( 196) = ( 0.6517275 0.3482725 -0.0000000), wk = 0.0035088 k( 197) = ( 0.6451306 0.3548694 0.0000000), wk = 0.0035088 k( 198) = ( 0.6385338 0.3614662 0.0000000), wk = 0.0035088 k( 199) = ( 0.6319370 0.3680631 0.0000000), wk = 0.0035088 k( 200) = ( 0.6253401 0.3746599 -0.0000000), wk = 0.0035088 k( 201) = ( 0.6187432 0.3812567 -0.0000000), wk = 0.0035088 k( 202) = ( 0.6121464 0.3878536 0.0000000), wk = 0.0035088 k( 203) = ( 0.6055496 0.3944504 0.0000000), wk = 0.0035088 k( 204) = ( 0.5989527 0.4010473 0.0000000), wk = 0.0035088 k( 205) = ( 0.5923559 0.4076441 -0.0000000), wk = 0.0035088 k( 206) = ( 0.5857590 0.4142410 0.0000000), wk = 0.0035088 k( 207) = ( 0.5791622 0.4208378 -0.0000000), wk = 0.0035088 k( 208) = ( 0.5725653 0.4274347 -0.0000000), wk = 0.0035088 k( 209) = ( 0.5659685 0.4340315 -0.0000000), wk = 0.0035088 k( 210) = ( 0.5593716 0.4406284 0.0000000), wk = 0.0035088 k( 211) = ( 0.5527748 0.4472252 0.0000000), wk = 0.0035088 k( 212) = ( 0.5461779 0.4538221 -0.0000000), wk = 0.0035088 k( 213) = ( 0.5395811 0.4604189 -0.0000000), wk = 0.0035088 k( 214) = ( 0.5329842 0.4670158 0.0000000), wk = 0.0035088 k( 215) = ( 0.5263874 0.4736126 0.0000000), wk = 0.0035088 k( 216) = ( 0.5197905 0.4802095 0.0000000), wk = 0.0035088 k( 217) = ( 0.5131937 0.4868063 -0.0000000), wk = 0.0035088 k( 218) = ( 0.5065968 0.4934032 0.0000000), wk = 0.0035088 k( 219) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035088 k( 220) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035088 k( 221) = ( 0.5197905 0.5197905 0.0229189), wk = 0.0035088 k( 222) = ( 0.5395811 0.5395811 0.0458378), wk = 0.0035088 k( 223) = ( 0.5593716 0.5593716 0.0687568), wk = 0.0035088 k( 224) = ( 0.5791622 0.5791622 0.0916757), wk = 0.0035088 k( 225) = ( 0.5989527 0.5989527 0.1145946), wk = 0.0035088 k( 226) = ( 0.6187432 0.6187432 0.1375135), wk = 0.0035088 k( 227) = ( 0.6385338 0.6385338 0.1604324), wk = 0.0035088 k( 228) = ( 0.6583243 0.6583243 0.1833513), wk = 0.0035088 k( 229) = ( 0.6583243 0.6583243 0.1833513), wk = 0.0035088 k( 230) = ( 0.6544628 0.6544628 0.1910745), wk = 0.0035088 k( 231) = ( 0.6506012 0.6506012 0.1987976), wk = 0.0035088 k( 232) = ( 0.6467396 0.6467396 0.2065207), wk = 0.0035088 k( 233) = ( 0.6428781 0.6428781 0.2142439), wk = 0.0035088 k( 234) = ( 0.6390165 0.6390165 0.2219670), wk = 0.0035088 k( 235) = ( 0.6351549 0.6351549 0.2296901), wk = 0.0035088 k( 236) = ( 0.6312933 0.6312933 0.2374133), wk = 0.0035088 k( 237) = ( 0.6274318 0.6274318 0.2451364), wk = 0.0035088 k( 238) = ( 0.6235702 0.6235702 0.2528596), wk = 0.0035088 k( 239) = ( 0.6197086 0.6197086 0.2605827), wk = 0.0035088 k( 240) = ( 0.6158471 0.6158471 0.2683059), wk = 0.0035088 k( 241) = ( 0.6119855 0.6119855 0.2760290), wk = 0.0035088 k( 242) = ( 0.6081239 0.6081239 0.2837521), wk = 0.0035088 k( 243) = ( 0.6042624 0.6042624 0.2914753), wk = 0.0035088 k( 244) = ( 0.6004008 0.6004008 0.2991984), wk = 0.0035088 k( 245) = ( 0.5965392 0.5965392 0.3069215), wk = 0.0035088 k( 246) = ( 0.5926777 0.5926777 0.3146447), wk = 0.0035088 k( 247) = ( 0.5888161 0.5888161 0.3223678), wk = 0.0035088 k( 248) = ( 0.5849545 0.5849545 0.3300909), wk = 0.0035088 k( 249) = ( 0.5810930 0.5810930 0.3378141), wk = 0.0035088 k( 250) = ( 0.5772314 0.5772314 0.3455372), wk = 0.0035088 k( 251) = ( 0.5733698 0.5733698 0.3532604), wk = 0.0035088 k( 252) = ( 0.5695083 0.5695083 0.3609835), wk = 0.0035088 k( 253) = ( 0.5656467 0.5656467 0.3687067), wk = 0.0035088 k( 254) = ( 0.5617851 0.5617851 0.3764298), wk = 0.0035088 k( 255) = ( 0.5579235 0.5579235 0.3841529), wk = 0.0035088 k( 256) = ( 0.5540620 0.5540620 0.3918761), wk = 0.0035088 k( 257) = ( 0.5502004 0.5502004 0.3995992), wk = 0.0035088 k( 258) = ( 0.5463388 0.5463388 0.4073223), wk = 0.0035088 k( 259) = ( 0.5424773 0.5424773 0.4150455), wk = 0.0035088 k( 260) = ( 0.5386157 0.5386157 0.4227686), wk = 0.0035088 k( 261) = ( 0.5347541 0.5347541 0.4304918), wk = 0.0035088 k( 262) = ( 0.5308926 0.5308926 0.4382149), wk = 0.0035088 k( 263) = ( 0.5270310 0.5270310 0.4459380), wk = 0.0035088 k( 264) = ( 0.5231694 0.5231694 0.4536612), wk = 0.0035088 k( 265) = ( 0.5193079 0.5193079 0.4613843), wk = 0.0035088 k( 266) = ( 0.5154463 0.5154463 0.4691074), wk = 0.0035088 k( 267) = ( 0.5115847 0.5115847 0.4768306), wk = 0.0035088 k( 268) = ( 0.5077231 0.5077231 0.4845537), wk = 0.0035088 k( 269) = ( 0.5038616 0.5038616 0.4922769), wk = 0.0035088 k( 270) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035088 k( 271) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0035088 k( 272) = ( 0.5226178 0.0244054 0.0244054), wk = 0.0035088 k( 273) = ( 0.5452355 0.0488108 0.0488108), wk = 0.0035088 k( 274) = ( 0.5678533 0.0732162 0.0732162), wk = 0.0035088 k( 275) = ( 0.5904710 0.0976216 0.0976216), wk = 0.0035088 k( 276) = ( 0.6130888 0.1220270 0.1220270), wk = 0.0035088 k( 277) = ( 0.6357066 0.1464324 0.1464324), wk = 0.0035088 k( 278) = ( 0.6583243 0.1708378 0.1708378), wk = 0.0035088 k( 279) = ( 0.6809421 0.1952432 0.1952432), wk = 0.0035088 k( 280) = ( 0.7035599 0.2196486 0.2196486), wk = 0.0035088 k( 281) = ( 0.7261776 0.2440540 0.2440540), wk = 0.0035088 k( 282) = ( 0.7487954 0.2684594 0.2684594), wk = 0.0035088 k( 283) = ( 0.7714131 0.2928649 0.2928649), wk = 0.0035088 k( 284) = ( 0.7940309 0.3172703 0.3172703), wk = 0.0035088 k( 285) = ( 0.8166487 0.3416757 0.3416757), wk = 0.0035088 Dense grid: 118121 G-vectors FFT dimensions: ( 108, 108, 108) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.51 Mb ( 828, 40) NL pseudopotentials 1.00 Mb ( 414, 158) Each V/rho on FFT grid 0.53 Mb ( 34992) Each G-vector array 0.03 Mb ( 3282) G-vector shells 0.02 Mb ( 2714) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.02 Mb ( 828, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.19 Mb ( 158, 2, 40) The potential is recalculated from file : ./SrxLi2Px2.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.7 secs Computing kpt #: 2 total cpu time spent up to now is 7.5 secs Computing kpt #: 3 total cpu time spent up to now is 9.4 secs Computing kpt #: 4 total cpu time spent up to now is 11.2 secs Computing kpt #: 5 total cpu time spent up to now is 13.0 secs Computing kpt #: 6 total cpu time spent up to now is 15.1 secs Computing kpt #: 7 total cpu time spent up to now is 16.9 secs Computing kpt #: 8 total cpu time spent up to now is 19.1 secs Computing kpt #: 9 total cpu time spent up to now is 21.2 secs Computing kpt #: 10 total cpu time spent up to now is 23.3 secs Computing kpt #: 11 total cpu time spent up to now is 25.5 secs Computing kpt #: 12 total cpu time spent up to now is 27.7 secs Computing kpt #: 13 total cpu time spent up to now is 29.8 secs Computing kpt #: 14 total cpu time spent up to now is 32.0 secs Computing kpt #: 15 total cpu time spent up to now is 34.1 secs Computing kpt #: 16 total cpu time spent up to now is 36.3 secs Computing kpt #: 17 total cpu time spent up to now is 38.5 secs Computing kpt #: 18 total cpu time spent up to now is 40.6 secs Computing kpt #: 19 total cpu time spent up to now is 42.7 secs Computing kpt #: 20 total cpu time spent up to now is 44.9 secs Computing kpt #: 21 total cpu time spent up to now is 47.0 secs Computing kpt #: 22 total cpu time spent up to now is 49.5 secs Computing kpt #: 23 total cpu time spent up to now is 51.7 secs Computing kpt #: 24 total cpu time spent up to now is 53.8 secs Computing kpt #: 25 total cpu time spent up to now is 56.0 secs Computing kpt #: 26 total cpu time spent up to now is 58.1 secs Computing kpt #: 27 total cpu time spent up to now is 60.2 secs Computing kpt #: 28 total cpu time spent up to now is 62.3 secs Computing kpt #: 29 total cpu time spent up to now is 64.5 secs Computing kpt #: 30 total cpu time spent up to now is 66.6 secs Computing kpt #: 31 total cpu time spent up to now is 68.7 secs Computing kpt #: 32 total cpu time spent up to now is 70.9 secs Computing kpt #: 33 total cpu time spent up to now is 73.0 secs Computing kpt #: 34 total cpu time spent up to now is 75.1 secs Computing kpt #: 35 total cpu time spent up to now is 77.2 secs Computing kpt #: 36 total cpu time spent up to now is 79.9 secs Computing kpt #: 37 total cpu time spent up to now is 82.0 secs Computing kpt #: 38 total cpu time spent up to now is 84.1 secs Computing kpt #: 39 total cpu time spent up to now is 86.2 secs Computing kpt #: 40 total cpu time spent up to now is 88.4 secs Computing kpt #: 41 total cpu time spent up to now is 90.5 secs Computing kpt #: 42 total cpu time spent up to now is 92.5 secs Computing kpt #: 43 total cpu time spent up to now is 94.7 secs Computing kpt #: 44 total cpu time spent up to now is 96.8 secs Computing kpt #: 45 total cpu time spent up to now is 98.8 secs Computing kpt #: 46 total cpu time spent up to now is 100.9 secs Computing kpt #: 47 total cpu time spent up to now is 103.1 secs Computing kpt #: 48 total cpu time spent up to now is 105.2 secs Computing kpt #: 49 total cpu time spent up to now is 107.3 secs Computing kpt #: 50 total cpu time spent up to now is 109.4 secs Computing kpt #: 51 total cpu time spent up to now is 111.2 secs Computing kpt #: 52 total cpu time spent up to now is 113.1 secs Computing kpt #: 53 total cpu time spent up to now is 114.9 secs Computing kpt #: 54 total cpu time spent up to now is 116.7 secs Computing kpt #: 55 total cpu time spent up to now is 118.5 secs Computing kpt #: 56 total cpu time spent up to now is 120.4 secs Computing kpt #: 57 total cpu time spent up to now is 122.2 secs Computing kpt #: 58 total cpu time spent up to now is 124.0 secs Computing kpt #: 59 total cpu time spent up to now is 125.8 secs Computing kpt #: 60 total cpu time spent up to now is 127.6 secs Computing kpt #: 61 total cpu time spent up to now is 129.4 secs Computing kpt #: 62 total cpu time spent up to now is 131.2 secs Computing kpt #: 63 total cpu time spent up to now is 133.0 secs Computing kpt #: 64 total cpu time spent up to now is 134.7 secs Computing kpt #: 65 total cpu time spent up to now is 136.5 secs Computing kpt #: 66 total cpu time spent up to now is 138.3 secs Computing kpt #: 67 total cpu time spent up to now is 140.1 secs Computing kpt #: 68 total cpu time spent up to now is 141.8 secs Computing kpt #: 69 total cpu time spent up to now is 143.6 secs Computing kpt #: 70 total cpu time spent up to now is 145.4 secs Computing kpt #: 71 total cpu time spent up to now is 147.1 secs Computing kpt #: 72 total cpu time spent up to now is 148.9 secs Computing kpt #: 73 total cpu time spent up to now is 150.6 secs Computing kpt #: 74 total cpu time spent up to now is 152.4 secs Computing kpt #: 75 total cpu time spent up to now is 154.2 secs Computing kpt #: 76 total cpu time spent up to now is 155.9 secs Computing kpt #: 77 total cpu time spent up to now is 157.7 secs Computing kpt #: 78 total cpu time spent up to now is 159.4 secs Computing kpt #: 79 total cpu time spent up to now is 161.2 secs Computing kpt #: 80 total cpu time spent up to now is 162.9 secs Computing kpt #: 81 total cpu time spent up to now is 164.6 secs Computing kpt #: 82 total cpu time spent up to now is 166.4 secs Computing kpt #: 83 total cpu time spent up to now is 168.2 secs Computing kpt #: 84 total cpu time spent up to now is 170.0 secs Computing kpt #: 85 total cpu time spent up to now is 171.8 secs Computing kpt #: 86 total cpu time spent up to now is 173.5 secs Computing kpt #: 87 total cpu time spent up to now is 175.3 secs Computing kpt #: 88 total cpu time spent up to now is 177.1 secs Computing kpt #: 89 total cpu time spent up to now is 178.8 secs Computing kpt #: 90 total cpu time spent up to now is 180.6 secs Computing kpt #: 91 total cpu time spent up to now is 182.3 secs Computing kpt #: 92 total cpu time spent up to now is 184.0 secs Computing kpt #: 93 total cpu time spent up to now is 185.8 secs Computing kpt #: 94 total cpu time spent up to now is 187.5 secs Computing kpt #: 95 total cpu time spent up to now is 189.3 secs Computing kpt #: 96 total cpu time spent up to now is 191.1 secs Computing kpt #: 97 total cpu time spent up to now is 192.9 secs Computing kpt #: 98 total cpu time spent up to now is 194.7 secs Computing kpt #: 99 total cpu time spent up to now is 196.5 secs Computing kpt #: 100 total cpu time spent up to now is 198.3 secs Computing kpt #: 101 total cpu time spent up to now is 200.1 secs Computing kpt #: 102 total cpu time spent up to now is 201.9 secs Computing kpt #: 103 total cpu time spent up to now is 203.7 secs Computing kpt #: 104 total cpu time spent up to now is 205.5 secs Computing kpt #: 105 total cpu time spent up to now is 207.4 secs Computing kpt #: 106 total cpu time spent up to now is 209.2 secs Computing kpt #: 107 total cpu time spent up to now is 211.4 secs Computing kpt #: 108 total cpu time spent up to now is 213.6 secs Computing kpt #: 109 total cpu time spent up to now is 215.7 secs Computing kpt #: 110 total cpu time spent up to now is 217.9 secs Computing kpt #: 111 total cpu time spent up to now is 220.2 secs Computing kpt #: 112 total cpu time spent up to now is 222.4 secs Computing kpt #: 113 total cpu time spent up to now is 224.6 secs Computing kpt #: 114 total cpu time spent up to now is 226.8 secs Computing kpt #: 115 total cpu time spent up to now is 229.1 secs Computing kpt #: 116 total cpu time spent up to now is 231.5 secs Computing kpt #: 117 total cpu time spent up to now is 233.7 secs Computing kpt #: 118 total cpu time spent up to now is 235.9 secs Computing kpt #: 119 total cpu time spent up to now is 238.1 secs Computing kpt #: 120 total cpu time spent up to now is 240.2 secs Computing kpt #: 121 total cpu time spent up to now is 242.0 secs Computing kpt #: 122 total cpu time spent up to now is 244.1 secs Computing kpt #: 123 total cpu time spent up to now is 246.2 secs Computing kpt #: 124 total cpu time spent up to now is 248.3 secs Computing kpt #: 125 total cpu time spent up to now is 250.4 secs Computing kpt #: 126 total cpu time spent up to now is 252.5 secs Computing kpt #: 127 total cpu time spent up to now is 254.6 secs Computing kpt #: 128 total cpu time spent up to now is 256.7 secs Computing kpt #: 129 total cpu time spent up to now is 258.6 secs Computing kpt #: 130 total cpu time spent up to now is 260.7 secs Computing kpt #: 131 total cpu time spent up to now is 262.8 secs Computing kpt #: 132 total cpu time spent up to now is 264.9 secs Computing kpt #: 133 total cpu time spent up to now is 267.0 secs Computing kpt #: 134 total cpu time spent up to now is 269.2 secs Computing kpt #: 135 total cpu time spent up to now is 271.3 secs Computing kpt #: 136 total cpu time spent up to now is 273.4 secs Computing kpt #: 137 total cpu time spent up to now is 275.6 secs Computing kpt #: 138 total cpu time spent up to now is 277.7 secs Computing kpt #: 139 total cpu time spent up to now is 279.5 secs Computing kpt #: 140 total cpu time spent up to now is 281.3 secs Computing kpt #: 141 total cpu time spent up to now is 283.2 secs Computing kpt #: 142 total cpu time spent up to now is 285.0 secs Computing kpt #: 143 total cpu time spent up to now is 286.8 secs Computing kpt #: 144 total cpu time spent up to now is 288.7 secs Computing kpt #: 145 total cpu time spent up to now is 290.5 secs Computing kpt #: 146 total cpu time spent up to now is 292.3 secs Computing kpt #: 147 total cpu time spent up to now is 294.1 secs Computing kpt #: 148 total cpu time spent up to now is 296.2 secs Computing kpt #: 149 total cpu time spent up to now is 298.0 secs Computing kpt #: 150 total cpu time spent up to now is 300.2 secs Computing kpt #: 151 total cpu time spent up to now is 302.4 secs Computing kpt #: 152 total cpu time spent up to now is 304.5 secs Computing kpt #: 153 total cpu time spent up to now is 306.7 secs Computing kpt #: 154 total cpu time spent up to now is 309.0 secs Computing kpt #: 155 total cpu time spent up to now is 311.2 secs Computing kpt #: 156 total cpu time spent up to now is 313.1 secs Computing kpt #: 157 total cpu time spent up to now is 314.9 secs Computing kpt #: 158 total cpu time spent up to now is 316.7 secs Computing kpt #: 159 total cpu time spent up to now is 318.5 secs Computing kpt #: 160 total cpu time spent up to now is 320.3 secs Computing kpt #: 161 total cpu time spent up to now is 322.0 secs Computing