Program PWSCF v.5.4.0 starts on 22Mar2017 at 8:58:43 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 & OpenMP), running on 144 processor cores Number of MPI processes: 72 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 72 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./LiGe.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 108 108 30 2530 2530 374 Max 109 109 31 2532 2532 376 Sum 7805 7805 2181 182243 182243 27007 bravais-lattice index = 14 lattice parameter (alat) = 22.6551 a.u. unit-cell volume = 1290.3828 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 2 number of electrons = 42.00 number of Kohn-Sham states= 50 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)= 22.655118 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.942857 celldm(5)= -0.942857 celldm(6)= 0.885713 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.885713 0.464233 0.000000 ) a(3) = ( -0.942857 -0.232117 0.239047 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.907905 2.091638 ) b(2) = ( 0.000000 2.154090 2.091638 ) b(3) = ( 0.000000 0.000000 4.183277 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) Li 3.00 6.94100 Li( 1.00) 4 Sym. Ops., with inversion, found ( 3 have fractional translation) 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 = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 1 1 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 -0.0000000 0.0000000 ) f =( -0.0571435 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2321166 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) ( -1 -1 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) f =( 0.4428565 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2321166 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 312 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 2) = ( 0.0000000 0.0000000 0.0380298), wk = 0.0032051 k( 3) = ( 0.0000000 0.0000000 0.0760596), wk = 0.0032051 k( 4) = ( 0.0000000 0.0000000 0.1140894), wk = 0.0032051 k( 5) = ( 0.0000000 0.0000000 0.1521192), wk = 0.0032051 k( 6) = ( 0.0000000 0.0000000 0.1901490), wk = 0.0032051 k( 7) = ( 0.0000000 0.0000000 0.2281787), wk = 0.0032051 k( 8) = ( 0.0000000 0.0000000 0.2662085), wk = 0.0032051 k( 9) = ( 0.0000000 0.0000000 0.3042383), wk = 0.0032051 k( 10) = ( 0.0000000 0.0000000 0.3422681), wk = 0.0032051 k( 11) = ( 0.0000000 0.0000000 0.3802979), wk = 0.0032051 k( 12) = ( 0.0000000 0.0000000 0.4183277), wk = 0.0032051 k( 13) = ( 0.0000000 0.0000000 0.4563575), wk = 0.0032051 k( 14) = ( 0.0000000 0.0000000 0.4943873), wk = 0.0032051 k( 15) = ( 0.0000000 0.0000000 0.5324171), wk = 0.0032051 k( 16) = ( 0.0000000 0.0000000 0.5704468), wk = 0.0032051 k( 17) = ( 0.0000000 0.0000000 0.6084766), wk = 0.0032051 k( 18) = ( 0.0000000 0.0000000 0.6465064), wk = 0.0032051 k( 19) = ( 0.0000000 0.0000000 0.6845362), wk = 0.0032051 k( 20) = ( 0.0000000 0.0000000 0.7225660), wk = 0.0032051 k( 21) = ( 0.0000000 0.0000000 0.7605958), wk = 0.0032051 k( 22) = ( 0.0000000 0.0000000 0.7986256), wk = 0.0032051 k( 23) = ( 0.0000000 0.0000000 0.8366554), wk = 0.0032051 k( 24) = ( 0.0000000 0.0000000 0.8746851), wk = 0.0032051 k( 25) = ( 0.0000000 0.0000000 0.9127149), wk = 0.0032051 k( 26) = ( 0.0000000 0.0000000 0.9507447), wk = 0.0032051 k( 27) = ( 0.0000000 0.0000000 0.9887745), wk = 0.0032051 k( 28) = ( 0.0000000 0.0000000 1.0268043), wk = 0.0032051 k( 29) = ( 0.0000000 0.0000000 1.0648341), wk = 0.0032051 k( 30) = ( 0.0000000 0.0000000 1.1028639), wk = 0.0032051 k( 31) = ( 0.0000000 0.0000000 1.1408937), wk = 0.0032051 k( 32) = ( 0.0000000 0.0000000 1.1789234), wk = 0.0032051 k( 33) = ( 0.0000000 0.0000000 1.2169532), wk = 0.0032051 k( 34) = ( 0.0000000 0.0000000 1.2549830), wk = 0.0032051 k( 35) = ( 0.0000000 0.0000000 1.2930128), wk = 0.0032051 k( 36) = ( 0.0000000 0.0000000 1.3310426), wk = 0.0032051 k( 37) = ( 0.0000000 0.0000000 1.3690724), wk = 0.0032051 k( 38) = ( 0.0000000 0.0000000 1.4071022), wk = 0.0032051 k( 39) = ( 0.0000000 0.0000000 1.4451320), wk = 0.0032051 k( 40) = ( 0.0000000 0.0000000 1.4831617), wk = 0.0032051 k( 41) = ( 0.0000000 0.0000000 1.5211915), wk = 0.0032051 k( 42) = ( 0.0000000 0.0000000 1.5592213), wk = 0.0032051 k( 43) = ( 0.0000000 0.0000000 1.5972511), wk = 0.0032051 k( 44) = ( 0.0000000 0.0000000 1.6352809), wk = 0.0032051 k( 45) = ( 0.0000000 0.0000000 1.6733107), wk = 0.0032051 k( 46) = ( 0.0000000 0.0000000 1.7113405), wk = 0.0032051 k( 47) = ( 0.0000000 0.0000000 1.7493703), wk = 0.0032051 k( 48) = ( 0.0000000 0.0000000 1.7874001), wk = 0.0032051 k( 49) = ( 0.0000000 0.0000000 1.8254299), wk = 0.0032051 k( 50) = ( 0.0000000 0.0000000 1.8634597), wk = 0.0032051 k( 51) = ( 0.0000000 0.0000000 1.9014894), wk = 0.0032051 k( 52) = ( 0.0000000 0.0000000 1.9395192), wk = 0.0032051 k( 53) = ( 0.0000000 0.0000000 1.9775490), wk = 0.0032051 k( 54) = ( 0.0000000 0.0000000 2.0155788), wk = 0.0032051 k( 55) = ( 0.0000000 0.0000000 2.0536086), wk = 0.0032051 k( 56) = ( 0.0000000 0.0000000 2.0916384), wk = 0.0032051 k( 57) = ( 0.0000000 0.0000000 2.0916384), wk = 0.0032051 k( 58) = ( -0.0075759 0.0307731 2.0916384), wk = 0.0032051 k( 59) = ( -0.0151517 0.0615461 2.0916384), wk = 0.0032051 k( 60) = ( -0.0151517 0.0615461 2.0916384), wk = 0.0032051 k( 61) = ( -0.0215313 0.0874600 2.0649508), wk = 0.0032051 k( 62) = ( -0.0279109 0.1133738 2.0382632), wk = 0.0032051 k( 63) = ( -0.0342904 0.1392876 2.0115757), wk = 0.0032051 k( 64) = ( -0.0406700 0.1652015 1.9848881), wk = 0.0032051 k( 65) = ( -0.0470496 0.1911153 1.9582006), wk = 0.0032051 k( 66) = ( -0.0534292 0.2170291 1.9315130), wk = 0.0032051 k( 67) = ( -0.0598088 0.2429430 1.9048255), wk = 0.0032051 k( 68) = ( -0.0661884 0.2688568 1.8781379), wk = 0.0032051 k( 69) = ( -0.0725679 0.2947706 1.8514503), wk = 0.0032051 k( 70) = ( -0.0789475 0.3206844 1.8247628), wk = 0.0032051 k( 71) = ( -0.0853271 0.3465983 1.7980752), wk = 0.0032051 k( 72) = ( -0.0917067 0.3725121 1.7713876), wk = 0.0032051 k( 73) = ( -0.0980863 0.3984260 1.7447001), wk = 0.0032051 k( 74) = ( -0.1044659 0.4243398 1.7180125), wk = 0.0032051 k( 75) = ( -0.1108454 0.4502536 1.6913250), wk = 0.0032051 k( 76) = ( -0.1172250 0.4761675 1.6646374), wk = 0.0032051 k( 77) = ( -0.1236046 0.5020813 1.6379498), wk = 0.0032051 k( 78) = ( -0.1299842 0.5279951 1.6112623), wk = 0.0032051 k( 79) = ( -0.1363638 0.5539090 1.5845747), wk = 0.0032051 k( 80) = ( -0.1427433 0.5798228 1.5578872), wk = 0.0032051 k( 81) = ( -0.1491229 0.6057367 1.5311996), wk = 0.0032051 k( 82) = ( -0.1555025 0.6316505 1.5045120), wk = 0.0032051 k( 83) = ( -0.1618821 0.6575643 1.4778245), wk = 0.0032051 k( 84) = ( -0.1682617 0.6834782 1.4511369), wk = 0.0032051 k( 85) = ( -0.1746413 0.7093920 1.4244494), wk = 0.0032051 k( 86) = ( -0.1810209 0.7353058 1.3977618), wk = 0.0032051 k( 87) = ( -0.1874004 0.7612196 1.3710742), wk = 0.0032051 k( 88) = ( -0.1937800 0.7871335 1.3443867), wk = 0.0032051 k( 89) = ( -0.2001596 0.8130473 1.3176991), wk = 0.0032051 k( 90) = ( -0.2065392 0.8389611 1.2910115), wk = 0.0032051 k( 91) = ( -0.2129188 0.8648750 1.2643240), wk = 0.0032051 k( 92) = ( -0.2192984 0.8907888 1.2376364), wk = 0.0032051 k( 93) = ( -0.2256779 0.9167027 1.2109489), wk = 0.0032051 k( 94) = ( -0.2320575 0.9426165 1.1842613), wk = 0.0032051 k( 95) = ( -0.2384371 0.9685303 1.1575738), wk = 0.0032051 k( 96) = ( -0.2448167 0.9944442 1.1308862), wk = 0.0032051 k( 97) = ( -0.2511963 1.0203580 1.1041986), wk = 0.0032051 k( 98) = ( -0.2575758 1.0462718 1.0775111), wk = 0.0032051 k( 99) = ( -0.2575758 1.0462718 1.0775111), wk = 0.0032051 k( 100) = ( -0.2511365 1.0201150 1.0505733), wk = 0.0032051 k( 101) = ( -0.2446970 0.9939582 1.0236355), wk = 0.0032051 k( 102) = ( -0.2382577 0.9678015 0.9966977), wk = 0.0032051 k( 103) = ( -0.2318183 0.9416446 0.9697599), wk = 0.0032051 k( 104) = ( -0.2253789 0.9154879 0.9428222), wk = 0.0032051 k( 105) = ( -0.2189395 0.8893311 0.9158844), wk = 0.0032051 k( 106) = ( -0.2125001 0.8631743 0.8889466), wk = 0.0032051 k( 107) = ( -0.2060607 0.8370175 0.8620089), wk = 0.0032051 k( 108) = ( -0.1996213 0.8108607 0.8350711), wk = 0.0032051 k( 109) = ( -0.1931819 0.7847039 0.8081333), wk = 0.0032051 k( 110) = ( -0.1867425 0.7585471 0.7811955), wk = 0.0032051 k( 111) = ( -0.1803031 0.7323903 0.7542577), wk = 0.0032051 k( 112) = ( -0.1738637 0.7062335 0.7273200), wk = 0.0032051 k( 113) = ( -0.1674243 0.6800767 0.7003822), wk = 0.0032051 k( 114) = ( -0.1609849 0.6539199 0.6734444), wk = 0.0032051 k( 115) = ( -0.1545455 0.6277631 0.6465066), wk = 0.0032051 k( 116) = ( -0.1481061 0.6016063 0.6195688), wk = 0.0032051 k( 117) = ( -0.1416667 0.5754495 0.5926311), wk = 0.0032051 k( 118) = ( -0.1352273 0.5492927 0.5656933), wk = 0.0032051 k( 119) = ( -0.1287879 0.5231359 0.5387555), wk = 0.0032051 k( 120) = ( -0.1223485 0.4969791 0.5118178), wk = 0.0032051 k( 121) = ( -0.1159091 0.4708223 0.4848800), wk = 0.0032051 k( 122) = ( -0.1094697 0.4446656 0.4579422), wk = 0.0032051 k( 123) = ( -0.1030303 0.4185087 0.4310044), wk = 0.0032051 k( 124) = ( -0.0965909 0.3923519 0.4040666), wk = 0.0032051 k( 125) = ( -0.0901515 0.3661952 0.3771289), wk = 0.0032051 k( 126) = ( -0.0837121 0.3400383 0.3501911), wk = 0.0032051 k( 127) = ( -0.0772728 0.3138815 0.3232533), wk = 0.0032051 k( 128) = ( -0.0708334 0.2877248 0.2963155), wk = 0.0032051 k( 129) = ( -0.0643940 0.2615680 0.2693778), wk = 0.0032051 k( 130) = ( -0.0579546 0.2354112 0.2424400), wk = 0.0032051 k( 131) = ( -0.0515152 0.2092544 0.2155022), wk = 0.0032051 k( 132) = ( -0.0450758 0.1830976 0.1885644), wk = 0.0032051 k( 133) = ( -0.0386364 0.1569408 0.1616267), wk = 0.0032051 k( 134) = ( -0.0321970 0.1307840 0.1346889), wk = 0.0032051 k( 135) = ( -0.0257576 0.1046272 0.1077511), wk = 0.0032051 k( 136) = ( -0.0193182 0.0784704 0.0808133), wk = 0.0032051 k( 137) = ( -0.0128788 0.0523136 0.0538755), wk = 0.0032051 k( 138) = ( -0.0064394 0.0261568 0.0269378), wk = 0.0032051 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 141) = ( 0.0357143 0.0087923 0.0000000), wk = 0.0032051 k( 142) = ( 0.0714286 0.0175846 0.0000000), wk = 0.0032051 k( 143) = ( 0.1071429 0.0263769 0.0000000), wk = 0.0032051 k( 144) = ( 0.1428571 0.0351692 0.0000000), wk = 0.0032051 k( 145) = ( 0.1785714 0.0439615 0.0000000), wk = 0.0032051 k( 146) = ( 0.2142857 0.0527538 0.0000000), wk = 0.0032051 k( 147) = ( 0.2500000 0.0615461 0.0000000), wk = 0.0032051 k( 148) = ( 0.2857143 0.0703384 0.0000000), wk = 0.0032051 k( 149) = ( 0.3214286 0.0791307 0.0000000), wk = 0.0032051 k( 150) = ( 0.3571429 0.0879230 0.0000000), wk = 0.0032051 k( 151) = ( 0.3928571 0.0967153 0.0000000), wk = 0.0032051 k( 152) = ( 0.4285714 0.1055076 0.0000000), wk = 0.0032051 k( 153) = ( 0.4642857 0.1142999 0.0000000), wk = 0.0032051 k( 154) = ( 0.5000000 0.1230922 0.0000000), wk = 0.0032051 k( 155) = ( 0.5000000 0.1230922 0.0000000), wk = 0.0032051 k( 156) = ( 0.4936204 0.1490060 0.0266875), wk = 0.0032051 k( 157) = ( 0.4872408 0.1749199 0.0533751), wk = 0.0032051 k( 158) = ( 0.4808613 0.2008337 0.0800627), wk = 0.0032051 k( 159) = ( 0.4744817 0.2267476 0.1067502), wk = 0.0032051 k( 160) = ( 0.4681021 0.2526614 0.1334378), wk = 0.0032051 k( 161) = ( 0.4617225 0.2785752 0.1601254), wk = 0.0032051 k( 162) = ( 0.4553429 0.3044891 0.1868129), wk = 0.0032051 k( 163) = ( 0.4489633 0.3304029 0.2135005), wk = 0.0032051 k( 164) = ( 0.4425837 0.3563167 0.2401881), wk = 0.0032051 k( 165) = ( 0.4362042 0.3822306 0.2668756), wk = 0.0032051 k( 166) = ( 0.4298246 0.4081444 0.2935632), wk = 0.0032051 k( 167) = ( 0.4234450 0.4340583 0.3202508), wk = 0.0032051 k( 168) = ( 0.4170654 0.4599721 0.3469383), wk = 0.0032051 k( 169) = ( 0.4106858 0.4858859 0.3736259), wk = 0.0032051 k( 170) = ( 0.4043063 0.5117997 0.4003134), wk = 0.0032051 k( 171) = ( 0.3979267 0.5377136 0.4270010), wk = 0.0032051 k( 172) = ( 0.3915471 0.5636274 0.4536885), wk = 0.0032051 k( 173) = ( 0.3851675 0.5895412 0.4803761), wk = 0.0032051 k( 174) = ( 0.3787879 0.6154551 0.5070637), wk = 0.0032051 k( 175) = ( 0.3724083 0.6413689 0.5337512), wk = 0.0032051 k( 176) = ( 0.3660288 0.6672827 0.5604388), wk = 0.0032051 k( 177) = ( 0.3596492 0.6931966 0.5871264), wk = 0.0032051 k( 178) = ( 0.3532696 0.7191104 0.6138139), wk = 0.0032051 k( 179) = ( 0.3468900 0.7450243 0.6405015), wk = 0.0032051 k( 180) = ( 0.3405104 0.7709381 0.6671890), wk = 0.0032051 k( 181) = ( 0.3341308 0.7968519 0.6938766), wk = 0.0032051 k( 182) = ( 0.3277513 0.8227658 0.7205642), wk = 0.0032051 k( 183) = ( 0.3213717 0.8486796 0.7472517), wk = 0.0032051 k( 184) = ( 0.3149921 0.8745935 0.7739393), wk = 0.0032051 k( 185) = ( 0.3086125 0.9005073 0.8006268), wk = 0.0032051 k( 186) = ( 0.3022329 0.9264211 0.8273144), wk = 0.0032051 k( 187) = ( 0.2958534 0.9523349 0.8540019), wk = 0.0032051 k( 188) = ( 0.2894738 0.9782488 0.8806895), wk = 0.0032051 k( 189) = ( 0.2830942 1.0041626 0.9073771), wk = 0.0032051 k( 190) = ( 0.2767146 1.0300764 0.9340646), wk = 0.0032051 k( 191) = ( 0.2703350 1.0559903 0.9607522), wk = 0.0032051 k( 192) = ( 0.2639554 1.0819041 0.9874398), wk = 0.0032051 k( 193) = ( 0.2575758 1.1078179 1.0141273), wk = 0.0032051 k( 194) = ( 0.2575758 1.1078179 1.0141273), wk = 0.0032051 k( 195) = ( 0.2207793 1.1034218 1.0186547), wk = 0.0032051 k( 196) = ( 0.1839828 1.0990256 1.0231821), wk = 0.0032051 k( 197) = ( 0.1471862 1.0946295 1.0277096), wk = 0.0032051 k( 198) = ( 0.1103897 1.0902334 1.0322370), wk = 0.0032051 k( 199) = ( 0.0735931 1.0858372 1.0367644), wk = 0.0032051 k( 200) = ( 0.0367965 1.0814410 1.0412918), wk = 0.0032051 k( 201) = ( 0.0000000 1.0770449 1.0458192), wk = 0.0032051 k( 202) = ( 0.0000000 1.0770449 1.0458192), wk = 0.0032051 k( 203) = ( 0.0064103 1.0510064 1.0726351), wk = 0.0032051 k( 204) = ( 0.0128205 1.0249680 1.0994509), wk = 0.0032051 k( 205) = ( 0.0192308 0.9989296 1.1262668), wk = 0.0032051 k( 206) = ( 0.0256410 0.9728912 1.1530827), wk = 0.0032051 k( 207) = ( 0.0320513 0.9468528 1.1798986), wk = 0.0032051 k( 208) = ( 0.0384615 0.9208143 1.2067145), wk = 0.0032051 k( 209) = ( 0.0448718 0.8947759 1.2335303), wk = 0.0032051 k( 210) = ( 0.0512821 0.8687375 1.2603462), wk = 0.0032051 k( 211) = ( 0.0576923 0.8426990 1.2871621), wk = 0.0032051 k( 212) = ( 0.0641026 0.8166606 1.3139779), wk = 0.0032051 k( 213) = ( 0.0705128 0.7906222 1.3407938), wk = 0.0032051 k( 214) = ( 0.0769231 0.7645837 1.3676097), wk = 0.0032051 k( 215) = ( 0.0833333 0.7385453 1.3944256), wk = 0.0032051 k( 216) = ( 0.0897436 0.7125069 1.4212415), wk = 0.0032051 k( 217) = ( 0.0961538 0.6864684 1.4480574), wk = 0.0032051 k( 218) = ( 0.1025641 0.6604300 1.4748732), wk = 