kpt #: 162 total cpu time spent up to now is 323.8 secs Computing kpt #: 163 total cpu time spent up to now is 325.6 secs Computing kpt #: 164 total cpu time spent up to now is 327.4 secs Computing kpt #: 165 total cpu time spent up to now is 329.1 secs Computing kpt #: 166 total cpu time spent up to now is 330.9 secs Computing kpt #: 167 total cpu time spent up to now is 332.7 secs Computing kpt #: 168 total cpu time spent up to now is 334.5 secs Computing kpt #: 169 total cpu time spent up to now is 336.3 secs Computing kpt #: 170 total cpu time spent up to now is 338.1 secs Computing kpt #: 171 total cpu time spent up to now is 339.9 secs Computing kpt #: 172 total cpu time spent up to now is 341.7 secs Computing kpt #: 173 total cpu time spent up to now is 343.5 secs Computing kpt #: 174 total cpu time spent up to now is 345.3 secs Computing kpt #: 175 total cpu time spent up to now is 347.1 secs Computing kpt #: 176 total cpu time spent up to now is 348.8 secs Computing kpt #: 177 total cpu time spent up to now is 350.6 secs Computing kpt #: 178 total cpu time spent up to now is 352.3 secs Computing kpt #: 179 total cpu time spent up to now is 354.1 secs Computing kpt #: 180 total cpu time spent up to now is 355.8 secs Computing kpt #: 181 total cpu time spent up to now is 357.6 secs Computing kpt #: 182 total cpu time spent up to now is 359.3 secs Computing kpt #: 183 total cpu time spent up to now is 361.1 secs Computing kpt #: 184 total cpu time spent up to now is 362.9 secs Computing kpt #: 185 total cpu time spent up to now is 364.7 secs Computing kpt #: 186 total cpu time spent up to now is 366.5 secs Computing kpt #: 187 total cpu time spent up to now is 368.2 secs Computing kpt #: 188 total cpu time spent up to now is 370.0 secs Computing kpt #: 189 total cpu time spent up to now is 371.8 secs Computing kpt #: 190 total cpu time spent up to now is 373.6 secs Computing kpt #: 191 total cpu time spent up to now is 375.4 secs Computing kpt #: 192 total cpu time spent up to now is 377.2 secs Computing kpt #: 193 total cpu time spent up to now is 379.5 secs Computing kpt #: 194 total cpu time spent up to now is 381.6 secs Computing kpt #: 195 total cpu time spent up to now is 383.4 secs Computing kpt #: 196 total cpu time spent up to now is 385.2 secs Computing kpt #: 197 total cpu time spent up to now is 386.9 secs Computing kpt #: 198 total cpu time spent up to now is 388.7 secs Computing kpt #: 199 total cpu time spent up to now is 390.4 secs Computing kpt #: 200 total cpu time spent up to now is 392.1 secs Computing kpt #: 201 total cpu time spent up to now is 393.8 secs Computing kpt #: 202 total cpu time spent up to now is 395.5 secs Computing kpt #: 203 total cpu time spent up to now is 397.2 secs Computing kpt #: 204 total cpu time spent up to now is 398.9 secs Computing kpt #: 205 total cpu time spent up to now is 400.6 secs Computing kpt #: 206 total cpu time spent up to now is 402.3 secs Computing kpt #: 207 total cpu time spent up to now is 404.0 secs Computing kpt #: 208 total cpu time spent up to now is 405.7 secs Computing kpt #: 209 total cpu time spent up to now is 407.4 secs Computing kpt #: 210 total cpu time spent up to now is 409.1 secs Computing kpt #: 211 total cpu time spent up to now is 410.8 secs Computing kpt #: 212 total cpu time spent up to now is 412.5 secs Computing kpt #: 213 total cpu time spent up to now is 414.3 secs Computing kpt #: 214 total cpu time spent up to now is 416.0 secs Computing kpt #: 215 total cpu time spent up to now is 417.8 secs Computing kpt #: 216 total cpu time spent up to now is 419.5 secs Computing kpt #: 217 total cpu time spent up to now is 421.5 secs Computing kpt #: 218 total cpu time spent up to now is 423.5 secs Computing kpt #: 219 total cpu time spent up to now is 426.2 secs Computing kpt #: 220 total cpu time spent up to now is 428.6 secs Computing kpt #: 221 total cpu time spent up to now is 430.8 secs Computing kpt #: 222 total cpu time spent up to now is 432.9 secs Computing kpt #: 223 total cpu time spent up to now is 435.1 secs Computing kpt #: 224 total cpu time spent up to now is 437.2 secs Computing kpt #: 225 total cpu time spent up to now is 439.4 secs Computing kpt #: 226 total cpu time spent up to now is 441.4 secs Computing kpt #: 227 total cpu time spent up to now is 443.5 secs Computing kpt #: 228 total cpu time spent up to now is 445.6 secs Computing kpt #: 229 total cpu time spent up to now is 447.6 secs Computing kpt #: 230 total cpu time spent up to now is 449.7 secs Computing kpt #: 231 total cpu time spent up to now is 451.8 secs Computing kpt #: 232 total cpu time spent up to now is 453.8 secs Computing kpt #: 233 total cpu time spent up to now is 455.9 secs Computing kpt #: 234 total cpu time spent up to now is 458.0 secs Computing kpt #: 235 total cpu time spent up to now is 460.0 secs Computing kpt #: 236 total cpu time spent up to now is 462.1 secs Computing kpt #: 237 total cpu time spent up to now is 464.2 secs Computing kpt #: 238 total cpu time spent up to now is 466.3 secs Computing kpt #: 239 total cpu time spent up to now is 468.4 secs Computing kpt #: 240 total cpu time spent up to now is 470.5 secs Computing kpt #: 241 total cpu time spent up to now is 472.5 secs Computing kpt #: 242 total cpu time spent up to now is 474.6 secs Computing kpt #: 243 total cpu time spent up to now is 476.7 secs Computing kpt #: 244 total cpu time spent up to now is 478.8 secs Computing kpt #: 245 total cpu time spent up to now is 480.9 secs Computing kpt #: 246 total cpu time spent up to now is 483.0 secs Computing kpt #: 247 total cpu time spent up to now is 485.1 secs Computing kpt #: 248 total cpu time spent up to now is 487.2 secs Computing kpt #: 249 total cpu time spent up to now is 489.3 secs Computing kpt #: 250 total cpu time spent up to now is 491.5 secs Computing kpt #: 251 total cpu time spent up to now is 493.6 secs Computing kpt #: 252 total cpu time spent up to now is 495.7 secs Computing kpt #: 253 total cpu time spent up to now is 497.8 secs Computing kpt #: 254 total cpu time spent up to now is 500.1 secs Computing kpt #: 255 total cpu time spent up to now is 502.3 secs Computing kpt #: 256 total cpu time spent up to now is 504.5 secs Computing kpt #: 257 total cpu time spent up to now is 506.8 secs Computing kpt #: 258 total cpu time spent up to now is 509.0 secs Computing kpt #: 259 total cpu time spent up to now is 511.3 secs Computing kpt #: 260 total cpu time spent up to now is 513.6 secs Computing kpt #: 261 total cpu time spent up to now is 515.9 secs Computing kpt #: 262 total cpu time spent up to now is 518.1 secs Computing kpt #: 263 total cpu time spent up to now is 520.3 secs Computing kpt #: 264 total cpu time spent up to now is 522.6 secs Computing kpt #: 265 total cpu time spent up to now is 525.0 secs Computing kpt #: 266 total cpu time spent up to now is 527.3 secs Computing kpt #: 267 total cpu time spent up to now is 529.5 secs Computing kpt #: 268 total cpu time spent up to now is 531.6 secs Computing kpt #: 269 total cpu time spent up to now is 533.7 secs Computing kpt #: 270 total cpu time spent up to now is 535.8 secs Computing kpt #: 271 total cpu time spent up to now is 537.9 secs Computing kpt #: 272 total cpu time spent up to now is 540.0 secs Computing kpt #: 273 total cpu time spent up to now is 542.1 secs Computing kpt #: 274 total cpu time spent up to now is 544.2 secs Computing kpt #: 275 total cpu time spent up to now is 546.3 secs Computing kpt #: 276 total cpu time spent up to now is 548.4 secs Computing kpt #: 277 total cpu time spent up to now is 550.5 secs Computing kpt #: 278 total cpu time spent up to now is 552.5 secs Computing kpt #: 279 total cpu time spent up to now is 554.6 secs Computing kpt #: 280 total cpu time spent up to now is 556.7 secs Computing kpt #: 281 total cpu time spent up to now is 558.8 secs Computing kpt #: 282 total cpu time spent up to now is 560.9 secs Computing kpt #: 283 total cpu time spent up to now is 562.9 secs Computing kpt #: 284 total cpu time spent up to now is 565.1 secs Computing kpt #: 285 total cpu time spent up to now is 567.1 secs ethr = 3.13E-08, avg # of iterations = 21.3 total cpu time spent up to now is 567.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 14699 PWs) bands (ev): -40.5064 -40.5064 -40.4831 -40.4831 -40.3480 -40.3480 -40.3471 -40.3471 -29.7591 -29.7591 -12.5692 -12.5692 -11.4706 -11.4706 -11.3832 -11.3832 -4.2993 -4.2993 -3.7208 -3.7208 1.6879 1.6879 4.2639 4.2639 4.2908 4.2908 4.6207 4.6207 4.8776 4.8776 4.9116 4.9116 6.6962 6.6962 7.8923 7.8923 7.9627 7.9627 7.9689 7.9689 k = 0.0116-0.0199-0.0121 ( 14719 PWs) bands (ev): -40.5064 -40.5064 -40.4831 -40.4831 -40.3480 -40.3480 -40.3471 -40.3471 -29.7591 -29.7591 -12.5693 -12.5693 -11.4706 -11.4706 -11.3834 -11.3834 -4.2986 -4.2986 -3.7208 -3.7208 1.6893 1.6893 4.2610 4.2610 4.2880 4.2880 4.6199 4.6199 4.8730 4.8730 4.9072 4.9072 6.6985 6.6985 7.8958 7.8958 7.9643 7.9643 7.9720 7.9720 k = 0.0233-0.0398-0.0241 ( 14723 PWs) bands (ev): -40.5064 -40.5064 -40.4831 -40.4831 -40.3480 -40.3480 -40.3472 -40.3472 -29.7590 -29.7590 -12.5695 -12.5695 -11.4706 -11.4706 -11.3839 -11.3839 -4.2964 -4.2964 -3.7205 -3.7205 1.6936 1.6936 4.2517 4.2517 4.2804 4.2804 4.6174 4.6174 4.8575 4.8575 4.8957 4.8957 6.7050 6.7050 7.9035 7.9035 7.9687 7.9687 7.9844 7.9844 k = 0.0349-0.0597-0.0362 ( 14728 PWs) bands (ev): -40.5063 -40.5063 -40.4831 -40.4831 -40.3480 -40.3480 -40.3472 -40.3472 -29.7589 -29.7589 -12.5698 -12.5698 -11.4707 -11.4707 -11.3848 -11.3848 -4.2929 -4.2929 -3.7200 -3.7200 1.7007 1.7007 4.2343 4.2343 4.2699 4.2699 4.6132 4.6132 4.8286 4.8286 4.8808 4.8808 6.7155 6.7155 7.9064 7.9064 7.9842 7.9842 8.0063 8.0063 k = 0.0465-0.0796-0.0482 ( 14729 PWs) bands (ev): -40.5062 -40.5062 -40.4831 -40.4831 -40.3480 -40.3480 -40.3472 -40.3472 -29.7589 -29.7589 -12.5702 -12.5702 -11.4709 -11.4709 -11.3859 -11.3859 -4.2880 -4.2880 -3.7193 -3.7193 1.7106 1.7106 4.2083 4.2083 4.2576 4.2576 4.6069 4.6069 4.7865 4.7865 4.8638 4.8638 6.7291 6.7291 7.8986 7.8986 8.0166 8.0166 8.0369 8.0369 k = 0.0581-0.0995-0.0603 ( 14724 PWs) bands (ev): -40.5062 -40.5062 -40.4832 -40.4832 -40.3480 -40.3480 -40.3472 -40.3472 -29.7587 -29.7587 -12.5708 -12.5708 -11.4710 -11.4710 -11.3874 -11.3874 -4.2817 -4.2817 -3.7185 -3.7185 1.7233 1.7233 4.1745 4.1745 4.2433 4.2433 4.5979 4.5979 4.7339 4.7339 4.8443 4.8443 6.7454 6.7454 7.8825 7.8825 8.0628 8.0628 8.0758 8.0758 k = 0.0698-0.1195-0.0723 ( 14736 PWs) bands (ev): -40.5060 -40.5060 -40.4832 -40.4832 -40.3481 -40.3481 -40.3473 -40.3473 -29.7586 -29.7586 -12.5715 -12.5715 -11.4713 -11.4713 -11.3893 -11.3893 -4.2741 -4.2741 -3.7174 -3.7174 1.7387 1.7387 4.1337 4.1337 4.2267 4.2267 4.5844 4.5844 4.6745 4.6745 4.8223 4.8223 6.7634 6.7634 7.8609 7.8609 8.1162 8.1162 8.1253 8.1253 k = 0.0814-0.1394-0.0844 ( 14728 PWs) bands (ev): -40.5059 -40.5059 -40.4832 -40.4832 -40.3481 -40.3481 -40.3473 -40.3473 -29.7584 -29.7584 -12.5723 -12.5723 -11.4716 -11.4716 -11.3913 -11.3913 -4.2652 -4.2652 -3.7161 -3.7161 1.7568 1.7568 4.0870 4.0870 4.2077 4.2077 4.5577 4.5577 4.6186 4.6186 4.7979 4.7979 6.7827 6.7827 7.8355 7.8355 8.1704 8.1704 8.1890 8.1890 k = 0.0930-0.1593-0.0964 ( 14730 PWs) bands (ev): -40.5057 -40.5057 -40.4833 -40.4833 -40.3482 -40.3482 -40.3473 -40.3473 -29.7582 -29.7582 -12.5732 -12.5732 -11.4719 -11.4719 -11.3937 -11.3937 -4.2550 -4.2550 -3.7147 -3.7147 1.7776 1.7776 4.0350 4.0350 4.1863 4.1863 4.5001 4.5001 4.5855 4.5855 4.7715 4.7715 6.8027 6.8027 7.8074 7.8074 8.2285 8.2285 8.2604 8.2604 k = 0.1047-0.1792-0.1085 ( 14736 PWs) bands (ev): -40.5056 -40.5056 -40.4834 -40.4834 -40.3482 -40.3482 -40.3474 -40.3474 -29.7580 -29.7580 -12.5743 -12.5743 -11.4723 -11.4723 -11.3963 -11.3963 -4.2436 -4.2436 -3.7131 -3.7131 1.8010 1.8010 3.9786 3.9786 4.1625 4.1625 4.4226 4.4226 4.5653 4.5653 4.7434 4.7434 6.8227 6.8227 7.7776 7.7776 8.2914 8.2914 8.3362 8.3362 k = 0.1163-0.1991-0.1206 ( 14734 PWs) bands (ev): -40.5054 -40.5054 -40.4834 -40.4834 -40.3483 -40.3483 -40.3474 -40.3474 -29.7578 -29.7578 -12.5754 -12.5754 -11.4728 -11.4728 -11.3991 -11.3991 -4.2310 -4.2310 -3.7112 -3.7112 1.8268 1.8268 3.9184 3.9184 4.1364 4.1364 4.3375 4.3375 4.5470 4.5470 4.7142 4.7142 6.8423 6.8423 7.7472 7.7472 8.3583 8.3583 8.4134 8.4134 k = 0.1279-0.2190-0.1326 ( 14730 PWs) bands (ev): -40.5052 -40.5052 -40.4835 -40.4835 -40.3483 -40.3483 -40.3475 -40.3475 -29.7575 -29.7575 -12.5767 -12.5767 -11.4734 -11.4734 -11.4020 -11.4020 -4.2173 -4.2173 -3.7092 -3.7092 1.8550 1.8550 3.8551 3.8551 4.1081 4.1081 4.2483 4.2483 4.5283 4.5283 4.6841 4.6841 6.8607 6.8607 7.7173 7.7173 8.4283 8.4283 8.4885 8.4885 k = 0.1395-0.2389-0.1447 ( 14718 PWs) bands (ev): -40.5049 -40.5049 -40.4836 -40.4836 -40.3484 -40.3484 -40.3476 -40.3476 -29.7572 -29.7572 -12.5780 -12.5780 -11.4741 -11.4741 -11.4051 -11.4051 -4.2025 -4.2025 -3.7069 -3.7069 1.8855 1.8855 3.7893 3.7893 4.0777 4.0777 4.1567 4.1567 4.5085 4.5085 4.6535 4.6535 6.8773 6.8773 7.6893 7.6893 8.5005 8.5005 8.5563 8.5563 k = 0.1512-0.2588-0.1567 ( 14714 PWs) bands (ev): -40.5047 -40.5047 -40.4836 -40.4836 -40.3485 -40.3485 -40.3476 -40.3476 -29.7569 -29.7569 -12.5795 -12.5795 -11.4749 -11.4749 -11.4083 -11.4083 -4.1868 -4.1868 -3.7045 -3.7045 1.9183 1.9183 3.7216 3.7216 4.0431 4.0431 4.0658 4.0658 4.4876 4.4876 4.6226 4.6226 6.8913 6.8913 7.6645 7.6645 8.5737 8.5737 8.6091 8.6091 k = 0.1628-0.2787-0.1688 ( 14722 PWs) bands (ev): -40.5044 -40.5044 -40.4837 -40.4837 -40.3486 -40.3486 -40.3477 -40.3477 -29.7566 -29.7566 -12.5810 -12.5810 -11.4758 -11.4758 -11.4115 -11.4115 -4.1701 -4.1701 -3.7018 -3.7018 1.9530 1.9530 3.6525 3.6525 3.9657 3.9657 4.0151 4.0151 4.4656 4.4656 4.5918 4.5918 6.9018 6.9018 7.6441 7.6441 8.6331 8.6331 8.6533 8.6533 k = 0.1744-0.2986-0.1808 ( 14734 PWs) bands (ev): -40.5041 -40.5041 -40.4838 -40.4838 -40.3486 -40.3486 -40.3478 -40.3478 -29.7563 -29.7563 -12.5827 -12.5827 -11.4769 -11.4769 -11.4147 -11.4147 -4.1526 -4.1526 -3.6989 -3.6989 1.9897 1.9897 3.5825 3.5825 3.8714 3.8714 3.9799 3.9799 4.4426 4.4426 4.5613 4.5613 6.9079 6.9079 7.6292 7.6292 8.6431 8.6431 8.7249 8.7249 k = 0.1860-0.3185-0.1929 ( 14730 PWs) bands (ev): -40.5039 -40.5039 -40.4839 -40.4839 -40.3487 -40.3487 -40.3479 -40.3479 -29.7560 -29.7560 -12.5844 -12.5844 -11.4782 -11.4782 -11.4179 -11.4179 -4.1344 -4.1344 -3.6959 -3.6959 2.0281 2.0281 3.5120 3.5120 3.7766 3.7766 3.9442 3.9442 4.4186 4.4186 4.5310 4.5310 6.9091 6.9091 7.6206 7.6206 8.6371 8.6371 8.7979 8.7979 k = 0.1977-0.3384-0.2049 ( 14724 PWs) bands (ev): -40.5035 -40.5035 -40.4841 -40.4841 -40.3488 -40.3488 -40.3479 -40.3479 -29.7556 -29.7556 -12.5861 -12.5861 -11.4797 -11.4797 -11.4210 -11.4210 -4.1155 -4.1155 -3.6925 -3.6925 2.0681 2.0681 3.4416 3.4416 3.6824 3.6824 3.9080 3.9080 4.3938 4.3938 4.5013 4.5013 6.9051 6.9051 7.6187 7.6187 8.6233 8.6233 8.8694 8.8694 k = 0.2093-0.3584-0.2170 ( 14726 PWs) bands (ev): -40.5032 -40.5032 -40.4842 -40.4842 -40.3489 -40.3489 -40.3480 -40.3480 -29.7552 -29.7552 -12.5880 -12.5880 -11.4814 -11.4814 -11.4239 -11.4239 -4.0961 -4.0961 -3.6890 -3.6890 2.1094 2.1094 3.3714 3.3714 3.5894 3.5894 3.8714 3.8714 4.3682 4.3682 4.4721 4.4721 6.8961 6.8961 7.6232 7.6232 8.6054 8.6054 8.9385 8.9385 k = 0.2209-0.3783-0.2291 ( 14730 PWs) bands (ev): -40.5029 -40.5029 -40.4843 -40.4843 -40.3490 -40.3490 -40.3481 -40.3481 -29.7549 -29.7549 -12.5898 -12.5898 -11.4834 -11.4834 -11.4267 -11.4267 -4.0762 -4.0762 -3.6852 -3.6852 2.1518 2.1518 3.3018 3.3018 3.4982 3.4982 3.8346 3.8346 4.3420 4.3420 4.4436 4.4436 6.8826 6.8826 7.6332 7.6332 8.5852 8.5852 9.0045 9.0045 k = 0.2326-0.3982-0.2411 ( 14749 PWs) bands (ev): -40.5026 -40.5026 -40.4844 -40.4844 -40.3491 -40.3491 -40.3482 -40.3482 -29.7545 -29.7545 -12.5918 -12.5918 -11.4856 -11.4856 -11.4292 -11.4292 -4.0561 -4.0561 -3.6812 -3.6812 2.1949 2.1949 3.2330 3.2330 3.4092 3.4092 3.7978 3.7978 4.3152 4.3152 4.4159 4.4159 6.8654 6.8654 7.6475 7.6475 8.5641 8.5641 9.0664 9.0664 k = 0.2442-0.4181-0.2532 ( 14749 PWs) bands (ev): -40.5022 -40.5022 -40.4846 -40.4846 -40.3492 -40.3492 -40.3483 -40.3483 -29.7541 -29.7541 -12.5937 -12.5937 -11.4880 -11.4880 -11.4315 -11.4315 -4.0357 -4.0357 -3.6769 -3.6769 2.2384 2.2384 3.1651 3.1651 3.3235 3.3235 3.7614 3.7614 4.2880 4.2880 4.3889 4.3889 6.8456 6.8456 7.6645 