0.0032051 k( 219) = ( 0.1089744 0.6343916 1.5016891), wk = 0.0032051 k( 220) = ( 0.1153846 0.6083531 1.5285050), wk = 0.0032051 k( 221) = ( 0.1217949 0.5823147 1.5553208), wk = 0.0032051 k( 222) = ( 0.1282051 0.5562763 1.5821367), wk = 0.0032051 k( 223) = ( 0.1346154 0.5302379 1.6089526), wk = 0.0032051 k( 224) = ( 0.1410256 0.5041994 1.6357685), wk = 0.0032051 k( 225) = ( 0.1474359 0.4781610 1.6625844), wk = 0.0032051 k( 226) = ( 0.1538461 0.4521226 1.6894002), wk = 0.0032051 k( 227) = ( 0.1602564 0.4260841 1.7162161), wk = 0.0032051 k( 228) = ( 0.1666667 0.4000457 1.7430320), wk = 0.0032051 k( 229) = ( 0.1730769 0.3740073 1.7698478), wk = 0.0032051 k( 230) = ( 0.1794872 0.3479688 1.7966637), wk = 0.0032051 k( 231) = ( 0.1858974 0.3219304 1.8234796), wk = 0.0032051 k( 232) = ( 0.1923077 0.2958920 1.8502955), wk = 0.0032051 k( 233) = ( 0.1987180 0.2698535 1.8771114), wk = 0.0032051 k( 234) = ( 0.2051282 0.2438151 1.9039273), wk = 0.0032051 k( 235) = ( 0.2115385 0.2177767 1.9307431), wk = 0.0032051 k( 236) = ( 0.2179487 0.1917383 1.9575590), wk = 0.0032051 k( 237) = ( 0.2243590 0.1656998 1.9843749), wk = 0.0032051 k( 238) = ( 0.2307692 0.1396614 2.0111907), wk = 0.0032051 k( 239) = ( 0.2371795 0.1136230 2.0380066), wk = 0.0032051 k( 240) = ( 0.2435897 0.0875846 2.0648225), wk = 0.0032051 k( 241) = ( 0.2500000 0.0615461 2.0916384), wk = 0.0032051 k( 242) = ( 0.2500000 0.0615461 2.0916384), wk = 0.0032051 k( 243) = ( 0.2857143 0.0703384 2.0825836), wk = 0.0032051 k( 244) = ( 0.3214286 0.0791307 2.0735287), wk = 0.0032051 k( 245) = ( 0.3571429 0.0879230 2.0644739), wk = 0.0032051 k( 246) = ( 0.3928571 0.0967153 2.0554191), wk = 0.0032051 k( 247) = ( 0.4285714 0.1055076 2.0463643), wk = 0.0032051 k( 248) = ( 0.4642857 0.1142999 2.0373095), wk = 0.0032051 k( 249) = ( 0.5000000 0.1230922 2.0282547), wk = 0.0032051 k( 250) = ( 0.5000000 0.1230922 2.0282547), wk = 0.0032051 k( 251) = ( 0.5000000 0.1230922 1.9906944), wk = 0.0032051 k( 252) = ( 0.5000000 0.1230922 1.9531341), wk = 0.0032051 k( 253) = ( 0.5000000 0.1230922 1.9155738), wk = 0.0032051 k( 254) = ( 0.5000000 0.1230922 1.8780136), wk = 0.0032051 k( 255) = ( 0.5000000 0.1230922 1.8404533), wk = 0.0032051 k( 256) = ( 0.5000000 0.1230922 1.8028930), wk = 0.0032051 k( 257) = ( 0.5000000 0.1230922 1.7653328), wk = 0.0032051 k( 258) = ( 0.5000000 0.1230922 1.7277725), wk = 0.0032051 k( 259) = ( 0.5000000 0.1230922 1.6902122), wk = 0.0032051 k( 260) = ( 0.5000000 0.1230922 1.6526519), wk = 0.0032051 k( 261) = ( 0.5000000 0.1230922 1.6150917), wk = 0.0032051 k( 262) = ( 0.5000000 0.1230922 1.5775314), wk = 0.0032051 k( 263) = ( 0.5000000 0.1230922 1.5399711), wk = 0.0032051 k( 264) = ( 0.5000000 0.1230922 1.5024108), wk = 0.0032051 k( 265) = ( 0.5000000 0.1230922 1.4648506), wk = 0.0032051 k( 266) = ( 0.5000000 0.1230922 1.4272903), wk = 0.0032051 k( 267) = ( 0.5000000 0.1230922 1.3897301), wk = 0.0032051 k( 268) = ( 0.5000000 0.1230922 1.3521698), wk = 0.0032051 k( 269) = ( 0.5000000 0.1230922 1.3146095), wk = 0.0032051 k( 270) = ( 0.5000000 0.1230922 1.2770492), wk = 0.0032051 k( 271) = ( 0.5000000 0.1230922 1.2394890), wk = 0.0032051 k( 272) = ( 0.5000000 0.1230922 1.2019287), wk = 0.0032051 k( 273) = ( 0.5000000 0.1230922 1.1643684), wk = 0.0032051 k( 274) = ( 0.5000000 0.1230922 1.1268081), wk = 0.0032051 k( 275) = ( 0.5000000 0.1230922 1.0892479), wk = 0.0032051 k( 276) = ( 0.5000000 0.1230922 1.0516876), wk = 0.0032051 k( 277) = ( 0.5000000 0.1230922 1.0141273), wk = 0.0032051 k( 278) = ( 0.5000000 0.1230922 0.9765671), wk = 0.0032051 k( 279) = ( 0.5000000 0.1230922 0.9390068), wk = 0.0032051 k( 280) = ( 0.5000000 0.1230922 0.9014465), wk = 0.0032051 k( 281) = ( 0.5000000 0.1230922 0.8638862), wk = 0.0032051 k( 282) = ( 0.5000000 0.1230922 0.8263260), wk = 0.0032051 k( 283) = ( 0.5000000 0.1230922 0.7887657), wk = 0.0032051 k( 284) = ( 0.5000000 0.1230922 0.7512054), wk = 0.0032051 k( 285) = ( 0.5000000 0.1230922 0.7136451), wk = 0.0032051 k( 286) = ( 0.5000000 0.1230922 0.6760849), wk = 0.0032051 k( 287) = ( 0.5000000 0.1230922 0.6385246), wk = 0.0032051 k( 288) = ( 0.5000000 0.1230922 0.6009644), wk = 0.0032051 k( 289) = ( 0.5000000 0.1230922 0.5634040), wk = 0.0032051 k( 290) = ( 0.5000000 0.1230922 0.5258438), wk = 0.0032051 k( 291) = ( 0.5000000 0.1230922 0.4882835), wk = 0.0032051 k( 292) = ( 0.5000000 0.1230922 0.4507233), wk = 0.0032051 k( 293) = ( 0.5000000 0.1230922 0.4131630), wk = 0.0032051 k( 294) = ( 0.5000000 0.1230922 0.3756027), wk = 0.0032051 k( 295) = ( 0.5000000 0.1230922 0.3380424), wk = 0.0032051 k( 296) = ( 0.5000000 0.1230922 0.3004822), wk = 0.0032051 k( 297) = ( 0.5000000 0.1230922 0.2629219), wk = 0.0032051 k( 298) = ( 0.5000000 0.1230922 0.2253616), wk = 0.0032051 k( 299) = ( 0.5000000 0.1230922 0.1878013), wk = 0.0032051 k( 300) = ( 0.5000000 0.1230922 0.1502411), wk = 0.0032051 k( 301) = ( 0.5000000 0.1230922 0.1126808), wk = 0.0032051 k( 302) = ( 0.5000000 0.1230922 0.0751205), wk = 0.0032051 k( 303) = ( 0.5000000 0.1230922 0.0375603), wk = 0.0032051 k( 304) = ( 0.5000000 0.1230922 0.0000000), wk = 0.0032051 k( 305) = ( 0.0000000 0.0000000 2.0916384), wk = 0.0032051 k( 306) = ( 0.0357143 0.0087923 2.0916384), wk = 0.0032051 k( 307) = ( 0.0714286 0.0175846 2.0916384), wk = 0.0032051 k( 308) = ( 0.1071429 0.0263769 2.0916384), wk = 0.0032051 k( 309) = ( 0.1428571 0.0351692 2.0916384), wk = 0.0032051 k( 310) = ( 0.1785714 0.0439615 2.0916384), wk = 0.0032051 k( 311) = ( 0.2142857 0.0527538 2.0916384), wk = 0.0032051 k( 312) = ( 0.2500000 0.0615461 2.0916384), wk = 0.0032051 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 2) = ( 0.0000000 0.0000000 0.0090909), wk = 0.0032051 k( 3) = ( 0.0000000 0.0000000 0.0181818), wk = 0.0032051 k( 4) = ( 0.0000000 0.0000000 0.0272727), wk = 0.0032051 k( 5) = ( 0.0000000 0.0000000 0.0363636), wk = 0.0032051 k( 6) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0032051 k( 7) = ( 0.0000000 0.0000000 0.0545455), wk = 0.0032051 k( 8) = ( 0.0000000 0.0000000 0.0636364), wk = 0.0032051 k( 9) = ( 0.0000000 0.0000000 0.0727273), wk = 0.0032051 k( 10) = ( 0.0000000 0.0000000 0.0818182), wk = 0.0032051 k( 11) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0032051 k( 12) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0032051 k( 13) = ( 0.0000000 0.0000000 0.1090909), wk = 0.0032051 k( 14) = ( 0.0000000 0.0000000 0.1181818), wk = 0.0032051 k( 15) = ( 0.0000000 0.0000000 0.1272727), wk = 0.0032051 k( 16) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0032051 k( 17) = ( 0.0000000 0.0000000 0.1454545), wk = 0.0032051 k( 18) = ( 0.0000000 0.0000000 0.1545455), wk = 0.0032051 k( 19) = ( 0.0000000 0.0000000 0.1636364), wk = 0.0032051 k( 20) = ( 0.0000000 0.0000000 0.1727273), wk = 0.0032051 k( 21) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0032051 k( 22) = ( 0.0000000 0.0000000 0.1909091), wk = 0.0032051 k( 23) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0032051 k( 24) = ( 0.0000000 0.0000000 0.2090909), wk = 0.0032051 k( 25) = ( 0.0000000 0.0000000 0.2181818), wk = 0.0032051 k( 26) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0032051 k( 27) = ( 0.0000000 0.0000000 0.2363636), wk = 0.0032051 k( 28) = ( 0.0000000 0.0000000 0.2454546), wk = 0.0032051 k( 29) = ( 0.0000000 0.0000000 0.2545455), wk = 0.0032051 k( 30) = ( 0.0000000 0.0000000 0.2636364), wk = 0.0032051 k( 31) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0032051 k( 32) = ( 0.0000000 0.0000000 0.2818182), wk = 0.0032051 k( 33) = ( 0.0000000 0.0000000 0.2909091), wk = 0.0032051 k( 34) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0032051 k( 35) = ( 0.0000000 0.0000000 0.3090909), wk = 0.0032051 k( 36) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0032051 k( 37) = ( 0.0000000 0.0000000 0.3272727), wk = 0.0032051 k( 38) = ( 0.0000000 0.0000000 0.3363636), wk = 0.0032051 k( 39) = ( 0.0000000 0.0000000 0.3454546), wk = 0.0032051 k( 40) = ( 0.0000000 0.0000000 0.3545454), wk = 0.0032051 k( 41) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0032051 k( 42) = ( 0.0000000 0.0000000 0.3727273), wk = 0.0032051 k( 43) = ( 0.0000000 0.0000000 0.3818182), wk = 0.0032051 k( 44) = ( 0.0000000 0.0000000 0.3909091), wk = 0.0032051 k( 45) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0032051 k( 46) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0032051 k( 47) = ( 0.0000000 0.0000000 0.4181818), wk = 0.0032051 k( 48) = ( 0.0000000 0.0000000 0.4272727), wk = 0.0032051 k( 49) = ( 0.0000000 0.0000000 0.4363636), wk = 0.0032051 k( 50) = ( 0.0000000 0.0000000 0.4454546), wk = 0.0032051 k( 51) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0032051 k( 52) = ( 0.0000000 0.0000000 0.4636364), wk = 0.0032051 k( 53) = ( 0.0000000 0.0000000 0.4727273), wk = 0.0032051 k( 54) = ( 0.0000000 0.0000000 0.4818182), wk = 0.0032051 k( 55) = ( 0.0000000 0.0000000 0.4909091), wk = 0.0032051 k( 56) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032051 k( 57) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032051 k( 58) = ( -0.0075759 0.0075758 0.5000000), wk = 0.0032051 k( 59) = ( -0.0151517 0.0151517 0.5000000), wk = 0.0032051 k( 60) = ( -0.0151517 0.0151517 0.5000000), wk = 0.0032051 k( 61) = ( -0.0215313 0.0215313 0.4936204), wk = 0.0032051 k( 62) = ( -0.0279109 0.0279109 0.4872408), wk = 0.0032051 k( 63) = ( -0.0342904 0.0342904 0.4808613), wk = 0.0032051 k( 64) = ( -0.0406700 0.0406700 0.4744817), wk = 0.0032051 k( 65) = ( -0.0470496 0.0470496 0.4681021), wk = 0.0032051 k( 66) = ( -0.0534292 0.0534292 0.4617225), wk = 0.0032051 k( 67) = ( -0.0598088 0.0598088 0.4553429), wk = 0.0032051 k( 68) = ( -0.0661884 0.0661884 0.4489633), wk = 0.0032051 k( 69) = ( -0.0725679 0.0725679 0.4425838), wk = 0.0032051 k( 70) = ( -0.0789475 0.0789475 0.4362042), wk = 0.0032051 k( 71) = ( -0.0853271 0.0853271 0.4298246), wk = 0.0032051 k( 72) = ( -0.0917067 0.0917067 0.4234450), wk = 0.0032051 k( 73) = ( -0.0980863 0.0980863 0.4170654), wk = 0.0032051 k( 74) = ( -0.1044659 0.1044659 0.4106858), wk = 0.0032051 k( 75) = ( -0.1108454 0.1108454 0.4043063), wk = 0.0032051 k( 76) = ( -0.1172250 0.1172250 0.3979267), wk = 0.0032051 k( 77) = ( -0.1236046 0.1236046 0.3915471), wk = 0.0032051 k( 78) = ( -0.1299842 0.1299842 0.3851675), wk = 0.0032051 k( 79) = ( -0.1363638 0.1363638 0.3787879), wk = 0.0032051 k( 80) = ( -0.1427433 0.1427433 0.3724083), wk = 0.0032051 k( 81) = ( -0.1491229 0.1491229 0.3660288), wk = 0.0032051 k( 82) = ( -0.1555025 0.1555025 0.3596492), wk = 0.0032051 k( 83) = ( -0.1618821 0.1618821 0.3532696), wk = 0.0032051 k( 84) = ( -0.1682617 0.1682617 0.3468900), wk = 0.0032051 k( 85) = ( -0.1746413 0.1746413 0.3405104), wk = 0.0032051 k( 86) = ( -0.1810209 0.1810208 0.3341308), wk = 0.0032051 k( 87) = ( -0.1874004 0.1874004 0.3277513), wk = 0.0032051 k( 88) = ( -0.1937800 0.1937800 0.3213717), wk = 0.0032051 k( 89) = ( -0.2001596 0.2001596 0.3149921), wk = 0.0032051 k( 90) = ( -0.2065392 0.2065392 0.3086125), wk = 0.0032051 k( 91) = ( -0.2129188 0.2129188 0.3022329), wk = 0.0032051 k( 92) = ( -0.2192984 0.2192983 0.2958534), wk = 0.0032051 k( 93) = ( -0.2256779 0.2256779 0.2894738), wk = 0.0032051 k( 94) = ( -0.2320575 0.2320575 0.2830942), wk = 0.0032051 k( 95) = ( -0.2384371 0.2384371 0.2767146), wk = 0.0032051 k( 96) = ( -0.2448167 0.2448167 0.2703350), wk = 0.0032051 k( 97) = ( -0.2511963 0.2511963 0.2639554), wk = 0.0032051 k( 98) = ( -0.2575758 0.2575758 0.2575759), wk = 0.0032051 k( 99) = ( -0.2575758 0.2575758 0.2575759), wk = 0.0032051 k( 100) = ( -0.2511365 0.2511364 0.2511365), wk = 0.0032051 k( 101) = ( -0.2446970 0.2446970 0.2446970), wk = 0.0032051 k( 102) = ( -0.2382577 0.2382577 0.2382577), wk = 0.0032051 k( 103) = ( -0.2318183 0.2318183 0.2318183), wk = 0.0032051 k( 104) = ( -0.2253789 0.2253789 0.2253789), wk = 0.0032051 k( 105) = ( -0.2189395 0.2189395 0.2189395), wk = 0.0032051 k( 106) = ( -0.2125001 0.2125001 0.2125001), wk = 0.0032051 k( 107) = ( -0.2060607 0.2060607 0.2060607), wk = 0.0032051 k( 108) = ( -0.1996213 0.1996213 0.1996213), wk = 0.0032051 k( 109) = ( -0.1931819 0.1931819 0.1931819), wk = 0.0032051 k( 110) = ( -0.1867425 0.1867425 0.1867425), wk = 0.0032051 k( 111) = ( -0.1803031 0.1803031 0.1803031), wk = 0.0032051 k( 112) = ( -0.1738637 0.1738637 0.1738637), wk = 0.0032051 k( 113) = ( -0.1674243 0.1674243 0.1674243), wk = 0.0032051 k( 114) = ( -0.1609849 0.1609849 0.1609849), wk = 0.0032051 k( 115) = ( -0.1545455 0.1545455 0.1545455), wk = 0.0032051 k( 116) = ( -0.1481061 0.1481061 0.1481061), wk = 0.0032051 k( 117) = ( -0.1416667 0.1416667 0.1416667), wk = 0.0032051 k( 118) = ( -0.1352273 0.1352273 0.1352273), wk = 0.0032051 k( 119) = ( -0.1287879 0.1287879 0.1287879), wk = 0.0032051 k( 120) = ( -0.1223485 0.1223485 0.1223485), wk = 0.0032051 k( 121) = ( -0.1159091 0.1159091 0.1159091), wk = 0.0032051 k( 122) = ( -0.1094697 0.1094697 0.1094697), wk = 0.0032051 k( 123) = ( -0.1030303 0.1030303 0.1030303), wk = 0.0032051 k( 124) = ( -0.0965909 0.0965909 0.0965909), wk = 0.0032051 k( 125) = ( -0.0901515 0.0901515 0.0901516), wk = 0.0032051 k( 126) = ( -0.0837121 0.0837121 0.0837122), wk = 0.0032051 k( 127) = ( -0.0772728 0.0772727 0.0772728), wk = 0.0032051 k( 128) = ( -0.0708334 0.0708334 0.0708334), wk = 0.0032051 k( 129) = ( -0.0643940 0.0643940 0.0643940), wk = 0.0032051 k( 130) = ( -0.0579546 0.0579546 0.0579546), wk = 0.0032051 k( 131) = ( -0.0515152 0.0515152 0.0515152), wk = 0.0032051 k( 132) = ( -0.0450758 0.0450758 0.0450758), wk = 0.0032051 k( 133) = ( -0.0386364 0.0386364 0.0386364), wk = 0.0032051 k( 134) = ( -0.0321970 0.0321970 0.0321970), wk = 0.0032051 k( 135) = ( -0.0257576 0.0257576 0.0257576), wk = 0.0032051 k( 136) = ( -0.0193182 0.0193182 0.0193182), wk = 0.0032051 k( 137) = ( -0.0128788 0.0128788 0.0128788), wk = 0.0032051 k( 138) = ( -0.0064394 0.0064394 0.0064394), wk = 0.0032051 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 141) = ( 0.0357143 0.0357143 -0.0357143), wk = 0.0032051 k( 142) = ( 0.0714286 0.0714286 -0.0714286), wk = 0.0032051 k( 143) = ( 0.1071429 0.1071429 -0.1071429), wk = 0.0032051 k( 144) = ( 0.1428571 0.1428571 -0.1428571), wk = 0.0032051 k( 145) = ( 0.1785714 0.1785714 -0.1785714), wk = 0.0032051 k( 146) = ( 0.2142857 0.2142857 -0.2142857), wk = 0.0032051 k( 147) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0032051 k( 148) = ( 0.2857143 0.2857143 -0.2857143), wk = 0.0032051 k( 149) = ( 0.3214286 0.3214286 -0.3214286), wk = 0.0032051 k( 150) = ( 0.3571429 0.3571429 -0.3571429), wk = 0.0032051 k( 151) = ( 0.3928571 0.3928571 -0.3928571), wk = 0.0032051 k( 152) = ( 0.4285714 0.4285714 -0.4285714), wk = 0.0032051 k( 153) = ( 0.4642857 0.4642857 -0.4642857), wk = 0.0032051 k( 154) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0032051 k( 155) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0032051 k( 156) = ( 0.4936204 0.5063796 -0.4936204), wk = 0.0032051 k( 157) = ( 0.4872408 0.5127592 -0.4872408), wk = 0.0032051 k( 158) = ( 0.4808613 0.5191388 -0.4808613), wk = 0.0032051 k( 159) = ( 0.4744817 0.5255183 -0.4744817), wk = 0.0032051 k( 160) = ( 0.4681021 0.5318979 -0.4681021), wk = 0.0032051 k( 161) = ( 0.4617225 0.5382775 -0.4617225), wk = 0.0032051 k( 162) = ( 0.4553429 0.5446571 -0.4553429), wk = 0.0032051 k( 163) = ( 0.4489633 0.5510367 -0.4489633), wk = 0.0032051 k( 164) = ( 0.4425837 0.5574163 -0.4425837), wk = 0.0032051 k( 165) = ( 0.4362042 0.5637958 -0.4362042), wk = 0.0032051 k( 166) = ( 0.4298246 0.5701754 -0.4298246), wk = 0.0032051 k( 167) = ( 0.4234450 0.5765550 -0.4234450), wk = 0.0032051 k( 168) = ( 0.4170654 0.5829346 -0.4170654), wk = 0.0032051 k( 169) = ( 0.4106858 0.5893142 -0.4106858), wk = 0.0032051 k( 170) = ( 0.4043063 0.5956937 -0.4043063), wk = 0.0032051 k( 171) = ( 0.3979267 0.6020733 -0.3979267), wk = 0.0032051 k( 172) = ( 0.3915471 0.6084529 -0.3915471), wk = 0.0032051 k( 173) = ( 0.3851675 0.6148325 -0.3851675), wk = 0.0032051 k( 174) = ( 0.3787879 0.6212121 -0.3787879), wk = 0.0032051 k( 175) = ( 0.3724083 0.6275917 -0.3724083), wk = 0.0032051 k( 176) = ( 0.3660288 0.6339712 -0.3660288), wk = 0.0032051 k( 177) = ( 0.3596492 0.6403508 -0.3596492), wk = 0.0032051 k( 178) = ( 0.3532696 0.6467304 -0.3532696), wk = 0.0032051 k( 179) = ( 0.3468900 0.6531100 -0.3468900), wk = 0.0032051 k( 180) = ( 0.3405104 0.6594896 -0.3405104), wk = 0.0032051 k( 181) = ( 0.3341308 0.6658692 -0.3341308), wk = 0.0032051 k( 182) = ( 0.3277513 0.6722487 -0.3277513), wk = 0.0032051 k( 183) = ( 0.3213717 0.6786283 -0.3213717), wk = 0.0032051 k( 184) = ( 0.3149921 0.6850079 -0.3149921), wk = 0.0032051 k( 185) = ( 0.3086125 0.6913875 -0.3086125), wk = 0.0032051 k( 186) = ( 0.3022329 0.6977671 -0.3022329), wk = 0.0032051 k( 187) = ( 0.2958534 0.7041466 -0.2958534), wk = 0.0032051 k( 188) = ( 0.2894738 0.7105262 -0.2894738), wk = 0.0032051 k( 189) = ( 0.2830942 0.7169058 -0.2830942), wk = 0.0032051 k( 190) = ( 0.2767146 0.7232854 -0.2767146), wk = 0.0032051 k( 191) = ( 0.2703350 0.7296650 -0.2703350), wk = 0.0032051 k( 192) = ( 0.2639554 0.7360446 -0.2639554), wk = 0.0032051 k( 193) = ( 0.2575758 0.7424241 -0.2575758), wk = 0.0032051 k( 194) = ( 0.2575758 0.7424241 -0.2575758), wk = 0.0032051 k( 195) = ( 0.2207793 0.7077921 -0.2207793), wk = 0.0032051 k( 196) = ( 0.1839828 0.6731601 -0.1839828), wk = 0.0032051 k( 197) = ( 0.1471862 0.6385281 -0.1471862), wk = 0.0032051 k( 198) = ( 0.1103897 0.6038961 -0.1103896), wk = 0.0032051 k( 199) = ( 0.0735931 0.5692640 -0.0735931), wk = 0.0032051 k( 200) = ( 0.0367965 0.5346320 -0.0367966), wk = 0.0032051 k( 201) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032051 k( 202) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032051 k( 203) = ( 0.0064103 0.4935897 0.0064103), wk = 0.0032051 k( 204) = ( 0.0128205 0.4871795 0.0128205), wk = 0.0032051 k( 205) = ( 0.0192308 0.4807692 0.0192308), wk = 0.0032051 k( 206) = ( 0.0256410 0.4743590 0.0256410), wk = 0.0032051 k( 207) = ( 0.0320513 0.4679487 0.0320513), wk = 0.0032051 k( 208) = ( 0.0384615 0.4615385 0.0384615), wk = 0.0032051 k( 209) = ( 0.0448718 0.4551282 0.0448718), wk = 0.0032051 k( 210) = ( 0.0512821 0.4487180 0.0512820), wk = 0.0032051 k( 211) = ( 0.0576923 0.4423077 0.0576923), wk = 0.0032051 k( 212) = ( 0.0641026 0.4358974 0.0641026), wk = 0.0032051 k( 213) = ( 0.0705128 0.4294872 0.0705128), wk = 0.0032051 k( 214) = ( 0.0769231 0.4230769 0.0769231), wk = 0.0032051 k( 215) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0032051 k( 216) = ( 0.0897436 0.4102564 0.0897436), wk = 0.0032051 k( 217) = ( 0.0961538 0.4038462 0.0961538), wk = 0.0032051 k( 218) = ( 0.1025641 0.3974359 0.1025641), wk = 0.0032051 k( 219) = ( 0.1089744 0.3910256 0.1089744), wk = 0.0032051 k( 220) = ( 0.1153846 0.3846154 0.1153846), wk = 0.0032051 k( 221) = ( 0.1217949 0.3782051 0.1217949), wk = 0.0032051 k( 222) = ( 0.1282051 0.3717949 0.1282051), wk = 0.0032051 k( 223) = ( 0.1346154 0.3653846 0.1346154), wk = 0.0032051 k( 224) = ( 0.1410256 0.3589744 0.1410256), wk = 0.0032051 k( 225) = ( 0.1474359 0.3525641 0.1474359), wk = 0.0032051 k( 226) = ( 0.1538461 0.3461539 0.1538461), wk = 0.0032051 k( 227) = ( 0.1602564 0.3397436 0.1602564), wk = 0.0032051 k( 228) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0032051 k( 229) = ( 0.1730769 0.3269231 0.1730769), wk = 0.0032051 k( 230) = ( 0.1794872 0.3205128 0.1794872), wk = 0.0032051 k( 231) = ( 0.1858974 0.3141026 0.1858974), wk = 0.0032051 k( 232) = ( 0.1923077 0.3076923 0.1923077), wk = 0.0032051 k( 233) = ( 0.1987180 0.3012821 0.1987179), wk = 0.0032051 k( 234) = ( 0.2051282 0.2948718 0.2051282), wk = 0.0032051 k( 235) = ( 0.2115385 0.2884615 0.2115385), wk = 0.0032051 k( 236) = ( 0.2179487 0.2820513 0.2179487), wk = 0.0032051 k( 237) = ( 0.2243590 0.2756410 0.2243590), wk = 0.0032051 k( 238) = ( 0.2307692 0.2692308 0.2307692), wk = 0.0032051 k( 239) = ( 0.2371795 0.2628205 0.2371795), wk = 0.0032051 k( 240) = ( 0.2435897 0.2564103 0.2435897), wk = 0.0032051 k( 241) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032051 k( 242) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032051 k( 243) = ( 0.2857143 0.2857143 0.2121212), wk = 0.0032051 k( 244) = ( 0.3214286 0.3214286 0.1742424), wk = 0.0032051 k( 245) = ( 0.3571429 0.3571429 0.1363636), wk = 0.0032051 k( 246) = ( 0.3928571 0.3928571 0.0984847), wk = 0.0032051 k( 247) = ( 0.4285714 0.4285714 0.0606059), wk = 0.0032051 k( 248) = ( 0.4642857 0.4642857 0.0227271), wk = 0.0032051 k( 249) = ( 0.5000000 0.5000000 -0.0151517), wk = 0.0032051 k( 250) = ( 0.5000000 0.5000000 -0.0151517), wk = 0.0032051 k( 251) = ( 0.5000000 0.5000000 -0.0241304), wk = 0.0032051 k( 252) = ( 0.5000000 0.5000000 -0.0331090), wk = 0.0032051 k( 253) = ( 0.5000000 0.5000000 -0.0420877), wk = 0.0032051 k( 254) = ( 0.5000000 0.5000000 -0.0510664), wk = 0.0032051 k( 255) = ( 0.5000000 0.5000000 -0.0600451), wk = 0.0032051 k( 256) = ( 0.5000000 0.5000000 -0.0690237), wk = 0.0032051 k( 257) = ( 0.5000000 0.5000000 -0.0780024), wk = 0.0032051 k( 258) = ( 0.5000000 0.5000000 -0.0869811), wk = 0.0032051 k( 259) = ( 0.5000000 0.5000000 -0.0959598), wk = 0.0032051 k( 260) = ( 0.5000000 0.5000000 -0.1049384), wk = 0.0032051 k( 261) = ( 0.5000000 0.5000000 -0.1139171), wk = 0.0032051 k( 262) = ( 0.5000000 0.5000000 -0.1228958), wk = 0.0032051 k( 263) = ( 0.5000000 0.5000000 -0.1318744), wk = 0.0032051 k( 264) = ( 0.5000000 0.5000000 -0.1408531), wk = 0.0032051 k( 265) = ( 0.5000000 0.5000000 -0.1498318), wk = 0.0032051 k( 266) = ( 0.5000000 0.5000000 -0.1588105), wk = 0.0032051 k( 267) = ( 0.5000000 0.5000000 -0.1677891), wk = 0.0032051 k( 268) = ( 0.5000000 0.5000000 -0.1767678), wk = 0.0032051 k( 269) = ( 0.5000000 0.5000000 -0.1857465), wk = 0.0032051 k( 270) = ( 0.5000000 0.5000000 -0.1947251), wk = 0.0032051 k( 271) = ( 0.5000000 0.5000000 -0.2037038), wk = 0.0032051 k( 272) = ( 0.5000000 0.5000000 -0.2126825), wk = 0.0032051 k( 273) = ( 0.5000000 0.5000000 -0.2216612), wk = 0.0032051 k( 274) = ( 0.5000000 0.5000000 -0.2306398), wk = 0.0032051 k( 275) = ( 0.5000000 0.5000000 -0.2396185), wk = 0.0032051 k( 276) = ( 0.5000000 0.5000000 -0.2485972), wk = 0.0032051 k( 277) = ( 0.5000000 0.5000000 -0.2575759), wk = 0.0032051 k( 278) = ( 0.5000000 0.5000000 -0.2665545), wk = 0.0032051 k( 279) = ( 0.5000000 0.5000000 -0.2755332), wk = 0.0032051 k( 280) = ( 0.5000000 0.5000000 -0.2845119), wk = 0.0032051 k( 281) = ( 0.5000000 0.5000000 -0.2934905), wk = 0.0032051 k( 282) = ( 0.5000000 0.5000000 -0.3024692), wk = 0.0032051 k( 283) = ( 0.5000000 0.5000000 -0.3114479), wk = 0.0032051 k( 284) = ( 0.5000000 0.5000000 -0.3204266), wk = 0.0032051 k( 285) = ( 0.5000000 0.5000000 -0.3294052), wk = 0.0032051 k( 286) = ( 0.5000000 0.5000000 -0.3383839), wk = 0.0032051 k( 287) = ( 0.5000000 0.5000000 -0.3473626), wk = 0.0032051 k( 288) = ( 0.5000000 0.5000000 -0.3563412), wk = 0.0032051 k( 289) = ( 0.5000000 0.5000000 -0.3653199), wk = 0.0032051 k( 290) = ( 0.5000000 0.5000000 -0.3742986), wk = 0.0032051 k( 291) = ( 0.5000000 0.5000000 -0.3832773), wk = 0.0032051 k( 292) = ( 0.5000000 0.5000000 -0.3922559), wk = 0.0032051 k( 293) = ( 0.5000000 0.5000000 -0.4012346), wk = 0.0032051 k( 294) = ( 0.5000000 0.5000000 -0.4102133), wk = 0.0032051 k( 295) = ( 0.5000000 0.5000000 -0.4191920), wk = 0.0032051 k( 296) = ( 0.5000000 0.5000000 -0.4281706), wk = 0.0032051 k( 297) = ( 0.5000000 0.5000000 -0.4371493), wk = 0.0032051 k( 298) = ( 0.5000000 0.5000000 -0.4461280), wk = 0.0032051 k( 299) = ( 0.5000000 0.5000000 -0.4551066), wk = 0.0032051 k( 300) = ( 0.5000000 0.5000000 -0.4640853), wk = 0.0032051 k( 301) = ( 0.5000000 0.5000000 -0.4730640), wk = 0.0032051 k( 302) = ( 0.5000000 0.5000000 -0.4820427), wk = 0.0032051 k( 303) = ( 0.5000000 0.5000000 -0.4910213), wk = 0.0032051 k( 304) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0032051 k( 305) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032051 k( 306) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0032051 k( 307) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0032051 k( 308) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0032051 k( 309) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0032051 k( 310) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0032051 k( 311) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0032051 k( 312) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032051 Dense grid: 182243 G-vectors FFT dimensions: ( 150, 150, 150) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.49 Mb ( 640, 50) NL pseudopotentials 0.82 Mb ( 320, 168) Each V/rho on FFT grid 1.03 Mb ( 67500) Each G-vector array 0.02 Mb ( 2531) G-vector shells 0.01 Mb ( 1201) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.95 Mb ( 640, 200) Each subspace H/S matrix 0.02 Mb ( 33, 33) Each matrix 0.26 Mb ( 168, 2, 50) The potential is recalculated from file : ./LiGe.save/charge-density.dat Starting wfc are 108 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 6.8 secs Computing kpt #: 2 total cpu time spent up to now is 11.8 secs Computing kpt #: 3 total cpu time spent up to now is 16.6 secs Computing kpt #: 4 total cpu time spent up to now is 21.5 secs Computing kpt #: 5 total cpu time spent up to now is 27.0 secs Computing kpt #: 6 total cpu time spent up to now is 32.1 secs Computing kpt #: 7 total cpu time spent up to now is 37.4 secs Computing kpt #: 8 total cpu time spent up to now is 42.6 secs Computing kpt #: 9 total cpu time spent up to now is 48.7 secs Computing kpt #: 10 total cpu time spent up to now is 54.8 secs Computing kpt #: 11 total cpu time spent up to now is 60.8 secs Computing kpt #: 12 total cpu time spent up to now is 67.0 secs Computing kpt #: 13 total cpu time spent up to now is 72.3 secs Computing kpt #: 14 total cpu time spent up to now is 78.4 secs Computing kpt #: 15 total cpu time spent up to now is 83.4 secs Computing kpt #: 16 total cpu time spent up to now is 88.5 secs Computing kpt #: 17 total cpu time spent up to now is 93.9 secs Computing kpt #: 18 total cpu time spent up to now is 99.1 secs Computing kpt #: 19 total cpu time spent up to now is 105.5 secs Computing kpt #: 20 total cpu time spent up to now is 111.9 secs Computing kpt #: 21 total cpu time spent up to now is 118.1 secs Computing kpt #: 22 total cpu time spent up to now is 123.3 secs Computing kpt #: 23 total cpu time spent up to now is 128.6 secs Computing kpt #: 24 total cpu time spent up to now is 133.7 secs Computing kpt #: 25 total cpu time spent up to now is 138.8 secs Computing kpt #: 26 total cpu time spent up to now is 144.0 secs Computing kpt #: 27 total cpu time spent up to now is 148.8 secs Computing kpt #: 28 total cpu time spent up to now is 153.8 secs Computing kpt #: 29 total cpu time spent up to now is 158.7 secs Computing kpt #: 30 total cpu time spent up to now is 163.7 secs Computing kpt #: 31 total cpu time spent up to now is 168.8 secs Computing kpt #: 32 total cpu time spent up to now is 173.9 secs Computing kpt #: 33 total cpu time spent up to now is 179.3 secs Computing kpt #: 34 total cpu time spent up to now is 184.6 secs Computing kpt #: 35 total cpu time spent up to now is 189.3 secs Computing kpt #: 36 total cpu time spent up to now is 194.0 secs Computing kpt #: 37 total cpu time spent up to now is 198.7 secs Computing kpt #: 38 total cpu time spent up to now is 203.5 secs Computing kpt #: 39 total cpu time spent up to now is 208.1 secs Computing kpt #: 40 total cpu time spent up to now is 212.7 secs Computing kpt #: 41 total cpu time spent up to now is 217.2 secs Computing kpt #: 42 total cpu time spent up to now is 221.8 secs Computing kpt #: 43 total cpu time spent up to now is 226.6 secs Computing kpt #: 44 total cpu time spent up to now is 231.2 secs Computing kpt #: 45 total cpu time spent up to now is 235.9 secs Computing kpt #: 46 total cpu time spent up to now is 240.8 secs Computing kpt #: 47 total cpu time spent up to now is 246.1 secs Computing kpt #: 48 total cpu time spent up to now is 251.0 secs Computing kpt #: 49 total cpu time spent up to now is 255.8 secs Computing kpt #: 50 total cpu time spent up to now is 260.5 secs Computing kpt #: 51 total cpu time spent up to now is 265.4 secs Computing kpt #: 52 total cpu time spent up to now is 270.2 secs Computing kpt #: 53 total cpu time spent up to now is 275.1 secs Computing kpt #: 54 total cpu time spent up to now is 279.8 secs Computing kpt #: 55 total cpu time spent up to now is 284.8 secs Computing kpt #: 56 total cpu time spent up to now is 289.7 secs Computing kpt #: 57 total cpu time spent up to now is 294.3 secs Computing kpt #: 58 total cpu time spent up to now is 300.0 secs Computing kpt #: 59 total cpu time spent up to now is 305.9 secs Computing kpt #: 60 total cpu time spent up to now is 312.0 secs Computing kpt #: 61 total cpu time spent up to now is 317.3 secs Computing kpt #: 62 total cpu time spent up to now is 322.8 secs Computing kpt #: 63 total cpu time spent up to now is 327.9 secs Computing kpt #: 64 total cpu time spent up to now is 332.8 secs Computing kpt #: 65 total cpu time spent up to now is 337.6 secs Computing kpt #: 66 total cpu time spent up to now is 342.6 secs Computing kpt #: 67 total cpu time spent up to now is 347.3 secs Computing kpt #: 68 total cpu time spent up to now is 352.2 secs Computing kpt #: 69 total cpu time spent up to now is 356.8 secs Computing kpt #: 70 total cpu time spent up to now is 361.5 secs Computing kpt #: 71 total cpu time spent up to now is 366.2 secs Computing kpt #: 72 total cpu time spent up to now is 370.9 secs Computing kpt #: 73 total cpu time spent up to now is 376.0 secs Computing kpt #: 74 total cpu time spent up to now is 380.7 secs Computing kpt #: 75 total cpu time spent up to now is 385.6 secs Computing kpt #: 76 total cpu time spent up to now is 390.6 secs Computing kpt #: 77 total cpu time spent up to now is 395.8 secs Computing kpt #: 78 total cpu time spent up to now is 400.7 secs Computing kpt #: 79 total cpu time spent up to now is 405.6 secs Computing kpt #: 80 total cpu time spent up to now is 410.5 secs Computing kpt #: 81 total cpu time spent up to now is 415.7 secs Computing kpt #: 82 total cpu time spent up to now is 420.7 secs Computing kpt #: 83 total cpu time spent up to now is 425.8 secs Computing kpt #: 84 total cpu time spent up to now is 430.8 secs Computing kpt #: 85 total cpu time spent up to now is 435.9 secs Computing kpt #: 86 total cpu time spent up to now is 442.2 secs Computing kpt #: 87 total cpu time spent up to now is 448.2 secs Computing kpt #: 88 total cpu time spent up to now is 454.4 secs Computing kpt #: 89 total cpu time spent up to now is 460.0 secs Computing kpt #: 90 total cpu time spent up to now is 465.6 secs Computing kpt #: 91 total cpu time spent up to now is 471.1 secs Computing kpt #: 92 total cpu time spent up to now is 476.2 secs Computing kpt #: 93 total cpu time spent up to now is 481.8 secs Computing kpt #: 94 total cpu time spent up to now is 486.9 secs Computing kpt #: 95 total cpu time spent up to now is 492.2 secs Computing kpt #: 96 total cpu time spent up to now is 497.4 secs Computing kpt #: 97 total cpu time spent up to now is 503.1 secs Computing kpt #: 98 total cpu time spent up to now is 509.4 secs Computing kpt #: 99 total cpu time spent up to now is 515.6 secs Computing kpt #: 100 total cpu time spent up to now is 520.8 secs Computing kpt #: 101 total cpu time spent up to now is 526.3 secs Computing kpt #: 102 total cpu time spent up to now is 531.7 secs Computing kpt #: 103 total cpu time spent up to now is 537.3 secs Computing kpt #: 104 total cpu time spent up to now is 543.1 secs Computing kpt #: 105 total cpu time spent up to now is 548.4 secs Computing kpt #: 106 total cpu time spent up to now is 553.5 secs Computing kpt #: 107 total cpu time spent up to now is 558.8 secs Computing kpt #: 108 total cpu time spent up to now is 563.9 secs Computing kpt #: 109 total cpu time spent up to now is 569.0 secs Computing kpt #: 110 total cpu time spent up to now is 574.4 secs Computing kpt #: 111 total cpu time spent up to now is 579.8 secs Computing kpt #: 112 total cpu time spent up to now is 586.0 secs Computing kpt #: 113 total cpu time spent up to now is 592.3 secs Computing kpt #: 114 total cpu time spent up to now is 598.6 secs Computing kpt #: 115 total cpu time spent up to now is 603.7 secs Computing kpt #: 116 total cpu time spent up to now is 609.4 secs Computing kpt #: 117 total cpu time spent up to now is 615.0 secs Computing kpt #: 118 total cpu time spent up to now is 620.5 secs Computing kpt #: 119 total cpu time spent up to now is 626.0 secs Computing kpt #: 120 total cpu time spent up to now is 631.4 secs Computing kpt #: 121 total cpu time spent up to now is 636.6 secs Computing kpt #: 122 total cpu time spent up to now is 641.9 secs Computing kpt #: 123 total cpu time spent up to now is 647.0 secs Computing kpt #: 124 total cpu time spent up to now is 652.2 secs Computing kpt #: 125 total cpu time spent up to now is 657.7 secs Computing kpt #: 126 total cpu time spent up to now is 663.8 secs Computing kpt #: 127 total cpu time spent up to now is 669.0 secs Computing kpt #: 128 total cpu time spent up to now is 674.4 secs Computing kpt #: 129 total cpu time spent up to now is 679.7 secs Computing kpt #: 130 total cpu time spent up to now is 684.9 secs Computing kpt #: 131 total cpu time spent up to now is 690.4 secs Computing kpt #: 132 total cpu time spent up to now is 696.1 secs Computing kpt #: 133 total cpu time spent up to now is 701.5 secs Computing kpt #: 134 total cpu time spent up to now is 706.6 secs Computing kpt #: 135 total cpu time spent up to now is 711.5 secs Computing kpt #: 136 total cpu time spent up to now is 716.3 secs Computing kpt #: 137 total cpu time spent up to now is 721.1 secs Computing kpt #: 138 total cpu time spent up to now is 725.9 secs Computing kpt #: 139 total cpu time spent up to now is 730.8 secs Computing kpt #: 140 total cpu time spent up to now is 735.7 secs Computing kpt #: 141 total cpu time spent up to now is 740.5 secs Computing kpt #: 142 total cpu time spent up to now is 745.4 secs Computing kpt #: 143 total cpu time spent up to now is 750.4 secs Computing kpt #: 144 total cpu time spent up to now is 755.5 secs Computing kpt #: 145 total cpu time spent up to now is 760.5 secs Computing kpt #: 146 total cpu time spent up to now is 766.2 secs Computing kpt #: 147 total cpu time spent up to now is 771.8 secs Computing kpt #: 148 total cpu time spent up to now is 777.1 secs Computing kpt #: 149 total cpu time spent up to now is 782.9 secs Computing kpt #: 150 total cpu time spent up to now is 788.5 secs Computing kpt #: 151 total cpu time spent up to now is 793.8 secs Computing kpt #: 152 total cpu time spent up to now is 799.1 secs Computing kpt #: 153 total cpu time spent up to now is 804.6 secs Computing kpt #: 154 total cpu time spent up to now is 809.7 secs Computing kpt #: 155 total cpu time spent up to now is 814.8 secs Computing kpt #: 156 total cpu time spent up to now is 820.0 secs Computing kpt #: 157 total cpu time spent up to now is 825.3 secs Computing kpt #: 158 total cpu time spent up to now is 830.6 secs Computing kpt #: 159 total cpu time spent up to now is 836.1 secs Computing kpt #: 160 total cpu time spent up to now is 841.4 secs Computing kpt #: 161 total cpu time spent up to now is 846.6 secs Computing kpt #: 162 total cpu time spent up to now is 851.5 secs Computing kpt #: 163 total cpu time spent up to now is 856.2 secs Computing kpt #: 164 total cpu time spent up to now is 860.8 secs Computing kpt #: 165 total cpu time spent up to now is 865.6 secs Computing kpt #: 166 total cpu time spent up to now is 870.5 secs Computing kpt #: 167 total cpu time spent up to now is 876.1 secs Computing kpt #: 168 total cpu time spent up to now is 881.7 secs Computing kpt #: 169 total cpu time spent up to now is 887.3 secs Computing kpt #: 170 total cpu time spent up to now is 893.0 secs Computing kpt #: 171 total cpu time spent up to now is 899.0 secs Computing kpt #: 172 total cpu time spent up to now is 904.8 secs Computing kpt #: 173 total cpu time spent up to now is 911.0 secs Computing kpt #: 174 total cpu time spent up to now is 917.2 secs Computing kpt #: 175 total cpu time spent up to now is 923.3 secs Computing kpt #: 176 total cpu time spent up to now is 929.0 secs Computing kpt #: 177 total cpu time spent up to now is 934.8 secs Computing kpt #: 178 total cpu time spent up to now is 940.6 secs Computing kpt #: 179 total cpu time spent up to now is 946.3 secs Computing kpt #: 180 total cpu time spent up to now is 952.1 secs Computing kpt #: 181 total cpu time spent up to now is 957.7 secs Computing kpt #: 182 total cpu time spent up to now is 963.4 secs Computing kpt #: 183 total cpu time spent up to now is 969.0 secs Computing kpt #: 184 total cpu time spent up to now is 974.6 secs Computing kpt #: 185 total cpu time spent up to now is 980.8 secs Computing kpt #: 186 total cpu time spent up to now is 987.1 secs Computing kpt #: 187 total cpu time spent up to now is 993.2 secs Computing kpt #: 188 total cpu time spent up to now is 998.9 secs Computing kpt #: 189 total cpu time spent up to now is 1004.8 secs Computing kpt #: 190 total cpu time spent up to now is 1010.4 secs Computing kpt #: 191 total cpu time spent up to now is 1016.1 secs Computing kpt #: 192 total cpu time spent up to now is 1022.1 secs Computing kpt #: 193 total cpu time spent up to now is 1027.7 secs Computing kpt #: 194 total cpu time spent up to now is 1033.5 secs Computing kpt #: 195 total cpu time spent up to now is 1039.0 secs Computing kpt #: 196 total cpu time spent up to now is 1044.0 secs Computing kpt #: 197 total cpu time spent up to now is 1048.9 secs Computing kpt #: 198 total cpu time spent up to now is 1054.2 secs Computing kpt #: 199 total cpu time spent up to now is 1059.4 secs Computing kpt #: 200 total cpu time spent up to now is 1064.4 secs Computing kpt #: 201 total cpu time spent up to now is 1069.1 secs Computing kpt #: 202 total cpu time spent up to now is 1074.0 secs Computing kpt #: 203 total cpu time spent up to now is 1078.9 secs Computing kpt #: 204 total cpu time spent up to now is 1083.8 secs Computing kpt #: 205 total cpu time spent up to now is 1088.4 secs Computing kpt #: 206 total cpu time spent up to now is 1093.1 secs Computing kpt #: 207 total cpu time spent up to now is 1097.6 secs Computing kpt #: 208 total cpu time spent up to now is 1102.4 secs Computing kpt #: 209 total cpu time spent up to now is 1107.0 secs Computing kpt #: 210 total cpu time spent up to now is 1111.7 secs Computing kpt #: 211 total cpu time spent up to now is 1116.3 secs Computing kpt #: 212 total cpu time spent up to now is 1121.2 secs Computing kpt #: 213 total cpu time spent up to now is 1126.5 secs Computing kpt #: 214 total cpu time spent up to now is 1132.8 secs Computing kpt #: 215 total cpu time spent up to now is 1137.6 secs Computing kpt #: 216 total cpu time spent up to now is 1142.2 secs Computing kpt #: 217 total cpu time spent up to now is 1146.7 secs Computing kpt #: 218 total cpu time spent up to now is 1151.3 secs Computing kpt #: 219 total cpu time spent up to now is 1155.7 secs Computing kpt #: 220 total cpu time spent up to now is 1160.1 secs Computing kpt #: 221 total cpu time spent up to now is 1164.5 secs Computing kpt #: 222 total cpu time spent up to now is 1168.9 secs Computing kpt #: 223 total cpu time spent up to now is 1173.4 secs Computing kpt #: 224 total cpu time spent up to now is 1177.9 secs Computing kpt #: 225 total cpu time spent up to now is 1182.3 secs Computing kpt #: 226 total cpu time spent up to now is 1186.7 secs Computing kpt #: 227 total cpu time spent up to now is 1191.3 secs Computing kpt #: 228 total cpu time spent up to now is 1196.1 secs Computing kpt #: 229 total cpu time spent up to now is 1200.7 secs Computing kpt #: 230 total cpu time spent up to now is 1205.3 secs Computing kpt #: 231 total cpu time spent up to now is 1209.8 secs Computing kpt #: 232 total cpu time spent up to now is 1214.0 secs Computing kpt #: 233 total cpu time spent up to now is 1218.0 secs Computing kpt #: 234 total cpu time spent up to now is 1222.2 secs Computing kpt #: 235 total cpu time spent up to now is 1226.5 secs Computing kpt #: 236 total cpu time spent up to now is 1230.7 secs Computing kpt #: 237 total cpu time spent up to now is 1234.8 secs Computing kpt #: 238 total cpu time spent up to now is 1239.2 secs Computing kpt #: 239 total cpu time spent up to now is 1243.5 secs Computing kpt #: 240 total cpu time spent up to now is 1247.8 secs Computing kpt #: 241 total cpu time spent up to now is 1253.1 secs Computing kpt #: 242 total cpu time spent up to now is 1258.4 secs Computing kpt #: 243 total cpu time spent up to now is 1263.6 secs Computing kpt #: 244 total cpu time spent up to now is 1269.3 secs Computing kpt #: 245 total cpu time spent up to now is 1275.0 secs Computing kpt #: 246 total cpu time spent up to now is 1279.6 secs Computing kpt #: 247 total cpu time spent up to now is 1284.2 secs Computing kpt #: 248 total cpu time spent up to now is 1288.7 secs Computing kpt #: 249 total cpu time spent up to now is 1294.3 secs Computing kpt #: 250 total cpu time spent up to now is 1299.8 secs Computing kpt #: 251 total cpu time spent up to now is 1305.3 secs Computing kpt #: 252 total cpu time spent up to now is 1310.8 secs Computing kpt #: 253 total cpu time spent up to now is 1316.4 secs Computing kpt #: 254 total cpu time spent up to now is 1321.9 secs Computing kpt #: 255 total cpu time spent up to now is 1327.4 secs Computing kpt #: 256 total cpu time spent up to now is 1332.8 secs Computing kpt #: 257 total cpu time spent up to now is 1338.3 secs Computing kpt #: 258 total cpu time spent up to now is 1344.2 secs Computing kpt #: 259 total cpu time spent up to now is 1350.0 secs Computing kpt #: 260 total cpu time spent up to now is 1355.9 secs Computing kpt #: 261 total cpu time spent up to now is 1361.8 secs Computing kpt #: 262 total cpu time spent up to now is 1367.2 secs Computing kpt #: 263 total cpu time spent up to now is 1372.6 secs Computing kpt #: 264 total cpu time spent up to now is 1378.2 secs Computing kpt #: 265 total cpu time spent up to now is 1383.9 secs Computing kpt #: 266 total cpu time spent up to now is 1389.3 secs Computing kpt #: 267 total cpu time spent up to now is 1394.7 secs Computing kpt #: 268 total cpu time spent up to now is 1400.2 secs Computing kpt #: 269 total cpu time spent up to now is 1405.1 secs Computing kpt #: 270 total cpu time spent up to now is 1410.5 secs Computing kpt #: 271 total cpu time spent up to now is 1415.9 secs Computing kpt #: 272 total cpu time spent up to now is 1420.5 secs Computing kpt #: 273 total cpu time spent up to now is 1425.8 secs Computing kpt #: 274 total cpu time spent up to now is 1431.8 secs Computing kpt #: 275 total cpu time spent up to now is 1437.7 secs Computing kpt #: 276 total cpu time spent up to now is 1443.5 secs Computing kpt #: 277 total cpu time spent up to now is 1449.3 secs Computing kpt #: 278 total cpu time spent up to now is 1455.0 secs Computing kpt #: 279 total cpu time spent up to now is 1460.8 secs Computing kpt #: 280 total cpu time spent up to now is 1466.5 secs Computing kpt #: 281 total cpu time spent up to now is 1472.3 secs Computing kpt #: 282 total cpu time spent up to now is 1478.1 secs Computing kpt #: 283 total cpu time spent up to now is 1483.9 secs Computing kpt #: 284 total cpu time spent up to now is 1489.8 secs Computing kpt #: 285 total cpu time spent up to now is 1495.6 secs Computing kpt #: 286 total cpu time spent up to now is 1501.7 secs Computing kpt #: 287 total cpu time spent up to now is 1508.0 secs Computing kpt #: 288 total cpu time spent up to now is 1513.9 secs Computing kpt #: 289 total cpu time spent up to now is 1518.9 secs Computing kpt #: 290 total cpu time spent up to now is 1524.0 secs Computing kpt #: 291 total cpu time spent up to now is 1529.9 secs Computing kpt #: 292 total cpu time spent up to now is 1535.0 secs Computing kpt #: 293 total cpu time spent up to now is 1540.9 secs Computing kpt #: 294 total cpu time spent up to now is 1546.9 secs Computing kpt #: 295 total cpu time spent up to now is 1552.8 secs Computing kpt #: 296 total cpu time spent up to now is 1558.8 secs Computing kpt #: 297 total cpu time spent up to now is 1564.6 secs Computing kpt #: 298 total cpu time spent up to now is 1570.2 secs Computing kpt #: 299 total cpu time spent up to now is 1575.7 secs Computing kpt #: 300 total cpu time spent up to now is 1581.1 secs Computing kpt #: 301 total cpu time spent up to now is 1586.3 secs Computing kpt #: 302 total cpu time spent up to now is 1591.5 secs Computing kpt #: 303 total cpu time spent up to now is 1596.6 secs Computing kpt #: 304 total cpu time spent up to now is 1601.7 secs Computing kpt #: 305 total cpu time spent up to now is 1605.9 secs Computing kpt #: 306 total cpu time spent up to now is 1610.3 secs Computing kpt #: 307 total cpu time spent up to now is 1616.1 secs Computing kpt #: 308 total cpu time spent up to now is 1621.7 secs Computing kpt #: 309 total cpu time spent up to now is 1627.1 secs Computing kpt #: 310 total cpu time spent up to now is 1632.4 secs Computing kpt #: 311 total cpu time spent up to now is 1637.6 secs Computing kpt #: 312 total cpu time spent up to now is 1643.4 secs ethr = 2.38E-08, avg # of iterations = 18.2 total cpu time spent up to now is 1643.