7.6645 8.5433 8.5433 9.1232 9.1232 k = 0.2558-0.4380-0.2652 ( 14751 PWs) bands (ev): -40.5018 -40.5018 -40.4847 -40.4847 -40.3493 -40.3493 -40.3484 -40.3484 -29.7538 -29.7538 -12.5957 -12.5957 -11.4907 -11.4907 -11.4335 -11.4335 -4.0153 -4.0153 -3.6724 -3.6724 2.2818 2.2818 3.0978 3.0978 3.2418 3.2418 3.7254 3.7254 4.2603 4.2603 4.3627 4.3627 6.8239 6.8239 7.6822 7.6822 8.5241 8.5241 9.1739 9.1739 k = 0.2674-0.4579-0.2773 ( 14750 PWs) bands (ev): -40.5015 -40.5015 -40.4849 -40.4849 -40.3494 -40.3494 -40.3485 -40.3485 -29.7534 -29.7534 -12.5977 -12.5977 -11.4936 -11.4936 -11.4353 -11.4353 -3.9949 -3.9949 -3.6676 -3.6676 2.3243 2.3243 3.0309 3.0309 3.1655 3.1655 3.6901 3.6901 4.2323 4.2323 4.3375 4.3375 6.8013 6.8013 7.6989 7.6989 8.5077 8.5077 9.2173 9.2173 k = 0.2791-0.4778-0.2893 ( 14750 PWs) bands (ev): -40.5011 -40.5011 -40.4851 -40.4851 -40.3495 -40.3495 -40.3485 -40.3485 -29.7530 -29.7530 -12.5997 -12.5997 -11.4966 -11.4966 -11.4369 -11.4369 -3.9748 -3.9748 -3.6625 -3.6625 2.3652 2.3652 2.9639 2.9639 3.0964 3.0964 3.6556 3.6556 4.2041 4.2041 4.3132 4.3132 6.7785 6.7785 7.7126 7.7126 8.4956 8.4956 9.2524 9.2524 k = 0.2907-0.4977-0.3014 ( 14748 PWs) bands (ev): -40.5007 -40.5007 -40.4852 -40.4852 -40.3496 -40.3496 -40.3486 -40.3486 -29.7526 -29.7526 -12.6017 -12.6017 -11.4998 -11.4998 -11.4382 -11.4382 -3.9551 -3.9551 -3.6571 -3.6571 2.4031 2.4031 2.8964 2.8964 3.0362 3.0362 3.6221 3.6221 4.1757 4.1757 4.2898 4.2898 6.7560 6.7560 7.7218 7.7218 8.4890 8.4890 9.2789 9.2789 k = 0.3023-0.5176-0.3135 ( 14749 PWs) bands (ev): -40.5003 -40.5003 -40.4854 -40.4854 -40.3496 -40.3496 -40.3487 -40.3487 -29.7523 -29.7523 -12.6036 -12.6036 -11.5030 -11.5030 -11.4393 -11.4393 -3.9358 -3.9358 -3.6514 -3.6514 2.4363 2.4363 2.8286 2.8286 2.9868 2.9868 3.5898 3.5898 4.1472 4.1472 4.2675 4.2675 6.7343 6.7343 7.7251 7.7251 8.4889 8.4889 9.2970 9.2970 k = 0.3140-0.5375-0.3255 ( 14751 PWs) bands (ev): -40.5000 -40.5000 -40.4856 -40.4856 -40.3497 -40.3497 -40.3488 -40.3488 -29.7519 -29.7519 -12.6056 -12.6056 -11.5063 -11.5063 -11.4402 -11.4402 -3.9173 -3.9173 -3.6453 -3.6453 2.4626 2.4626 2.7611 2.7611 2.9498 2.9498 3.5588 3.5588 4.1187 4.1187 4.2463 4.2463 6.7137 6.7137 7.7220 7.7220 8.4956 8.4956 9.3075 9.3075 k = 0.3256-0.5574-0.3376 ( 14756 PWs) bands (ev): -40.4996 -40.4996 -40.4858 -40.4858 -40.3498 -40.3498 -40.3489 -40.3489 -29.7516 -29.7516 -12.6074 -12.6074 -11.5096 -11.5096 -11.4410 -11.4410 -3.8995 -3.8995 -3.6390 -3.6390 2.4795 2.4795 2.6948 2.6948 2.9270 2.9270 3.5292 3.5292 4.0901 4.0901 4.2262 4.2262 6.6945 6.6945 7.7125 7.7125 8.5088 8.5088 9.3118 9.3118 k = 0.3372-0.5773-0.3496 ( 14754 PWs) bands (ev): -40.4992 -40.4992 -40.4860 -40.4860 -40.3499 -40.3499 -40.3489 -40.3489 -29.7513 -29.7513 -12.6093 -12.6093 -11.5129 -11.5129 -11.4416 -11.4416 -3.8827 -3.8827 -3.6323 -3.6323 2.4854 2.4854 2.6305 2.6305 2.9192 2.9192 3.5011 3.5011 4.0616 4.0616 4.2072 4.2072 6.6769 6.6769 7.6973 7.6973 8.5276 8.5276 9.3111 9.3111 k = 0.3488-0.5973-0.3617 ( 14761 PWs) bands (ev): -40.4988 -40.4988 -40.4862 -40.4862 -40.3500 -40.3500 -40.3490 -40.3490 -29.7510 -29.7510 -12.6110 -12.6110 -11.5161 -11.5161 -11.4421 -11.4421 -3.8669 -3.8669 -3.6254 -3.6254 2.4805 2.4805 2.5689 2.5689 2.9258 2.9258 3.4745 3.4745 4.0333 4.0333 4.1894 4.1894 6.6609 6.6609 7.6773 7.6773 8.5508 8.5508 9.3066 9.3066 k = 0.3605-0.6172-0.3737 ( 14763 PWs) bands (ev): -40.4985 -40.4985 -40.4864 -40.4864 -40.3501 -40.3501 -40.3491 -40.3491 -29.7507 -29.7507 -12.6127 -12.6127 -11.5191 -11.5191 -11.4425 -11.4425 -3.8523 -3.8523 -3.6183 -3.6183 2.4668 2.4668 2.5106 2.5106 2.9440 2.9440 3.4497 3.4497 4.0052 4.0052 4.1728 4.1728 6.6466 6.6466 7.6539 7.6539 8.5769 8.5769 9.2995 9.2995 k = 0.3721-0.6371-0.3858 ( 14764 PWs) bands (ev): -40.4981 -40.4981 -40.4866 -40.4866 -40.3501 -40.3501 -40.3491 -40.3491 -29.7504 -29.7504 -12.6143 -12.6143 -11.5221 -11.5221 -11.4429 -11.4429 -3.8389 -3.8389 -3.6110 -3.6110 2.4461 2.4461 2.4573 2.4573 2.9704 2.9704 3.4266 3.4266 3.9774 3.9774 4.1574 4.1574 6.6340 6.6340 7.6283 7.6283 8.6046 8.6046 9.2907 9.2907 k = 0.3837-0.6570-0.3978 ( 14768 PWs) bands (ev): -40.4977 -40.4977 -40.4868 -40.4868 -40.3502 -40.3502 -40.3492 -40.3492 -29.7501 -29.7501 -12.6158 -12.6158 -11.5248 -11.5248 -11.4431 -11.4431 -3.8268 -3.8268 -3.6037 -3.6037 2.4035 2.4035 2.4267 2.4267 3.0021 3.0021 3.4054 3.4054 3.9501 3.9501 4.1433 4.1433 6.6232 6.6232 7.6015 7.6015 8.6327 8.6327 9.2809 9.2809 k = 0.3953-0.6769-0.4099 ( 14777 PWs) bands (ev): -40.4974 -40.4974 -40.4870 -40.4870 -40.3503 -40.3503 -40.3492 -40.3492 -29.7499 -29.7499 -12.6172 -12.6172 -11.5274 -11.5274 -11.4433 -11.4433 -3.8160 -3.8160 -3.5964 -3.5964 2.3570 2.3570 2.4032 2.4032 3.0365 3.0365 3.3860 3.3860 3.9233 3.9233 4.1304 4.1304 6.6139 6.6139 7.5746 7.5746 8.6601 8.6601 9.2707 9.2707 k = 0.4070-0.6968-0.4220 ( 14773 PWs) bands (ev): -40.4971 -40.4971 -40.4872 -40.4872 -40.3503 -40.3503 -40.3493 -40.3493 -29.7497 -29.7497 -12.6184 -12.6184 -11.5297 -11.5297 -11.4435 -11.4435 -3.8065 -3.8065 -3.5893 -3.5893 2.3147 2.3147 2.3805 2.3805 3.0719 3.0719 3.3686 3.3686 3.8972 3.8972 4.1189 4.1189 6.6061 6.6061 7.5484 7.5484 8.6860 8.6860 9.2607 9.2607 k = 0.4186-0.7167-0.4340 ( 14763 PWs) bands (ev): -40.4968 -40.4968 -40.4874 -40.4874 -40.3504 -40.3504 -40.3493 -40.3493 -29.7495 -29.7495 -12.6196 -12.6196 -11.5318 -11.5318 -11.4436 -11.4436 -3.7982 -3.7982 -3.5826 -3.5826 2.2768 2.2768 2.3593 2.3593 3.1069 3.1069 3.3531 3.3531 3.8722 3.8722 4.1086 4.1086 6.5998 6.5998 7.5237 7.5237 8.7099 8.7099 9.2511 9.2511 k = 0.4302-0.7366-0.4461 ( 14760 PWs) bands (ev): -40.4965 -40.4965 -40.4876 -40.4876 -40.3504 -40.3504 -40.3494 -40.3494 -29.7493 -29.7493 -12.6206 -12.6206 -11.5337 -11.5337 -11.4437 -11.4437 -3.7912 -3.7912 -3.5764 -3.5764 2.2436 2.2436 2.3401 2.3401 3.1404 3.1404 3.3397 3.3397 3.8484 3.8484 4.0997 4.0997 6.5947 6.5947 7.5011 7.5011 8.7313 8.7313 9.2422 9.2422 k = 0.4419-0.7565-0.4581 ( 14768 PWs) bands (ev): -40.4963 -40.4963 -40.4877 -40.4877 -40.3505 -40.3505 -40.3494 -40.3494 -29.7491 -29.7491 -12.6214 -12.6214 -11.5353 -11.5353 -11.4438 -11.4438 -3.7854 -3.7854 -3.5709 -3.5709 2.2154 2.2154 2.3233 2.3233 3.1714 3.1714 3.3283 3.3283 3.8265 3.8265 4.0922 4.0922 6.5907 6.5907 7.4810 7.4810 8.7498 8.7498 9.2344 9.2344 k = 0.4535-0.7764-0.4702 ( 14764 PWs) bands (ev): -40.4961 -40.4961 -40.4879 -40.4879 -40.3505 -40.3505 -40.3494 -40.3494 -29.7490 -29.7490 -12.6221 -12.6221 -11.5366 -11.5366 -11.4438 -11.4438 -3.7807 -3.7807 -3.5661 -3.5661 2.1920 2.1920 2.3093 2.3093 3.1987 3.1987 3.3191 3.3191 3.8070 3.8070 4.0860 4.0860 6.5877 6.5877 7.4640 7.4640 8.7653 8.7653 9.2278 9.2278 k = 0.4651-0.7963-0.4822 ( 14756 PWs) bands (ev): -40.4959 -40.4959 -40.4880 -40.4880 -40.3505 -40.3505 -40.3495 -40.3495 -29.7489 -29.7489 -12.6227 -12.6227 -11.5376 -11.5376 -11.4438 -11.4438 -3.7771 -3.7771 -3.5623 -3.5623 2.1738 2.1738 2.2982 2.2982 3.2214 3.2214 3.3121 3.3121 3.7905 3.7905 4.0811 4.0811 6.5856 6.5856 7.4504 7.4504 8.7775 8.7775 9.2225 9.2225 k = 0.4767-0.8162-0.4943 ( 14743 PWs) bands (ev): -40.4958 -40.4958 -40.4881 -40.4881 -40.3505 -40.3505 -40.3495 -40.3495 -29.7489 -29.7489 -12.6231 -12.6231 -11.5384 -11.5384 -11.4439 -11.4439 -3.7746 -3.7746 -3.5595 -3.5595 2.1607 2.1607 2.2902 2.2902 3.2385 3.2385 3.3072 3.3072 3.7778 3.7778 4.0777 4.0777 6.5841 6.5841 7.4405 7.4405 8.7863 8.7863 9.2187 9.2187 k = 0.4884-0.8362-0.5063 ( 14743 PWs) bands (ev): -40.4957 -40.4957 -40.4881 -40.4881 -40.3505 -40.3505 -40.3495 -40.3495 -29.7488 -29.7488 -12.6233 -12.6233 -11.5388 -11.5388 -11.4439 -11.4439 -3.7731 -3.7731 -3.5578 -3.5578 2.1528 2.1528 2.2853 2.2853 3.2490 3.2490 3.3045 3.3045 3.7699 3.7699 4.0756 4.0756 6.5833 6.5833 7.4345 7.4345 8.7916 8.7916 9.2163 9.2163 k = 0.5000-0.8561-0.5184 ( 14746 PWs) bands (ev): -40.4957 -40.4957 -40.4881 -40.4881 -40.3505 -40.3505 -40.3495 -40.3495 -29.7488 -29.7488 -12.6234 -12.6234 -11.5390 -11.5390 -11.4439 -11.4439 -3.7726 -3.7726 -3.5572 -3.5572 2.1502 2.1502 2.2837 2.2837 3.2525 3.2525 3.3036 3.3036 3.7671 3.7671 4.0749 4.0749 6.5830 6.5830 7.4325 7.4325 8.7934 8.7934 9.2155 9.2155 k = 0.5000-0.8561-0.5184 ( 14746 PWs) bands (ev): -40.4957 -40.4957 -40.4881 -40.4881 -40.3505 -40.3505 -40.3495 -40.3495 -29.7488 -29.7488 -12.6234 -12.6234 -11.5390 -11.5390 -11.4439 -11.4439 -3.7726 -3.7726 -3.5572 -3.5572 2.1502 2.1502 2.2837 2.2837 3.2525 3.2525 3.3036 3.3036 3.7671 3.7671 4.0749 4.0749 6.5830 6.5830 7.4325 7.4325 8.7934 8.7934 9.2155 9.2155 k = 0.5000-0.8426-0.5406 ( 14756 PWs) bands (ev): -40.4957 -40.4957 -40.4882 -40.4882 -40.3505 -40.3505 -40.3495 -40.3495 -29.7488 -29.7488 -12.6234 -12.6234 -11.5389 -11.5389 -11.4440 -11.4440 -3.7722 -3.7722 -3.5573 -3.5573 2.1508 2.1508 2.2841 2.2841 3.2532 3.2532 3.3015 3.3015 3.7673 3.7673 4.0703 4.0703 6.5886 6.5886 7.4286 7.4286 8.7882 8.7882 9.2310 9.2310 k = 0.5000-0.8291-0.5629 ( 14748 PWs) bands (ev): -40.4956 -40.4956 -40.4882 -40.4882 -40.3505 -40.3505 -40.3495 -40.3495 -29.7488 -29.7488 -12.6235 -12.6235 -11.5388 -11.5388 -11.4444 -11.4444 -3.7709 -3.7709 -3.5575 -3.5575 2.1525 2.1525 2.2853 2.2853 3.2553 3.2553 3.2954 3.2954 3.7676 3.7676 4.0568 4.0568 6.6054 6.6054 7.4169 7.4169 8.7759 8.7759 9.2742 9.2742 k = 0.5000-0.8157-0.5851 ( 14760 PWs) bands (ev): -40.4956 -40.4956 -40.4882 -40.4882 -40.3506 -40.3506 -40.3495 -40.3495 -29.7488 -29.7488 -12.6235 -12.6235 -11.5385 -11.5385 -11.4450 -11.4450 -3.7689 -3.7689 -3.5578 -3.5578 2.1553 2.1553 2.2873 2.2873 3.2581 3.2581 3.2858 3.2858 3.7682 3.7682 4.0347 4.0347 6.6327 6.6327 7.3974 7.3974 8.7629 8.7629 9.3384 9.3384 k = 0.5000-0.8022-0.6073 ( 14766 PWs) bands (ev): -40.4955 -40.4955 -40.4882 -40.4882 -40.3506 -40.3506 -40.3495 -40.3495 -29.7487 -29.7487 -12.6236 -12.6236 -11.5381 -11.5381 -11.4459 -11.4459 -3.7660 -3.7660 -3.5583 -3.5583 2.1592 2.1592 2.2900 2.2900 3.2577 3.2577 3.2770 3.2770 3.7689 3.7689 4.0049 4.0049 6.6701 6.6701 7.3702 7.3702 8.7547 8.7547 9.4174 9.4174 k = 0.5000-0.7887-0.6296 ( 14760 PWs) bands (ev): -40.4955 -40.4955 -40.4883 -40.4883 -40.3506 -40.3506 -40.3495 -40.3495 -29.7487 -29.7487 -12.6237 -12.6237 -11.5377 -11.5377 -11.4470 -11.4470 -3.7624 -3.7624 -3.5589 -3.5589 2.1641 2.1641 2.2935 2.2935 3.2451 3.2451 3.2781 3.2781 3.7698 3.7698 3.9684 3.9684 6.7165 6.7165 7.3355 7.3355 8.7545 8.7545 9.5069 9.5069 k = 0.5000-0.7753-0.6518 ( 14758 PWs) bands (ev): -40.4954 -40.4954 -40.4883 -40.4883 -40.3506 -40.3506 -40.3495 -40.3495 -29.7486 -29.7486 -12.6239 -12.6239 -11.5371 -11.5371 -11.4483 -11.4483 -3.7581 -3.7581 -3.5597 -3.5597 2.1699 2.1699 2.2978 2.2978 3.2243 3.2243 3.2854 3.2854 3.7708 3.7708 3.9264 3.9264 6.7710 6.7710 7.2940 7.2940 8.7637 8.7637 9.5660 9.5660 k = 0.5000-0.7618-0.6740 ( 14772 PWs) bands (ev): -40.4953 -40.4953 -40.4884 -40.4884 -40.3506 -40.3506 -40.3495 -40.3495 -29.7486 -29.7486 -12.6240 -12.6240 -11.5365 -11.5365 -11.4499 -11.4499 -3.7530 -3.7530 -3.5606 -3.5606 2.1766 2.1766 2.3028 2.3028 3.1996 3.1996 3.2949 3.2949 3.7717 3.7717 3.8801 3.8801 6.8327 6.8327 7.2465 7.2465 8.7822 8.7822 9.5772 9.5772 k = 0.5000-0.7483-0.6963 ( 14774 PWs) bands (ev): -40.4952 -40.4952 -40.4885 -40.4885 -40.3506 -40.3506 -40.3495 -40.3495 -29.7485 -29.7485 -12.6242 -12.6242 -11.5358 -11.5358 -11.4516 -11.4516 -3.7473 -3.7473 -3.5617 -3.5617 2.1840 2.1840 2.3085 2.3085 3.1719 3.1719 3.3057 3.3057 3.7718 3.7718 3.8317 3.8317 6.9006 6.9006 7.1939 7.1939 8.8091 8.8091 9.5872 9.5872 k = 0.5000-0.7349-0.7185 ( 14762 PWs) bands (ev): -40.4950 -40.4950 -40.4886 -40.4886 -40.3506 -40.3506 -40.3496 -40.3496 -29.7485 -29.7485 -12.6244 -12.6244 -11.5350 -11.5350 -11.4534 -11.4534 -3.7410 -3.7410 -3.5630 -3.5630 2.1921 2.1921 2.3150 2.3150 3.1418 3.1418 3.3173 3.3173 3.7633 3.7633 3.7900 3.7900 6.9738 6.9738 7.1375 7.1375 8.8427 8.8427 9.5961 9.5961 k = 0.5000-0.7214-0.7407 ( 14762 PWs) bands (ev): -40.4949 -40.4949 -40.4887 -40.4887 -40.3507 -40.3507 -40.3496 -40.3496 -29.7484 -29.7484 -12.6247 -12.6247 -11.5342 -11.5342 -11.4554 -11.4554 -3.7341 -3.7341 -3.5645 -3.5645 2.2006 2.2006 2.3221 2.3221 3.1100 3.1100 3.3291 3.3291 3.7216 3.7216 3.7814 3.7814 7.0504 7.0504 7.0793 7.0793 8.8810 8.8810 9.6037 9.6037 k = 0.5000-0.7080-0.7630 ( 14770 PWs) bands (ev): -40.4947 -40.4947 -40.4888 -40.4888 -40.3507 -40.3507 -40.3496 -40.3496 -29.7483 -29.7483 -12.6249 -12.6249 -11.5333 -11.5333 -11.4575 -11.4575 -3.7266 -3.7266 -3.5662 -3.5662 2.2094 2.2094 2.3299 2.3299 3.0768 3.0768 3.3402 3.3402 3.6724 3.6724 3.7816 3.7816 7.0166 7.0166 7.1333 7.1333 8.9217 8.9217 9.6103 9.6103 k = 0.5000-0.6945-0.7852 ( 14776 PWs) bands (ev): -40.4946 -40.4946 -40.4889 -40.4889 -40.3507 -40.3507 -40.3496 -40.3496 -29.7482 -29.7482 -12.6252 -12.6252 -11.5324 -11.5324 -11.4596 -11.4596 -3.7188 -3.7188 -3.5681 -3.5681 2.2182 2.2182 2.3383 2.3383 3.0428 3.0428 3.3490 3.3490 3.6262 3.6262 3.7827 3.7827 6.9548 6.9548 7.2175 7.2175 8.9625 8.9625 9.6156 9.6156 k = 0.5000-0.6810-0.8075 ( 14796 PWs) bands (ev): -40.4944 -40.4944 -40.4891 -40.4891 -40.3507 -40.3507 -40.3496 -40.3496 -29.7482 -29.7482 -12.6254 -12.6254 -11.5315 -11.5315 -11.4618 -11.4618 -3.7106 -3.7106 -3.5703 -3.5703 2.2269 2.2269 2.3472 2.3472 3.0085 3.0085 3.3527 3.3527 3.5870 3.5870 3.7840 3.7840 6.8928 6.8928 7.3040 7.3040 9.0011 9.0011 9.6196 9.6196 k = 0.5000-0.6676-0.8297 ( 14790 PWs) bands (ev): -40.4942 -40.4942 -40.4892 -40.4892 -40.3508 -40.3508 -40.3496 -40.3496 -29.7481 -29.7481 -12.6257 -12.6257 -11.5306 -11.5306 -11.4640 -11.4640 -3.7021 -3.7021 -3.5726 -3.5726 2.2352 2.2352 2.3566 2.3566 2.9742 2.9742 3.3475 3.3475 3.5596 3.5596 3.7853 3.7853 6.8314 6.8314 7.3922 7.3922 9.0358 9.0358 9.6218 9.6218 k = 0.5000-0.6541-0.8519 ( 14794 PWs) bands (ev): -40.4940 -40.4940 -40.4894 -40.4894 -40.3508 -40.3508 -40.3497 -40.3497 -29.7480 -29.7480 -12.6260 -12.6260 -11.5296 -11.5296 -11.4662 -11.4662 -3.6933 -3.6933 -3.5753 -3.5753 2.2428 2.2428 2.3664 2.3664 2.9406 2.9406 3.3310 3.3310 3.5470 3.5470 3.7865 3.7865 6.7713 6.7713 7.4814 7.4814 9.0650 9.0650 9.6213 9.6213 k = 0.5000-0.6406-0.8742 ( 14782 PWs) bands (ev): -40.4937 -40.4937 -40.4896 -40.4896 -40.3508 -40.3508 -40.3497 -40.3497 -29.7479 -29.7479 -12.6262 -12.6262 -11.5287 -11.5287 -11.4682 -11.4682 -3.6845 -3.6845 -3.5782 -3.5782 2.2494 2.2494 2.3763 2.3763 2.9081 2.9081 3.3050 3.3050 3.5481 3.5481 3.7874 3.7874 6.7128 6.7128 7.5707 7.5707 9.0882 9.0882 9.6167 9.6167 k = 0.5000-0.6272-0.8964 ( 14788 PWs) bands (ev): -40.4935 -40.4935 -40.4898 -40.4898 -40.3508 -40.3508 -40.3497 -40.3497 -29.7478 -29.7478 -12.6265 -12.6265 -11.5279 -11.5279 -11.4702 -11.4702 -3.6756 -3.6756 -3.5814 -3.5814 2.2547 2.2547 2.3863 2.3863 2.8772 2.8772 3.2741 3.2741 3.5587 3.5587 3.7881 3.7881 6.6566 6.6566 7.6594 7.6594 9.1054 9.1054 9.6041 9.6041 k = 0.5000-0.6137-0.9186 ( 14784 PWs) bands (ev): -40.4933 -40.4933 -40.4900 -40.4900 -40.3509 -40.3509 -40.3497 -40.3497 -29.7478 -29.7478 -12.6268 -12.6268 -11.5271 -11.5271 -11.4720 -11.4720 -3.6667 -3.6667 -3.5849 -3.5849 2.2584 2.2584 2.3962 2.3962 2.8484 2.8484 3.2426 3.2426 3.5752 3.5752 3.7885 3.7885 6.6028 6.6028 7.7464 7.7464 9.1171 9.1171 9.5779 9.5779 k = 0.5000-0.6002-0.9409 ( 14788 PWs) bands (ev): -40.4930 -40.4930 -40.4902 -40.4902 -40.3509 -40.3509 -40.3497 -40.3497 -29.7477 -29.7477 -12.6270 -12.6270 -11.5265 -11.5265 -11.4736 -11.4736 -3.6580 -3.6580 -3.5886 -3.5886 2.2601 2.2601 2.4055 2.4055 2.8222 2.8222 3.2131 3.2131 3.5952 3.5952 3.7884 3.7884 6.5519 6.5519 7.8304 7.8304 9.1242 9.1242 9.5373 9.5373 k = 0.5000-0.5868-0.9631 ( 14790 PWs) bands (ev): -40.4928 -40.4928 -40.4904 -40.4904 -40.3509 -40.3509 -40.3497 -40.3497 -29.7477 -29.7477 -12.6272 -12.6272 -11.5259 -11.5259 -11.4750 -11.4750 -3.6495 -3.6495 -3.5927 -3.5927 2.2598 2.2598 2.4140 2.4140 2.7994 2.7994 3.1875 3.1875 3.6173 3.6173 3.7880 3.7880 6.5042 6.5042 7.9098 7.9098 9.1277 9.1277 9.4911 9.4911 k = 0.5000-0.5733-0.9853 ( 14794 PWs) bands (ev): -40.4925 -40.4925 -40.4906 -40.4906 -40.3509 -40.3509 -40.3497 -40.3497 -29.7476 -29.7476 -12.6274 -12.6274 -11.5255 -11.5255 -11.4761 -11.4761 -3.6414 -3.6414 -3.5971 -3.5971 2.2574 2.2574 2.4214 2.4214 2.7804 2.7804 3.1667 3.1667 3.6407 3.6407 3.7871 3.7871 6.4599 6.4599 7.9826 7.9826 9.1287 9.1287 9.4481 9.4481 k = 0.5000-0.5598-1.0076 ( 14798 PWs) bands (ev): -40.4923 -40.4923 -40.4909 -40.4909 -40.3509 -40.3509 -40.3497 -40.3497 -29.7476 -29.7476 -12.6275 -12.6275 -11.5251 -11.5251 -11.4770 -11.4770 -3.6338 -3.6338 -3.6017 -3.6017 2.2528 2.2528 2.4271 2.4271 2.7658 2.7658 3.1511 3.1511 3.6647 3.6647 3.7856 3.7856 6.4192 6.4192 8.0464 8.0464 9.1280 9.1280 9.4140 9.4140 k = 0.5000-0.5464-1.0298 ( 14798 PWs) bands (ev): -40.4920 -40.4920 -40.4911 -40.4911 -40.3509 -40.3509 -40.3497 -40.3497 -29.7475 -29.7475 -12.6276 -12.6276 -11.5250 -11.5250 -11.4775 -11.4775 -3.6269 -3.6269 -3.6065 -3.6065 2.2463 2.2463 2.4309 2.4309 2.7563 2.7563 3.1412 3.1412 3.6889 3.6889 3.7837 3.7837 6.3822 6.3822 8.0988 8.0988 9.1265 9.1265 9.3927 9.3927 k = 0.5000-0.5329-1.0520 ( 14806 PWs) bands (ev): -40.4917 -40.4917 -40.4914 -40.4914 -40.3509 -40.3509 -40.3497 -40.3497 -29.7475 -29.7475 -12.6277 -12.6277 -11.5249 -11.5249 -11.4778 -11.4778 -3.6214 -3.6214 -3.6109 -3.6109 2.2382 2.2382 2.4325 2.4325 2.7520 2.7520 3.1368 3.1368 3.7128 3.7128 3.7814 3.7814 6.3493 6.3493 8.1375 8.1375 9.1249 9.1249 9.3870 9.3870 k = 0.5000-0.5194-1.0743 ( 14804 PWs) bands (ev): -40.4917 -40.4917 -40.4914 -40.4914 -40.3509 -40.3509 -40.3497 -40.3497 -29.7475 -29.7475 -12.6277 -12.6277 -11.5249 -11.5249 -11.4778 -11.4778 -3.6211 -3.6211 -3.6111 -3.6111 2.2290 2.2290 2.4323 2.4323 2.7530 2.7530 3.1378 3.1378 3.7359 3.7359 3.7789 3.7789 6.3204 6.3204 8.1614 8.1614 9.1235 9.1235 9.3972 9.3972 k = 0.5000-0.5060-1.0965 ( 14802 PWs) bands (ev): -40.4920 -40.4920 -40.4911 -40.4911 -40.3509 -40.3509 -40.3497 -40.3497 -29.7475 -29.7475 -12.6276 -12.6276 -11.5249 -11.5249 -11.4776 -11.4776 -3.6259 -3.6259 -3.6073 -3.6073 2.2192 2.2192 2.4304 2.4304 2.7590 2.7590 3.1438 3.1438 3.7564 3.7564 3.7776 3.7776 6.2956 6.2956 8.1704 8.1704 9.1230 9.1230 9.4192 9.4192 k = 0.5000-0.4925-1.1187 ( 14802 PWs) bands (ev): -40.4923 -40.4923 -40.4908 -40.4908 -40.3509 -40.3509 -40.3497 -40.3497 -29.7476 -29.7476 -12.6275 -12.6275 -11.5250 -11.5250 -11.4771 -11.4771 -3.6321 -3.6321 -3.6034 -3.6034 2.2094 2.2094 2.4274 2.4274 2.7696 2.7696 3.1545 3.1545 3.7650 3.7650 3.7867 3.7867 6.2752 6.2752 8.1662 8.1662 9.1233 9.1233 9.4335 9.4335 k = 0.8166-0.4068-0.9549 ( 14802 PWs) bands (ev): -40.4923 -40.4923 -40.4908 -40.4908 -40.3509 -40.3509 -40.3497 -40.3497 -29.7476 -29.7476 -12.6275 -12.6275 -11.5250 -11.5250 -11.4771 -11.4771 -3.6321 -3.6321 -3.6034 -3.6034 2.2094 2.2094 2.4274 2.4274 2.7696 2.7696 3.1545 3.1545 3.7650 3.7650 3.7867 3.7867 6.2752 6.2752 8.1662 8.1662 9.1233 9.1233 9.4335 9.4335 k = 0.8099-0.3953-0.9328 ( 14790 PWs) bands (ev): -40.4926 -40.4926 -40.4906 -40.4906 -40.3509 -40.3509 -40.3497 -40.3497 -29.7476 -29.7476 -12.6273 -12.6273 -11.5250 -11.5250 -11.4764 -11.4764 -3.6388 -3.6388 -3.6002 -3.6002 2.2003 2.2003 2.4239 2.4239 2.7842 2.7842 3.1692 3.1692 3.7626 3.7626 3.8049 3.8049 6.2592 6.2592 8.1514 8.1514 9.1248 9.1248 9.4169 9.4169 k = 0.8032-0.3838-0.9107 ( 14790 PWs) bands (ev): -40.4929 -40.4929 -40.4903 -40.4903 -40.3509 -40.3509 -40.3497 -40.3497 -29.7477 -29.7477 -12.6270 -12.6270 -11.5251 -11.5251 -11.4756 -11.4756 -3.6458 -3.6458 -3.5980 -3.5980 2.1924 2.1924 2.4206 2.4206 2.8022 2.8022 3.1876 3.1876 3.7580 3.7580 3.8232 3.8232 6.2476 6.2476 8.1290 8.1290 9.1273 9.1273 9.3817 9.3817 k = 0.7964-0.3722-0.8887 ( 14810 PWs) bands (ev): -40.4933 -40.4933 -40.4900 -40.4900 -40.3509 -40.3509 -40.3497 -40.3497 -29.7478 -29.7478 -12.6267 -12.6267 -11.5250 -11.5250 -11.4746 -11.4746 -3.6533 -3.6533 -3.5968 -3.5968 2.1860 2.1860 2.4179 2.4179 2.8231 2.8231 3.2092 3.2092 3.7528 3.7528 3.8402 3.8402 6.2403 6.2403 8.1015 8.1015 9.1308 9.1308 9.3386 9.3386 k = 0.7897-0.3607-0.8666 ( 14818 PWs) bands (ev): -40.4936 -40.4936 -40.4897 -40.4897 -40.3508 -40.3508 -40.3497 -40.3497 -29.7479 -29.7479 -12.6262 -12.6262 -11.5248 -11.5248 -11.4735 -11.4735 -3.6610 -3.6610 -3.5967 -3.5967 2.1817 2.1817 2.4162 2.4162 2.8466 2.8466 3.2337 3.2337 3.7471 3.7471 3.8552 3.8552 6.2374 6.2374 8.0713 8.0713 9.1350 9.1350 9.2910 9.2910 k = 0.7830-0.3491-0.8446 ( 14820 PWs) bands (ev): -40.4940 -40.4940 -40.4894 -40.4894 -40.3508 -40.3508 -40.3497 -40.3497 -29.7480 -29.7480 -12.6256 -12.6256 -11.5245 -11.5245 -11.4723 -11.4723 -3.6691 -3.6691 -3.5978 -3.5978 2.1799 2.1799 2.4158 2.4158 2.8723 2.8723 3.2608 3.2608 3.7413 3.7413 3.8682 3.8682 6.2388 6.2388 8.0401 8.0401 9.1395 9.1395 9.2404 9.2404 k = 0.7762-0.3376-0.8225 ( 14802 PWs) bands (ev): -40.4943 -40.4943 -40.4891 -40.4891 -40.3508 -40.3508 -40.3496 -40.3496 -29.7481 -29.7481 -12.6250 -12.6250 -11.5241 -11.5241 -11.4710 -11.4710 -3.6775 -3.6775 -3.6000 -3.6000 2.1808 2.1808 2.4170 2.4170 2.9000 2.9000 3.2901 3.2901 3.7354 3.7354 3.8788 3.8788 6.2446 6.2446 8.0094 8.0094 9.1434 9.1434 9.1878 9.1878 k = 0.7695-0.3261-0.8004 ( 14798 PWs) bands (ev): -40.4947 -40.4947 -40.4888 -40.4888 -40.3507 -40.3507 -40.3496 -40.3496 -29.7483 -29.7483 -12.6242 -12.6242 -11.5234 -11.5234 -11.4697 -11.4697 -3.6862 -3.6862 -3.6035 -3.6035 2.1847 2.1847 2.4198 2.4198 2.9295 2.9295 3.3213 3.3213 3.7296 3.7296 3.8870 3.8870 6.2547 6.2547 7.9801 7.9801 9.1324 9.1324 9.1475 9.1475 k = 0.7628-0.3145-0.7784 ( 14798 PWs) bands (ev): -40.4950 -40.4950 -40.4886 -40.4886 -40.3507 -40.3507 -40.3496 -40.3496 -29.7484 -29.7484 -12.6234 -12.6234 -11.5226 -11.5226 -11.4683 -11.4683 -3.6951 -3.6951 -3.6082 -3.6082 2.1919 2.1919 2.4244 2.4244 2.9605 2.9605 3.3542 3.3542 3.7242 3.7242 3.8925 3.8925 6.2690 6.2690 7.9530 7.9530 9.0784 9.0784 9.1471 9.1471 k = 0.7560-0.3030-0.7563 ( 14776 PWs) bands (ev): -40.4954 -40.4954 -40.4883 -40.4883 -40.3506 -40.3506 -40.3495 -40.3495 -29.7486 -29.7486 -12.6224 -12.6224 -11.5216 -11.5216 -11.4669 -11.4669 -3.7042 -3.7042 -3.6141 -3.6141 2.2025 2.2025 2.4309 2.4309 2.9930 2.9930 3.3886 3.3886 3.7192 3.7192 3.8954 3.8954 6.2876 6.2876 7.9288 7.9288 9.0237 9.0237 9.1435 9.1435 k = 0.7493-0.2915-0.7343 ( 14768 PWs) bands (ev): -40.4958 -40.4958 -40.4880 -40.4880 -40.3506 -40.3506 -40.3495 -40.3495 -29.7488 -29.7488 -12.6213 -12.6213 -11.5205 -11.5205 -11.4654 -11.4654 -3.7136 -3.7136 -3.6212 -3.6212 2.2165 2.2165 2.4391 2.4391 3.0267 3.0267 3.4243 3.4243 3.7149 3.7149 3.8956 3.8956 6.3104 6.3104 7.9076 7.9076 8.9695 8.9695 9.1349 9.1349 k = 0.7425-0.2799-0.7122 ( 14764 PWs) bands (ev): -40.4962 -40.4962 -40.4877 -40.4877 -40.3505 -40.3505 -40.3494 -40.3494 -29.7491 -29.7491 -12.6201 -12.6201 -11.5191 -11.5191 -11.4639 -11.4639 -3.7232 -3.7232 -3.6296 -3.6296 2.2341 2.2341 2.4491 2.4491 3.0616 3.0616 3.4610 3.4610 3.7117 3.7117 3.8931 3.8931 6.3372 6.3372 7.8897 7.8897 8.9164 8.9164 9.1201 9.1201 k = 0.7358-0.2684-0.6901 ( 14764 PWs) bands (ev): -40.4966 -40.4966 -40.4875 -40.4875 -40.3504 -40.3504 -40.3494 -40.3494 -29.7493 -29.7493 -12.6189 -12.6189 -11.5175 -11.5175 -11.4624 -11.4624 -3.7329 -3.7329 -3.6391 -3.6391 2.2553 2.2553 2.4607 2.4607 3.0975 3.0975 3.4986 3.4986 3.7096 3.7096 3.8880 3.8880 6.3681 6.3681 7.8751 7.8751 8.8650 8.8650 9.0990 9.0990 k = 0.7291-0.2569-0.6681 ( 14772 PWs) bands (ev): -40.4970 -40.4970 -40.4872 -40.4872 -40.3504 -40.3504 -40.3493 -40.3493 -29.7496 -29.7496 -12.6175 -12.6175 -11.5158 -11.5158 -11.4609 -11.4609 -3.7428 -3.7428 -3.6497 -3.6497 2.2799 2.2799 2.4739 2.4739 3.1342 3.1342 3.5369 3.5369 3.7091 3.7091 3.8806 3.8806 6.4030 6.4030 7.8637 7.8637 8.8157 8.8157 9.0719 9.0719 k = 0.7223-0.2453-0.6460 ( 14782 PWs) bands (ev): -40.4974 -40.4974 -40.4870 -40.4870 -40.3503 -40.3503 -40.3492 -40.3492 -29.7499 -29.7499 -12.6160 -12.6160 -11.5139 -11.5139 -11.4593 -11.4593 -3.7528 -3.7528 -3.6614 -3.6614 2.3081 2.3081 2.4884 2.4884 3.1716 3.1716 3.5756 3.5756 3.7105 3.7105 3.8710 3.8710 6.4418 6.4418 7.8552 7.8552 8.7692 8.7692 9.0399 9.0399 k = 0.7156-0.2338-0.6240 ( 14786 PWs) bands (ev): -40.4978 -40.4978 -40.4868 -40.4868 -40.3502 -40.3502 -40.3492 -40.3492 -29.7501 -29.7501 -12.6145 -12.6145 -11.5118 -11.5118 -11.4578 -11.4578 -3.7628 -3.7628 -3.6741 -3.6741 2.3396 2.3396 2.5042 2.5042 3.2096 3.2096 3.6144 3.6144 3.7142 3.7142 3.8595 3.8595 6.4844 6.4844 7.8494 7.8494 8.7259 8.7259 9.0041 9.0041 k = 0.7089-0.2223-0.6019 ( 14786 PWs) bands (ev): -40.4982 -40.4982 -40.4865 -40.4865 -40.3501 -40.3501 -40.3491 -40.3491 -29.7505 -29.7505 -12.6128 -12.6128 -11.5096 -11.5096 -11.4561 -11.4561 -3.7730 -3.7730 -3.6878 -3.6878 2.3743 2.3743 2.5210 2.5210 3.2480 3.2480 3.6527 3.6527 3.7207 3.7207 3.8468 3.8468 6.5307 6.5307 7.8457 7.8457 8.6864 8.6864 8.9657 8.9657 k = 0.7021-0.2107-0.5798 ( 14782 PWs) bands (ev): -40.4986 -40.4986 -40.4863 -40.4863 -40.3500 -40.3500 -40.3490 -40.3490 -29.7508 -29.7508 -12.6111 -12.6111 -11.5073 -11.5073 -11.4544 -11.4544 -3.7832 -3.7832 -3.7023 -3.7023 2.4119 2.4119 2.5385 2.5385 3.2866 3.2866 3.6893 3.6893 3.7308 3.7308 3.8339 3.8339 6.5807 6.5807 7.8437 7.8437 8.6509 8.6509 8.9255 8.9255 k = 0.6954-0.1992-0.5578 ( 14786 PWs) bands (ev): -40.4990 -40.4990 -40.4861 -40.4861 -40.3500 -40.3500 -40.3490 -40.3490 -29.7511 -29.7511 -12.6093 -12.6093 -11.5049 -11.5049 -11.4527 -11.4527 -3.7934 -3.7934 -3.7176 -3.7176 2.4522 2.4522 2.5566 2.5566 3.3253 3.3253 3.7203 3.7203 3.7466 3.7466 3.8233 3.8233 6.6343 6.6343 7.8429 7.8429 8.6201 8.6201 8.8843 8.8843 k = 0.6886-0.1877-0.5357 ( 14790 PWs) bands (ev): -40.4995 -40.4995 -40.4859 -40.4859 -40.3499 -40.3499 -40.3489 -40.3489 -29.7515 -29.7515 -12.6075 -12.6075 -11.5024 -11.5024 -11.4509 -11.4509 -3.8035 -3.8035 -3.7336 -3.7336 2.4949 2.4949 2.5749 2.5749 3.3639 3.3639 3.7406 3.7406 3.7662 3.7662 3.8224 3.8224 6.6915 6.6915 7.8427 7.8427 8.5943 8.5943 8.8427 8.8427 k = 0.6819-0.1761-0.5137 ( 14782 PWs) bands (ev): -40.4999 -40.4999 -40.4857 -40.4857 -40.3498 -40.3498 -40.3488 -40.3488 -29.7518 -29.7518 -12.6056 -12.6056 -11.4999 -11.4999 -11.4490 -11.4490 -3.8136 -3.8136 -3.7502 -3.7502 2.5393 2.5393 2.5932 2.5932 3.4025 3.4025 3.7484 3.7484 3.7813 3.7813 3.8423 3.8423 6.7520 6.7520 7.8425 7.8425 8.5738 8.5738 8.8009 8.8009 k = 0.6752-0.1646-0.4916 ( 14792 PWs) bands (ev): -40.5003 -40.5003 -40.4855 -40.4855 -40.3497 -40.3497 -40.3487 -40.3487 -29.7522 -29.7522 -12.6037 -12.6037 -11.4973 -11.4973 -11.4469 -11.4469 -3.8237 -3.8237 -3.7673 -3.7673 2.5850 2.5850 2.6113 2.6113 3.4409 3.4409 3.7425 3.7425 3.8012 3.8012 3.8753 3.8753 6.8160 6.8160 7.8422 7.8422 8.5586 8.5586 8.7593 8.7593 k = 0.6684-0.1531-0.4695 ( 14780 PWs) bands (ev): -40.5007 -40.5007 -40.4853 -40.4853 -40.3496 -40.3496 -40.3486 -40.3486 -29.7526 -29.7526 -12.6017 -12.6017 -11.4948 -11.4948 -11.4448 -11.4448 -3.8337 -3.8337 -3.7848 -3.7848 2.6261 2.6261 2.6341 2.6341 3.4794 3.4794 3.7316 3.7316 3.8273 3.8273 3.9121 3.9121 6.8832 6.8832 7.8412 7.8412 8.5487 8.5487 8.7181 8.7181 k = 0.6617-0.1415-0.4475 ( 14786 PWs) bands (ev): -40.5010 -40.5010 -40.4851 -40.4851 -40.3495 -40.3495 -40.3486 -40.3486 -29.7529 -29.7529 -12.5998 -12.5998 -11.4924 -11.4924 -11.4425 -11.4425 -3.8435 -3.8435 -3.8026 -3.8026 2.6442 2.6442 2.6789 2.6789 3.5180 3.5180 3.7210 3.7210 3.8579 3.8579 3.9498 3.9498 6.9536 6.9536 7.8396 7.8396 8.5439 8.5439 8.6774 8.6774 k = 0.6550-0.1300-0.4254 ( 14778 PWs) bands (ev): -40.5014 -40.5014 -40.4849 -40.4849 -40.3494 -40.3494 -40.3485 -40.3485 -29.7533 -29.7533 -12.5978 -12.5978 -11.4900 -11.4900 -11.4400 -11.4400 -3.8533 -3.8533 -3.8206 -3.8206 2.6597 2.6597 2.7242 2.7242 3.5572 3.5572 3.7130 3.7130 3.8922 3.8922 3.9875 3.9875 7.0271 7.0271 7.8375 7.8375 8.5438 8.5438 8.6374 8.6374 k = 0.6482-0.1184-0.4034 ( 14772 PWs) bands (ev): -40.5018 -40.5018 -40.4848 -40.4848 -40.3493 -40.3493 -40.3484 -40.3484 -29.7537 -29.7537 -12.5958 -12.5958 -11.4878 -11.4878 -11.4374 -11.4374 -3.8630 -3.8630 -3.8385 -3.8385 2.6739 2.6739 2.7674 2.7674 3.5971 3.5971 3.7091 3.7091 3.9297 3.9297 4.0248 4.0248 7.1036 7.1036 7.8349 7.8349 8.5476 8.5476 8.5982 8.5982 k = 0.6415-0.1069-0.3813 ( 14756 PWs) bands (ev): -40.5022 -40.5022 -40.4846 -40.4846 -40.3492 -40.3492 -40.3483 -40.3483 -29.7541 -29.7541 -12.5938 -12.5938 -11.4857 -11.4857 -11.4347 -11.4347 -3.8728 -3.8728 -3.8561 -3.8561 2.6867 2.6867 2.8072 2.8072 3.6380 3.6380 3.7110 3.7110 3.9699 3.9699 4.0614 4.0614 7.1829 7.1829 7.8322 7.8322 8.5539 8.5539 8.5605 8.5605 k = 0.6347-0.0954-0.3592 ( 14756 PWs) bands (ev): -40.5025 -40.5025 -40.4845 -40.4845 -40.3491 -40.3491 -40.3482 -40.3482 -29.7545 -29.7545 -12.5918 -12.5918 -11.4838 -11.4838 -11.4317 -11.4317 -3.8835 -3.8835 -3.8724 -3.8724 2.6981 2.6981 2.8424 2.8424 3.6797 3.6797 3.7203 3.7203 4.0124 4.0124 4.0971 4.0971 7.2651 7.2651 7.8298 7.8298 8.5219 8.5219 8.5645 8.5645 k = 0.6280-0.0838-0.3372 ( 14752 PWs) bands (ev): -40.5029 -40.5029 -40.4843 -40.4843 -40.3490 -40.3490 -40.3481 -40.3481 -29.7548 -29.7548 -12.5899 -12.5899 -11.4820 -11.4820 -11.4286 -11.4286 -3.8970 -3.8970 -3.8855 -3.8855 2.7081 2.7081 2.8719 2.8719 3.7208 3.7208 3.7397 3.7397 4.0566 4.0566 4.1318 4.1318 7.3498 7.3498 7.8281 7.8281 8.4854 8.4854 8.5757 8.5757 k = 0.6213-0.0723-0.3151 ( 14766 PWs) bands (ev): -40.5032 -40.5032 -40.4842 -40.4842 -40.3489 -40.3489 -40.3480 -40.3480 -29.7552 -29.7552 -12.5880 -12.5880 -11.4804 -11.4804 -11.4254 -11.4254 -3.9132 -3.9132 -3.8953 -3.8953 2.7166 2.7166 2.8949 2.8949 3.7560 3.7560 3.7752 3.7752 4.1020 4.1020 4.1653 4.1653 7.4369 7.4369 7.8272 7.8272 8.4500 8.4500 8.5875 8.5875 k = 0.6145-0.0608-0.2931 ( 14770 PWs) bands (ev): -40.5035 -40.5035 -40.4841 -40.4841 -40.3488 -40.3488 -40.3480 -40.3480 -29.7556 -29.7556 -12.5862 -12.5862 -11.4790 -11.4790 -11.4221 -11.4221 -3.9299 -3.9299 -3.9039 -3.9039 2.7238 2.7238 2.9112 2.9112 3.7920 3.7920 3.8202 3.8202 4.1483 4.1483 4.1975 4.1975 7.5262 7.5262 7.8276 7.8276 8.4159 8.4159 8.5989 8.5989 k = 0.6078-0.0492-0.2710 ( 14774 PWs) bands (ev): -40.5038 -40.5038 -40.4840 -40.4840 -40.3487 -40.3487 -40.3479 -40.3479 -29.7559 -29.7559 -12.5844 -12.5844 -11.4777 -11.4777 -11.4188 -11.4188 -3.9465 -3.9465 -3.9119 -3.9119 2.7298 2.7298 2.9210 2.9210 3.8351 3.8351 3.8678 3.8678 4.1949 4.1949 4.2283 4.2283 7.6172 7.6172 7.8294 7.8294 8.3834 8.3834 8.6088 8.6088 k = 0.6011-0.0377-0.2489 ( 14774 PWs) bands (ev): -40.5041 -40.5041 -40.4839 -40.4839 -40.3486 -40.3486 -40.3478 -40.3478 -29.7563 -29.7563 -12.5827 -12.5827 -11.4766 -11.4766 -11.4154 -11.4154 -3.9626 -3.9626 -3.9194 -3.9194 2.7346 2.7346 2.9252 2.9252 3.8852 3.8852 3.9169 3.9169 4.2414 4.2414 4.2579 4.2579 7.7095 7.7095 7.8328 7.8328 8.3531 8.3531 8.6153 8.6153 k = 0.5943-0.0262-0.2269 ( 14770 PWs) bands (ev): -40.5044 -40.5044 -40.4838 -40.4838 -40.3486 -40.3486 -40.3477 -40.3477 -29.7566 -29.7566 -12.5811 -12.5811 -11.4756 -11.4756 -11.4120 -11.4120 -3.9781 -3.9781 -3.9265 -3.9265 2.7384 2.7384 2.9245 2.9245 3.9412 3.9412 3.9669 3.9669 4.2843 4.2843 4.2891 4.2891 7.8016 7.8016 7.8381 7.8381 8.3259 8.3259 8.6162 8.6162 k = 0.5876-0.0146-0.2048 ( 14770 PWs) bands (ev): -40.5047 -40.5047 -40.4837 -40.4837 -40.3485 -40.3485 -40.3477 -40.3477 -29.7569 -29.7569 -12.5795 -12.5795 -11.4747 -11.4747 -11.4086 -11.4086 -3.9930 -3.9930 -3.9331 -3.9331 2.7414 2.7414 2.9201 2.9201 4.0014 4.0014 4.0177 4.0177 4.3120 4.3120 4.3334 4.3334 7.8437 7.8437 7.8931 7.8931 8.3038 8.3038 8.6077 8.6077 k = 0.5808-0.0031-0.1828 ( 14782 PWs) bands (ev): -40.5049 -40.5049 -40.4836 -40.4836 -40.3484 -40.3484 -40.3476 -40.3476 -29.7572 -29.7572 -12.5781 -12.5781 -11.4739 -11.4739 -11.4054 -11.4054 -4.0070 -4.0070 -3.9393 -3.9393 2.7435 2.7435 2.9129 2.9129 4.0614 4.0614 4.0717 4.0717 4.3375 4.3375 4.3774 4.3774 7.8517 7.8517 7.9770 7.9770 8.2912 8.2912 8.5854 8.5854 k = 0.5741 0.0084-0.1607 ( 14780 PWs) bands (ev): -40.5052 -40.5052 -40.4835 -40.4835 -40.3483 -40.3483 -40.3475 -40.3475 -29.7575 -29.7575 -12.5767 -12.5767 -11.4733 -11.4733 -11.4022 -11.4022 -4.0203 -4.0203 -3.9451 -3.9451 2.7451 2.7451 2.9039 2.9039 4.1138 4.1138 4.1339 4.1339 4.3618 4.3618 4.4198 4.4198 7.8608 7.8608 8.0444 8.0444 8.2985 8.2985 8.5459 8.5459 k = 0.5674 0.0200-0.1386 ( 14772 PWs) bands (ev): -40.5054 -40.5054 -40.4834 -40.4834 -40.3483 -40.3483 -40.3475 -40.3475 -29.7578 -29.7578 -12.5754 -12.5754 -11.4727 -11.4727 -11.3992 -11.3992 -4.0326 -4.0326 -3.9504 -3.9504 2.7461 2.7461 2.8938 2.8938 4.1625 4.1625 4.1980 4.1980 4.3857 4.3857 4.4603 4.4603 7.8709 7.8709 8.0813 8.0813 8.3391 8.3391 8.4904 8.4904 k = 0.5606 0.0315-0.1166 ( 14768 PWs) bands (ev): -40.5056 -40.5056 -40.4834 -40.4834 -40.3482 -40.3482 -40.3474 -40.3474 -29.7580 -29.7580 -12.5743 -12.5743 -11.4723 -11.4723 -11.3964 -11.3964 -4.0439 -4.0439 -3.9552 -3.9552 2.7468 2.7468 2.8832 2.8832 4.2090 4.2090 4.2594 4.2594 4.4103 4.4103 4.4984 4.4984 7.8815 7.8815 8.0891 8.0891 8.4086 8.4086 8.4266 8.4266 k = 0.5539 0.0430-0.0945 ( 14758 PWs) bands (ev): -40.5057 -40.5057 -40.4833 -40.4833 -40.3482 -40.3482 -40.3474 -40.3474 -29.7582 -29.7582 -12.5732 -12.5732 -11.4719 -11.4719 -11.3938 -11.3938 -4.0542 -4.0542 -3.9595 -3.9595 2.7471 2.7471 2.8726 2.8726 4.2529 4.2529 4.3144 4.3144 4.4377 4.4377 4.5337 4.5337 7.8923 7.8923 8.0817 8.0817 8.3511 8.3511 8.5014 8.5014 k = 0.5472 0.0546-0.0725 ( 14756 PWs) bands (ev): -40.5059 -40.5059 -40.4833 -40.4833 -40.3481 -40.3481 -40.3473 -40.3473 -29.7584 -29.7584 -12.5723 -12.5723 -11.4715 -11.4715 -11.3914 -11.3914 -4.0634 -4.0634 -3.9634 -3.9634 2.7472 2.7472 2.8625 2.8625 4.2935 4.2935 4.3586 4.3586 4.4708 4.4708 4.5661 4.5661 7.9028 7.9028 8.0688 8.0688 8.2790 8.2790 8.5955 8.5955 k = 0.5404 0.0661-0.0504 ( 14748 PWs) bands (ev): -40.5060 -40.5060 -40.4832 -40.4832 -40.3481 -40.3481 -40.3473 -40.3473 -29.7586 -29.7586 -12.5715 -12.5715 -11.4712 -11.4712 -11.3893 -11.3893 -4.0714 -4.0714 -3.9668 -3.9668 2.7471 2.7471 2.8531 2.8531 4.3302 4.3302 4.3903 4.3903 4.5100 4.5100 4.5951 4.5951 7.9126 7.9126 8.0546 8.0546 8.2103 8.2103 8.6836 8.6836 k = 0.5337 0.0776-0.0284 ( 14734 PWs) bands (ev): -40.5061 -40.5061 -40.4832 -40.4832 -40.3480 -40.3480 -40.3473 -40.3473 -29.7587 -29.7587 -12.5708 -12.5708 -11.4710 -11.4710 -11.3875 -11.3875 -4.0783 -4.0783 -3.9696 -3.9696 2.7469 2.7469 2.8448 2.8448 4.3622 4.3622 4.4121 4.4121 4.5511 4.5511 4.6208 4.6208 7.9209 7.9209 8.0409 8.0409 8.1482 8.1482 8.7431 8.7431 k = 0.5269 0.0892-0.0063 ( 14740 PWs) bands (ev): -40.5062 -40.5062 -40.4831 -40.4831 -40.3480 -40.3480 -40.3472 -40.3472 -29.7589 -29.7589 -12.5702 -12.5702 -11.4708 -11.4708 -11.3860 -11.3860 -4.0840 -4.0840 -3.9720 -3.9720 2.7467 2.7467 2.8378 2.8378 4.3887 4.3887 4.4280 4.4280 4.5889 4.5889 4.6431 4.6431 7.9271 7.9271 8.0288 8.0288 8.0952 8.0952 8.7584 8.7584 k = 0.5202 0.1007 0.0158 ( 14752 PWs) bands (ev): -40.5063 -40.5063 -40.4831 -40.4831 -40.3480 -40.3480 -40.3472 -40.3472 -29.7589 -29.7589 -12.5698 -12.5698 -11.4707 -11.4707 -11.3848 -11.3848 -4.0885 -4.0885 -3.9738 -3.9738 2.7465 2.7465 2.8321 2.8321 4.4088 4.4088 4.4402 4.4402 4.6195 4.6195 4.6621 4.6621 7.9303 7.9303 8.0190 8.0190 8.0538 8.0538 8.7526 8.7526 k = 0.5135 0.1123 0.0378 ( 14746 PWs) bands (ev): -40.5064 -40.5064 -40.4831 -40.4831 -40.3480 -40.3480 -40.3472 -40.3472 -29.7590 -29.7590 -12.5695 -12.5695 -11.4706 -11.4706 -11.3839 -11.3839 -4.0917 -4.0917 -3.9752 -3.9752 2.7464 2.7464 2.8280 2.8280 4.4221 4.4221 4.4499 4.4499 4.6409 4.6409 4.6778 4.6778 7.9301 7.9301 8.0117 8.0117 8.0258 8.0258 8.7433 8.7433 k = 0.5067 0.1238 0.0599 ( 14746 PWs) bands (ev): -40.5064 -40.5064 -40.4831 -40.4831 -40.3479 -40.3479 -40.3472 -40.3472 -29.7591 -29.7591 -12.5693 -12.5693 -11.4705 -11.4705 -11.3834 -11.3834 -4.0936 -4.0936 -3.9759 -3.9759 2.7463 2.7463 2.8255 2.8255 4.4294 4.4294 4.4564 4.4564 4.6529 4.6529 4.6885 4.6885 7.9278 7.9278 8.0069 8.0069 8.0112 8.0112 8.7364 8.7364 k = 0.5000 0.1353 0.0819 ( 14736 PWs) bands (ev): -40.5064 -40.5064 -40.4831 -40.4831 -40.3479 -40.3479 -40.3472 -40.3472 -29.7591 -29.7591 -12.5692 -12.5692 -11.4705 -11.4705 -11.3832 -11.3832 -4.0942 -4.0942 -3.9762 -3.9762 2.7462 2.7462 2.8247 2.8247 4.4317 4.4317 4.4587 4.4587 4.6567 4.6567 4.6924 4.6924 7.9264 7.9264 8.0046 8.0046 8.0076 8.0076 8.7339 8.7339 k = 0.5000 0.1353 0.0819 ( 14736 PWs) bands (ev): -40.5064 -40.5064 -40.4831 -40.4831 -40.3479 -40.3479 -40.3472 -40.3472 -29.7591 -29.7591 -12.5692 -12.5692 -11.4705 -11.4705 -11.3832 -11.3832 -4.0942 -4.0942 -3.9762 -3.9762 2.7462 2.7462 2.8247 2.8247 4.4317 4.4317 4.4587 4.4587 4.6567 4.6567 4.6924 4.6924 7.9264 7.9264 8.0046 8.0046 8.0076 8.0076 8.7339 8.7339 k = 0.4762 0.1289 0.0780 ( 14757 PWs) bands (ev): -40.5064 -40.5064 -40.4831 -40.4831 -40.3479 -40.3479 -40.3472 -40.3472 -29.7591 -29.7591 -12.5692 -12.5692 -11.4705 -11.4705 -11.3832 -11.3832 -4.0977 -4.0977 -3.9725 -3.9725 2.6851 2.6851 2.8885 2.8885 4.4299 4.4299 4.4570 4.4570 4.6588 4.6588 4.6944 4.6944 7.9242 7.9242 8.0050 8.0050 8.0080 8.0080 8.7251 8.7251 k = 0.4524 0.1224 0.0741 ( 14742 PWs) bands (ev): -40.5064 -40.5064 -40.4831 -40.4831 -40.3479 -40.3479 -40.3472 -40.3472 -29.7591 -29.7591 -12.5692 -12.5692 -11.4705 -11.4705 -11.3832 -11.3832 -4.1069 -4.1069 -3.9624 -3.9624 2.5993 2.5993 2.9825 2.9825 4.4248 4.4248 4.4519 4.4519 4.6647 4.6647 4.7003 4.7003 7.9174 7.9174 8.0061 8.0061 8.0092 8.0092 8.6948 8.6948 k = 0.4286 0.1160 0.0702 ( 14748 PWs) bands (ev): -40.5064 -40.5064 -40.4831 -40.4831 -40.3479 -40.3479 -40.3472 -40.3472 -29.7591 -29.7591 -12.5692 -12.5692 -11.4705 -11.4705 -11.3832 -11.3832 -4.1198 -4.1198 -3.9483 -3.9483 2.5141 2.5141 3.0811 3.0811 4.4169 4.4169 4.4441 4.4441 4.6740 4.6740 4.7095 4.7095 7.9056 7.9056 8.0080 8.0080 8.0111 8.0111 8.6368 8.6368 k = 0.4048 0.1095 0.0663 ( 14763 PWs) bands (ev): -40.5064 -40.5064 -40.4831 -40.4831 -40.3480 -40.3480 -40.3472 -40.3472 -29.7591 -29.7591 -12.5692 -12.5692 -11.4705 -11.4705 -11.3832 -11.3832 -4.1345 -4.1345 -3.9317 -3.9317 2.4316 2.4316 3.1824 3.1824 4.4068 4.4068 4.4341 4.4341 4.6858 4.6858 4.7212 4.7212 7.8882 7.8882 8.0103 8.0103 8.0135 8.0135 8.5539 8.5539 k = 0.3810 0.1031 0.0624 ( 14772 PWs) bands (ev): -40.5064 -40.5064 -40.4831 -40.4831 -40.3480 -40.3480 -40.3472 -40.3472 -29.7591 -29.7591 -12.5692 -12.5692 -11.4705 -11.4705 -11.3832 -11.3832 -4.1500 -4.1500 -3.9139 -3.9139 2.3523 2.3523 3.2858 3.2858 4.3954 4.3954 4.4228 4.4228 4.6995 4.6995 4.7349 4.7349 7.8639 7.8639 8.0130 8.0130 8.0160 8.0160 8.4575 8.4575 k = 0.3571 0.0967 0.0585 ( 14769 PWs) bands (ev): -40.5064 -40.5064 -40.4831 -40.4831 -40.3480 -40.3480 -40.3472 -40.3472 -29.7591 -29.7591 -12.5692 -12.5692 -11.4705 -11.4705 -11.3832 -11.3832 -4.1657 -4.1657 -3.8955 -3.8955 2.2766 2.2766 3.3906 3.3906 4.3832 4.3832 4.4106 4.4106 4.7144 4.7144 4.7498 4.7498 7.8305 7.8305 8.0155 8.0155 8.0184 8.0184 8.3581 8.3581 k = 0.3333 0.0902 0.0546 ( 14781 PWs) bands (ev): -40.5064 -40.5064 -40.4831 -40.4831 -40.3480 -40.3480 -40.3472 -40.3472 -29.7591 -29.7591 -12.5692 -12.5692 -11.4705 -11.4705 -11.3832 -11.3832 -4.1811 -4.1811 -3.8770 -3.8770 2.2046 2.2046 3.4967 3.4967 4.3705 4.3705 4.3980 4.3980 4.7301 4.7301 4.7655 4.7655 7.7853 7.7853 8.0177 8.0177 8.0201 8.0201 8.2640 8.2640 k = 0.3095 0.0838 0.0507 ( 14775 PWs) bands (ev): -40.5064 -40.5064 -40.4831 -40.4831 -40.3480 -40.3480 -40.3472 -40.3472 -29.7591 -29.7591 -12.5692 -12.5692 -11.4705 -11.4705 -11.3832 -11.3832 -4.1961 -4.1961 -3.8587 -3.8587 2.1366 2.1366 3.6035 3.6035 4.3579 4.3579 4.3853 4.3853 4.7461 4.7461 4.7815 4.7815 7.7249 7.7249 8.0190 8.0190 8.0210 8.0210 8.1817 8.1817 k = 0.2857 0.0773 0.0468 ( 14757 PWs) bands (ev): -40.5064 -40.5064 -40.4831 -40.4831 -40.3480 -40.3480 -40.3472 -40.3472 -29.7591 -29.7591 -12.5692 -12.5692 -11.4705 -11.4705 -11.3832 -11.3832 -4.2104 -4.2104 -3.8408 -3.8408 2.0728 2.0728 3.7105 3.7106 4.3455 4.3455 4.3729 4.3729 4.7621 4.7621 4.7976 4.7976 7.6481 7.6481 8.0192 8.0192 8.0206 8.0206 8.1148 8.1148 k = 0.2619 0.0709 0.0429 ( 14763 PWs) bands (ev): -40.5064 -40.5064 -40.4831 -40.4831 -40.3480 -40.3480 -40.3472 -40.3472 -29.7591 -29.7591 -12.5692 -12.5692 -11.4705 -11.4705 -11.3832 -11.3832 -4.2238 -4.2238 -3.8236 -3.8236 2.0134 2.0134 3.8173 3.8173 4.3336 4.3336 4.3609 4.3609 4.7777 4.7777 4.8133 4.8133 7.5567 7.5567 8.0178 8.0178 8.0187 8.0187 8.0633 8.0633 k = 0.2381 0.0644 0.0390 ( 14757 PWs) bands (ev): -40.5064 -40.5064 -40.4831 -40.4831 -40.3480 -40.3480 -40.3472 -40.3472 -29.7591 -29.7591 -12.5692 -12.5692 -11.4705 -11.4705 -11.3832 -11.3832 -4.2364 -4.2364 -3.8073 -3.8073 1.9585 1.9585 3.9230 3.9230 4.3223 4.3223 4.3495 4.3495 4.7929 4.7929 4.8285 4.8285 7.4552 7.4552 8.0135 8.0135 8.0153 8.0153 8.0255 8.0255 k = 0.2143 0.0580 0.0351 ( 14739 PWs) bands (ev): -40.5064 -40.5064 -40.4831 -40.4831 -40.3480 -40.3480 -40.3472 -40.3472 -29.7591 -29.7591 -12.5692 -12.5692 -11.4705 -11.4705 -11.3832 -11.3832 -4.2480 -4.2480 -3.7920 -3.7920 1.9082 1.9082 4.0270 4.0270 4.3117 4.3117 4.3390 4.3390 4.8073 4.8073 4.8429 4.8429 7.3483 7.3483 7.9916 7.9916 8.0104 8.0104 8.0127 8.0127 k = 0.1905 0.0516 0.0312 ( 14721 PWs) bands (ev): -40.5064 -40.5064 -40.4831 -40.4831 -40.3479 -40.3479 -40.3472 -40.3472 -29.7591 -29.7591 -12.5692 -12.5692 -11.4705 -11.4705 -11.3832 -11.3832 -4.2585 -4.2585 -3.7779 -3.7779 1.8628 1.8628 4.1281 4.1281 4.3021 4.3021 4.3292 4.3292 4.8207 4.8207 4.8563 4.8563 7.2404 7.2404 7.9679 7.9679 8.0043 8.0043 8.0070 8.0070 k = 0.1667 0.0451 0.0273 ( 14724 PWs) bands (ev): -40.5064 -40.5064 -40.4831 -40.4831 -40.3479 -40.3479 -40.3472 -40.3472 -29.7591 -29.7591 -12.5692 -12.5692 -11.4706 -11.4706 -11.3832 -11.3832 -4.2679 -4.2679 -3.7651 -3.7651 1.8224 1.8224 4.2251 4.2251 4.2934 4.2934 4.3205 4.3205 4.8330 4.8330 4.8686 4.8686 7.1345 7.1345 7.9486 7.9486 7.9973 7.9973 8.0007 8.0007 k = 0.1429 0.0387 0.0234 ( 14723 PWs) bands (ev): -40.5064 -40.5064 -40.4831 -40.4831 -40.3479 -40.3479 -40.3472 -40.3472 -29.7591 -29.7591 -12.5692 -12.5692 -11.4706 -11.4706 -11.3832 -11.3832 -4.2761 -4.2761 -3.7537 -3.7537 1.7871 1.7871 4.2857 4.2857 4.3128 4.3128 4.3164 4.3164 4.8441 4.8441 4.8796 4.8796 7.0339 7.0339 7.9328 7.9328 7.9900 7.9900 7.9941 7.9941 k = 0.1190 0.0322 0.0195 ( 14714 PWs) bands (ev): -40.5064 -40.5064 -40.4831 -40.4831 -40.3479 -40.3479 -40.3472 -40.3472 -29.7591 -29.7591 -12.5692 -12.5692 -11.4706 -11.4706 -11.3832 -11.3832 -4.2831 -4.2831 -3.7439 -3.7439 1.7570 1.7570 4.2791 4.2791 4.3062 4.3062 4.4001 4.4001 4.8538 4.8538 4.8891 4.8891 6.9411 6.9411 7.9200 7.9200 7.9828 7.9828 7.9875 7.9875 k = 0.0952 0.0258 0.0156 ( 14708 PWs) bands (ev): -40.5064 -40.5064 -40.4831 -40.4831 -40.3479 -40.3479 -40.3472 -40.3472 -29.7591 -29.7591 -12.5692 -12.5692 -11.4706 -11.4706 -11.3832 -11.3832 -4.2889 -4.2889 -3.7357 -3.7357 1.7322 1.7322 4.2737 4.2737 4.3007 4.3007 4.4740 4.4740 4.8620 4.8620 4.8971 4.8971 6.8591 6.8591 7.9098 7.9098 7.9761 7.9761 7.9814 7.9814 k = 0.0714 0.0193 0.0117 ( 14717 PWs) bands (ev): -40.5064 -40.5064 -40.4831 -40.4831 -40.3479 -40.3479 -40.3472 -40.3472 -29.7591 -29.7591 -12.5692 -12.5692 -11.4706 -11.4706 -11.3832 -11.3832 -4.2934 -4.2934 -3.7293 -3.7293 1.7129 1.7129 4.2694 4.2694 4.2964 4.2964 4.5355 4.5355 4.8686 4.8686 4.9034 4.9034 6.7909 6.7909 7.9021 7.9021 7.9705 7.9705 7.9762 7.9762 k = 0.0476 0.0129 0.0078 ( 14720 PWs) bands (ev): -40.5064 -40.5064 -40.4831 -40.4831 -40.3480 -40.3480 -40.3472 -40.3472 -29.7591 -29.7591 -12.5692 -12.5692 -11.4706 -11.4706 -11.3832 -11.3832 -4.2967 -4.2967 -3.7246 -3.7246 1.6990 1.6990 4.2664 4.2664 4.2933 4.2933 4.5819 4.5819 4.8735 4.8735 4.9080 4.9080 6.7393 6.7393 7.8966 7.8966 7.9662 7.9662 7.9722 7.9722 k = 0.0238 0.0064 0.0039 ( 14717 PWs) bands (ev): -40.5064 -40.5064 -40.4831 -40.4831 -40.3480 -40.3480 -40.3471 -40.3471 -29.7591 -29.7591 -12.5692 -12.5692 -11.4706 -11.4706 -11.3832 -11.3832 -4.2986 -4.2986 -3.7218 -3.7218 1.6906 1.6906 4.2645 4.2645 4.2914 4.2914 4.6108 4.6108 4.8766 4.8766 4.9107 4.9107 6.7072 6.7072 7.8934 7.8934 7.9636 7.9636 7.9698 7.9698 k = 0.0000 0.0000 0.0000 ( 14699 PWs) bands (ev): -40.5064 -40.5064 -40.4831 -40.4831 -40.3480 -40.3480 -40.3471 -40.3471 -29.7591 -29.7591 -12.5692 -12.5692 -11.4706 -11.4706 -11.3832 -11.3832 -4.2993 -4.2993 -3.7208 -3.7208 1.6879 1.6879 4.2639 4.2639 4.2908 4.2908 4.6207 4.6207 4.8776 4.8776 4.9116 4.9116 6.6962 6.6962 7.8923 7.8923 7.9627 7.9627 7.9689 7.9689 k = 0.0000 0.0000 0.0000 ( 14699 PWs) bands (ev): -40.5064 -40.5064 -40.4831 -40.4831 -40.3480 -40.3480 -40.3471 -40.3471 -29.7591 -29.7591 -12.5692 -12.5692 -11.4706 -11.4706 -11.3832 -11.3832 -4.2993 -4.2993 -3.7208 -3.7208 1.6879 1.6879 4.2639 4.2639 4.2908 4.2908 4.6207 4.6207 4.8776 4.8776 4.9116 4.9116 6.6962 6.6962 7.8923 7.8923 7.9627 7.9627 7.9689 7.9689 k = 0.0067-0.0115-0.0219 ( 14715 PWs) bands (ev): -40.5064 -40.5064 -40.4831 -40.4831 -40.3480 -40.3480 -40.3471 -40.3471 -29.7591 -29.7591 -12.5693 -12.5693 -11.4706 -11.4706 -11.3834 -11.3834 -4.2986 -4.2986 -3.7207 -3.7207 1.6892 1.6892 4.2610 4.2610 4.2880 4.2880 4.6201 4.6201 4.8730 4.8730 4.9072 4.9072 6.6982 6.6982 7.8958 7.8958 7.9644 7.9644 7.9719 7.9719 k = 0.0134-0.0229-0.0439 ( 14727 PWs) bands (ev): -40.5064 -40.5064 -40.4831 -40.4831 -40.3480 -40.3480 -40.3472 -40.3472 -29.7590 -29.7590 -12.5695 -12.5695 -11.4706 -11.4706 -11.3839 -11.3839 -4.2965 -4.2965 -3.7204 -3.7204 1.6932 1.6932 4.2519 4.2519 4.2802 4.2802 4.6185 4.6185 4.8573 4.8573 4.8963 4.8963 6.7039 6.7039 7.9038 7.9038 7.9663 7.9663 7.9860 7.9860 k = 0.0201-0.0344-0.0658 ( 14723 PWs) bands (ev): -40.5063 -40.5063 -40.4831 -40.4831 -40.3480 -40.3480 -40.3472 -40.3472 -29.7589 -29.7589 -12.5698 -12.5698 -11.4707 -11.4707 -11.3847 -11.3847 -4.2931 -4.2931 -3.7198 -3.7198 1.7000 1.7000 4.2352 4.2352 4.2690 4.2690 4.6155 4.6155 4.8276 4.8276 4.8825 4.8825 6.7130 6.7130 7.9117 7.9117 7.9677 7.9677 8.0164 8.0164 k = 0.0268-0.0459-0.0877 ( 14727 PWs) bands (ev): -40.5062 -40.5062 -40.4831 -40.4831 -40.3480 -40.3480 -40.3472 -40.3472 -29.7589 -29.7589 -12.5702 -12.5702 -11.4709 -11.4709 -11.3859 -11.3859 -4.2883 -4.2883 -3.7189 -3.7189 1.7093 1.7093 4.2107 4.2107 4.2552 4.2552 4.6110 4.6110 4.7847 4.7847 4.8667 4.8667 6.7250 6.7250 7.9175 7.9175 7.9690 7.9690 8.0637 8.0637 k = 0.0335-0.0574-0.1097 ( 14723 PWs) bands (ev): -40.5062 -40.5062 -40.4832 -40.4832 -40.3480 -40.3480 -40.3472 -40.3472 -29.7587 -29.7587 -12.5708 -12.5708 -11.4710 -11.4710 -11.3874 -11.3874 -4.2822 -4.2822 -3.7179 -3.7179 1.7214 1.7214 4.1790 4.1790 4.2385 4.2385 4.6046 4.6046 4.7315 4.7315 4.8480 4.8480 6.7394 6.7394 7.9220 7.9220 7.9700 7.9700 8.1262 8.1262 k = 0.0402-0.0688-0.1316 ( 14725 PWs) bands (ev): -40.5060 -40.5060 -40.4832 -40.4832 -40.3481 -40.3481 -40.3473 -40.3473 -29.7586 -29.7586 -12.5715 -12.5715 -11.4713 -11.4713 -11.3892 -11.3892 -4.2748 -4.2748 -3.7166 -3.7166 1.7360 1.7360 4.1412 4.1412 4.2183 4.2183 4.5950 4.5950 4.6714 4.6714 4.8260 4.8260 6.7556 6.7556 7.9266 7.9266 7.9702 7.9702 8.2015 8.2015 k = 0.0469-0.0803-0.1536 ( 14721 PWs) bands (ev): -40.5059 -40.5059 -40.4832 -40.4832 -40.3481 -40.3481 -40.3473 -40.3473 -29.7584 -29.7584 -12.5723 -12.5723 -11.4716 -11.4716 -11.3913 -11.3913 -4.2661 -4.2661 -3.7151 -3.7151 1.7533 1.7533 4.0985 4.0985 4.1938 4.1938 4.5747 4.5747 4.6143 4.6143 4.8005 4.8005 6.7735 6.7735 7.9323 7.9323 7.9693 7.9693 8.2878 8.2878 k = 0.0536-0.0918-0.1755 ( 14723 PWs) bands (ev): -40.5057 -40.5057 -40.4833 -40.4833 -40.3482 -40.3482 -40.3473 -40.3473 -29.7582 -29.7582 -12.5732 -12.5732 -11.4719 -11.4719 -11.3937 -11.3937 -4.2562 -4.2562 -3.7134 -3.7134 1.7732 1.7732 4.0515 4.0515 4.1641 4.1641 4.5197 4.5197 4.5867 4.5867 4.7715 4.7715 6.7926 6.7926 7.9400 7.9400 7.9670 7.9670 8.3831 8.3831 k = 0.0603-0.1032-0.1974 ( 14723 PWs) bands (ev): -40.5056 -40.5056 -40.4834 -40.4834 -40.3482 -40.3482 -40.3474 -40.3474 -29.7580 -29.7580 -12.5742 -12.5742 -11.4723 -11.4723 -11.3962 -11.3962 -4.2450 -4.2450 -3.7114 -3.7114 1.7955 1.7955 4.0011 4.0011 4.1280 4.1280 4.4499 4.4499 4.5710 4.5710 4.7392 4.7392 6.8127 6.8127 7.9499 7.9499 7.9632 7.9632 8.4856 8.4856 k = 0.0670-0.1147-0.2194 ( 14715 PWs) bands (ev): -40.5054 -40.5054 -40.4834 -40.4834 -40.3483 -40.3483 -40.3474 -40.3474 -29.7578 -29.7578 -12.5754 -12.5754 -11.4728 -11.4728 -11.3990 -11.3990 -4.2327 -4.2327 -3.7093 -3.7093 1.8204 1.8204 3.9480 3.9480 4.0841 4.0841 4.3797 4.3797 4.5555 4.5555 4.7038 4.7038 6.8339 6.8339 7.9543 7.9543 7.9659 7.9659 8.5934 8.5934 k = 0.0737-0.1262-0.2413 ( 14727 PWs) bands (ev): -40.5052 -40.5052 -40.4835 -40.4835 -40.3483 -40.3483 -40.3475 -40.3475 -29.7575 -29.7575 -12.5766 -12.5766 -11.4733 -11.4733 -11.4020 -11.4020 -4.2192 -4.2192 -3.7070 -3.7070 1.8477 1.8477 3.8927 3.8927 4.0310 4.0310 4.3130 4.3130 4.5388 4.5388 4.6657 4.6657 6.8561 6.8561 7.9467 7.9467 7.9823 7.9823 8.7028 8.7028 k = 0.0804-0.1376-0.2632 ( 14733 PWs) bands (ev): -40.5049 -40.5049 -40.4836 -40.4836 -40.3484 -40.3484 -40.3476 -40.3476 -29.7572 -29.7572 -12.5780 -12.5780 -11.4739 -11.4739 -11.4051 -11.4051 -4.2047 -4.2047 -3.7045 -3.7045 1.8774 1.8774 3.8359 3.8359 3.9681 3.9681 4.2514 4.2514 4.5204 4.5204 4.6253 4.6253 6.8793 6.8793 7.9363 7.9363 8.0034 8.0034 8.8011 8.8011 k = 0.0871-0.1491-0.2852 ( 14725 PWs) bands (ev): -40.5047 -40.5047 -40.4836 -40.4836 -40.3485 -40.3485 -40.3476 -40.3476 -29.7569 -29.7569 -12.5794 -12.5794 -11.4747 -11.4747 -11.4084 -11.4084 -4.1891 -4.1891 -3.7019 -3.7019 1.9094 1.9094 3.7780 3.7780 3.8964 3.8964 4.1952 4.1952 4.5003 4.5003 4.5829 4.5829 6.9035 6.9035 7.9242 7.9242 8.0288 8.0288 8.8376 8.8376 k = 0.0938-0.1606-0.3071 ( 14731 PWs) bands (ev): -40.5044 -40.5044 -40.4837 -40.4837 -40.3486 -40.3486 -40.3477 -40.3477 -29.7566 -29.7566 -12.5810 -12.5810 -11.4755 -11.4755 -11.4117 -11.4117 -4.1726 -4.1726 -3.6991 -3.6991 1.9437 1.9437 3.7195 3.7195 3.8176 3.8176 4.1431 4.1431 4.4778 4.4778 4.5395 4.5395 6.9290 6.9290 7.9108 7.9108 8.0586 8.0586 8.8148 8.8148 k = 0.1005-0.1721-0.3290 ( 14737 PWs) bands (ev): -40.5042 -40.5042 -40.4838 -40.4838 -40.3486 -40.3486 -40.3478 -40.3478 -29.7563 -29.7563 -12.5826 -12.5826 -11.4765 -11.4765 -11.4151 -11.4151 -4.1552 -4.1552 -3.6962 -3.6962 1.9802 1.9802 3.6607 3.6607 3.7341 3.7341 4.0937 4.0937 4.4516 4.4516 4.4970 4.4970 6.9557 6.9557 7.8964 7.8964 8.0928 8.0928 8.7741 8.7741 k = 0.1072-0.1835-0.3510 ( 14739 PWs) bands (ev): -40.5039 -40.5039 -40.4839 -40.4839 -40.3487 -40.3487 -40.3479 -40.3479 -29.7560 -29.7560 -12.5843 -12.5843 -11.4776 -11.4776 -11.4185 -11.4185 -4.1369 -4.1369 -3.6931 -3.6931 2.0189 2.0189 3.6022 3.6022 3.6476 3.6476 4.0456 4.0456 4.4183 4.4183 4.4589 4.4589 6.9839 6.9839 7.8816 7.8816 8.1313 8.1313 8.7241 8.7241 k = 0.1139-0.1950-0.3729 ( 14727 PWs) bands (ev): -40.5036 -40.5036 -40.4840 -40.4840 -40.3488 -40.3488 -40.3479 -40.3479 -29.7556 -29.7556 -12.5860 -12.5860 -11.4789 -11.4789 -11.4218 -11.4218 -4.1179 -4.1179 -3.6899 -3.6899 2.0596 2.0596 3.5440 3.5440 3.5599 3.5599 3.9978 3.9978 4.3763 4.3763 4.4275 4.4275 7.0136 7.0136 7.8667 7.8667 8.1738 8.1738 8.6668 8.6668 k = 0.1206-0.2065-0.3948 ( 14729 PWs) bands (ev): -40.5032 -40.5032 -40.4842 -40.4842 -40.3489 -40.3489 -40.3480 -40.3480 -29.7552 -29.7552 -12.5879 -12.5879 -11.4803 -11.4803 -11.4251 -11.4251 -4.0982 -4.0982 -3.6867 -3.6867 2.1023 2.1023 3.4713 3.4713 3.4871 3.4871 3.9498 3.9498 4.3289 4.3289 4.3996 4.3996 7.0449 7.0449 7.8521 7.8521 8.2195 8.2195 8.6040 8.6040 k = 0.1273-0.2179-0.4168 ( 14733 PWs) bands (ev): -40.5029 -40.5029 -40.4843 -40.4843 -40.3490 -40.3490 -40.3481 -40.3481 -29.7549 -29.7549 -12.5897 -12.5897 -11.4819 -11.4819 -11.4283 -11.4283 -4.0779 -4.0779 -3.6833 -3.6833 2.1468 2.1468 3.3838 3.3838 3.4308 3.4308 3.9012 3.9012 4.2792 4.2792 4.3727 4.3727 7.0780 7.0780 7.8382 7.8382 8.2665 8.2665 8.5382 8.5382 k = 0.1340-0.2294-0.4387 ( 14735 PWs) bands (ev): -40.5026 -40.5026 -40.4844 -40.4844 -40.3491 -40.3491 -40.3482 -40.3482 -29.7545 -29.7545 -12.5916 -12.5916 -11.4836 -11.4836 -11.4314 -11.4314 -4.0571 -4.0571 -3.6799 -3.6799 2.1932 2.1932 3.2972 3.2972 3.3759 3.3759 3.8519 3.8519 4.2282 4.2282 4.3459 4.3459 7.1129 7.1129 7.8252 7.8252 8.3073 8.3073 8.4778 8.4778 k = 0.1407-0.2409-0.4607 ( 14757 PWs) bands (ev): -40.5022 -40.5022 -40.4846 -40.4846 -40.3492 -40.3492 -40.3483 -40.3483 -29.7541 -29.7541 -12.5936 -12.5936 -11.4855 -11.4855 -11.4343 -11.4343 -4.0358 -4.0358 -3.6765 -3.6765 2.2413 2.2413 3.2123 3.2123 3.3225 3.3225 3.8017 3.8017 4.1767 4.1767 4.3190 4.3190 7.1495 7.1495 7.8134 7.8134 8.3107 8.3107 8.4547 8.4547 k = 0.1474-0.2523-0.4826 ( 14765 PWs) bands (ev): -40.5018 -40.5018 -40.4847 -40.4847 -40.3493 -40.3493 -40.3484 -40.3484 -29.7538 -29.7538 -12.5956 -12.5956 -11.4876 -11.4876 -11.4371 -11.4371 -4.0142 -4.0142 -3.6730 -3.6730 2.2909 2.2909 3.1294 3.1294 3.2709 3.2709 3.7507 3.7507 4.1249 4.1249 4.2920 4.2920 7.1879 7.1879 7.8029 7.8029 8.2560 8.2560 8.4904 8.4904 k = 0.1541-0.2638-0.5045 ( 14771 PWs) bands (ev): -40.5015 -40.5015 -40.4849 -40.4849 -40.3494 -40.3494 -40.3485 -40.3485 -29.7534 -29.7534 -12.5975 -12.5975 -11.4898 -11.4898 -11.4397 -11.4397 -3.9923 -3.9923 -3.6695 -3.6695 2.3421 2.3421 3.0489 3.0489 3.2211 3.2211 3.6990 3.6990 4.0731 4.0731 4.2649 4.2649 7.2280 7.2280 7.7940 7.7940 8.1797 8.1797 8.5493 8.5493 k = 0.1608-0.2753-0.5265 ( 14771 PWs) bands (ev): -40.5011 -40.5011 -40.4851 -40.4851 -40.3495 -40.3495 -40.3485 -40.3485 -29.7530 -29.7530 -12.5995 -12.5995 -11.4921 -11.4921 -11.4422 -11.4422 -3.9703 -3.9703 -3.6660 -3.6660 2.3945 2.3945 2.9710 2.9710 3.1734 3.1734 3.6465 3.6465 4.0215 4.0215 4.2378 4.2378 7.2692 7.2692 7.7867 7.7867 8.0978 8.0978 8.6162 8.6162 k = 0.1675-0.2868-0.5484 ( 14763 PWs) bands (ev): -40.5007 -40.5007 -40.4852 -40.4852 -40.3496 -40.3496 -40.3486 -40.3486 -29.7526 -29.7526 -12.6015 -12.6015 -11.4945 -11.4945 -11.4445 -11.4445 -3.9482 -3.9482 -3.6625 -3.6625 2.4480 2.4480 2.8962 2.8962 3.1278 3.1278 3.5934 3.5934 3.9702 3.9702 4.2108 4.2108 7.3111 7.3111 7.7811 7.7811 8.0148 8.0148 8.6877 8.6877 k = 0.1742-0.2982-0.5703 ( 14785 PWs) bands (ev): -40.5003 -40.5003 -40.4854 -40.4854 -40.3497 -40.3497 -40.3487 -40.3487 -29.7522 -29.7522 -12.6034 -12.6034 -11.4970 -11.4970 -11.4466 -11.4466 -3.9261 -3.9261 -3.6591 -3.6591 2.5023 2.5023 2.8248 2.8248 3.0846 3.0846 3.5399 3.5399 3.9195 3.9195 4.1840 4.1840 7.3524 7.3524 7.7774 7.7774 7.9338 7.9338 8.7623 8.7623 k = 0.1809-0.3097-0.5923 ( 14783 PWs) bands (ev): -40.4999 -40.4999 -40.4856 -40.4856 -40.3498 -40.3498 -40.3488 -40.3488 -29.7519 -29.7519 -12.6053 -12.6053 -11.4995 -11.4995 -11.4487 -11.4487 -3.9041 -3.9041 -3.6557 -3.6557 2.5566 2.5566 2.7577 2.7577 3.0437 3.0437 3.4859 3.4859 3.8694 3.8694 4.1575 4.1575 7.3904 7.3904 7.7754 7.7754 7.8583 7.8583 8.8393 8.8393 k = 0.1876-0.3212-0.6142 ( 14797 PWs) bands (ev): -40.4995 -40.4995 -40.4858 -40.4858 -40.3499 -40.3499 -40.3489 -40.3489 -29.7515 -29.7515 -12.6072 -12.6072 -11.5020 -11.5020 -11.4506 -11.4506 -3.8824 -3.8824 -3.6524 -3.6524 2.6069 2.6069 2.6989 2.6989 3.0053 3.0053 3.4318 3.4318 3.8200 3.8200 4.1315 4.1315 7.4196 7.4196 7.7748 7.7748 7.7949 7.7949 8.9182 8.9182 k = 0.1943-0.3326-0.6361 ( 14805 PWs) bands (ev): -40.4991 -40.4991 -40.4860 -40.4860 -40.3499 -40.3499 -40.3490 -40.3490 -29.7512 -29.7512 -12.6091 -12.6091 -11.5045 -11.5045 -11.4524 -11.4524 -3.8610 -3.8610 -3.6491 -3.6491 2.6116 2.6116 2.6900 2.6900 2.9695 2.9695 3.3776 3.3776 3.7714 3.7714 4.1060 4.1060 7.4295 7.4295 7.7520 7.7520 7.7781 7.7781 8.9982 8.9982 k = 0.2010-0.3441-0.6581 ( 14787 PWs) bands (ev): -40.4987 -40.4987 -40.4863 -40.4863 -40.3500 -40.3500 -40.3490 -40.3490 -29.7508 -29.7508 -12.6108 -12.6108 -11.5069 -11.5069 -11.4542 -11.4542 -3.8400 -3.8400 -3.6460 -3.6460 2.5624 2.5624 2.7390 2.7390 2.9363 2.9363 3.3234 3.3234 3.7238 3.7238 4.0812 4.0812 7.4093 7.4093 7.7446 7.7446 7.7817 7.7817 9.0789 9.0789 k = 0.2077-0.3556-0.6800 ( 14803 PWs) bands (ev): -40.4983 -40.4983 -40.4865 -40.4865 -40.3501 -40.3501 -40.3491 -40.3491 -29.7505 -29.7505 -12.6126 -12.6126 -11.5093 -11.5093 -11.4559 -11.4559 -3.8195 -3.8195 -3.6429 -3.6429 2.5103 2.5103 2.7949 2.7949 2.9059 2.9059 3.2697 3.2697 3.6773 3.6773 4.0570 4.0570 7.3616 7.3616 7.7683 7.7683 7.7876 7.7876 9.1595 9.1595 k = 0.2144-0.3671-0.7020 ( 14799 PWs) bands (ev): -40.4979 -40.4979 -40.4867 -40.4867 -40.3502 -40.3502 -40.3492 -40.3492 -29.7502 -29.7502 -12.6142 -12.6142 -11.5115 -11.5115 -11.4575 -11.4575 -3.7996 -3.7996 -3.6400 -3.6400 2.4612 2.4612 2.8508 2.8508 2.8791 2.8791 3.2166 3.2166 3.6318 3.6318 4.0337 4.0337 7.2983 7.2983 7.7945 7.7945 7.8127 7.8127 9.2392 9.2392 k = 0.2211-0.3785-0.7239 ( 14799 PWs) bands (ev): -40.4975 -40.4975 -40.4870 -40.4870 -40.3503 -40.3503 -40.3492 -40.3492 -29.7499 -29.7499 -12.6158 -12.6158 -11.5135 -11.5135 -11.4591 -11.4591 -3.7804 -3.7804 -3.6372 -3.6372 2.4157 2.4157 2.8519 2.8519 2.9088 2.9088 3.1652 3.1652 3.5875 3.5875 4.0112 4.0112 7.2283 7.2283 7.8043 7.8043 7.8673 7.8673 9.3171 9.3171 k = 0.2278-0.3900-0.7458 ( 14805 PWs) bands (ev): -40.4971 -40.4971 -40.4872 -40.4872 -40.3504 -40.3504 -40.3493 -40.3493 -29.7496 -29.7496 -12.6172 -12.6172 -11.5155 -11.5155 -11.4606 -11.4606 -3.7620 -3.7620 -3.6345 -3.6345 2.3744 2.3744 2.8299 2.8299 2.9601 2.9601 3.1184 3.1184 3.5445 3.5445 3.9897 3.9897 7.1560 7.1560 7.8157 7.8157 7.9289 7.9289 9.3917 9.3918 k = 0.2345-0.4015-0.7678 ( 14801 PWs) bands (ev): -40.4967 -40.4967 -40.4875 -40.4875 -40.3504 -40.3504 -40.3494 -40.3494 -29.7494 -29.7494 -12.6186 -12.6186 -11.5172 -11.5172 -11.4622 -11.4622 -3.7445 -3.7445 -3.6320 -3.6320 2.3373 2.3373 2.8103 2.8103 2.9925 2.9925 3.0911 3.0911 3.5028 3.5028 3.9691 3.9691 7.0838 7.0838 7.8289 7.8289 7.9952 7.9952 9.4615 9.4615 k = 0.2412-0.4129-0.7897 ( 14797 PWs) bands (ev): -40.4963 -40.4963 -40.4877 -40.4877 -40.3505 -40.3505 -40.3494 -40.3494 -29.7491 -29.7491 -12.6199 -12.6199 -11.5188 -11.5188 -11.4637 -11.4637 -3.7279 -3.7279 -3.6297 -3.6297 2.3046 2.3046 2.7933 2.7933 2.9747 2.9747 3.1140 3.1140 3.4626 3.4626 3.9496 3.9496 7.0129 7.0129 7.8438 7.8438 8.0650 8.0650 9.5242 9.5242 k = 0.2479-0.4244-0.8116 ( 14779 PWs) bands (ev): -40.4959 -40.4959 -40.4880 -40.4880 -40.3505 -40.3505 -40.3495 -40.3495 -29.7489 -29.7489 -12.6211 -12.6211 -11.5202 -11.5202 -11.4651 -11.4651 -3.7123 -3.7123 -3.6275 -3.6275 2.2764 2.2764 2.7789 2.7789 2.9314 2.9314 3.1622 3.1622 3.4239 3.4239 3.9311 3.9311 6.9439 6.9439 7.8605 7.8605 8.1377 8.1377 9.5770 9.5770 k = 0.2546-0.4359-0.8336 ( 14781 PWs) bands (ev): -40.4955 -40.4955 -40.4882 -40.4882 -40.3506 -40.3506 -40.3495 -40.3495 -29.7487 -29.7487 -12.6222 -12.6222 -11.5214 -11.5214 -11.4666 -11.4666 -3.6979 -3.6979 -3.6254 -3.6254 2.2527 2.2527 2.7671 2.7671 2.8833 2.8833 3.2149 3.2149 3.3869 3.3869 3.9138 3.9138 6.8774 6.8774 7.8788 7.8788 8.2127 8.2127 9.6167 9.6167 k = 0.2613-0.4473-0.8555 ( 14787 PWs) bands (ev): -40.4951 -40.4951 -40.4885 -40.4885 -40.3507 -40.3507 -40.3495 -40.3495 -29.7485 -29.7485 -12.6232 -12.6232 -11.5224 -11.5224 -11.4680 -11.4680 -3.6845 -3.6845 -3.6236 -3.6236 2.2335 2.2335 2.7575 2.7575 2.8345 2.8345 3.2676 3.2676 3.3521 3.3521 3.8975 3.8975 6.8137 6.8137 7.8987 7.8987 8.2896 8.2896 9.6404 9.6404 k = 0.2680-0.4588-0.8774 ( 14777 PWs) bands (ev): -40.4947 -40.4947 -40.4888 -40.4888 -40.3507 -40.3507 -40.3496 -40.3496 -29.7483 -29.7483 -12.6240 -12.6240 -11.5233 -11.5233 -11.4694 -11.4694 -3.6723 -3.6723 -3.6219 -3.6219 2.2188 2.2188 2.7492 2.7492 2.7869 2.7869 3.3082 3.3082 3.3305 3.3305 3.8824 3.8824 6.7530 6.7530 7.9201 7.9201 8.3680 8.3680 9.6466 9.6466 k = 0.2747-0.4703-0.8994 ( 14775 PWs) bands (ev): -40.4944 -40.4944 -40.4891 -40.4891 -40.3508 -40.3508 -40.3496 -40.3496 -29.7481 -29.7481 -12.6248 -12.6248 -11.5239 -11.5239 -11.4707 -11.4707 -3.6614 -3.6614 -3.6204 -3.6204 2.2085 2.2085 2.7303 2.7303 2.7529 2.7529 3.2841 3.2841 3.3741 3.3741 3.8685 3.8685 6.6955 6.6955 7.9429 7.9429 8.4474 8.4474 9.6359 9.6359 k = 0.2814-0.4818-0.9213 ( 14779 PWs) bands (ev): -40.4940 -40.4940 -40.4893 -40.4893 -40.3508 -40.3508 -40.3496 -40.3496 -29.7480 -29.7480 -12.6255 -12.6255 -11.5244 -11.5244 -11.4720 -11.4720 -3.6517 -3.6517 -3.6191 -3.6191 2.2027 2.2027 2.6869 2.6869 2.7464 2.7464 3.2552 3.2552 3.4228 3.4228 3.8556 3.8556 6.6413 6.6413 7.9670 7.9670 8.5272 8.5272 9.6112 9.6112 k = 0.2881-0.4932-0.9433 ( 14793 PWs) bands (ev): -40.4937 -40.4937 -40.4896 -40.4896 -40.3508 -40.3508 -40.3497 -40.3497 -29.7479 -29.7479 -12.6261 -12.6261 -11.5248 -11.5248 -11.4732 -11.4732 -3.6433 -3.6433 -3.6178 -3.6178 2.2010 2.2010 2.6415 2.6415 2.7449 2.7449 3.2284 3.2284 3.4698 3.4698 3.8439 3.8439 6.5906 6.5906 7.9923 7.9923 8.6067 8.6067 9.5770 9.5770 k = 0.2948-0.5047-0.9652 ( 14785 PWs) bands (ev): -40.4933 -40.4933 -40.4899 -40.4899 -40.3509 -40.3509 -40.3497 -40.3497 -29.7478 -29.7478 -12.6266 -12.6266 -11.5250 -11.5250 -11.4744 -11.4744 -3.6362 -3.6362 -3.6167 -3.6167 2.2033 2.2033 2.5973 2.5973 2.7452 2.7452 3.2042 3.2042 3.5143 3.5143 3.8332 3.8332 6.5432 6.5432 8.0186 8.0186 8.6846 8.6846 9.5380 9.5380 k = 0.3015-0.5162-0.9871 ( 14773 PWs) bands (ev): -40.4930 -40.4930 -40.4902 -40.4902 -40.3509 -40.3509 -40.3497 -40.3497 -29.7477 -29.7477 -12.6269 -12.6269 -11.5251 -11.5251 -11.4754 -11.4754 -3.6305 -3.6305 -3.6157 -3.6157 2.2091 2.2091 2.5551 2.5551 2.7466 2.7466 3.1831 3.1831 3.5561 3.5561 3.8237 3.8237 6.4992 6.4992 8.0459 8.0459 8.7591 8.7591 9.4994 9.4994 k = 0.3082-0.5276-1.0091 ( 14779 PWs) bands (ev): -40.4927 -40.4927 -40.4905 -40.4905 -40.3509 -40.3509 -40.3497 -40.3497 -29.7476 -29.7476 -12.6272 -12.6272 -11.5251 -11.5251 -11.4762 -11.4762 -3.6261 -3.6261 -3.6147 -3.6147 2.2174 2.2174 2.5158 2.5158 2.7486 2.7486 3.1654 3.1654 3.5951 3.5951 3.8152 3.8152 6.4584 6.4584 8.0738 8.0738 8.8274 8.8274 9.4665 9.4665 k = 0.3149-0.5391-1.0310 ( 14787 PWs) bands (ev): -40.4924 -40.4924 -40.4908 -40.4908 -40.3509 -40.3509 -40.3497 -40.3497 -29.7476 -29.7476 -12.6275 -12.6275 -11.5250 -11.5250 -11.4770 -11.4770 -3.6231 -3.6231 -3.6136 -3.6136 2.2270 2.2270 2.4809 2.4809 2.7506 2.7506 3.1517 3.1517 3.6309 3.6309 3.8077 3.8077 6.4207 6.4207 8.1022 8.1022 8.8855 8.8855 9.4452 9.4452 k = 0.3216-0.5506-1.0529 ( 14795 PWs) bands (ev): -40.4921 -40.4921 -40.4911 -40.4911 -40.3509 -40.3509 -40.3497 -40.3497 -29.7475 -29.7475 -12.6276 -12.6276 -11.5249 -11.5249 -11.4775 -11.4775 -3.6213 -3.6213 -3.6127 -3.6127 2.2351 2.2351 2.4528 2.4528 2.7519 2.7519 3.1425 3.1425 3.6635 3.6635 3.8012 3.8012 6.3860 6.3860 8.1308 8.1308 8.9281 8.9281 9.4420 9.4420 k = 0.3283-0.5621-1.0749 ( 14801 PWs) bands (ev): -40.4918 -40.4918 -40.4913 -40.4913 -40.3509 -40.3509 -40.3497 -40.3497 -29.7475 -29.7475 -12.6277 -12.6277 -11.5249 -11.5249 -11.4778 -11.4778 -3.6204 -3.6204 -3.6120 -3.6120 2.2377 2.2377 2.4358 2.4358 2.7521 2.7521 3.1382 3.1382 3.6927 3.6927 3.7957 3.7957 6.3539 6.3539 8.1594 8.1594 8.9518 8.9518 9.4606 9.4606 k = 0.3350-0.5735-1.0968 ( 14813 PWs) bands (ev): -40.4916 -40.4916 -40.4915 -40.4915 -40.3509 -40.3509 -40.3497 -40.3497 -29.7475 -29.7475 -12.6277 -12.6277 -11.5249 -11.5249 -11.4778 -11.4778 -3.6202 -3.6202 -3.6119 -3.6119 2.2305 2.2305 2.4338 2.4338 2.7506 2.7506 3.1392 3.1392 3.7184 3.7184 3.7911 3.7911 6.3242 6.3242 8.1876 8.1876 8.9574 8.9574 9.4983 9.4983 k = 0.3417-0.5850-1.1187 ( 14797 PWs) bands (ev): -40.4919 -40.4919 -40.4912 -40.4912 -40.3509 -40.3509 -40.3497 -40.3497 -29.7475 -29.7475 -12.6277 -12.6277 -11.5249 -11.5249 -11.4776 -11.4776 -3.6206 -3.6206 -3.6122 -3.6122 2.2130 2.2130 2.4474 2.4474 2.7474 2.7474 3.1455 3.1455 3.7406 3.7406 3.7877 3.7877 6.2965 6.2965 8.2150 8.2150 8.9494 8.9494 9.5350 9.5350 k = 0.6583-0.4497-1.0368 ( 14797 PWs) bands (ev): -40.4919 -40.4919 -40.4912 -40.4912 -40.3509 -40.3509 -40.3497 -40.3497 -29.7475 -29.7475 -12.6277 -12.6277 -11.5249 -11.5249 -11.4776 -11.4776 -3.6206 -3.6206 -3.6122 -3.6122 2.2130 2.2130 2.4474 2.4474 2.7474 2.7474 3.1455 3.1455 3.7406 3.7406 3.7877 3.7877 6.2965 6.2965 8.2150 8.2150 8.9494 8.9494 9.5350 9.5350 k = 0.6517-0.4253-1.0368 ( 14797 PWs) bands (ev): -40.4922 -40.4922 -40.4910 -40.4910 -40.3509 -40.3509 -40.3497 -40.3497 -29.7476 -29.7476 -12.6276 -12.6276 -11.5251 -11.5251 -11.4772 -11.4772 -3.6215 -3.6215 -3.6131 -3.6131 2.1886 2.1886 2.4728 2.4728 2.7423 2.7423 3.1568 3.1568 3.7585 3.7585 3.7857 3.7857 6.2709 6.2709 8.2409 8.2409 8.9329 8.9329 9.4891 9.4891 k = 0.6451-0.4009-1.0368 ( 14797 PWs) bands (ev): -40.4924 -40.4924 -40.4907 -40.4907 -40.3509 -40.3509 -40.3497 -40.3497 -29.7476 -29.7476 -12.6274 -12.6274 -11.5253 -11.5253 -11.4764 -11.4764 -3.6229 -3.6229 -3.6142 -3.6142 2.1605 2.1605 2.5068 2.5068 2.7356 2.7356 3.1729 3.1729 3.7705 3.7705 3.7873 3.7873 6.2466 6.2466 8.2653 8.2653 8.9092 8.9092 9.3861 9.3861 k = 0.6385-0.3765-1.0368 ( 14803 PWs) bands (ev): -40.4927 -40.4927 -40.4905 -40.4905 -40.3509 -40.3509 -40.3497 -40.3497 -29.7476 -29.7476 -12.6273 -12.6273 -11.5257 -11.5257 -11.4755 -11.4755 -3.6250 -3.6250 -3.6155 -3.6155 2.1306 2.1306 2.5470 2.5470 2.7274 2.7274 3.1933 3.1933 3.7744 3.7744 3.7948 3.7948 6.2233 6.2233 8.2877 8.2877 8.8758 8.8758 9.2848 9.2848 k = 0.6319-0.3522-1.0368 ( 14801 PWs) bands (ev): -40.4929 -40.4929 -40.4903 -40.4903 -40.3509 -40.3509 -40.3497 -40.3497 -29.7477 -29.7477 -12.6271 -12.6271 -11.5262 -11.5262 -11.4742 -11.4742 -3.6279 -3.6279 -3.6168 -3.6168 2.1004 2.1004 2.5920 2.5920 2.7183 2.7183 3.2175 3.2175 3.7747 3.7747 3.8037 3.8037 6.2007 6.2007 8.3076 8.3076 8.8255 8.8255 9.2024 9.2024 k = 0.6253-0.3278-1.0368 ( 14791 PWs) bands (ev): -40.4932 -40.4932 -40.4900 -40.4900 -40.3509 -40.3509 -40.3497 -40.3497 -29.7477 -29.7477 -12.6269 -12.6269 -11.5268 -11.5268 -11.4727 -11.4727 -3.6313 -3.6313 -3.6181 -3.6181 2.0703 2.0703 2.6409 2.6409 2.7085 2.7085 3.2448 3.2448 3.7745 3.7745 3.8111 3.8111 6.1786 6.1786 8.3244 8.3244 8.7512 8.7512 9.1493 9.1493 k = 0.6187-0.3034-1.0368 ( 14793 