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 22879 PWs) bands (ev): -40.8134 -40.8134 -40.8130 -40.8130 -40.7861 -40.7861 -40.7857 -40.7857 -40.5755 -40.5755 -40.5755 -40.5755 -5.7637 -5.7637 -5.1493 -5.1493 -4.3146 -4.3146 -2.2962 -2.2962 -1.3008 -1.3008 1.6211 1.6211 3.2795 3.2795 3.3037 3.3037 3.4990 3.4990 3.4999 3.4999 3.5097 3.5097 5.4849 5.4849 5.6346 5.6346 5.6970 5.6970 5.8132 5.8132 5.9337 5.9337 6.0783 6.0783 6.6641 6.6641 7.3940 7.3940 k = 0.0000 0.0000 0.0380 ( 22823 PWs) bands (ev): -40.8133 -40.8133 -40.8130 -40.8130 -40.7861 -40.7861 -40.7857 -40.7857 -40.5755 -40.5755 -40.5755 -40.5755 -5.7627 -5.7627 -5.1483 -5.1483 -4.3138 -4.3138 -2.2958 -2.2958 -1.3003 -1.3003 1.6141 1.6141 3.2786 3.2786 3.3053 3.3053 3.4657 3.4657 3.4942 3.4942 3.5409 3.5409 5.4739 5.4739 5.6208 5.6208 5.6738 5.6738 5.8256 5.8256 5.9384 5.9384 6.0951 6.0951 6.6762 6.6762 7.4053 7.4053 k = 0.0000 0.0000 0.0761 ( 22827 PWs) bands (ev): -40.8133 -40.8133 -40.8130 -40.8130 -40.7861 -40.7861 -40.7857 -40.7857 -40.5755 -40.5755 -40.5755 -40.5755 -5.7596 -5.7596 -5.1452 -5.1452 -4.3112 -4.3112 -2.2945 -2.2945 -1.2989 -1.2989 1.5933 1.5933 3.2677 3.2677 3.3179 3.3179 3.4248 3.4248 3.4796 3.4796 3.5739 3.5739 5.4428 5.4428 5.5829 5.5829 5.6209 5.6209 5.8413 5.8413 5.9579 5.9579 6.1411 6.1411 6.7115 6.7115 7.4382 7.4382 k = 0.0000 0.0000 0.1141 ( 22843 PWs) bands (ev): -40.8133 -40.8133 -40.8129 -40.8129 -40.7861 -40.7861 -40.7858 -40.7858 -40.5755 -40.5755 -40.5755 -40.5755 -5.7545 -5.7545 -5.1400 -5.1400 -4.3070 -4.3070 -2.2924 -2.2924 -1.2965 -1.2965 1.5598 1.5598 3.2440 3.2440 3.3370 3.3370 3.3876 3.3876 3.4558 3.4558 3.6049 3.6049 5.3955 5.3955 5.5275 5.5275 5.5534 5.5534 5.8420 5.8420 5.9988 5.9988 6.2081 6.2081 6.7667 6.7667 7.4897 7.4897 k = 0.0000 0.0000 0.1521 ( 22855 PWs) bands (ev): -40.8132 -40.8132 -40.8129 -40.8129 -40.7861 -40.7861 -40.7858 -40.7858 -40.5755 -40.5755 -40.5755 -40.5755 -5.7473 -5.7473 -5.1328 -5.1328 -4.3011 -4.3011 -2.2894 -2.2894 -1.2931 -1.2931 1.5150 1.5150 3.2104 3.2104 3.3151 3.3151 3.3969 3.3969 3.4248 3.4248 3.6344 3.6344 5.3362 5.3362 5.4587 5.4587 5.4773 5.4773 5.8298 5.8298 6.0574 6.0574 6.2897 6.2897 6.8385 6.8385 7.5555 7.5555 k = 0.0000 0.0000 0.1901 ( 22887 PWs) bands (ev): -40.8132 -40.8132 -40.8129 -40.8129 -40.7862 -40.7862 -40.7859 -40.7859 -40.5755 -40.5755 -40.5755 -40.5755 -5.7382 -5.7382 -5.1235 -5.1235 -4.2935 -4.2935 -2.2857 -2.2857 -1.2889 -1.2889 1.4605 1.4605 3.1687 3.1687 3.2646 3.2646 3.3808 3.3808 3.4446 3.4446 3.6628 3.6628 5.2677 5.2677 5.3774 5.3774 5.3979 5.3979 5.8098 5.8098 6.1290 6.1290 6.3819 6.3819 6.9236 6.9236 7.6306 7.6306 k = 0.0000 0.0000 0.2282 ( 22879 PWs) bands (ev): -40.8131 -40.8131 -40.8128 -40.8128 -40.7862 -40.7862 -40.7859 -40.7859 -40.5755 -40.5755 -40.5755 -40.5755 -5.7269 -5.7269 -5.1121 -5.1121 -4.2843 -4.2843 -2.2811 -2.2811 -1.2838 -1.2838 1.3979 1.3979 3.1201 3.1201 3.2078 3.2078 3.3339 3.3339 3.4971 3.4971 3.6906 3.6906 5.1921 5.1921 5.2861 5.2861 5.3179 5.3179 5.7849 5.7849 6.2114 6.2114 6.4826 6.4826 7.0197 7.0197 7.7091 7.7091 k = 0.0000 0.0000 0.2662 ( 22863 PWs) bands (ev): -40.8130 -40.8130 -40.8127 -40.8127 -40.7863 -40.7863 -40.7860 -40.7860 -40.5755 -40.5755 -40.5755 -40.5755 -5.7136 -5.7136 -5.0987 -5.0987 -4.2734 -4.2734 -2.2758 -2.2758 -1.2778 -1.2778 1.3288 1.3288 3.0659 3.0659 3.1471 3.1471 3.2807 3.2807 3.5550 3.5550 3.7185 3.7185 5.1105 5.1105 5.1887 5.1887 5.2368 5.2368 5.7566 5.7566 6.3030 6.3030 6.5902 6.5902 7.1250 7.1250 7.7850 7.7850 k = 0.0000 0.0000 0.3042 ( 22853 PWs) bands (ev): -40.8129 -40.8129 -40.8126 -40.8126 -40.7864 -40.7864 -40.7861 -40.7861 -40.5755 -40.5755 -40.5755 -40.5755 -5.6983 -5.6983 -5.0833 -5.0833 -4.2609 -4.2609 -2.2698 -2.2698 -1.2709 -1.2709 1.2543 1.2543 3.0072 3.0072 3.0835 3.0835 3.2223 3.2223 3.6155 3.6155 3.7470 3.7470 5.0237 5.0237 5.0878 5.0878 5.1551 5.1551 5.7262 5.7262 6.4025 6.4025 6.7039 6.7039 7.2382 7.2382 7.8512 7.8512 k = 0.0000 0.0000 0.3423 ( 22849 PWs) bands (ev): -40.8128 -40.8128 -40.8125 -40.8125 -40.7865 -40.7865 -40.7861 -40.7861 -40.5755 -40.5755 -40.5755 -40.5755 -5.6810 -5.6810 -5.0657 -5.0657 -4.2467 -4.2467 -2.2631 -2.2631 -1.2633 -1.2633 1.1755 1.1755 2.9451 2.9451 3.0173 3.0173 3.1599 3.1599 3.6764 3.6764 3.7768 3.7768 4.9326 4.9326 4.9851 4.9851 5.0732 5.0732 5.6947 5.6947 6.5088 6.5088 6.8228 6.8228 7.3585 7.3585 7.9005 7.9005 k = 0.0000 0.0000 0.3803 ( 22825 PWs) bands (ev): -40.8127 -40.8127 -40.8124 -40.8124 -40.7866 -40.7866 -40.7862 -40.7862 -40.5755 -40.5755 -40.5755 -40.5755 -5.6616 -5.6616 -5.0462 -5.0462 -4.2309 -4.2309 -2.2558 -2.2558 -1.2550 -1.2550 1.0935 1.0935 2.8804 2.8804 2.9492 2.9492 3.0942 3.0942 3.7352 3.7352 3.8092 3.8092 4.8381 4.8381 4.8818 4.8818 4.9912 4.9912 5.6631 5.6631 6.6203 6.6203 6.9463 6.9463 7.4849 7.4849 7.9275 7.9275 k = 0.0000 0.0000 0.4183 ( 22817 PWs) bands (ev): -40.8126 -40.8126 -40.8123 -40.8123 -40.7867 -40.7867 -40.7863 -40.7863 -40.5755 -40.5755 -40.5755 -40.5755 -5.6402 -5.6402 -5.0246 -5.0246 -4.2134 -4.2134 -2.2480 -2.2480 -1.2461 -1.2461 1.0088 1.0088 2.8141 2.8141 2.8795 2.8795 3.0260 3.0260 3.7883 3.7883 3.8462 3.8462 4.7408 4.7408 4.7792 4.7792 4.9090 4.9090 5.6326 5.6326 6.7352 6.7352 7.0737 7.0737 7.6168 7.6168 7.9306 7.9306 k = 0.0000 0.0000 0.4564 ( 22817 PWs) bands (ev): -40.8125 -40.8125 -40.8121 -40.8121 -40.7868 -40.7868 -40.7865 -40.7865 -40.5755 -40.5755 -40.5755 -40.5755 -5.6169 -5.6169 -5.0009 -5.0009 -4.1944 -4.1944 -2.2396 -2.2396 -1.2365 -1.2365 0.9221 0.9221 2.7469 2.7469 2.8086 2.8086 2.9561 2.9561 3.8329 3.8329 3.8896 3.8896 4.6413 4.6413 4.6783 4.6783 4.8266 4.8266 5.6041 5.6041 6.8509 6.8509 7.2041 7.2041 7.7499 7.7499 7.8106 7.8106 k = 0.0000 0.0000 0.4944 ( 22821 PWs) bands (ev): -40.8123 -40.8123 -40.8120 -40.8120 -40.7869 -40.7869 -40.7866 -40.7866 -40.5755 -40.5755 -40.5755 -40.5755 -5.5914 -5.5914 -4.9753 -4.9753 -4.1738 -4.1738 -2.2308 -2.2308 -1.2264 -1.2264 0.8339 0.8339 2.6794 2.6794 2.7371 2.7371 2.8851 2.8851 3.8708 3.8708 3.9360 3.9360 4.5404 4.5404 4.5796 4.5796 4.7441 4.7441 5.5787 5.5787 6.9633 6.9633 7.3363 7.3363 7.6543 7.6543 7.8819 7.8819 k = 0.0000 0.0000 0.5324 ( 22825 PWs) bands (ev): -40.8121 -40.8121 -40.8118 -40.8118 -40.7870 -40.7870 -40.7867 -40.7867 -40.5755 -40.5755 -40.5755 -40.5755 -5.5640 -5.5640 -4.9476 -4.9476 -4.1517 -4.1517 -2.2216 -2.2216 -1.2160 -1.2160 0.7445 0.7445 2.6122 2.6122 2.6651 2.6651 2.8134 2.8134 3.9054 3.9054 3.9805 3.9805 4.4391 4.4391 4.4835 4.4835 4.6614 4.6614 5.5574 5.5574 7.0654 7.0654 7.4551 7.4551 7.5174 7.5174 7.8489 7.8489 k = 0.0000 0.0000 0.5704 ( 22811 PWs) bands (ev): -40.8120 -40.8120 -40.8117 -40.8117 -40.7872 -40.7872 -40.7869 -40.7869 -40.5755 -40.5755 -40.5755 -40.5755 -5.5346 -5.5346 -4.9179 -4.9179 -4.1280 -4.1280 -2.2121 -2.2121 -1.2051 -1.2051 0.6543 0.6543 2.5456 2.5456 2.5932 2.5932 2.7417 2.7417 3.9383 3.9383 4.0195 4.0195 4.3383 4.3383 4.3906 4.3906 4.5786 4.5786 5.5411 5.5411 7.1440 7.1440 7.3415 7.3415 7.6122 7.6122 7.8292 7.8292 k = 0.0000 0.0000 0.6085 ( 22809 PWs) bands (ev): -40.8118 -40.8118 -40.8115 -40.8115 -40.7873 -40.7873 -40.7870 -40.7870 -40.5755 -40.5755 -40.5755 -40.5755 -5.5033 -5.5033 -4.8862 -4.8862 -4.1029 -4.1029 -2.2024 -2.2024 -1.1941 -1.1941 0.5635 0.5635 2.4801 2.4801 2.5216 2.5216 2.6703 2.6703 3.9692 3.9692 4.0506 4.0506 4.2388 4.2388 4.3027 4.3027 4.4959 4.4959 5.5307 5.5307 7.1617 7.1617 7.2092 7.2092 7.7446 7.7446 7.8422 7.8422 k = 0.0000 0.0000 0.6465 ( 22801 PWs) bands (ev): -40.8116 -40.8116 -40.8113 -40.8113 -40.7875 -40.7875 -40.7872 -40.7872 -40.5755 -40.5755 -40.5755 -40.5755 -5.4699 -5.4699 -4.8526 -4.8526 -4.0762 -4.0762 -2.1926 -2.1926 -1.1830 -1.1830 0.4724 0.4724 2.4160 2.4160 2.4506 2.4506 2.5996 2.5996 3.9942 3.9942 4.0706 4.0706 4.1419 4.1419 4.2251 4.2251 4.4132 4.4132 5.5268 5.5268 7.0218 7.0218 7.1833 7.1833 7.8736 7.8736 7.8996 7.8996 k = 0.0000 0.0000 0.6845 ( 22773 PWs) bands (ev): -40.8114 -40.8114 -40.8111 -40.8111 -40.7876 -40.7876 -40.7874 -40.7874 -40.5755 -40.5755 -40.5755 -40.5755 -5.4346 -5.4346 -4.8170 -4.8170 -4.0481 -4.0481 -2.1827 -2.1827 -1.1719 -1.1719 0.3810 0.3810 2.3533 2.3533 2.3808 2.3808 2.5299 2.5299 3.9983 3.9983 4.0403 4.0403 4.0860 4.0860 4.1734 4.1734 4.3310 4.3310 5.5295 5.5295 6.8645 6.8645 7.1313 7.1313 7.9939 7.9939 7.9949 7.9949 k = 0.0000 0.0000 0.7226 ( 22781 PWs) bands (ev): -40.8112 -40.8112 -40.8109 -40.8109 -40.7878 -40.7878 -40.7875 -40.7875 -40.5755 -40.5755 -40.5755 -40.5755 -5.3973 -5.3973 -4.7794 -4.7794 -4.0186 -4.0186 -2.1729 -2.1729 -1.1611 -1.1611 0.2895 0.2895 2.2920 2.2920 2.3126 2.3126 2.4617 2.4617 3.9484 3.9484 3.9581 3.9581 4.0911 4.0911 4.1619 4.1619 4.2498 4.2498 5.5388 5.5388 6.7059 6.7059 7.0519 7.0519 8.0937 8.0937 8.1162 8.1162 k = 0.0000 0.0000 0.7606 ( 22771 PWs) bands (ev): -40.8109 -40.8109 -40.8107 -40.8107 -40.7880 -40.7880 -40.7877 -40.7877 -40.5754 -40.5754 -40.5754 -40.5754 -5.3581 -5.3581 -4.7398 -4.7398 -3.9878 -3.9878 -2.1633 -2.1633 -1.1506 -1.1506 0.1981 0.1981 2.2311 2.2311 2.2474 2.2474 2.3951 2.3951 3.8575 3.8575 3.8889 3.8889 4.0939 4.0939 4.1583 4.1583 4.1882 4.1882 5.5541 5.5541 6.5470 6.5470 6.9551 6.9551 8.1602 8.1602 8.2447 8.2447 k = 0.0000 0.0000 0.7986 ( 22781 PWs) bands (ev): -40.8107 -40.8107 -40.8105 -40.8105 -40.7882 -40.7882 -40.7879 -40.7879 -40.5754 -40.5754 -40.5754 -40.5754 -5.3170 -5.3170 -4.6984 -4.6984 -3.9555 -3.9555 -2.1540 -2.1540 -1.1406 -1.1406 0.1067 0.1067 2.1689 2.1689 2.1873 2.1873 2.3305 2.3305 3.7689 3.7689 3.8117 3.8117 4.0765 4.0765 4.0940 4.0940 4.2110 4.2110 5.5746 5.5746 6.3884 6.3884 6.8470 6.8470 8.1726 8.1726 8.2278 8.2278 k = 0.0000 0.0000 0.8367 ( 22779 PWs) bands (ev): -40.8105 -40.8105 -40.8102 -40.8102 -40.7884 -40.7884 -40.7882 -40.7882 -40.5754 -40.5754 -40.5754 -40.5754 -5.2740 -5.2740 -4.6550 -4.6550 -3.9220 -3.9220 -2.1450 -2.1450 -1.1314 -1.1314 0.0155 0.0155 2.1057 2.1057 2.1322 2.1322 2.2681 2.2681 3.6832 3.6832 3.7331 3.7331 4.0014 4.0014 4.0730 4.0730 4.2458 4.2458 5.5991 5.5991 6.2306 6.2306 6.7311 6.7311 8.1140 8.1140 8.1725 8.1725 k = 0.0000 0.0000 0.8747 ( 22807 PWs) bands (ev): -40.8102 -40.8102 -40.8100 -40.8100 -40.7886 -40.7886 -40.7884 -40.7884 -40.5754 -40.5754 -40.5754 -40.5754 -5.2291 -5.2291 -4.6097 -4.6097 -3.8873 -3.8873 -2.1365 -2.1365 -1.1231 -1.1231 -0.0755 -0.0755 2.0432 2.0432 2.0809 2.0809 2.2081 2.2081 3.6004 3.6004 3.6553 3.6553 3.9221 3.9221 4.0492 4.0492 4.2838 4.2838 5.6259 5.6259 6.0745 6.0745 6.6095 6.6095 8.0272 8.0272 8.1109 8.1109 k = 0.0000 0.0000 0.9127 ( 22787 PWs) bands (ev): -40.8099 -40.8099 -40.8097 -40.8097 -40.7888 -40.7888 -40.7886 -40.7886 -40.5754 -40.5754 -40.5754 -40.5754 -5.1822 -5.1822 -4.5626 -4.5626 -3.8513 -3.8513 -2.1286 -2.1286 -1.1159 -1.1159 -0.1662 -0.1662 1.9821 1.9821 2.0327 2.0327 2.1509 2.1509 3.5210 3.5210 3.5792 3.5792 3.8432 3.8432 4.0196 4.0196 4.3232 4.3232 5.6521 5.6521 5.9223 5.9223 6.4836 6.4836 7.9367 7.9367 8.0341 8.0341 k = 0.0000 0.0000 0.9507 ( 22773 PWs) bands (ev): -40.8097 -40.8097 -40.8095 -40.8095 -40.7891 -40.7891 -40.7889 -40.7889 -40.5754 -40.5754 -40.5754 -40.5754 -5.1336 -5.1336 -4.5137 -4.5137 -3.8142 -3.8142 -2.1214 -2.1214 -1.1102 -1.1102 -0.2567 -0.2567 1.9229 1.9229 1.9873 1.9873 2.0967 2.0967 3.4449 3.4449 3.5053 3.5053 3.7653 3.7653 3.9851 3.9851 4.3631 4.3631 5.6630 5.6630 5.7875 5.7875 6.3546 6.3546 7.8460 7.8460 7.9478 7.9478 k = 0.0000 0.0000 0.9888 ( 22781 PWs) bands (ev): -40.8094 -40.8094 -40.8092 -40.8092 -40.7893 -40.7893 -40.7891 -40.7891 -40.5754 -40.5754 -40.5754 -40.5754 -5.0831 -5.0831 -4.4629 -4.4629 -3.7760 -3.7760 -2.1150 -2.1150 -1.1061 -1.1061 -0.3469 -0.3469 1.8657 1.8657 1.9448 1.9448 2.0456 2.0456 3.3724 3.3724 3.4338 3.4338 3.6885 3.6885 3.9465 3.9465 4.4029 4.4029 5.5803 5.5803 5.7479 5.7479 6.2233 6.2233 7.7564 7.7564 7.8562 7.8562 k = 0.0000 0.0000 1.0268 ( 22783 PWs) bands (ev): -40.8091 -40.8091 -40.8089 -40.8089 -40.7895 -40.7895 -40.7894 -40.7894 -40.5754 -40.5754 -40.5754 -40.5754 -5.0308 -5.0308 -4.4103 -4.4103 -3.7367 -3.7367 -2.1096 -2.1096 -1.1039 -1.1039 -0.4368 -0.4368 1.8107 1.8107 1.9049 1.9049 1.9980 1.9980 3.3037 3.3037 3.3650 3.3650 3.6130 3.6130 3.9046 3.9046 4.4419 4.4419 5.4389 5.4389 5.7675 5.7675 6.0909 6.0909 7.6685 7.6685 7.7617 7.7617 k = 0.0000 0.0000 1.0648 ( 22774 PWs) bands (ev): -40.8088 -40.8088 -40.8086 -40.8086 -40.7898 -40.7898 -40.7896 -40.7896 -40.5754 -40.5754 -40.5754 -40.5754 -4.9767 -4.9767 -4.3560 -4.3560 -3.6965 -3.6965 -2.1051 -2.1051 -1.1039 -1.1039 -0.5265 -0.5265 1.7580 1.7580 1.8677 1.8677 1.9540 1.9540 3.2390 3.2390 3.2989 3.2989 3.5390 3.5390 3.8598 3.8598 4.4796 