PWs) bands (ev): -40.4934 -40.4934 -40.4899 -40.4899 -40.3508 -40.3508 -40.3497 -40.3497 -29.7478 -29.7478 -12.6266 -12.6266 -11.5275 -11.5275 -11.4711 -11.4711 -3.6354 -3.6354 -3.6192 -3.6192 2.0410 2.0410 2.6908 2.6908 2.7005 2.7005 3.2749 3.2749 3.7744 3.7744 3.8167 3.8167 6.1568 6.1568 8.3377 8.3377 8.6542 8.6542 9.1259 9.1259 k = 0.6121-0.2790-1.0368 ( 14785 PWs) bands (ev): -40.4936 -40.4936 -40.4897 -40.4897 -40.3508 -40.3508 -40.3497 -40.3497 -29.7479 -29.7479 -12.6264 -12.6264 -11.5283 -11.5283 -11.4692 -11.4692 -3.6399 -3.6399 -3.6203 -3.6203 2.0125 2.0125 2.6870 2.6870 2.7487 2.7487 3.3072 3.3072 3.7746 3.7746 3.8203 3.8203 6.1353 6.1353 8.3469 8.3469 8.5424 8.5424 9.1255 9.1255 k = 0.6055-0.2547-1.0368 ( 14781 PWs) bands (ev): -40.4939 -40.4939 -40.4895 -40.4895 -40.3508 -40.3508 -40.3497 -40.3497 -29.7480 -29.7480 -12.6261 -12.6261 -11.5291 -11.5291 -11.4673 -11.4673 -3.6447 -3.6447 -3.6214 -3.6214 1.9852 1.9852 2.6767 2.6767 2.8057 2.8057 3.3412 3.3412 3.7751 3.7751 3.8223 3.8223 6.1139 6.1139 8.3512 8.3512 8.4235 8.4235 9.1415 9.1415 k = 0.5990-0.2303-1.0368 ( 14781 PWs) bands (ev): -40.4941 -40.4941 -40.4893 -40.4893 -40.3508 -40.3508 -40.3496 -40.3496 -29.7480 -29.7480 -12.6258 -12.6258 -11.5300 -11.5300 -11.4652 -11.4652 -3.6497 -3.6497 -3.6225 -3.6225 1.9591 1.9591 2.6664 2.6664 2.8645 2.8645 3.3765 3.3765 3.7758 3.7758 3.8229 3.8229 6.0926 6.0926 8.2989 8.2989 8.3536 8.3536 9.1697 9.1697 k = 0.5924-0.2059-1.0368 ( 14787 PWs) bands (ev): -40.4943 -40.4943 -40.4892 -40.4892 -40.3508 -40.3508 -40.3496 -40.3496 -29.7481 -29.7481 -12.6256 -12.6256 -11.5309 -11.5309 -11.4631 -11.4631 -3.6549 -3.6549 -3.6236 -3.6236 1.9344 1.9344 2.6564 2.6564 2.9245 2.9245 3.4125 3.4125 3.7767 3.7767 3.8223 3.8223 6.0716 6.0716 8.1772 8.1772 8.3481 8.3481 9.2078 9.2078 k = 0.5858-0.1815-1.0368 ( 14789 PWs) bands (ev): -40.4944 -40.4944 -40.4890 -40.4890 -40.3507 -40.3507 -40.3496 -40.3496 -29.7482 -29.7482 -12.6253 -12.6253 -11.5318 -11.5318 -11.4610 -11.4610 -3.6601 -3.6601 -3.6246 -3.6246 1.9111 1.9111 2.6469 2.6469 2.9852 2.9852 3.4489 3.4489 3.7777 3.7777 3.8206 3.8206 6.0510 6.0510 8.0565 8.0565 8.3385 8.3385 9.2541 9.2541 k = 0.5792-0.1572-1.0368 ( 14789 PWs) bands (ev): -40.4946 -40.4946 -40.4889 -40.4889 -40.3507 -40.3507 -40.3496 -40.3496 -29.7483 -29.7483 -12.6251 -12.6251 -11.5327 -11.5327 -11.4589 -11.4589 -3.6653 -3.6653 -3.6256 -3.6256 1.8893 1.8893 2.6379 2.6379 3.0460 3.0460 3.4852 3.4852 3.7789 3.7789 3.8183 3.8183 6.0309 6.0309 7.9388 7.9388 8.3245 8.3245 9.3074 9.3074 k = 0.5726-0.1328-1.0368 ( 14787 PWs) bands (ev): -40.4948 -40.4948 -40.4888 -40.4888 -40.3507 -40.3507 -40.3496 -40.3496 -29.7483 -29.7483 -12.6248 -12.6248 -11.5336 -11.5336 -11.4568 -11.4568 -3.6704 -3.6704 -3.6266 -3.6266 1.8691 1.8691 2.6294 2.6294 3.1063 3.1063 3.5209 3.5209 3.7801 3.7801 3.8154 3.8154 6.0115 6.0115 7.8251 7.8251 8.3066 8.3066 9.3666 9.3666 k = 0.5660-0.1084-1.0368 ( 14785 PWs) bands (ev): -40.4949 -40.4949 -40.4887 -40.4887 -40.3507 -40.3507 -40.3496 -40.3496 -29.7484 -29.7484 -12.6246 -12.6246 -11.5345 -11.5345 -11.4548 -11.4548 -3.6752 -3.6752 -3.6275 -3.6275 1.8504 1.8504 2.6216 2.6216 3.1654 3.1654 3.5556 3.5556 3.7813 3.7813 3.8121 3.8121 5.9929 5.9929 7.7166 7.7166 8.2854 8.2854 9.4305 9.4305 k = 0.5594-0.0841-1.0368 ( 14781 PWs) bands (ev): -40.4951 -40.4951 -40.4886 -40.4886 -40.3506 -40.3506 -40.3496 -40.3496 -29.7485 -29.7485 -12.6244 -12.6244 -11.5352 -11.5352 -11.4529 -11.4529 -3.6798 -3.6798 -3.6284 -3.6284 1.8334 1.8334 2.6144 2.6144 3.2226 3.2226 3.5889 3.5889 3.7824 3.7824 3.8088 3.8088 5.9755 5.9755 7.6142 7.6142 8.2618 8.2618 9.4981 9.4981 k = 0.5528-0.0597-1.0368 ( 14787 PWs) bands (ev): -40.4952 -40.4952 -40.4885 -40.4885 -40.3506 -40.3506 -40.3495 -40.3495 -29.7485 -29.7485 -12.6242 -12.6242 -11.5360 -11.5360 -11.4511 -11.4511 -3.6841 -3.6841 -3.6292 -3.6292 1.8181 1.8181 2.6079 2.6079 3.2771 3.2771 3.6203 3.6203 3.7834 3.7834 3.8055 3.8055 5.9592 5.9592 7.5189 7.5189 8.2369 8.2369 9.5679 9.5679 k = 0.5462-0.0353-1.0368 ( 14789 PWs) bands (ev): -40.4953 -40.4953 -40.4884 -40.4884 -40.3506 -40.3506 -40.3495 -40.3495 -29.7486 -29.7486 -12.6240 -12.6240 -11.5366 -11.5366 -11.4495 -11.4495 -3.6880 -3.6880 -3.6299 -3.6299 1.8046 1.8046 2.6022 2.6022 3.3280 3.3280 3.6494 3.6494 3.7840 3.7840 3.8025 3.8025 5.9445 5.9445 7.4317 7.4317 8.2117 8.2117 9.6387 9.6387 k = 0.5396-0.0109-1.0368 ( 14779 PWs) bands (ev): -40.4954 -40.4954 -40.4883 -40.4883 -40.3506 -40.3506 -40.3495 -40.3495 -29.7487 -29.7487 -12.6238 -12.6238 -11.5372 -11.5372 -11.4481 -11.4481 -3.6915 -3.6915 -3.6306 -3.6306 1.7927 1.7927 2.5972 2.5972 3.3746 3.3746 3.6758 3.6758 3.7842 3.7842 3.8000 3.8000 5.9313 5.9313 7.3535 7.3535 8.1873 8.1873 9.7085 9.7085 k = 0.5330 0.0134-1.0368 ( 14780 PWs) bands (ev): -40.4955 -40.4955 -40.4883 -40.4883 -40.3506 -40.3506 -40.3495 -40.3495 -29.7487 -29.7487 -12.6237 -12.6237 -11.5378 -11.5378 -11.4468 -11.4468 -3.6945 -3.6945 -3.6311 -3.6311 1.7827 1.7827 2.5929 2.5929 3.4160 3.4160 3.6992 3.6992 3.7837 3.7837 3.7983 3.7983 5.9199 5.9199 7.2852 7.2852 8.1647 8.1647 9.7752 9.7752 k = 0.5264 0.0378-1.0368 ( 14776 PWs) bands (ev): -40.4955 -40.4955 -40.4882 -40.4882 -40.3506 -40.3506 -40.3495 -40.3495 -29.7487 -29.7487 -12.6236 -12.6236 -11.5382 -11.5382 -11.4458 -11.4458 -3.6970 -3.6970 -3.6316 -3.6316 1.7744 1.7744 2.5894 2.5894 3.4512 3.4512 3.7192 3.7192 3.7824 3.7824 3.7973 3.7973 5.9104 5.9104 7.2279 7.2279 8.1448 8.1448 9.8364 9.8364 k = 0.5198 0.0622-1.0368 ( 14780 PWs) bands (ev): -40.4956 -40.4956 -40.4882 -40.4882 -40.3505 -40.3505 -40.3495 -40.3495 -29.7488 -29.7488 -12.6235 -12.6235 -11.5385 -11.5385 -11.4449 -11.4449 -3.6990 -3.6990 -3.6320 -3.6320 1.7680 1.7680 2.5867 2.5867 3.4795 3.4795 3.7356 3.7356 3.7805 3.7805 3.7969 3.7969 5.9029 5.9029 7.1823 7.1823 8.1285 8.1285 9.8889 9.8889 k = 0.5132 0.0866-1.0368 ( 14800 PWs) bands (ev): -40.4956 -40.4956 -40.4882 -40.4882 -40.3505 -40.3505 -40.3495 -40.3495 -29.7488 -29.7488 -12.6235 -12.6235 -11.5388 -11.5388 -11.4443 -11.4443 -3.7005 -3.7005 -3.6322 -3.6322 1.7634 1.7634 2.5847 2.5847 3.5003 3.5003 3.7484 3.7484 3.7780 3.7780 3.7969 3.7969 5.8975 5.8975 7.1491 7.1491 8.1164 8.1164 9.9295 9.9295 k = 0.5066 0.1109-1.0368 ( 14814 PWs) bands (ev): -40.4957 -40.4957 -40.4882 -40.4882 -40.3506 -40.3506 -40.3495 -40.3495 -29.7488 -29.7488 -12.6234 -12.6234 -11.5389 -11.5389 -11.4440 -11.4440 -3.7013 -3.7013 -3.6324 -3.6324 1.7606 1.7606 2.5835 2.5835 3.5130 3.5130 3.7573 3.7573 3.7753 3.7753 3.7969 3.7969 5.8942 5.8942 7.1290 7.1290 8.1089 8.1089 9.9551 9.9551 k = 0.5000 0.1353-1.0368 ( 14816 PWs) bands (ev): -40.4957 -40.4957 -40.4882 -40.4882 -40.3505 -40.3505 -40.3495 -40.3495 -29.7488 -29.7488 -12.6234 -12.6234 -11.5389 -11.5389 -11.4439 -11.4439 -3.7016 -3.7016 -3.6324 -3.6324 1.7597 1.7597 2.5832 2.5832 3.5172 3.5172 3.7610 3.7610 3.7737 3.7737 3.7969 3.7969 5.8931 5.8931 7.1222 7.1222 8.1064 8.1064 9.9638 9.9638 k = 0.5000 0.1353-1.0368 ( 14816 PWs) bands (ev): -40.4957 -40.4957 -40.4882 -40.4882 -40.3505 -40.3505 -40.3495 -40.3495 -29.7488 -29.7488 -12.6234 -12.6234 -11.5389 -11.5389 -11.4439 -11.4439 -3.7016 -3.7016 -3.6324 -3.6324 1.7597 1.7597 2.5832 2.5832 3.5172 3.5172 3.7610 3.7610 3.7737 3.7737 3.7969 3.7969 5.8931 5.8931 7.1222 7.1222 8.1064 8.1064 9.9638 9.9638 k = 0.5198 0.1407-1.0266 ( 14811 PWs) bands (ev): -40.4957 -40.4957 -40.4882 -40.4882 -40.3505 -40.3505 -40.3495 -40.3495 -29.7488 -29.7488 -12.6234 -12.6234 -11.5389 -11.5389 -11.4439 -11.4439 -3.7025 -3.7025 -3.6316 -3.6316 1.7606 1.7606 2.5825 2.5825 3.5156 3.5156 3.7545 3.7545 3.7773 3.7773 3.8001 3.8001 5.8957 5.8957 7.1230 7.1230 8.1088 8.1088 9.9579 9.9579 k = 0.5396 0.1460-1.0163 ( 14799 PWs) bands (ev): -40.4957 -40.4957 -40.4882 -40.4882 -40.3505 -40.3505 -40.3495 -40.3495 -29.7488 -29.7488 -12.6234 -12.6234 -11.5389 -11.5389 -11.4439 -11.4439 -3.7049 -3.7049 -3.6294 -3.6294 1.7634 1.7634 2.5805 2.5805 3.5108 3.5108 3.7414 3.7414 3.7839 3.7839 3.8073 3.8073 5.9033 5.9033 7.1253 7.1253 8.1158 8.1158 9.9410 9.9410 k = 0.5594 0.1514-1.0061 ( 14796 PWs) bands (ev): -40.4957 -40.4957 -40.4882 -40.4882 -40.3505 -40.3505 -40.3495 -40.3495 -29.7488 -29.7488 -12.6234 -12.6234 -11.5389 -11.5389 -11.4439 -11.4439 -3.7086 -3.7086 -3.6259 -3.6259 1.7679 1.7679 2.5771 2.5771 3.5034 3.5034 3.7250 3.7250 3.7922 3.7922 3.8161 3.8161 5.9158 5.9158 7.1292 7.1292 8.1276 8.1276 9.9146 9.9147 k = 0.5792 0.1567-0.9958 ( 14789 PWs) bands (ev): -40.4957 -40.4957 -40.4881 -40.4881 -40.3505 -40.3505 -40.3495 -40.3495 -29.7488 -29.7488 -12.6233 -12.6233 -11.5388 -11.5388 -11.4439 -11.4439 -3.7132 -3.7132 -3.6217 -3.6217 1.7743 1.7743 2.5725 2.5725 3.4940 3.4940 3.7063 3.7063 3.8014 3.8014 3.8257 3.8257 5.9329 5.9329 7.1347 7.1347 8.1439 8.1439 9.8811 9.8811 k = 0.5990 0.1621-0.9856 ( 14785 PWs) bands (ev): -40.4957 -40.4957 -40.4881 -40.4881 -40.3505 -40.3505 -40.3495 -40.3495 -29.7488 -29.7488 -12.6233 -12.6233 -11.5387 -11.5387 -11.4439 -11.4439 -3.7184 -3.7184 -3.6169 -3.6169 1.7826 1.7826 2.5667 2.5667 3.4830 3.4830 3.6855 3.6855 3.8102 3.8102 3.8371 3.8371 5.9544 5.9544 7.1419 7.1419 8.1647 8.1647 9.8424 9.8424 k = 0.6187 0.1675-0.9753 ( 14783 PWs) bands (ev): -40.4957 -40.4957 -40.4881 -40.4881 -40.3505 -40.3505 -40.3495 -40.3495 -29.7488 -29.7488 -12.6232 -12.6232 -11.5386 -11.5386 -11.4439 -11.4439 -3.7240 -3.7240 -3.6119 -3.6119 1.7926 1.7926 2.5596 2.5596 3.4711 3.4711 3.6629 3.6629 3.8175 3.8175 3.8507 3.8507 5.9798 5.9798 7.1507 7.1507 8.1899 8.1899 9.8006 9.8006 k = 0.6385 0.1728-0.9651 ( 14780 PWs) bands (ev): -40.4958 -40.4958 -40.4881 -40.4881 -40.3505 -40.3505 -40.3495 -40.3495 -29.7489 -29.7489 -12.6231 -12.6231 -11.5384 -11.5384 -11.4438 -11.4438 -3.7298 -3.7298 -3.6068 -3.6068 1.8045 1.8045 2.5515 2.5515 3.4587 3.4587 3.6387 3.6387 3.8231 3.8231 3.8663 3.8663 6.0086 6.0086 7.1613 7.1613 8.2193 8.2193 9.7571 9.7571 k = 0.6583 0.1782-0.9549 ( 14771 PWs) bands (ev): -40.4958 -40.4958 -40.4881 -40.4881 -40.3505 -40.3505 -40.3495 -40.3495 -29.7489 -29.7489 -12.6230 -12.6230 -11.5383 -11.5383 -11.4438 -11.4438 -3.7357 -3.7357 -3.6017 -3.6017 1.8181 1.8181 2.5424 2.5424 3.4461 3.4461 3.6129 3.6129 3.8273 3.8273 3.8832 3.8832 6.0405 6.0405 7.1736 7.1736 8.2527 8.2527 9.7130 9.7130 k = 0.6583 0.1782-0.9549 ( 14771 PWs) bands (ev): -40.4958 -40.4958 -40.4881 -40.4881 -40.3505 -40.3505 -40.3495 -40.3495 -29.7489 -29.7489 -12.6230 -12.6230 -11.5383 -11.5383 -11.4438 -11.4438 -3.7357 -3.7357 -3.6017 -3.6017 1.8181 1.8181 2.5424 2.5424 3.4461 3.4461 3.6129 3.6129 3.8273 3.8273 3.8832 3.8832 6.0405 6.0405 7.1736 7.1736 8.2527 8.2527 9.7130 9.7130 k = 0.6545 0.1771-0.9296 ( 14773 PWs) bands (ev): -40.4959 -40.4959 -40.4880 -40.4880 -40.3505 -40.3505 -40.3495 -40.3495 -29.7489 -29.7489 -12.6226 -12.6226 -11.5375 -11.5375 -11.4438 -11.4438 -3.7401 -3.7401 -3.6027 -3.6027 1.8262 1.8262 2.5424 2.5424 3.4537 3.4537 3.6115 3.6115 3.8440 3.8440 3.8860 3.8860 6.0271 6.0271 7.1838 7.1838 8.2608 8.2608 9.7254 9.7254 k = 0.6506 0.1761-0.9043 ( 14779 PWs) bands (ev): -40.4961 -40.4961 -40.4879 -40.4879 -40.3505 -40.3505 -40.3494 -40.3494 -29.7490 -29.7490 -12.6220 -12.6220 -11.5364 -11.5364 -11.4438 -11.4438 -3.7451 -3.7451 -3.6053 -3.6053 1.8392 1.8392 2.5448 2.5448 3.4633 3.4633 3.6070 3.6070 3.8586 3.8586 3.8915 3.8915 6.0212 6.0212 7.1957 7.1957 8.2677 8.2677 9.7350 9.7350 k = 0.6467 0.1750-0.8790 ( 14777 PWs) bands (ev): -40.4963 -40.4963 -40.4877 -40.4877 -40.3504 -40.3504 -40.3494 -40.3494 -29.7492 -29.7492 -12.6213 -12.6213 -11.5350 -11.5350 -11.4437 -11.4437 -3.7505 -3.7505 -3.6095 -3.6095 1.8570 1.8570 2.5493 2.5493 3.4748 3.4748 3.6011 3.6011 3.8699 3.8699 3.8992 3.8992 6.0231 6.0231 7.2094 7.2094 8.2736 8.2736 9.7414 9.7414 k = 0.6429 0.1740-0.8537 ( 14775 PWs) bands (ev): -40.4965 -40.4965 -40.4876 -40.4876 -40.3504 -40.3504 -40.3494 -40.3494 -29.7493 -29.7493 -12.6204 -12.6204 -11.5334 -11.5334 -11.4437 -11.4437 -3.7564 -3.7564 -3.6152 -3.6152 1.8794 1.8794 2.5560 2.5560 3.4880 3.4880 3.5948 3.5948 3.8786 3.8786 3.9073 3.9073 6.0329 6.0329 7.2247 7.2247 8.2788 8.2788 9.7438 9.7438 k = 0.6390 0.1729-0.8284 ( 14781 PWs) bands (ev): -40.4968 -40.4968 -40.4874 -40.4874 -40.3504 -40.3504 -40.3493 -40.3493 -29.7495 -29.7495 -12.6194 -12.6194 -11.5315 -11.5315 -11.4436 -11.4436 -3.7628 -3.7628 -3.6224 -3.6224 1.9064 1.9064 2.5647 2.5647 3.5031 3.5031 3.5887 3.5887 3.8858 3.8858 3.9144 3.9144 6.0504 6.0504 7.2417 7.2417 8.2837 8.2837 9.7417 9.7417 k = 0.6352 0.1719-0.8031 ( 14773 PWs) bands (ev): -40.4971 -40.4971 -40.4872 -40.4872 -40.3503 -40.3503 -40.3493 -40.3493 -29.7497 -29.7497 -12.6183 -12.6183 -11.5294 -11.5294 -11.4434 -11.4434 -3.7694 -3.7694 -3.6311 -3.6311 1.9377 1.9377 2.5752 2.5752 3.5196 3.5196 3.5834 3.5834 3.8912 3.8912 3.9204 3.9204 6.0756 6.0756 7.2602 7.2602 8.2885 8.2885 9.7344 9.7344 k = 0.6313 0.1709-0.7778 ( 14773 PWs) bands (ev): -40.4974 -40.4974 -40.4870 -40.4870 -40.3503 -40.3503 -40.3492 -40.3492 -29.7499 -29.7499 -12.6170 -12.6170 -11.5270 -11.5270 -11.4433 -11.4433 -3.7765 -3.7765 -3.6411 -3.6411 1.9732 1.9732 2.5875 2.5875 3.5372 3.5372 3.5797 3.5797 3.8932 3.8932 3.9272 3.9272 6.1080 6.1080 7.2802 7.2802 8.2935 8.2935 9.7213 9.7213 k = 0.6274 0.1698-0.7525 ( 14775 PWs) bands (ev): -40.4978 -40.4978 -40.4868 -40.4868 -40.3502 -40.3502 -40.3492 -40.3492 -29.7502 -29.7502 -12.6156 -12.6156 -11.5245 -11.5245 -11.4431 -11.4431 -3.7838 -3.7838 -3.6524 -3.6524 2.0127 2.0127 2.6013 2.6013 3.5534 3.5534 3.5802 3.5802 3.8905 3.8905 3.9363 3.9363 6.1472 6.1472 7.3017 7.3017 8.2990 8.2990 9.7019 9.7019 k = 0.6236 0.1688-0.7273 ( 14763 PWs) bands (ev): -40.4981 -40.4981 -40.4866 -40.4866 -40.3501 -40.3501 -40.3491 -40.3491 -29.7504 -29.7504 -12.6141 -12.6141 -11.5217 -11.5217 -11.4428 -11.4428 -3.7915 -3.7915 -3.6649 -3.6649 2.0558 2.0558 2.6164 2.6164 3.5613 3.5613 3.5919 3.5919 3.8835 3.8835 3.9480 3.9480 6.1928 6.1928 7.3246 7.3246 8.3052 8.3052 9.6760 9.6760 k = 0.6197 0.1677-0.7020 ( 14756 PWs) bands (ev): -40.4985 -40.4985 -40.4864 -40.4864 -40.3500 -40.3500 -40.3491 -40.3491 -29.7507 -29.7507 -12.6125 -12.6125 -11.5188 -11.5188 -11.4425 -11.4425 -3.7993 -3.7993 -3.6785 -3.6785 2.1023 2.1023 2.6327 2.6327 3.5629 3.5629 3.6131 3.6131 3.8733 3.8733 3.9617 3.9617 6.2443 6.2443 7.3489 7.3489 8.3124 8.3124 9.6440 9.6440 k = 0.6158 0.1667-0.6767 ( 14750 PWs) bands (ev): -40.4989 -40.4989 -40.4862 -40.4862 -40.3500 -40.3500 -40.3490 -40.3490 -29.7510 -29.7510 -12.6108 -12.6108 -11.5157 -11.5157 -11.4421 -11.4421 -3.8074 -3.8074 -3.6931 -3.6931 2.1518 2.1518 2.6498 2.6498 3.5637 3.5637 3.6380 3.6380 3.8608 3.8608 3.9770 3.9770 6.3010 6.3010 7.3744 7.3744 8.3207 8.3207 9.6061 9.6061 k = 0.6120 0.1656-0.6514 ( 14748 PWs) bands (ev): -40.4992 -40.4992 -40.4860 -40.4860 -40.3499 -40.3499 -40.3489 -40.3489 -29.7513 -29.7513 -12.6091 -12.6091 -11.5125 -11.5125 -11.4415 -11.4415 -3.8157 -3.8157 -3.7085 -3.7085 2.2039 2.2039 2.6678 2.6678 3.5652 3.5652 3.6651 3.6651 3.8474 3.8474 3.9938 3.9938 6.3626 6.3626 7.4010 7.4010 8.3303 8.3303 9.5633 9.5633 k = 0.6081 0.1646-0.6261 ( 14753 PWs) bands (ev): -40.4996 -40.4996 -40.4858 -40.4858 -40.3498 -40.3498 -40.3489 -40.3489 -29.7516 -29.7516 -12.6072 -12.6072 -11.5093 -11.5093 -11.4409 -11.4409 -3.8242 -3.8242 -3.7247 -3.7247 2.2580 2.2580 2.6863 2.6863 3.5677 3.5677 3.6939 3.6939 3.8341 3.8341 4.0119 4.0119 6.4285 6.4285 7.4289 7.4289 8.3412 8.3412 9.5164 9.5164 k = 0.6043 0.1635-0.6008 ( 14753 PWs) bands (ev): -40.5000 -40.5000 -40.4856 -40.4856 -40.3497 -40.3497 -40.3488 -40.3488 -29.7520 -29.7520 -12.6054 -12.6054 -11.5060 -11.5060 -11.4401 -11.4401 -3.8328 -3.8328 -3.7416 -3.7416 2.3134 2.3134 2.7052 2.7052 3.5712 3.5712 3.7239 3.7239 3.8225 3.8225 4.0312 4.0312 6.4981 6.4981 7.4577 7.4577 8.3534 8.3534 9.4662 9.4662 k = 0.6004 0.1625-0.5755 ( 14761 PWs) bands (ev): -40.5004 -40.5004 -40.4854 -40.4854 -40.3496 -40.3496 -40.3487 -40.3487 -29.7523 -29.7523 -12.6034 -12.6034 -11.5027 -11.5027 -11.4392 -11.4392 -3.8415 -3.8415 -3.7588 -3.7588 2.3694 2.3694 2.7245 2.7245 3.5753 3.5753 3.7542 3.7542 3.8146 3.8146 4.0517 4.0517 6.5712 6.5712 7.4876 7.4876 8.3668 8.3668 9.4136 9.4136 k = 0.5965 0.1614-0.5502 ( 14755 PWs) bands (ev): -40.5008 -40.5008 -40.4852 -40.4852 -40.3495 -40.3495 -40.3486 -40.3486 -29.7527 -29.7527 -12.6015 -12.6015 -11.4994 -11.4994 -11.4381 -11.4381 -3.8503 -3.8503 -3.7765 -3.7765 2.4249 2.4249 2.7443 2.7443 3.5797 3.5797 3.7810 3.7810 3.8156 3.8156 4.0731 4.0731 6.6472 6.6472 7.5184 7.5184 8.3813 8.3813 9.3592 9.3592 k = 0.5927 0.1604-0.5250 ( 14770 PWs) bands (ev): -40.5011 -40.5011 -40.4851 -40.4851 -40.3494 -40.3494 -40.3485 -40.3485 -29.7530 -29.7530 -12.5995 -12.5995 -11.4963 -11.4963 -11.4367 -11.4367 -3.8592 -3.8592 -3.7943 -3.7943 2.4787 2.4787 2.7647 2.7647 3.5842 3.5842 3.7949 3.7949 3.8361 3.8361 4.0955 4.0955 6.7257 6.7257 7.5502 7.5502 8.3966 8.3966 9.3034 9.3034 k = 0.5888 0.1594-0.4997 ( 14761 PWs) bands (ev): -40.5015 -40.5015 -40.4849 -40.4849 -40.3494 -40.3494 -40.3485 -40.3485 -29.7534 -29.7534 -12.5975 -12.5975 -11.4933 -11.4933 -11.4352 -11.4352 -3.8683 -3.8683 -3.8121 -3.8121 2.5293 2.5293 2.7860 2.7860 3.5891 3.5891 3.8043 3.8043 3.8686 3.8686 4.1187 4.1187 6.8065 6.8065 7.5829 7.5829 8.4124 8.4124 9.2466 9.2466 k = 0.5850 0.1583-0.4744 ( 14747 PWs) bands (ev): -40.5019 -40.5019 -40.4847 -40.4847 -40.3493 -40.3493 -40.3484 -40.3484 -29.7538 -29.7538 -12.5955 -12.5955 -11.4904 -11.4904 -11.4334 -11.4334 -3.8776 -3.8776 -3.8298 -3.8298 2.5752 2.5752 2.8084 2.8084 3.5952 3.5952 3.8180 3.8180 3.9044 3.9044 4.1428 4.1428 6.8891 6.8891 7.6168 7.6168 8.4283 8.4283 9.1889 9.1889 k = 0.5811 0.1573-0.4491 ( 14757 PWs) bands (ev): -40.5022 -40.5022 -40.4846 -40.4846 -40.3492 -40.3492 -40.3483 -40.3483 -29.7542 -29.7542 -12.5936 -12.5936 -11.4878 -11.4878 -11.4313 -11.4313 -3.8872 -3.8872 -3.8469 -3.8469 2.6148 2.6148 2.8319 2.8319 3.6041 3.6041 3.8374 3.8374 3.9417 3.9417 4.1675 4.1675 6.9730 6.9730 7.6518 7.6518 8.4438 8.4438 9.1303 9.1303 k = 0.5772 0.1562-0.4238 ( 14761 PWs) bands (ev): -40.5026 -40.5026 -40.4844 -40.4844 -40.3491 -40.3491 -40.3482 -40.3482 -29.7545 -29.7545 -12.5916 -12.5916 -11.4854 -11.4854 -11.4290 -11.4290 -3.8976 -3.8976 -3.8631 -3.8631 2.6475 2.6475 2.8555 2.8555 3.6179 3.6179 3.8625 3.8625 3.9799 3.9799 4.1930 4.1930 7.0579 7.0579 7.6884 7.6884 8.4582 8.4582 9.0705 9.0705 k = 0.5734 0.1552-0.3985 ( 14767 PWs) bands (ev): -40.5029 -40.5029 -40.4843 -40.4843 -40.3490 -40.3490 -40.3481 -40.3481 -29.7549 -29.7549 -12.5897 -12.5897 -11.4832 -11.4832 -11.4265 -11.4265 -3.9090 -3.9090 -3.8778 -3.8778 2.6734 2.6734 2.8779 2.8779 3.6383 3.6383 3.8925 3.8925 4.0185 4.0185 4.2192 4.2192 7.1430 7.1430 7.7269 7.7269 8.4708 8.4708 9.0091 9.0091 k = 0.5695 0.1541-0.3732 ( 14777 PWs) bands (ev): -40.5033 -40.5033 -40.4842 -40.4842 -40.3489 -40.3489 -40.3480 -40.3480 -29.7553 -29.7553 -12.5878 -12.5878 -11.4813 -11.4813 -11.4237 -11.4237 -3.9218 -3.9218 -3.8905 -3.8905 2.6932 2.6932 2.8971 2.8971 3.6668 3.6668 3.9269 3.9269 4.0573 4.0573 4.2460 4.2460 7.2277 7.2277 7.7679 7.7679 8.4808 8.4808 8.9459 8.9459 k = 0.5656 0.1531-0.3479 ( 14776 PWs) bands (ev): -40.5036 -40.5036 -40.4841 -40.4841 -40.3488 -40.3488 -40.3480 -40.3480 -29.7556 -29.7556 -12.5860 -12.5860 -11.4796 -11.4796 -11.4208 -11.4208 -3.9359 -3.9359 -3.9014 -3.9014 2.7083 2.7083 2.9117 2.9117 3.7040 3.7040 3.9649 3.9649 4.0958 4.0958 4.2735 4.2735 7.3109 7.3109 7.8121 7.8121 8.4871 8.4871 8.8804 8.8804 k = 0.5618 0.1520-0.3227 ( 14780 PWs) bands (ev): -40.5039 -40.5039 -40.4839 -40.4839 -40.3487 -40.3487 -40.3479 -40.3479 -29.7560 -29.7560 -12.5842 -12.5842 -11.4781 -11.4781 -11.4177 -11.4177 -3.9507 -3.9507 -3.9107 -3.9107 2.7195 2.7195 2.9208 2.9208 3.7498 3.7498 4.0060 4.0060 4.1337 4.1337 4.3016 4.3016 7.3916 7.3916 7.8607 7.8607 8.4885 8.4885 8.8125 8.8125 k = 0.5579 0.1510-0.2974 ( 14773 PWs) bands (ev): -40.5042 -40.5042 -40.4838 -40.4838 -40.3486 -40.3486 -40.3478 -40.3478 -29.7563 -29.7563 -12.5825 -12.5825 -11.4768 -11.4768 -11.4146 -11.4146 -3.9656 -3.9656 -3.9190 -3.9190 2.7280 2.7280 2.9247 2.9247 3.8030 3.8030 4.0496 4.0496 4.1706 4.1706 4.3305 4.3305 7.4682 7.4682 7.9149 7.9149 8.4838 8.4838 8.7424 8.7424 k = 0.5541 0.1500-0.2721 ( 14783 PWs) bands (ev): -40.5045 -40.5045 -40.4837 -40.4837 -40.3486 -40.3486 -40.3477 -40.3477 -29.7566 -29.7566 -12.5809 -12.5809 -11.4757 -11.4757 -11.4113 -11.4113 -3.9804 -3.9804 -3.9265 -3.9265 2.7342 2.7342 2.9239 2.9239 3.8622 3.8622 4.0952 4.0952 4.2060 4.2060 4.3601 4.3601 7.5394 7.5394 7.9758 7.9758 8.4716 8.4716 8.6707 8.6707 k = 0.5502 0.1489-0.2468 ( 14780 PWs) bands (ev): -40.5047 -40.5047 -40.4837 -40.4837 -40.3485 -40.3485 -40.3477 -40.3477 -29.7569 -29.7569 -12.5794 -12.5794 -11.4748 -11.4748 -11.4081 -11.4081 -3.9948 -3.9948 -3.9333 -3.9333 2.7387 2.7387 2.9195 2.9195 3.9254 3.9254 4.1426 4.1426 4.2396 4.2396 4.3905 4.3905 7.6040 7.6040 8.0443 8.0443 8.4510 8.4510 8.5983 8.5983 k = 0.5463 0.1479-0.2215 ( 14770 PWs) bands (ev): -40.5050 -40.5050 -40.4836 -40.4836 -40.3484 -40.3484 -40.3476 -40.3476 -29.7572 -29.7572 -12.5779 -12.5779 -11.4740 -11.4740 -11.4050 -11.4050 -4.0085 -4.0085 -3.9396 -3.9396 2.7419 2.7419 2.9123 2.9123 3.9908 3.9908 4.1913 4.1913 4.2712 4.2712 4.4215 4.4215 7.6616 7.6616 8.1204 8.1204 8.4220 8.4220 8.5260 8.5260 k = 0.5425 0.1468-0.1962 ( 14776 PWs) bands (ev): -40.5052 -40.5052 -40.4835 -40.4835 -40.3483 -40.3483 -40.3475 -40.3475 -29.7575 -29.7575 -12.5766 -12.5766 -11.4733 -11.4733 -11.4019 -11.4019 -4.0214 -4.0214 -3.9454 -3.9454 2.7441 2.7441 2.9032 2.9032 4.0564 4.0564 4.2409 4.2409 4.3006 4.3006 4.4529 4.4529 7.7123 7.7123 8.2030 8.2030 8.3856 8.3856 8.4551 8.4551 k = 0.5386 0.1458-0.1709 ( 14768 PWs) bands (ev): -40.5054 -40.5054 -40.4834 -40.4834 -40.3483 -40.3483 -40.3475 -40.3475 -29.7578 -29.7578 -12.5754 -12.5754 -11.4727 -11.4727 -11.3990 -11.3990 -4.0335 -4.0335 -3.9507 -3.9507 2.7456 2.7456 2.8931 2.8931 4.1201 4.1201 4.2905 4.2905 4.3288 4.3288 4.4842 4.4842 7.7567 7.7567 8.2844 8.2844 8.3500 8.3500 8.3867 8.3868 k = 0.5348 0.1447-0.1456 ( 14756 PWs) bands (ev): -40.5056 -40.5056 -40.4834 -40.4834 -40.3482 -40.3482 -40.3474 -40.3474 -29.7580 -29.7580 -12.5742 -12.5742 -11.4723 -11.4723 -11.3962 -11.3962 -4.0446 -4.0446 -3.9555 -3.9555 2.7464 2.7464 2.8826 2.8826 4.1801 4.1801 4.3350 4.3350 4.3603 4.3603 4.5151 4.5151 7.7956 7.7956 8.2819 8.2819 8.3213 8.3213 8.3989 8.3989 k = 0.5309 0.1437-0.1204 ( 14758 PWs) bands (ev): -40.5058 -40.5058 -40.4833 -40.4833 -40.3482 -40.3482 -40.3474 -40.3474 -29.7582 -29.7582 -12.5732 -12.5732 -11.4719 -11.4719 -11.3936 -11.3936 -4.0548 -4.0548 -3.9598 -3.9598 2.7469 2.7469 2.8721 2.8721 4.2349 4.2349 4.3643 4.3643 4.4050 4.4050 4.5449 4.5449 7.8296 7.8296 8.2340 8.2340 8.2607 8.2607 8.4935 8.4935 k = 0.5270 0.1426-0.0951 ( 14762 PWs) bands (ev): -40.5059 -40.5059 -40.4833 -40.4833 -40.3481 -40.3481 -40.3473 -40.3473 -29.7584 -29.7584 -12.5723 -12.5723 -11.4715 -11.4715 -11.3913 -11.3913 -4.0638 -4.0638 -3.9636 -3.9636 2.7471 2.7471 2.8620 2.8620 4.2835 4.2835 4.3850 4.3850 4.4553 4.4553 4.5731 4.5731 7.8591 7.8591 8.1838 8.1838 8.2049 8.2049 8.5906 8.5906 k = 0.5232 0.1416-0.0698 ( 14758 PWs) bands (ev): -40.5060 -40.5060 -40.4832 -40.4832 -40.3481 -40.3481 -40.3473 -40.3473 -29.7586 -29.7586 -12.5715 -12.5715 -11.4712 -11.4712 -11.3892 -11.3892 -4.0718 -4.0718 -3.9669 -3.9669 2.7471 2.7471 2.8528 2.8528 4.3255 4.3255 4.4022 4.4022 4.5045 4.5045 4.5993 4.5993 7.8841 7.8841 8.1357 8.1357 8.1547 8.1547 8.6810 8.6810 k = 0.5193 0.1405-0.0445 ( 14744 PWs) bands (ev): -40.5062 -40.5062 -40.4832 -40.4832 -40.3480 -40.3480 -40.3473 -40.3473 -29.7587 -29.7587 -12.5708 -12.5708 -11.4710 -11.4710 -11.3874 -11.3874 -4.0786 -4.0786 -3.9697 -3.9697 2.7469 2.7469 2.8446 2.8446 4.3605 4.3605 4.4169 4.4169 4.5499 4.5499 4.6231 4.6231 7.9045 7.9045 8.0925 8.0925 8.1107 8.1107 8.7429 8.7429 k = 0.5154 0.1395-0.0192 ( 14745 PWs) bands (ev): -40.5062 -40.5062 -40.4832 -40.4832 -40.3480 -40.3480 -40.3472 -40.3472 -29.7589 -29.7589 -12.5702 -12.5702 -11.4708 -11.4708 -11.3859 -11.3859 -4.0842 -4.0842 -3.9721 -3.9721 2.7467 2.7467 2.8376 2.8376 4.3884 4.3884 4.4297 4.4297 4.5891 4.5891 4.6442 4.6442 7.9194 7.9194 8.0563 8.0563 8.0738 8.0738 8.7583 8.7583 k = 0.5116 0.1385 0.0061 ( 14749 PWs) bands (ev): -40.5063 -40.5063 -40.4831 -40.4831 -40.3480 -40.3480 -40.3472 -40.3472 -29.7590 -29.7590 -12.5698 -12.5698 -11.4707 -11.4707 -11.3847 -11.3847 -4.0886 -4.0886 -3.9739 -3.9739 2.7465 2.7465 2.8320 2.8320 4.4089 4.4089 4.4407 4.4407 4.6199 4.6199 4.6626 4.6626 7.9280 7.9280 8.0297 8.0297 8.0445 8.0445 8.7524 8.7524 k = 0.5077 0.1374 0.0314 ( 14742 PWs) bands (ev): -40.5064 -40.5064 -40.4831 -40.4831 -40.3480 -40.3480 -40.3472 -40.3472 -29.7590 -29.7590 -12.5694 -12.5694 -11.4706 -11.4706 -11.3839 -11.3839 -4.0917 -4.0917 -3.9752 -3.9752 2.7464 2.7464 2.8280 2.8280 4.4223 4.4223 4.4500 4.4500 4.6411 4.6411 4.6780 4.6780 7.9298 7.9298 8.0140 8.0140 8.0234 8.0234 8.7432 8.7432 k = 0.5039 0.1364 0.0567 ( 14747 PWs) bands (ev): -40.5064 -40.5064 -40.4831 -40.4831 -40.3479 -40.3479 -40.3472 -40.3472 -29.7591 -29.7591 -12.5693 -12.5693 -11.4705 -11.4705 -11.3834 -11.3834 -4.0936 -4.0936 -3.9759 -3.9759 2.7463 2.7463 2.8255 2.8255 4.4295 4.4295 4.4564 4.4564 4.6530 4.6530 4.6886 4.6886 7.9278 7.9278 8.0070 8.0070 8.0110 8.0110 8.7364 8.7364 k = 0.5000 0.1353 0.0819 ( 14736 PWs) bands (ev): -40.5064 -40.5064 -40.4831 -40.4831 -40.3479 -40.3479 -40.3472 -40.3472 -29.7591 -29.7591 -12.5692 -12.5692 -11.4705 -11.4705 -11.3832 -11.3832 -4.0942 -4.0942 -3.9762 -3.9762 2.7462 2.7462 2.8247 2.8247 4.4317 4.4317 4.4587 4.4587 4.6567 4.6567 4.6924 4.6924 7.9264 7.9264 8.0046 8.0046 8.0076 8.0076 8.7339 8.7339 k = 0.5000-0.8561-0.5184 ( 14746 PWs) bands (ev): -40.4957 -40.4957 -40.4881 -40.4881 -40.3505 -40.3505 -40.3495 -40.3495 -29.7488 -29.7488 -12.6234 -12.6234 -11.5390 -11.5390 -11.4439 -11.4439 -3.7726 -3.7726 -3.5572 -3.5572 2.1502 2.1502 2.2837 2.2837 3.2525 3.2525 3.3036 3.3036 3.7671 3.7671 4.0749 4.0749 6.5830 6.5830 7.4325 7.4325 8.7934 8.7934 9.2155 9.2155 k = 0.5226-0.8464-0.5125 ( 14760 PWs) bands (ev): -40.4957 -40.4957 -40.4882 -40.4882 -40.3505 -40.3505 -40.3495 -40.3495 -29.7488 -29.7488 -12.6234 -12.6234 -11.5390 -11.5390 -11.4439 -11.4439 -3.7724 -3.7724 -3.5574 -3.5574 2.1417 2.1417 2.2917 2.2917 3.2549 3.2549 3.3046 3.3046 3.7675 3.7675 4.0737 4.0737 6.5795 6.5795 7.4286 7.4286 8.7869 8.7869 9.2185 9.2185 k = 0.5452-0.8367-0.5067 ( 14758 PWs) bands (ev): -40.4957 -40.4957 -40.4881 -40.4881 -40.3505 -40.3505 -40.3495 -40.3495 -29.7488 -29.7488 -12.6234 -12.6234 -11.5389 -11.5389 -11.4439 -11.4439 -3.7718 -3.7718 -3.5582 -3.5582 2.1204 2.1204 2.3111 2.3111 3.2622 3.2622 3.3074 3.3074 3.7687 3.7687 4.0700 4.0700 6.5689 6.5689 7.4174 7.4174 8.7681 8.7681 9.2274 9.2274 k = 0.5679-0.8271-0.5008 ( 14764 PWs) bands (ev): -40.4957 -40.4957 -40.4881 -40.4881 -40.3505 -40.3505 -40.3495 -40.3495 -29.7488 -29.7488 -12.6234 -12.6234 -11.5389 -11.5389 -11.4439 -11.4439 -3.7707 -3.7707 -3.5594 -3.5594 2.0930 2.0930 2.3355 2.3355 3.2741 3.2741 3.3121 3.3121 3.7707 3.7707 4.0638 4.0638 6.5513 6.5513 7.4000 7.4000 8.7391 8.7391 9.2421 9.2421 k = 0.5905-0.8174-0.4950 ( 14757 PWs) bands (ev): -40.4957 -40.4957 -40.4881 -40.4881 -40.3505 -40.3505 -40.3495 -40.3495 -29.7488 -29.7488 -12.6234 -12.6234 -11.5389 -11.5389 -11.4439 -11.4439 -3.7693 -3.7693 -3.5611 -3.5611 2.0632 2.0632 2.3612 2.3612 3.2899 3.2899 3.3194 3.3194 3.7735 3.7735 4.0554 4.0554 6.5265 6.5265 7.3779 7.3779 8.7022 8.7022 9.2625 9.2625 k = 0.6131-0.8077-0.4891 ( 14757 PWs) bands (ev): -40.4957 -40.4957 -40.4881 -40.4881 -40.3505 -40.3505 -40.3495 -40.3495 -29.7488 -29.7488 -12.6234 -12.6234 -11.5389 -11.5389 -11.4439 -11.4439 -3.7675 -3.7675 -3.5633 -3.5633 2.0326 2.0326 2.3865 2.3865 3.3079 3.3079 3.3305 3.3305 3.7770 3.7770 4.0447 4.0447 6.4948 6.4948 7.3529 7.3529 8.6598 8.6598 9.2885 9.2885 k = 0.6357-0.7981-0.4833 ( 14757 PWs) bands (ev): -40.4957 -40.4957 -40.4881 -40.4881 -40.3505 -40.3505 -40.3495 -40.3495 -29.7488 -29.7488 -12.6233 -12.6233 -11.5388 -11.5388 -11.4439 -11.4439 -3.7653 -3.7653 -3.5659 -3.5659 2.0023 2.0023 2.4107 2.4107 3.3241 3.3241 3.3489 3.3489 3.7812 3.7812 4.0319 4.0319 6.4565 6.4565 7.3267 7.3267 8.6138 8.6138 9.3198 9.3198 k = 0.6583-0.7884-0.4774 ( 14764 PWs) bands (ev): -40.4957 -40.4957 -40.4881 -40.4881 -40.3505 -40.3505 -40.3495 -40.3495 -29.7488 -29.7488 -12.6233 -12.6233 -11.5388 -11.5388 -11.4439 -11.4439 -3.7627 -3.7627 -3.5690 -3.5690 1.9729 1.9729 2.4333 2.4333 3.3376 3.3376 3.3752 3.3752 3.7861 3.7861 4.0173 4.0173 6.4122 6.4122 7.3008 7.3008 8.5659 8.5659 9.3561 9.3561 k = 0.6809-0.7787-0.4716 ( 14770 PWs) bands (ev): -40.4957 -40.4957 -40.4881 -40.4881 -40.3505 -40.3505 -40.3495 -40.3495 -29.7488 -29.7488 -12.6233 -12.6233 -11.5387 -11.5387 -11.4439 -11.4439 -3.7598 -3.7598 -3.5726 -3.5726 1.9449 1.9449 2.4540 2.4540 3.3508 3.3508 3.4061 3.4061 3.7915 3.7915 4.0009 4.0009 6.3629 6.3629 7.2762 7.2762 8.5171 8.5171 9.3971 9.3971 k = 0.7036-0.7691-0.4657 ( 14772 PWs) bands (ev): -40.4957 -40.4957 -40.4881 -40.4881 -40.3505 -40.3505 -40.3495 -40.3495 -29.7488 -29.7488 -12.6233 -12.6233 -11.5387 -11.5387 -11.4439 -11.4439 -3.7565 -3.7565 -3.5765 -3.5765 1.9184 1.9184 2.4729 2.4729 3.3646 3.3646 3.4399 3.4399 3.7974 3.7974 3.9831 3.9831 6.3096 6.3096 7.2534 7.2534 8.4686 8.4686 9.4425 9.4425 k = 0.7262-0.7594-0.4599 ( 14778 PWs) bands (ev): -40.4957 -40.4957 -40.4881 -40.4881 -40.3505 -40.3505 -40.3495 -40.3495 -29.7488 -29.7488 -12.6232 -12.6232 -11.5386 -11.5386 -11.4439 -11.4439 -3.7529 -3.7529 -3.5809 -3.5809 1.8939 1.8939 2.4900 2.4900 3.3793 3.3793 3.4753 3.4753 3.8038 3.8038 3.9641 3.9641 6.2540 6.2540 7.2330 7.2330 8.4211 8.4211 9.4917 9.4917 k = 0.7488-0.7497-0.4540 ( 14776 PWs) bands (ev): -40.4957 -40.4957 -40.4881 -40.4881 -40.3505 -40.3505 -40.3495 -40.3495 -29.7488 -29.7488 -12.6232 -12.6232 -11.5385 -11.5385 -11.4439 -11.4439 -3.7490 -3.7490 -3.5856 -3.5856 1.8714 1.8714 2.5054 2.5054 3.3950 3.3950 3.5113 3.5113 3.8103 3.8103 3.9441 3.9441 6.1975 6.1975 7.2149 7.2149 8.3753 8.3753 9.5442 9.5442 k = 0.7714-0.7401-0.4482 ( 14775 PWs) bands (ev): -40.4958 -40.4958 -40.4881 -40.4881 -40.3505 -40.3505 -40.3495 -40.3495 -29.7489 -29.7489 -12.6231 -12.6231 -11.5384 -11.5384 -11.4439 -11.4439 -3.7448 -3.7448 -3.5907 -3.5907 1.8512 1.8512 2.5191 2.5191 3.4115 3.4115 3.5469 3.5469 3.8167 3.8167 3.9237 3.9237 6.1419 6.1419 7.1991 7.1991 8.3316 8.3316 9.5992 9.5992 k = 0.7940-0.7304-0.4423 ( 14768 PWs) bands (ev): -40.4958 -40.4958 -40.4881 -40.4881 -40.3505 -40.3505 -40.3495 -40.3495 -29.7489 -29.7489 -12.6231 -12.6231 -11.5384 -11.5384 -11.4438 -11.4438 -3.7403 -3.7403 -3.5961 -3.5961 1.8334 1.8334 2.5314 2.5314 3.4286 3.4286 3.5811 3.5811 3.8226 3.8226 3.9031 3.9031 6.0890 6.0890 7.1854 7.1854 8.2906 8.2906 9.6559 9.6559 k = 0.8166-0.7207-0.4365 ( 14771 PWs) bands (ev): -40.4958 -40.4958 -40.4881 -40.4881 -40.3505 -40.3505 -40.3495 -40.3495 -29.7489 -29.7489 -12.6230 -12.6230 -11.5383 -11.5383 -11.4438 -11.4438 -3.7357 -3.7357 -3.6017 -3.6017 1.8181 1.8181 2.5424 2.5424 3.4461 3.4461 3.6129 3.6129 3.8273 3.8273 3.8832 3.8832 6.0405 6.0405 7.1736 7.1736 8.2527 8.2527 9.7130 9.7130 Writing output data file SrxLi2Px2.save init_run : 0.58s CPU 1.37s WALL ( 1 calls) electrons : 560.99s CPU 563.51s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.08s CPU 0.17s WALL ( 1 calls) Called by electrons: c_bands : 560.98s CPU 563.50s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.11s CPU 0.16s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.12s CPU 0.21s WALL ( 285 calls) cegterg : 485.06s CPU 486.77s WALL ( 439 calls) Called by sum_band: Called by *egterg: h_psi : 478.47s CPU 480.09s WALL ( 6798 calls) s_psi : 8.06s CPU 7.92s WALL ( 6798 calls) g_psi : 0.58s CPU 0.57s WALL ( 6074 calls) cdiaghg : 34.38s CPU 34.95s WALL ( 6359 calls) cegterg:over : 10.36s CPU 10.50s WALL ( 6074 calls) cegterg:upda : 12.51s CPU 12.35s WALL ( 6074 calls) cegterg:last : 5.34s CPU 5.30s WALL ( 1134 calls) cdiaghg:chol : 2.05s CPU 2.09s WALL ( 6359 calls) cdiaghg:inve : 1.05s CPU 1.11s WALL ( 6359 calls) cdiaghg:para : 2.07s CPU 2.06s WALL ( 12718 calls) Called by h_psi: h_psi:vloc : 459.53s CPU 461.03s WALL ( 6798 calls) h_psi:vnl : 18.30s CPU 18.40s WALL ( 6798 calls) add_vuspsi : 8.38s CPU 8.53s WALL ( 6798 calls) General routines calbec : 9.87s CPU 9.85s WALL ( 6798 calls) fft : 0.01s CPU 0.02s WALL ( 15 calls) fftw : 432.32s CPU 434.21s WALL ( 580852 calls) davcio : 0.34s CPU 0.47s WALL ( 570 calls) Parallel routines fft_scatter : 73.28s CPU 73.09s WALL ( 580867 calls) PWSCF : 9m47.84s CPU 10m12.35s WALL This run was terminated on: 20:15: 4 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=