4.4796 5.2919 5.2919 5.7903 5.7903 5.9601 5.9601 7.5829 7.5829 7.6659 7.6659 k = 0.0000 0.0000 1.1029 ( 22776 PWs) bands (ev): -40.8085 -40.8085 -40.8083 -40.8083 -40.7901 -40.7901 -40.7899 -40.7899 -40.5754 -40.5754 -40.5754 -40.5754 -4.9209 -4.9209 -4.2999 -4.2999 -3.6553 -3.6553 -2.1018 -2.1018 -1.1063 -1.1063 -0.6158 -0.6158 1.7077 1.7077 1.8330 1.8330 1.9139 1.9139 3.1786 3.1786 3.2358 3.2358 3.4666 3.4666 3.8128 3.8128 4.5154 4.5154 5.1456 5.1456 5.7816 5.7816 5.8599 5.8599 7.5003 7.5003 7.5700 7.5700 k = 0.0000 0.0000 1.1409 ( 22786 PWs) bands (ev): -40.8082 -40.8082 -40.8080 -40.8080 -40.7903 -40.7903 -40.7902 -40.7902 -40.5754 -40.5754 -40.5754 -40.5754 -4.8633 -4.8633 -4.2422 -4.2422 -3.6133 -3.6133 -2.0996 -2.0996 -1.1114 -1.1114 -0.7049 -0.7049 1.6598 1.6598 1.8007 1.8007 1.8779 1.8779 3.1225 3.1225 3.1757 3.1757 3.3960 3.3960 3.7640 3.7640 4.5484 4.5484 5.0013 5.0013 5.6698 5.6698 5.8608 5.8608 7.4213 7.4213 7.4749 7.4749 k = 0.0000 0.0000 1.1789 ( 22780 PWs) bands (ev): -40.8079 -40.8079 -40.8077 -40.8077 -40.7906 -40.7906 -40.7905 -40.7905 -40.5754 -40.5754 -40.5754 -40.5754 -4.8040 -4.8040 -4.1828 -4.1828 -3.5705 -3.5705 -2.0987 -2.0987 -1.1195 -1.1195 -0.7938 -0.7938 1.6145 1.6145 1.7706 1.7706 1.8462 1.8462 3.0711 3.0711 3.1188 3.1188 3.3275 3.3275 3.7137 3.7137 4.5775 4.5775 4.8599 4.8599 5.5369 5.5369 5.8805 5.8805 7.3461 7.3461 7.3815 7.3815 k = 0.0000 0.0000 1.2170 ( 22786 PWs) bands (ev): -40.8075 -40.8075 -40.8074 -40.8074 -40.7909 -40.7909 -40.7908 -40.7908 -40.5754 -40.5754 -40.5754 -40.5754 -4.7430 -4.7430 -4.1219 -4.1219 -3.5270 -3.5270 -2.0992 -2.0992 -1.1308 -1.1308 -0.8824 -0.8824 1.5717 1.5717 1.7425 1.7425 1.8189 1.8189 3.0245 3.0245 3.0651 3.0651 3.2611 3.2611 3.6623 3.6623 4.5996 4.5996 4.7243 4.7243 5.4022 5.4022 5.8999 5.8999 7.2735 7.2735 7.2923 7.2923 k = 0.0000 0.0000 1.2550 ( 22786 PWs) bands (ev): -40.8072 -40.8072 -40.8071 -40.8071 -40.7912 -40.7912 -40.7911 -40.7911 -40.5754 -40.5754 -40.5754 -40.5754 -4.6804 -4.6804 -4.0593 -4.0593 -3.4829 -3.4829 -2.1011 -2.1011 -1.1454 -1.1454 -0.9708 -0.9708 1.5316 1.5316 1.7161 1.7161 1.7962 1.7962 2.9829 2.9829 3.0148 3.0148 3.1970 3.1970 3.6100 3.6100 4.5662 4.5662 4.6421 4.6421 5.2677 5.2677 5.9173 5.9173 7.1934 7.1934 7.2188 7.2188 k = 0.0000 0.0000 1.2930 ( 22776 PWs) bands (ev): -40.8068 -40.8068 -40.8067 -40.8067 -40.7915 -40.7915 -40.7914 -40.7914 -40.5754 -40.5754 -40.5754 -40.5754 -4.6163 -4.6163 -3.9953 -3.9953 -3.4382 -3.4382 -2.1044 -2.1044 -1.1637 -1.1637 -1.0590 -1.0590 1.4942 1.4942 1.6913 1.6913 1.7782 1.7782 2.9464 2.9464 2.9682 2.9682 3.1355 3.1355 3.5571 3.5571 4.4419 4.4419 4.6482 4.6482 5.1343 5.1343 5.9320 5.9320 7.1076 7.1076 7.1602 7.1602 k = 0.0000 0.0000 1.3310 ( 22788 PWs) bands (ev): -40.8065 -40.8065 -40.8064 -40.8064 -40.7918 -40.7918 -40.7917 -40.7917 -40.5754 -40.5754 -40.5754 -40.5754 -4.5505 -4.5505 -3.9299 -3.9299 -3.3931 -3.3931 -2.1093 -2.1093 -1.1859 -1.1859 -1.1468 -1.1468 1.4595 1.4595 1.6678 1.6678 1.7651 1.7651 2.9140 2.9140 2.9264 2.9264 3.0768 3.0768 3.5037 3.5037 4.3130 4.3130 4.6554 4.6554 5.0026 5.0026 5.9442 5.9442 7.0232 7.0232 7.1103 7.1103 k = 0.0000 0.0000 1.3691 ( 22786 PWs) bands (ev): -40.8062 -40.8062 -40.8061 -40.8061 -40.7921 -40.7921 -40.7920 -40.7920 -40.5754 -40.5754 -40.5754 -40.5754 -4.4833 -4.4833 -3.8631 -3.8631 -3.3476 -3.3476 -2.1157 -2.1157 -1.2353 -1.2353 -1.2110 -1.2110 1.4275 1.4275 1.6452 1.6452 1.7569 1.7569 2.8804 2.8804 2.8951 2.8951 3.0212 3.0212 3.4500 3.4500 4.1864 4.1864 4.6556 4.6556 4.8738 4.8738 5.9537 5.9537 6.9416 6.9416 7.0689 7.0689 k = 0.0000 0.0000 1.4071 ( 22784 PWs) bands (ev): -40.8058 -40.8058 -40.8057 -40.8057 -40.7924 -40.7924 -40.7923 -40.7923 -40.5754 -40.5754 -40.5754 -40.5754 -4.4145 -4.4145 -3.7951 -3.7951 -3.3018 -3.3018 -2.1236 -2.1236 -1.3227 -1.3227 -1.2411 -1.2411 1.3982 1.3982 1.6235 1.6235 1.7535 1.7535 2.8453 2.8453 2.8745 2.8745 2.9690 2.9690 3.3963 3.3963 4.0630 4.0630 4.6444 4.6444 4.7512 4.7512 5.9610 5.9610 6.8630 6.8630 7.0364 7.0364 k = 0.0000 0.0000 1.4451 ( 22766 PWs) bands (ev): -40.8054 -40.8054 -40.8054 -40.8054 -40.7927 -40.7927 -40.7927 -40.7927 -40.5754 -40.5754 -40.5754 -40.5754 -4.3444 -4.3444 -3.7258 -3.7258 -3.2558 -3.2558 -2.1332 -2.1332 -1.4100 -1.4100 -1.2749 -1.2749 1.3716 1.3716 1.6023 1.6023 1.7550 1.7550 2.8129 2.8129 2.8597 2.8597 2.9212 2.9212 3.3426 3.3426 3.9429 3.9429 4.5932 4.5932 4.6632 4.6632 5.9661 5.9661 6.7877 6.7877 7.0129 7.0129 k = 0.0000 0.0000 1.4832 ( 22754 PWs) bands (ev): -40.8051 -40.8051 -40.8050 -40.8050 -40.7930 -40.7930 -40.7930 -40.7930 -40.5754 -40.5754 -40.5753 -40.5753 -4.2729 -4.2729 -3.6555 -3.6555 -3.2097 -3.2097 -2.1444 -2.1444 -1.4972 -1.4972 -1.3126 -1.3126 1.3478 1.3478 1.5815 1.5815 1.7614 1.7614 2.7840 2.7840 2.8460 2.8460 2.8822 2.8822 3.2893 3.2893 3.8264 3.8264 4.4837 4.4837 4.6281 4.6281 5.9694 5.9694 6.7159 6.7159 6.9987 6.9987 k = 0.0000 0.0000 1.5212 ( 22762 PWs) bands (ev): -40.8047 -40.8047 -40.8046 -40.8046 -40.7934 -40.7934 -40.7933 -40.7933 -40.5754 -40.5754 -40.5754 -40.5754 -4.2001 -4.2001 -3.5842 -3.5842 -3.1636 -3.1636 -2.1572 -2.1572 -1.5841 -1.5841 -1.3542 -1.3542 1.3267 1.3267 1.5610 1.5610 1.7725 1.7725 2.7586 2.7586 2.8196 2.8196 2.8659 2.8659 3.2363 3.2363 3.7135 3.7135 4.3668 4.3668 4.5956 4.5956 5.9712 5.9712 6.6475 6.6475 6.9936 6.9936 k = 0.0000 0.0000 1.5592 ( 22764 PWs) bands (ev): -40.8043 -40.8043 -40.8043 -40.8043 -40.7937 -40.7937 -40.7937 -40.7937 -40.5753 -40.5753 -40.5753 -40.5753 -4.1260 -4.1260 -3.5122 -3.5122 -3.1176 -3.1176 -2.1716 -2.1716 -1.6706 -1.6706 -1.3995 -1.3995 1.3083 1.3083 1.5405 1.5405 1.7882 1.7882 2.7365 2.7365 2.7854 2.7854 2.8676 2.8676 3.1840 3.1840 3.6041 3.6041 4.2518 4.2518 4.5571 4.5571 5.9719 5.9719 6.5826 6.5826 6.9973 6.9973 k = 0.0000 0.0000 1.5973 ( 22750 PWs) bands (ev): -40.8040 -40.8040 -40.8039 -40.8039 -40.7941 -40.7941 -40.7940 -40.7940 -40.5753 -40.5753 -40.5753 -40.5753 -4.0508 -4.0508 -3.4395 -3.4395 -3.0718 -3.0718 -2.1876 -2.1876 -1.7567 -1.7567 -1.4484 -1.4484 1.2925 1.2925 1.5202 1.5202 1.8084 1.8084 2.7167 2.7167 2.7543 2.7543 2.8775 2.8775 3.1326 3.1326 3.4985 3.4985 4.1401 4.1401 4.5118 4.5118 5.9718 5.9718 6.5213 6.5213 7.0090 7.0090 k = 0.0000 0.0000 1.6353 ( 22748 PWs) bands (ev): -40.8036 -40.8036 -40.8035 -40.8035 -40.7944 -40.7944 -40.7944 -40.7944 -40.5753 -40.5753 -40.5753 -40.5753 -3.9745 -3.9745 -3.3665 -3.3665 -3.0262 -3.0262 -2.2052 -2.2052 -1.8421 -1.8421 -1.5008 -1.5008 1.2793 1.2793 1.5000 1.5000 1.8330 1.8330 2.6970 2.6970 2.7305 2.7305 2.8933 2.8933 3.0822 3.0822 3.3965 3.3965 4.0327 4.0327 4.4601 4.4601 5.9712 5.9712 6.4637 6.4637 7.0282 7.0282 k = 0.0000 0.0000 1.6733 ( 22748 PWs) bands (ev): -40.8032 -40.8032 -40.8031 -40.8031 -40.7948 -40.7948 -40.7947 -40.7947 -40.5753 -40.5753 -40.5753 -40.5753 -3.8972 -3.8972 -3.2935 -3.2935 -2.9810 -2.9810 -2.2244 -2.2244 -1.9267 -1.9267 -1.5564 -1.5564 1.2686 1.2686 1.4799 1.4799 1.8616 1.8616 2.6757 2.6757 2.7163 2.7163 2.9140 2.9140 3.0331 3.0331 3.2982 3.2982 3.9301 3.9301 4.4027 4.4027 5.9705 5.9705 6.4096 6.4096 7.0538 7.0538 k = 0.0000 0.0000 1.7113 ( 22744 PWs) bands (ev): -40.8028 -40.8028 -40.8028 -40.8028 -40.7951 -40.7951 -40.7951 -40.7951 -40.5753 -40.5753 -40.5753 -40.5753 -3.8190 -3.8190 -3.2209 -3.2209 -2.9363 -2.9363 -2.2451 -2.2451 -2.0101 -2.0101 -1.6149 -1.6149 1.2604 1.2604 1.4599 1.4599 1.8943 1.8943 2.6547 2.6547 2.7101 2.7101 2.9375 2.9375 2.9864 2.9864 3.2038 3.2038 3.8331 3.8331 4.3405 4.3405 5.9701 5.9701 6.3590 6.3590 7.0849 7.0849 k = 0.0000 0.0000 1.7494 ( 22740 PWs) bands (ev): -40.8024 -40.8024 -40.8024 -40.8024 -40.7955 -40.7955 -40.7955 -40.7955 -40.5753 -40.5753 -40.5753 -40.5753 -3.7400 -3.7400 -3.1494 -3.1494 -2.8921 -2.8921 -2.2674 -2.2674 -2.0916 -2.0916 -1.6762 -1.6762 1.2546 1.2546 1.4403 1.4403 1.9307 1.9307 2.6361 2.6361 2.7099 2.7099 2.9345 2.9345 2.9699 2.9699 3.1139 3.1139 3.7428 3.7428 4.2743 4.2743 5.9701 5.9701 6.3120 6.3120 7.1206 7.1206 k = 0.0000 0.0000 1.7874 ( 22738 PWs) bands (ev): -40.8020 -40.8020 -40.8020 -40.8020 -40.7959 -40.7959 -40.7958 -40.7958 -40.5753 -40.5753 -40.5753 -40.5753 -3.6603 -3.6603 -3.0801 -3.0801 -2.8485 -2.8485 -2.2912 -2.2912 -2.1702 -2.1702 -1.7399 -1.7399 1.2510 1.2510 1.4209 1.4209 1.9708 1.9708 2.6208 2.6208 2.7149 2.7149 2.8916 2.8916 2.9881 2.9881 3.0360 3.0360 3.6607 3.6607 4.2050 4.2050 5.9710 5.9710 6.2685 6.2685 7.1600 7.1600 k = 0.0000 0.0000 1.8254 ( 22762 PWs) bands (ev): -40.8016 -40.8016 -40.8016 -40.8016 -40.7962 -40.7962 -40.7962 -40.7962 -40.5753 -40.5753 -40.5753 -40.5753 -3.5800 -3.5800 -3.0147 -3.0147 -2.8057 -2.8057 -2.3166 -2.3166 -2.2444 -2.2444 -1.8057 -1.8057 1.2496 1.2496 1.4021 1.4021 2.0142 2.0142 2.6093 2.6093 2.7243 2.7243 2.8484 2.8484 2.9357 2.9357 3.0338 3.0338 3.5892 3.5892 4.1333 4.1333 5.9730 5.9730 6.2284 6.2284 7.2023 7.2023 k = 0.0000 0.0000 1.8635 ( 22750 PWs) bands (ev): -40.8013 -40.8013 -40.8012 -40.8012 -40.7966 -40.7966 -40.7966 -40.7966 -40.5753 -40.5753 -40.5753 -40.5753 -3.4994 -3.4994 -2.9562 -2.9562 -2.7636 -2.7636 -2.3437 -2.3437 -2.3108 -2.3108 -1.8733 -1.8733 1.2504 1.2504 1.3839 1.3839 2.0609 2.0609 2.6017 2.6017 2.7364 2.7364 2.8058 2.8058 2.8622 2.8622 3.0544 3.0544 3.5324 3.5324 4.0602 4.0602 5.9764 5.9764 6.1916 6.1916 7.2465 7.2465 k = 0.0000 0.0000 1.9015 ( 22756 PWs) bands (ev): -40.8009 -40.8009 -40.8008 -40.8008 -40.7970 -40.7970 -40.7970 -40.7970 -40.5753 -40.5753 -40.5753 -40.5753 -3.4188 -3.4188 -2.9099 -2.9099 -2.7224 -2.7224 -2.3742 -2.3742 -2.3627 -2.3627 -1.9421 -1.9421 1.2531 1.2531 1.3663 1.3663 2.1107 2.1107 2.5977 2.5977 2.7317 2.7317 2.7771 2.7771 2.8006 2.8006 3.0658 3.0658 3.4956 3.4956 3.9864 3.9864 5.9814 5.9814 6.1582 6.1582 7.2922 7.2922 k = 0.0000 0.0000 1.9395 ( 22756 PWs) bands (ev): -40.8005 -40.8005 -40.8005 -40.8005 -40.7974 -40.7974 -40.7974 -40.7974 -40.5753 -40.5753 -40.5753 -40.5753 -3.3383 -3.3383 -2.8839 -2.8839 -2.6822 -2.6822 -2.4054 -2.4054 -2.3949 -2.3949 -2.0118 -2.0118 1.2577 1.2577 1.3495 1.3495 2.1634 2.1634 2.5964 2.5964 2.6777 2.6777 2.7559 2.7559 2.7922 2.7922 3.0615 3.0615 3.4839 3.4839 3.9127 3.9127 5.9881 5.9881 6.1279 6.1279 7.3386 7.3386 k = 0.0000 0.0000 1.9775 ( 22744 PWs) bands (ev): -40.8001 -40.8001 -40.8001 -40.8001 -40.7977 -40.7977 -40.7977 -40.7977 -40.5753 -40.5753 -40.5753 -40.5753 -3.2585 -3.2585 -2.8858 -2.8858 -2.6429 -2.6429 -2.4323 -2.4323 -2.4045 -2.4045 -2.0817 -2.0817 1.2641 1.2641 1.3337 1.3337 2.2189 2.2189 2.5862 2.5862 2.6244 2.6244 2.7213 2.7213 2.8195 2.8195 3.0405 3.0405 3.4976 3.4976 3.8400 3.8400 5.9969 5.9969 6.1007 6.1007 7.3853 7.3853 k = 0.0000 0.0000 2.0156 ( 22742 PWs) bands (ev): -40.7997 -40.7997 -40.7997 -40.7997 -40.7981 -40.7981 -40.7981 -40.7981 -40.5753 -40.5753 -40.5753 -40.5753 -3.1800 -3.1800 -2.9161 -2.9161 -2.6047 -2.6047 -2.4638 -2.4638 -2.3824 -2.3824 -2.1510 -2.1510 1.2721 1.2721 1.3189 1.3189 2.2770 2.2770 2.5312 2.5312 2.6194 2.6194 2.6921 2.6921 2.8522 2.8522 3.0075 3.0075 3.5316 3.5316 3.7690 3.7690 6.0078 6.0078 6.0766 6.0766 7.4319 7.4319 k = 0.0000 0.0000 2.0536 ( 22748 PWs) bands (ev): -40.7993 -40.7993 -40.7993 -40.7993 -40.7985 -40.7985 -40.7985 -40.7985 -40.5753 -40.5753 -40.5753 -40.5753 -3.1039 -3.1039 -2.9677 -2.9677 -2.5676 -2.5676 -2.4971 -2.4971 -2.3387 -2.3387 -2.2185 -2.2185 1.2817 1.2817 1.3052 1.3052 2.3377 2.3377 2.4655 2.4655 2.6304 2.6304 2.6673 2.6673 2.8887 2.8887 2.9686 2.9686 3.5798 3.5798 3.7010 3.7010 6.0211 6.0211 6.0554 6.0554 7.4781 7.4781 k = 0.0000 0.0000 2.0916 ( 22766 PWs) bands (ev): -40.7989 -40.7989 -40.7989 -40.7989 -40.7989 -40.7989 -40.7989 -40.7989 -40.5753 -40.5753 -40.5753 -40.5753 -3.0321 -3.0321 -3.0321 -3.0321 -2.5317 -2.5317 -2.5317 -2.5317 -2.2822 -2.2822 -2.2822 -2.2822 1.2928 1.2928 1.2928 1.2928 2.4006 2.4006 2.4006 2.4006 2.6467 2.6467 2.6467 2.6467 2.9281 2.9281 2.9281 2.9281 3.6372 3.6372 3.6372 3.6372 6.0369 6.0369 6.0369 6.0369 7.5238 7.5238 k = 0.0000 0.0000 2.0916 ( 22766 PWs) bands (ev): -40.7989 -40.7989 -40.7989 -40.7989 -40.7989 -40.7989 -40.7989 -40.7989 -40.5753 -40.5753 -40.5753 -40.5753 -3.0321 -3.0321 -3.0321 -3.0321 -2.5317 -2.5317 -2.5317 -2.5317 -2.2822 -2.2822 -2.2822 -2.2822 1.2928 1.2928 1.2928 1.2928 2.4006 2.4006 2.4006 2.4006 2.6467 2.6467 2.6467 2.6467 2.9281 2.9281 2.9281 2.9281 3.6372 3.6372 3.6372 3.6372 6.0369 6.0369 6.0369 6.0369 7.5238 7.5238 k =-0.0076 0.0308 2.0916 ( 22760 PWs) bands (ev): -40.7992 -40.7992 -40.7992 -40.7992 -40.7986 -40.7986 -40.7986 -40.7986 -40.5753 -40.5753 -40.5753 -40.5753 -3.0418 -3.0418 -3.0408 -3.0408 -2.5237 -2.5237 -2.5228 -2.5228 -2.2825 -2.2825 -2.2819 -2.2819 1.2919 1.2919 1.2942 1.2942 2.3965 2.3965 2.4020 2.4020 2.6468 2.6468 2.6486 2.6486 2.9298 2.9298 2.9356 2.9356 3.6362 3.6362 3.6383 3.6383 6.0374 6.0374 6.0378 6.0378 7.5241 7.5241 k =-0.0152 0.0615 2.0916 ( 22742 PWs) bands (ev): -40.7996 -40.7996 -40.7996 -40.7996 -40.7983 -40.7983 -40.7983 -40.7983 -40.5753 -40.5753 -40.5753 -40.5753 -3.0681 -3.0681 -3.0663 -3.0663 -2.5005 -2.5005 -2.4990 -2.4990 -2.2827 -2.2827 -2.2814 -2.2814 1.2914 1.2914 1.2960 1.2960 2.3899 2.3899 2.4006 2.4006 2.6492 2.6492 2.6527 2.6527 2.9404 2.9404 2.9517 2.9517 3.6352 3.6352 3.6393 3.6393 6.0393 6.0393 6.0401 6.0401 7.5281 7.5281 k =-0.0152 0.0615 2.0916 ( 22742 PWs) bands (ev): -40.7996 -40.7996 -40.7996 -40.7996 -40.7983 -40.7983 -40.7983 -40.7983 -40.5753 -40.5753 -40.5753 -40.5753 -3.0681 -3.0681 -3.0663 -3.0663 -2.5005 -2.5005 -2.4990 -2.4990 -2.2827 -2.2827 -2.2814 -2.2814 1.2914 1.2914 1.2960 1.2960 2.3899 2.3899 2.4006 2.4006 2.6492 2.6492 2.6527 2.6527 2.9404 2.9404 2.9517 2.9517 3.6352 3.6352 3.6393 3.6393 6.0393 6.0393 6.0401 6.0401 7.5281 7.5281 k =-0.0215 0.0875 2.0650 ( 22770 PWs) bands (ev): -40.8001 -40.8001 -40.7996 -40.7996 -40.7983 -40.7983 -40.7977 -40.7977 -40.5753 -40.5753 -40.5753 -40.5753 -3.1435 -3.1435 -3.0580 -3.0580 -2.5033 -2.5033 -2.4402 -2.4402 -2.3233 -2.3233 -2.2365 -2.2365 1.2871 1.2871 1.3027 1.3027 2.3451 2.3451 2.4361 2.4361 2.6419 2.6419 2.6709 2.6709 2.9355 2.9355 2.9926 2.9926 3.5967 3.5967 3.6809 3.6809 6.0307 6.0307 6.0557 6.0557 7.5065 7.5065 k =-0.0279 0.1134 2.0383 ( 22763 PWs) bands (ev): -40.8006 -40.8006 -40.7996 -40.7996 -40.7983 -40.7983 -40.7972 -40.7972 -40.5753 -40.5753 -40.5753 -40.5753 -3.2241 -3.2241 -3.0641 -3.0641 -2.5076 -2.5076 -2.3790 -2.3790 -2.3522 -2.3522 -2.1883 -2.1883 1.2841 1.2841 1.3107 1.3107 2.2952 2.2952 2.4758 2.4758 2.6350 2.6350 2.6948 2.6948 2.9343 2.9343 3.0432 3.0432 3.5613 3.5613 3.7260 3.7260 6.0235 6.0235 6.0748 6.0748 7.4843 7.4843 k =-0.0343 0.1393 2.0116 ( 22765 PWs) bands (ev): -40.8012 -40.8012 -40.7996 -40.7996 -40.7983 -40.7983 -40.7966 -40.7966 -40.5753 -40.5753 -40.5753 -40.5753 -3.3066 -3.3066 -3.0831 -3.0831 -2.5137 -2.5137 -2.4025 -2.4025 -2.2845 -2.2845 -2.1392 -2.1392 1.2846 1.2846 1.3181 1.3181 2.2450 2.2450 2.5148 2.5148 2.6292 2.6292 2.7222 2.7222 2.9415 2.9415 3.0989 3.0989 3.5322 3.5322 3.7717 3.7717 6.0180 6.0180 6.0975 6.0975 7.4642 7.4642 k =-0.0407 0.1652 1.9849 ( 22748 PWs) bands (ev): -40.8017 -40.8017 -40.7996 -40.7996 -40.7983 -40.7983 -40.7961 -40.7961 -40.5753 -40.5753 -40.5753 -40.5753 -3.3895 -3.3895 -3.1121 -3.1121 -2.5218 -2.5218 -2.4361 -2.4361 -2.1974 -2.1974 -2.0906 -2.0906 1.2892 1.2892 1.3248 1.3248 2.1948 2.1948 2.5521 2.5521 2.6244 2.6244 2.7523 2.7523 2.9574 2.9574 3.1593 3.1593 3.5110 3.5110 3.8173 3.8173 6.0142 6.0142 6.1243 6.1243 7.4462 7.4462 k =-0.0470 0.1911 1.9582 ( 22756 PWs) bands (ev): -40.8023 -40.8023 -40.7996 -40.7996 -40.7983 -40.7983 -40.7956 -40.7956 -40.5753 -40.5753 -40.5753 -40.5753 -3.4720 -3.4720 -3.1488 -3.1488 -2.5321 -2.5321 -2.4682 -2.4682 -2.1046 -2.1046 -2.0436 -2.0436 1.2988 1.2988 1.3309 1.3309 2.1448 2.1448 2.5845 2.5845 2.6223 2.6223 2.7850 2.7850 2.9820 2.9820 3.2244 3.2244 3.4993 3.4993 3.8623 3.8623 6.0122 6.0122 6.1555 6.1555 7.4300 7.4300 k =-0.0534 0.2170 1.9315 ( 22764 PWs) bands (ev): -40.8028 -40.8028 -40.7996 -40.7996 -40.7983 -40.7983 -40.7951 -40.7951 -40.5753 -40.5753 -40.5753 -40.5753 -3.5534 -3.5534 -3.1913 -3.1913 -2.5443 -2.5443 -2.4989 -2.4989 -2.0083 -2.0083 -1.9988 -1.9988 1.3133 1.3133 1.3370 1.3370 2.0953 2.0953 2.6002 2.6002 2.6318 2.6318 2.8210 2.8210 3.0148 3.0148 3.2946 3.2946 3.4980 3.4980 3.9061 3.9061 6.0120 6.0120 6.1916 6.1916 7.4155 7.4155 k =-0.0598 0.2429 1.9048 ( 22754 PWs) bands (ev): -40.8033 -40.8033 -40.7996 -40.7996 -40.7983 -40.7983 -40.7946 -40.7946 -40.5753 -40.5753 -40.5753 -40.5753 -3.6335 -3.6335 -3.2380 -3.2380 -2.5584 -2.5584 -2.5285 -2.5285 -1.9576 -1.9576 -1.9088 -1.9088 1.3299 1.3299 1.3467 1.3467 2.0467 2.0467 2.5991 2.5991 2.6501 2.6501 2.8626 2.8626 3.0553 3.0553 3.3699 3.3699 3.5076 3.5076 3.9484 3.9484 6.0139 6.0139 6.2329 6.2329 7.4026 7.4026 k =-0.0662 0.2689 1.8781 ( 22756 PWs) bands (ev): -40.8038 -40.8038 -40.7996 -40.7996 -40.7983 -40.7983 -40.7941 -40.7941 -40.5753 -40.5753 -40.5753 -40.5753 -3.7119 -3.7119 -3.2876 -3.2876 -2.5741 -2.5741 -2.5571 -2.5571 -1.9198 -1.9198 -1.8079 -1.8079 1.3395 1.3395 1.3698 1.3698 1.9994 1.9994 2.5941 2.5941 2.6618 2.6618 2.9117 2.9117 3.1028 3.1028 3.4503 3.4503 3.5279 3.5279 3.9890 3.9890 6.0181 6.0181 6.2798 6.2798 7.3909 7.3909 k =-0.0726 0.2948 1.8515 ( 22768 PWs) bands (ev): -40.8044 -40.8044 -40.7996 -40.7996 -40.7983 -40.7983 -40.7936 -40.7936 -40.5753 -40.5753 -40.5753 -40.5753 -3.7884 -3.7884 -3.3392 -3.3392 -2.5913 -2.5913 -2.5851 -2.5851 -1.8861 -1.8861 -1.7061 -1.7061 1.3450 1.3450 1.4037 1.4037 1.9540 1.9540 2.5881 2.5881 2.6642 2.6642 2.9690 2.9690 3.1567 3.1567 3.5310 3.5310 3.5625 3.5625 4.0279 4.0279 6.0247 6.0247 6.3326 6.3326 7.3801 7.3801 k =-0.0789 0.3207 1.8248 ( 22779 PWs) bands (ev): -40.8049 -40.8049 -40.7996 -40.7996 -40.7983 -40.7983 -40.7931 -40.7931 -40.5753 -40.5753 -40.5753 -40.5753 -3.8630 -3.8630 -3.3919 -3.3919 -2.6129 -2.6129 -2.6096 -2.6096 -1.8566 -1.8566 -1.6040 -1.6040 1.3501 1.3501 1.4445 1.4445 1.9115 1.9115 2.5816 2.5816 2.6585 2.6585 3.0340 3.0340 3.2162 3.2162 3.5827 3.5827 3.6389 3.6389 4.0650 4.0650 6.0342 6.0342 6.3913 6.3913 7.3701 7.3701 k =-0.0853 0.3466 1.7981 ( 22783 PWs) bands (ev): -40.8054 -40.8054 -40.7996 -40.7996 -40.7983 -40.7983 -40.7926 -40.7926 -40.5754 -40.5754 -40.5753 -40.5753 -3.9353 -3.9353 -3.4451 -3.4451 -2.6401 -2.6401 -2.6291 -2.6291 -1.8315 -1.8315 -1.5023 -1.5023 1.3559 1.3559 1.4903 1.4903 1.8738 1.8738 2.5747 2.5747 2.6469 2.6469 3.1056 3.1056 3.2805 3.2805 3.6238 3.6238 3.7366 3.7366 4.1008 4.1008 6.0467 6.0467 6.4561 6.4561 7.3604 7.3604 k =-0.0917 0.3725 1.7714 ( 22781 PWs) bands (ev): -40.8059 -40.8059 -40.7996 -40.7996 -40.7983 -40.7983 -40.7921 -40.7921 -40.5754 -40.5754 -40.5753 -40.5753 -4.0055 -4.0055 -3.4984 -3.4984 -2.6671 -2.6671 -2.6495 -2.6495 -1.8108 -1.8108 -1.4016 -1.4016 1.3629 1.3629 1.5370 1.5370 1.8447 1.8447 2.5673 2.5673 2.6317 2.6317 3.1830 3.1830 3.3487 3.3487 3.6668 3.6668 3.8415 3.8415 4.1357 4.1357 6.0625 6.0625 6.5268 6.5268 7.3507 7.3507 k =-0.0981 0.3984 1.7447 ( 22773 PWs) bands (ev): -40.8063 -40.8063 -40.7996 -40.7996 -40.7983 -40.7983 -40.7917 -40.7917 -40.5754 -40.5754 -40.5753 -40.5753 -4.0733 -4.0733 -3.5512 -3.5512 -2.6938 -2.6938 -2.6706 -2.6706 -1.7943 -1.7943 -1.3026 -1.3026 1.3717 1.3717 1.5762 1.5762 1.8330 1.8330 2.5596 2.5596 2.6147 2.6147 3.2650 3.2650 3.4198 3.4198 3.7114 3.7114 3.9522 3.9522 4.1704 4.1704 6.0819 6.0819 6.6035 6.6035 7.3408 7.3408 k =-0.1045 0.4243 1.7180 ( 22775 PWs) bands (ev): -40.8068 -40.8068 -40.7996 -40.7996 -40.7983 -40.7983 -40.7913 -40.7913 -40.5754 -40.5754 -40.5753 -40.5753 -4.1388 -4.1388 -3.6033 -3.6033 -2.7203 -2.7203 -2.6922 -2.6922 -1.7820 -1.7820 -1.2059 -1.2059 1.3826 1.3826 1.5947 1.5947 1.8515 1.8515 2.5513 2.5513 2.5975 2.5975 3.3509 3.3509 3.4925 3.4925 3.7572 3.7572 4.0681 4.0681 4.2062 4.2062 6.1049 6.1049 6.6860 6.6860 7.3304 7.3304 k =-0.1108 0.4503 1.6913 ( 22769 PWs) bands (ev): -40.8073 -40.8073 -40.7996 -40.7996 -40.7984 -40.7984 -40.7908 -40.7908 -40.5754 -40.5754 -40.5753 -40.5753 -4.2018 -4.2018 -3.6544 -3.6544 -2.7464 -2.7464 -2.7141 -2.7141 -1.7734 -1.7734 -1.1120 -1.1120 1.3960 1.3960 1.5884 1.5884 1.9044 1.9044 2.5426 2.5426 2.5816 2.5816 3.4392 3.4392 3.5652 3.5652 3.8043 3.8043 4.1884 4.1884 4.2445 4.2445 6.1318 6.1318 6.7738 6.7738 7.3192 7.3192 k =-0.1172 0.4762 1.6646 ( 22774 PWs) bands (ev): -40.8077 -40.8077 -40.7997 -40.7997 -40.7984 -40.7984 -40.7904 -40.7904 -40.5754 -40.5754 -40.5754 -40.5754 -4.2624 -4.2624 -3.7043 -3.7043 -2.7722 -2.7722 -2.7362 -2.7362 -1.7683 -1.7683 -1.0218 -1.0218 1.4121 1.4121 1.5664 1.5664 1.9821 1.9821 2.5334 2.5334 2.5680 2.5680 3.5284 3.5284 3.6362 3.6362 3.8532 3.8532 4.2846 4.2846 4.3154 4.3154 6.1626 6.1626 6.8667 6.8667 7.3070 7.3070 k =-0.1236 0.5021 1.6379 ( 22788 PWs) bands (ev): -40.8081 -40.8081 -40.7997 -40.7997 -40.7984 -40.7984 -40.7900 -40.7900 -40.5754 -40.5754 -40.5754 -40.5754 -4.3204 -4.3204 -3.7527 -3.7527 -2.7975 -2.7975 -2.7584 -2.7584 -1.7664 -1.7664 -0.9357 -0.9357 1.4310 1.4310 1.5376 1.5376 2.0757 2.0757 2.5242 2.5242 2.5578 2.5578 3.6159 3.6159 3.7031 3.7031 3.9058 3.9058 4.3337 4.3337 4.4432 4.4432 6.1970 6.1970 6.9642 6.9642 7.2938 7.2938 k =-0.1300 0.5280 1.6113 ( 22800 PWs) bands (ev): -40.8086 -40.8086 -40.7997 -40.7997 -40.7984 -40.7984 -40.7896 -40.7896 -40.5754 -40.5754 -40.5754 -40.5754 -4.3759 -4.3759 -3.7995 -3.7995 -2.8223 -2.8223 -2.7804 -2.7804 -1.7671 -1.7671 -0.8544 -0.8544 1.4525 1.4525 1.5063 1.5063 2.1802 2.1802 2.5153 2.5153 2.5516 2.5516 3.6979 3.6979 3.7637 3.7637 3.9654 3.9654 4.3903 4.3903 4.5751 4.5751 6.2349 6.2349 7.0657 7.0657 7.2794 7.2794 k =-0.1364 0.5539 1.5846 ( 22766 PWs) bands (ev): -40.8089 -40.8089 -40.7997 -40.7997 -40.7984 -40.7984 -40.7893 -40.7893 -40.5754 -40.5754 -40.5754 -40.5754 -4.4288 -4.4288 -3.8447 -3.8447 -2.8465 -2.8465 -2.8021 -2.8021 -1.7703 -1.7703 -0.7783 -0.7783 1.4725 1.4725 1.4780 1.4780 2.2931 2.2931 2.5071 2.5071 2.5507 2.5507 3.7703 3.7703 3.8159 3.8159 4.0361 4.0361 4.4564 4.4564 4.7097 4.7097 6.2760 6.2760 7.1703 7.1703 7.2643 7.2643 k =-0.1427 0.5798 1.5579 ( 22786 PWs) bands (ev): -40.8093 -40.8093 -40.7997 -40.7997 -40.7984 -40.7984 -40.7889 -40.7889 -40.5754 -40.5754 -40.5754 -40.5754 -4.4792 -4.4792 -3.8879 -3.8879 -2.8700 -2.8700 -2.8235 -2.8235 -1.7754 -1.7754 -0.7080 -0.7080 1.4424 1.4424 1.5021 1.5021 2.4109 2.4109 2.5007 2.5007 2.5571 2.5571 3.8305 3.8305 3.8588 3.8588 4.1201 4.1201 4.5331 4.5331 4.8465 4.8465 6.3197 6.3197 7.2438 7.2438 7.2816 7.2816 k =-0.1491 0.6057 1.5312 ( 22786 PWs) bands (ev): -40.8097 -40.8097 -40.7997 -40.7997 -40.7984 -40.7984 -40.7886 -40.7886 -40.5754 -40.5754 -40.5754 -40.5754 -4.5269 -4.5269 -3.9293 -3.9293 -2.8927 -2.8927 -2.8443 -2.8443 -1.7821 -1.7821 -0.6435 -0.6435 1.4116 1.4116 1.5285 1.5285 2.4828 2.4828 2.5381 2.5381 2.5802 2.5802 3.8790 3.8790 3.8930 3.8930 4.2163 4.2163 4.6199 4.6199 4.9845 4.9845 6.3652 6.3652 7.2275 7.2275 7.3891 7.3891 k =-0.1555 0.6317 1.5045 ( 22782 PWs) bands (ev): -40.8100 -40.8100 -40.7997 -40.7997 -40.7984 -40.7984 -40.7882 -40.7882 -40.5754 -40.5754 -40.5754 -40.5754 -4.5719 -4.5719 -3.9686 -3.9686 -2.9146 -2.9146 -2.8645 -2.8645 -1.7901 -1.7901 -0.5852 -0.5852 1.3821 1.3821 1.5549 1.5549 2.4782 2.4782 2.5850 2.5850 2.6851 2.6851 3.9171 3.9171 3.9209 3.9209 4.3214 4.3214 4.7159 4.7159 5.1227 5.1227 6.4120 6.4120 7.2080 7.2080 7.4985 7.4985 k =-0.1619 0.6576 1.4778 ( 22790 PWs) bands (ev): -40.8104 -40.8104 -40.7997 -40.7997 -40.7984 -40.7984 -40.7879 -40.7879 -40.5754 -40.5754 -40.5754 -40.5754 -4.6143 -4.6143 -4.0058 -4.0058 -2.9355 -2.9355 -2.8840 -2.8840 -1.7990 -1.7990 -0.5330 -0.5330 1.3539 1.3539 1.5801 1.5801 2.4703 2.4703 2.6196 2.6196 2.8208 2.8208 3.9403 3.9403 3.9511 3.9511 4.4325 4.4325 4.8195 4.8195 5.2596 5.2596 6.4592 6.4592 7.1869 7.1869 7.6062 7.6062 k =-0.1683 0.6835 1.4511 ( 22790 PWs) bands (ev): -40.8107 -40.8107 -40.7997 -40.7997 -40.7984 -40.7984 -40.7877 -40.7877 -40.5754 -40.5754 -40.5754 -40.5754 -4.6541 -4.6541 -4.0408 -4.0408 -2.9554 -2.9554 -2.9026 -2.9026 -1.8086 -1.8086 -0.4867 -0.4867 1.3272 1.3272 1.6031 1.6031 2.4620 2.4620 2.6635 2.6635 2.9626 2.9626 3.9574 3.9574 3.9781 3.9781 4.5472 4.5472 4.9293 4.9293 5.3932 5.3932 6.5064 6.5064 7.1638 7.1638 7.7089 7.7089 k =-0.1746 0.7094 1.4244 ( 22790 PWs) bands (ev): -40.8110 -40.8110 -40.7997 -40.7997 -40.7984 -40.7984 -40.7874 -40.7874 -40.5754 -40.5754 -40.5754 -40.5754 -4.6911 -4.6911 -4.0736 -4.0736 -2.9743 -2.9743 -2.9203 -2.9203 -1.8186 -1.8186 -0.4462 -0.4462 1.3022 1.3022 1.6233 1.6233 2.4538 2.4538 2.7180 2.7180 3.1079 3.1079 3.9720 3.9720 4.0016 4.0016 4.6636 4.6636 5.0437 5.0437 5.5206 5.5206 6.5538 6.5538 7.1384 7.1384 7.8007 7.8007 k =-0.1810 0.7353 1.3978 ( 22780 PWs) bands (ev): -40.8113 -40.8113 -40.7998 -40.7998 -40.7985 -40.7985 -40.7871 -40.7871 -40.5754 -40.5754 -40.5754 -40.5754 -4.7254 -4.7254 -4.1041 -4.1041 -2.9920 -2.9920 -2.9370 -2.9370 -1.8287 -1.8287 -0.4110 -0.4110 1.2789 1.2789 1.6402 1.6402 2.4458 2.4458 2.7831 2.7831 3.2552 3.2552 3.9856 3.9856 4.0225 4.0225 4.7801 4.7801 5.1613 5.1613 5.6377 5.6377 6.6030 6.6030 7.1099 7.1099 7.8287 7.8287 k =-0.1874 0.7612 1.3711 ( 22773 PWs) bands (ev): -40.8115 -40.8115 -40.7998 -40.7998 -40.7985 -40.7985 -40.7869 -40.7869 -40.5754 -40.5754 -40.5754 -40.5754 -4.7571 -4.7571 -4.1324 -4.1324 -3.0085 -3.0085 -2.9526 -2.9526 -1.8387 -1.8387 -0.3807 -0.3807 1.2573 1.2573 1.6538 1.6538 2.4382 2.4382 2.8577 2.8577 3.4019 3.4019 4.0005 4.0005 4.0420 4.0420 4.8947 4.8947 5.2808 5.2808 5.7391 5.7391 6.6572 6.6572 7.0771 7.0771 7.8148 7.8148 k =-0.1938 0.7871 1.3444 ( 22766 PWs) bands (ev): -40.8117 -40.8117 -40.7998 -40.7998 -40.7985 -40.7985 -40.7867 -40.7867 -40.5754 -40.5754 -40.5754 -40.5754 -4.7860 -4.7860 -4.1583 -4.1583 -3.0237 -3.0237 -2.9671 -2.9671 -1.8484 -1.8484 -0.3549 -0.3549 1.2374 1.2374 1.6642 1.6642 2.4309 2.4309 2.9405 2.9405 3.5440 3.5440 4.0201 4.0201 4.0618 4.0618 5.0050 5.0050 5.4007 5.4007 5.8189 5.8189 6.7216 6.7216 7.0384 7.0384 7.8091 7.8091 k =-0.2002 0.8130 1.3177 ( 22756 PWs) bands (ev): -40.8120 -40.8120 -40.7998 -40.7998 -40.7985 -40.7985 -40.7865 -40.7865 -40.5754 -40.5754 -40.5754 -40.5754 -4.8121 -4.8121 -4.1818 -4.1818 -3.0377 -3.0377 -2.9804 -2.9804 -1.8577 -1.8577 -0.3331 -0.3331 1.2194 1.2194 1.6718 1.6718 2.4242 2.4242 3.0296 3.0296 3.6729 3.6729 4.0483 4.0483 4.0865 4.0865 5.1080 5.1080 5.5195 5.5195 5.8734 5.8734 6.8010 6.8010 6.9916 6.9916 7.8105 7.8105 k =-0.2065 0.8390 1.2910 ( 22755 PWs) bands (ev): -40.8121 -40.8121 -40.7998 -40.7998 -40.7985 -40.7985 -40.7863 -40.7863 -40.5754 -40.5754 -40.5754 -40.5754 -4.8356 -4.8356 -4.2029 -4.2029 -3.0503 -3.0503 -2.9924 -2.9924 -1.8663 -1.8663 -0.3149 -0.3149 1.2033 1.2033 1.6771 1.6771 2.4179 2.4179 3.1226 3.1226 3.7746 3.7746 4.0792 4.0792 4.1365 4.1365 5.1990 5.1990 5.6357 5.6357 5.9039 5.9039 6.8893 6.8893 6.9419 6.9419 7.7562 7.7562 k =-0.2129 0.8649 1.2643 ( 22771 PWs) bands (ev): -40.8123 -40.8123 -40.7998 -40.7998 -40.7985 -40.7985 -40.7862 -40.7862 -40.5754 -40.5754 -40.5754 -40.5754 -4.8563 -4.8563 -4.2215 -4.2215 -3.0615 -3.0615 -3.0031 -3.0031 -1.8743 -1.8743 -0.2998 -0.2998 1.1890 1.1890 1.6806 1.6806 2.4123 2.4123 3.2166 3.2166 3.8390 3.8390 4.1035 4.1035 4.2315 4.2315 5.2716 5.2716 5.7472 5.7472 5.9186 5.9186 6.8507 6.8507 7.0208 7.0208 7.6633 7.6633 k =-0.2193 0.8908 1.2376 ( 22757 PWs) bands (ev): -40.8125 -40.8125 -40.7998 -40.7998 -40.7985 -40.7985 -40.7860 -40.7860 -40.5754 -40.5754 -40.5754 -40.5754 -4.8742 -4.8742 -4.2377 -4.2377 -3.0713 -3.0713 -3.0124 -3.0124 -1.8814 -1.8814 -0.2876 -0.2876 1.1765 1.1765 1.6827 1.6827 2.4074 2.4074 3.3085 3.3085 3.8735 3.8735 4.1268 4.1268 4.3575 4.3575 5.3182 5.3182 5.8511 5.8511 5.9308 5.9308 6.7604 6.7604 7.1475 7.1475 7.5782 7.5782 k =-0.2257 0.9167 1.2109 ( 22754 PWs) bands (ev): -40.8126 -40.8126 -40.7998 -40.7998 -40.7985 -40.7985 -40.7859 -40.7859 -40.5754 -40.5754 -40.5754 -40.5754 -4.8894 -4.8894 -4.2515 -4.2515 -3.0796 -3.0796 -3.0204 -3.0204 -1.8875 -1.8875 -0.2778 -0.2778 1.1660 1.1660 1.6839 1.6839 2.4031 2.4031 3.3945 3.3945 3.8917 3.8917 4.1524 4.1524 4.4967 4.4967 5.3334 5.3334 5.9340 5.9340 5.9623 5.9623 6.6537 6.6537 7.2831 7.2831 7.5090 7.5090 k =-0.2321 0.9426 1.1843 ( 22751 PWs) bands (ev): -40.8127 -40.8127 -40.7998 -40.7998 -40.7985 -40.7985 -40.7858 -40.7858 -40.5754 -40.5754 -40.5754 -40.5754 -4.9019 -4.9019 -4.2628 -4.2628 -3.0865 -3.0865 -3.0270 -3.0270 -1.8926 -1.8926 -0.2701 -0.2701 1.1574 1.1574 1.6845 1.6845 2.3995 2.3995 3.4706 3.4706 3.9015 3.9015 4.1809 4.1809 4.6368 4.6368 5.3197 5.3197 5.9717 5.9717 6.0377 6.0377 6.5375 6.5375 7.4146 7.4146 7.4640 7.4640 k =-0.2384 0.9685 1.1576 ( 22757 PWs) bands (ev): -40.8128 -40.8128 -40.7998 -40.7998 -40.7985 -40.7985 -40.7858 -40.7858 -40.5754 -40.5754 -40.5754 -40.5754 -4.9115 -4.9115 -4.2715 -4.2715 -3.0918 -3.0918 -3.0321 -3.0321 -1.8967 -1.8967 -0.2644 -0.2644 1.1506 1.1506 1.6846 1.6846 2.3968 2.3968 3.5332 3.5332 3.9069 3.9069 4.2113 4.2113 4.7676 4.7676 5.2879 5.2879 6.0068 6.0068 6.1063 6.1063 6.4218 6.4218 7.4136 7.4136 7.5636 7.5636 k =-0.2448 0.9944 1.1309 ( 22759 PWs) bands (ev): -40.8128 -40.8128 -40.7998 -40.7998 -40.7985 -40.7985 -40.7857 -40.7857 -40.5754 -40.5754 -40.5754 -40.5754 -4.9184 -4.9184 -4.2778 -4.2778 -3.0956 -3.0956 -3.0358 -3.0358 -1.8996 -1.8996 -0.2604 -0.2604 1.1458 1.1458 1.6846 1.6846 2.3947 2.3947 3.5793 3.5793 3.9098 3.9098 4.2400 4.2400 4.8779 4.8779 5.2521 5.2521 6.0384 6.0384 6.1573 6.1573 6.3204 6.3204 7.3900 7.3900 7.6857 7.6857 k =-0.2512 1.0204 1.1042 ( 22765 PWs) bands (ev): -40.8129 -40.8129 -40.7998 -40.7998 -40.7985 -40.7985 -40.7857 -40.7857 -40.5754 -40.5754 -40.5754 -40.5754 -4.9226 -4.9226 -4.2816 -4.2816 -3.0979 -3.0979 -3.0380 -3.0380 -1.9014 -1.9014 -0.2581 -0.2581 1.1429 1.1429 1.6846 1.6846 2.3935 2.3935 3.6074 3.6074 3.9112 3.9112 4.2614 4.2614 4.9532 4.9532 5.2256 5.2256 6.0601 6.0601 6.1846 6.1846 6.2527 6.2527 7.3762 7.3762 7.7785 7.7785 k =-0.2576 1.0463 1.0775 ( 22760 PWs) bands (ev): -40.8129 -40.8129 -40.7998 -40.7998 -40.7985 -40.7985 -40.7857 -40.7857 -40.5754 -40.5754 -40.5754 -40.5754 -4.9240 -4.9240 -4.2828 -4.2828 -3.0987 -3.0987 -3.0387 -3.0387 -1.9020 -1.9020 -0.2573 -0.2573 1.1420 1.1420 1.6845 1.6845 2.3931 2.3931 3.6167 3.6167 3.9117 3.9117 4.2695 4.2695 4.9800 4.9800 5.2162 5.2162 6.0678 6.0678 6.1874 6.1874 6.2342 6.2342 7.3717 7.3717 7.8151 7.8151 k =-0.2576 1.0463 1.0775 ( 22760 PWs) bands (ev): -40.8129 -40.8129 -40.7998 -40.7998 -40.7985 -40.7985 -40.7857 -40.7857 -40.5754 -40.5754 -40.5754 -40.5754 -4.9240 -4.9240 -4.2828 -4.2828 -3.0987 -3.0987 -3.0387 -3.0387 -1.9020 -1.9020 -0.2573 -0.2573 1.1420 1.1420 1.6845 1.6845 2.3931 2.3931 3.6167 3.6167 3.9117 3.9117 4.2695 4.2695 4.9800 4.9800 5.2162 5.2162 6.0678 6.0678 6.1874 6.1874 6.2342 6.2342 7.3717 7.3717 7.8151 7.8151 k =-0.2511 1.0201 1.0506 ( 22754 PWs) bands (ev): -40.8129 -40.8129 -40.7992 -40.7992 -40.7990 -40.7990 -40.7857 -40.7857 -40.5754 -40.5754 -40.5754 -40.5754 -4.9246 -4.9246 -4.2673 -4.2673 -3.0937 -3.0937 -3.0706 -3.0706 -1.8707 -1.8707 -0.2816 -0.2816 1.1163 1.1163 1.7152 1.7152 2.3696 2.3696 3.6349 3.6349 3.9310 3.9310 4.2776 4.2776 4.9720 4.9720 5.2010 5.2010 6.1231 6.1231 6.1857 6.1857 6.2123 6.2123 7.2976 7.2976 7.7898 7.7898 k =-0.2447 0.9940 1.0236 ( 22754 PWs) bands (ev): -40.8129 -40.8129 -40.7996 -40.7996 -40.7987 -40.7987 -40.7857 -40.7857 -40.5754 -40.5754 -40.5754 -40.5754 -4.9284 -4.9284 -4.2588 -4.2588 -3.1506 -3.1506 -3.0372 -3.0372 -1.8345 -1.8345 -0.3033 -0.3033 1.0949 1.0949 1.7493 1.7493 2.3497 2.3497 3.6576 3.6576 3.9522 3.9522 4.2803 4.2803 4.9555 4.9555 5.1871 5.1871 6.1607 6.1607 6.1788 6.1788 6.2224 6.2224 7.2283 7.2283 7.7642 7.7642 k =-0.2383 0.9678 0.9967 ( 22764 PWs) bands (ev): -40.8129 -40.8129 -40.8002 -40.8002 -40.7981 -40.7981 -40.7857 -40.7857 -40.5754 -40.5754 -40.5754 -40.5754 -4.9354 -4.9354 -4.2573 -4.2573 -3.2083 -3.2083 -2.9986 -2.9986 -1.7945 -1.7945 -0.3224 -0.3224 1.0775 1.0775 1.7871 1.7871 2.3347 2.3347 3.6835 3.6835 3.9741 3.9741 4.2777 4.2777 4.9308 4.9308 5.1757 5.1757 6.1374 6.1374 6.2332 6.2332 6.2403 6.2403 7.1641 7.1641 7.7386 7.7386 k =-0.2318 0.9416 0.9698 ( 22758 PWs) bands (ev): -40.8129 -40.8129 -40.8007 -40.8007 -40.7976 -40.7976 -40.7857 -40.7857 -40.5754 -40.5754 -40.5754 -40.5754 -4.9456 -4.9456 -4.2625 -4.2625 -3.2659 -3.2659 -2.9552 -2.9552 -1.7519 -1.7519 -0.3389 -0.3389 1.0642 1.0642 1.8291 1.8291 2.3254 2.3254 3.7112 3.7112 3.9953 3.9953 4.2701 4.2701 4.8985 4.8985 5.1683 5.1683 6.1189 6.1189 6.2586 6.2586 6.2900 6.2900 7.1050 7.1050 7.7135 7.7135 k =-0.2254 0.9155 0.9428 ( 22776 PWs) bands (ev): -40.8129 -40.8129 -40.8013 -40.8013 -40.7971 -40.7971 -40.7857 -40.7857 -40.5754 -40.5754 -40.5754 -40.5754 -4.9589 -4.9589 -4.2738 -4.2738 -3.3229 -3.3229 -2.9076 -2.9076 -1.7076 -1.7076 -0.3525 -0.3525 1.0548 1.0548 1.8756 1.8756 2.3227 2.3227 3.7391 3.7391 4.0146 4.0146 4.2580 4.2580 4.8593 4.8593 5.1664 5.1664 6.1046 6.1046 6.2820 6.2820 6.3433 6.3433 7.0513 7.0513 7.6902 7.6902 k =-0.2189 0.8893 0.9159 ( 22784 PWs) bands (ev): -40.8129 -40.8129 -40.8018 -40.8018 -40.7965 -40.7965 -40.7857 -40.7857 -40.5754 -40.5754 -40.5754 -40.5754 -4.9753 -4.9753 -4.2905 -4.2905 -3.3788 -3.3788 -2.8567 -2.8567 -1.6623 -1.6623 -0.3630 -0.3630 1.0494 1.0494 1.9269 1.9269 2.3272 2.3272 3.7658 3.7658 4.0308 4.0308 4.2420 4.2420 4.8142 4.8142 5.1718 5.1718 6.0931 6.0931 6.3090 6.3090 6.3937 6.3937 7.0031 7.0031 7.6703 7.6703 k =-0.2125 0.8632 0.8889 ( 22794 PWs) bands (ev): -40.8129 -40.8129 -40.8024 -40.8024 -40.7960 -40.7960 -40.7857 -40.7857 -40.5754 -40.5754 -40.5754 -40.5754 -4.9945 -4.9945 -4.3120 -4.3120 -3.4333 -3.4333 -2.8033 -2.8033 -1.6169 -1.6169 -0.3700 -0.3700 1.0481 1.0481 1.9830 1.9830 2.3394 2.3394 3.7897 3.7897 4.0429 4.0429 4.2229 4.2229 4.7643 4.7643 5.1858 5.1858 6.0835 6.0835 6.3396 6.3396 6.4397 6.4397 6.9607 6.9607 7.6558 7.6558 k =-0.2061 0.8370 0.8620 ( 22786 PWs) bands (ev): -40.8129 -40.8129 -40.8029 -40.8029 -40.7955 -40.7955 -40.7857 -40.7857 -40.5754 -40.5754 -40.5754 -40.5754 -5.0163 -5.0163 -4.3376 -4.3376 -3.4862 -3.4862 -2.7484 -2.7484 -1.5719 -1.5719 -0.3731 -0.3731 1.0511 1.0511 2.0442 2.0442 2.3597 2.3597 3.8095 3.8095 4.0496 4.0496 4.2019 4.2019 4.7107 4.7107 5.2097 5.2097 6.0746 6.0746 6.3735 6.3735 6.4794 6.4794 6.9247 6.9247 7.6488 7.6488 k =-0.1996 0.8109 0.8351 ( 22780 PWs) bands (ev): -40.8129 -40.8129 -40.8034 -40.8034 -40.7949 -40.7949 -40.7857 -40.7857 -40.5754 -40.5754 -40.5754 -40.5754 -5.0406 -5.0406 -4.3665 -4.3665 -3.5374 -3.5374 -2.6930 -2.6930 -1.5280 -1.5280 -0.3718 -0.3718 1.0587 1.0587 2.1105 2.1105 2.3882 2.3882 3.8245 3.8245 4.0495 4.0495 4.1805 4.1805 4.6543 4.6543 5.2444 5.2444 6.0656 6.0656 6.4099 6.4099 6.5110 6.5110 6.8962 6.8962 7.6515 7.6515 k =-0.1932 0.7847 0.8081 ( 22798 PWs) bands (ev): -40.8129 -40.8129 -40.8040 -40.8040 -40.7944 -40.7944 -40.7857 -40.7857 -40.5754 -40.5754 -40.5754 -40.5754 -5.0671 -5.0671 -4.3981 -4.3981 -3.5868 -3.5868 -2.6381 -2.6381 -1.4857 -1.4857 -0.3655 -0.3655 1.0714 1.0714 2.1818 2.1818 2.4250 2.4250 3.8339 3.8339 4.0412 4.0412 4.1602 4.1602 4.5961 4.5961 5.2904 5.2904 6.0557 6.0557 6.4469 6.4469 6.5331 6.5331 6.8769 6.8769 7.6655 7.6655 k =-0.1867 0.7585 0.7812 ( 22794 PWs) bands (ev): -40.8129 -40.8129 -40.8045 -40.8045 -40.7939 -40.7939 -40.7857 -40.7857 -40.5754 -40.5754 -40.5754 -40.5754 -5.0956 -5.0956 -4.4318 -4.4318 -3.6345 -3.6345 -2.5847 -2.5847 -1.4456 -1.4456 -0.3537 -0.3537 1.0896 1.0896 2.2579 2.2579 2.4700 2.4700 3.8377 3.8377 4.0244 4.0244 4.1421 4.1421 4.5367 4.5367 5.3477 5.3477 6.0445 6.0445 6.4813 6.4813 6.5451 6.5451 6.8697 6.8697 7.6914 7.6914 k =-0.1803 0.7324 0.7543 ( 22789 PWs) bands (ev): -40.8129 -40.8129 -40.8050 -40.8050 -40.7934 -40.7934 -40.7857 -40.7857 -40.5754 -40.5754 -40.5754 -40.5754 -5.1256 -5.1256 -4.4672 -4.4672 -3.6803 -3.6803 -2.5335 -2.5335 -1.4082 -1.4082 -0.3358 -0.3358 1.1136 1.1136 2.3388 2.3388 2.5230 2.5230 3.8363 3.8363 4.0000 4.0000 4.1257 4.1257 4.4768 4.4768 5.4160 5.4160 6.0318 6.0318 6.5085 6.5085 6.5474 6.5474 6.8787 6.8787 7.7265 7.7265 k =-0.1739 0.7062 0.7273 ( 22777 PWs) bands (ev): -40.8129 -40.8129 -40.8055 -40.8055 -40.7929 -40.7929 -40.7857 -40.7857 -40.5754 -40.5754 -40.5754 -40.5754 -5.1570 -5.1570 -4.5037 -4.5037 -3.7244 -3.7244 -2.4855 -2.4855 -1.3739 -1.3739 -0.3112 -0.3112 1.1440 1.1440 2.4241 2.4241 2.5839 2.5839 3.8304 3.8304 3.9699 3.9699 4.1096 4.1096 4.4169 4.4169 5.4947 5.4947 6.0173 6.0173 6.5218 6.5218 6.5438 6.5438 6.9071 6.9071 7.7439 7.7439 k =-0.1674 0.6801 0.7004 ( 22753 PWs) bands (ev): -40.8129 -40.8129 -40.8060 -40.8060 -40.7925 -40.7925 -40.7857 -40.7857 -40.5754 -40.5754 -40.5754 -40.5754 -5.1894 -5.1894 -4.5409 -4.5409 -3.7667 -3.7667 -2.4412 -2.4412 -1.3430 -1.3430 -0.2794 -0.2794 1.1812 1.1812 2.5134 2.5134 2.6522 2.6522 3.8208 3.8208 3.9362 3.9362 4.0927 4.0927 4.3575 4.3575 5.5829 5.5829 6.0012 6.0012 6.5136 6.5136 6.5425 6.5425 6.9551 6.9551 7.7300 7.7300 k =-0.1610 0.6539 0.6734 ( 22763 PWs) bands (ev): -40.8130 -40.8130 -40.8065 -40.8065 -40.7920 -40.7920 -40.7857 -40.7857 -40.5754 -40.5754 -40.5754 -40.5754 -5.2226 -5.2226 -4.5786 -4.5786 -3.8074 -3.8074 -2.4012 -2.4012 -1.3158 -1.3158 -0.2403 -0.2403 1.2254 1.2254 2.6064 2.6064 2.7277 2.7277 3.8087 3.8087 3.9001 3.9001 4.0743 4.0743 4.2988 4.2988 5.6796 5.6796 5.9836 5.9836 6.4919 6.4919 6.5392 6.5392 7.0202 7.0202 7.7079 7.7079 k =-0.1545 0.6278 0.6465 ( 22781 PWs) bands (ev): -40.8130 -40.8130 -40.8070 -40.8070 -40.7916 -40.7916 -40.7857 -40.7857 -40.5754 -40.5754 -40.5754 -40.5754 -5.2563 -5.2563 -4.6164 -4.6164 -3.8464 -3.8464 -2.3659 -2.3659 -1.2923 -1.2923 -0.1934 -0.1934 1.2769 1.2769 2.7022 2.7022 2.8100 2.8100 3.7953 3.7953 3.8627 3.8627 4.0543 4.0543 4.2413 4.2413 5.7837 5.7837 5.9651 5.9651 6.4638 6.4638 6.5315 6.5315 7.0988 7.0988 7.6803 7.6803 k =-0.1481 0.6016 0.6196 ( 22765 PWs) bands (ev): -40.8130 -40.8130 -40.8074 -40.8074 -40.7911 -40.7911 -40.7857 -40.7857 -40.5754 -40.5754 -40.5754 -40.5754 -5.2902 -5.2902 -4.6539 -4.6539 -3.8838 -3.8838 -2.3355 -2.3355 -1.2728 -1.2728 -0.1389 -0.1389 1.3357 1.3357 2.8000 2.8000 2.8987 2.8987 3.7820 3.7820 3.8247 3.8247 4.0327 4.0327 4.1852 4.1852 5.8899 5.8899 5.9500 5.9500 6.4316 6.4316 6.5207 6.5207 7.1877 7.1877 7.6472 7.6472 k =-0.1417 0.5754 0.5926 ( 22757 PWs) bands (ev): -40.8130 -40.8130 -40.8079 -40.8079 -40.7907 -40.7907 -40.7858 -40.7858 -40.5754 -40.5754 -40.5754 -40.5754 -5.3241 -5.3241 -4.6911 -4.6911 -3.9197 -3.9197 -2.3099 -2.3099 -1.2569 -1.2569 -0.0769 -0.0769 1.4019 1.4019 2.8984 2.8984 2.9934 2.9934 3.7703 3.7703 3.7870 3.7870 4.0097 4.0097 4.1306 4.1306 5.9159 5.9159 6.0202 6.0202 6.3968 6.3968 6.5081 6.5081 7.2846 7.2846 7.6082 7.6082 k =-0.1352 0.5493 0.5657 ( 22771 PWs) bands (ev): -40.8130 -40.8130 -40.8083 -40.8083 -40.7903 -40.7903 -40.7858 -40.7858 -40.5755 -40.5755 -40.5754 -40.5754 -5.3578 -5.3578 -4.7276 -4.7276 -3.9540 -3.9540 -2.2890 -2.2890 -1.2447 -1.2447 -0.0076 -0.0076 1.4752 1.4752 2.9955 2.9955 3.0937 3.0937 3.7471 3.7471 3.7653 3.7653 3.9856 3.9856 4.0779 4.0779 5.8956 5.8956 6.1409 6.1409 6.3607 6.3607 6.4948 6.4948 7.3878 7.3878 7.5630 7.5630 k =-0.1288 0.5231 0.5388 ( 22795 PWs) bands (ev): -40.8130 -40.8130 -40.8087 -40.8087 -40.7899 -40.7899 -40.7858 -40.7858 -40.5755 -40.5755 -40.5755 -40.5755 -5.3910 -5.3910 -4.7633 -4.7633 -3.9867 -3.9867 -2.2727 -2.2727 -1.2359 -1.2359 0.0684 0.0684 1.5554 1.5554 3.0881 3.0881 3.1991 3.1991 3.7102 3.7102 3.7654 3.7654 3.9610 3.9610 4.0273 4.0273 5.8730 5.8730 6.2652 6.2652 6.3266 6.3266 6.4811 6.4811 7.4895 7.4895 7.5172 7.5172 k =-0.1223 0.4970 0.5118 ( 22805 PWs) bands (ev): -40.8130 -40.8130 -40.8091 -40.8091 -40.7895 -40.7895 -40.7858 -40.7858 -40.5755 -40.5755 -40.5755 -40.5755 -5.4235 -5.4235 -4.7980 -4.7980 -4.0180 -4.0180 -2.2604 -2.2604 -1.2301 -1.2301 0.1506 0.1506 1.6421 1.6421 3.1719 3.1719 3.3091 3.3091 3.6736 3.6736 3.7779 3.7779 3.9359 3.9359 3.9794 3.9794 5.8497 5.8497 6.2822 6.2822 6.4032 6.4032 6.4682 6.4682 7.4491 7.4491 7.6102 7.6102 k =-0.1159 0.4708 0.4849 ( 22801 PWs) bands (ev): -40.8130 -40.8130 -40.8095 -40.8095 -40.7892 -40.7892 -40.7858 -40.7858 -40.5755 -40.5755 -40.5755 -40.5755 -5.4552 -5.4552 -4.8316 -4.8316 -4.0477 -4.0477 -2.2518 -2.2518 -1.2271 -1.2271 0.2383 0.2383 1.7350 1.7350 3.2413 3.2413 3.4231 3.4231 3.6380 3.6380 3.8068 3.8068 3.9101 3.9101 3.9363 3.9363 5.8262 5.8262 6.2462 6.2462 6.4520 6.4520 6.5397 6.5397 7.3827 7.3827 7.7240 7.7240 k =-0.1095 0.4447 0.4579 ( 22807 PWs) bands (ev): -40.8131 -40.8131 -40.8099 -40.8099 -40.7888 -40.7888 -40.7858 -40.7858 -40.5755 -40.5755 -40.5755 -40.5755 -5.4860 -5.4860 -4.8640 -4.8640 -4.0760 -4.0760 -2.2464 -2.2464 -1.2265 -1.2265 0.3307 0.3307 1.8334 1.8334 3.2921 3.2921 3.5392 3.5392 3.6041 3.6041 3.8485 3.8485 3.8783 3.8783 3.9129 3.9129 5.8028 5.8028 6.2100 6.2100 6.4391 6.4391 6.6759 6.6759 7.3094 7.3094 7.8385 7.8385 k =-0.1030 0.4185 0.4310 ( 22797 PWs) bands (ev): -40.8131 -40.8131 -40.8103 -40.8103 -40.7885 -40.7885 -40.7858 -40.7858 -40.5755 -40.5755 -40.5755 -40.5755 -5.5156 -5.5156 -4.8949 -4.8949 -4.1027 -4.1027 -2.2437 -2.2437 -1.2278 -1.2278 0.4269 0.4269 1.9369 1.9369 3.3236 3.3236 3.5692 3.5692 3.6567 3.6567 3.8393 3.8393 3.8611 3.8611 3.9558 3.9558 5.7798 5.7798 6.1747 6.1747 6.4259 6.4259 6.8119 6.8119 7.2315 7.2315 7.9511 7.9511 k =-0.0966 0.3924 0.4041 ( 22807 PWs) bands (ev): -40.8131 -40.8131 -40.8106 -40.8106 -40.7882 -40.7882 -40.7858 -40.7858 -40.5755 -40.5755 -40.5755 -40.5755 -5.5439 -5.5439 -4.9244 -4.9244 -4.1279 -4.1279 -2.2433 -2.2433 -1.2309 -1.2309 0.5261 0.5261 2.0448 2.0448 3.3394 3.3394 3.5379 3.5379 3.7503 3.7503 3.8023 3.8023 3.8715 3.8715 4.0466 4.0466 5.7572 5.7572 6.1406 6.1406 6.4129 6.4129 6.9362 6.9362 7.1593 7.1593 8.0581 8.0581 k =-0.0902 0.3662 0.3771 ( 22823 PWs) bands (ev): -40.8131 -40.8131 -40.8109 -40.8109 -40.7879 -40.7879 -40.7858 -40.7858 -40.5755 -40.5755 -40.5755 -40.5755 -5.5709 -5.5709 -4.9524 -4.9524 -4.1516 -4.1516 -2.2448 -2.2448 -1.2352 -1.2352 0.6275 0.6275 2.1564 2.1564 3.3445 3.3445 3.5079 3.5079 3.7568 3.7568 3.7818 3.7818 3.9548 3.9548 4.1556 4.1556 5.7354 5.7354 6.1080 6.1080 6.4000 6.4000 6.9789 6.9789 7.1620 7.1620 8.1531 8.1531 k =-0.0837 0.3400 0.3502 ( 22827 PWs) bands (ev): -40.8131 -40.8131 -40.8112 -40.8112 -40.7876 -40.7876 -40.7858 -40.7858 -40.5755 -40.5755 -40.5755 -40.5755 -5.5964 -5.5964 -4.9787 -4.9787 -4.1737 -4.1737 -2.2477 -2.2477 -1.2406 -1.2406 0.7299 0.7299 2.2709 2.2709 3.3430 3.3430 3.4795 3.4795 3.7244 3.7244 3.7662 3.7662 4.0771 4.0771 4.2754 4.2754 5.7146 5.7146 6.0772 6.0772 6.3873 6.3873 6.9066 6.9066 7.2718 7.2718 8.1956 8.1956 k =-0.0773 0.3139 0.3233 ( 22847 PWs) bands (ev): -40.8131 -40.8131 -40.8115 -40.8115 -40.7874 -40.7874 -40.7858 -40.7858 -40.5755 -40.5755 -40.5755 -40.5755 -5.6203 -5.6203 -5.0033 -5.0033 -4.1943 -4.1943 -2.2516 -2.2516 -1.2466 -1.2466 0.8324 0.8324 2.3876 2.3876 3.3379 3.3379 3.4529 3.4529 3.6922 3.6922 3.7469 3.7469 4.2082 4.2082 4.4022 4.4022 5.6948 5.6948 6.0482 6.0482 6.3745 6.3745 6.8082 6.8082 7.3974 7.3974 8.1254 8.1254 k =-0.0708 0.2877 0.2963 ( 22839 PWs) bands (ev): -40.8131 -40.8131 -40.8118 -40.8118 -40.7872 -40.7872 -40.7858 -40.7858 -40.5755 -40.5755 -40.5755 -40.5755 -5.6426 -5.6426 -5.0262 -5.0262 -4.2133 -4.2133 -2.2563 -2.2563 -1.2531 -1.2531 0.9340 0.9340 2.5054 2.5054 3.3310 3.3310 3.4282 3.4282 3.6620 3.6620 3.7270 3.7270 4.3426 4.3426 4.5336 4.5336 5.6762 5.6762 6.0212 6.0212 6.3615 6.3615 6.7031 6.7031 7.5143 7.5143 7.9562 7.9562 k =-0.0644 0.2616 0.2694 ( 22837 PWs) bands (ev): -40.8132 -40.8132 -40.8120 -40.8120 -40.7870 -40.7870 -40.7858 -40.7858 -40.5755 -40.5755 -40.5755 -40.5755 -5.6632 -5.6632 -5.0472 -5.0472 -4.2307 -4.2307 -2.2614 -2.2614 -1.2598 -1.2598 1.0333 1.0333 2.6234 2.6234 3.3235 3.3235 3.4056 3.4056 3.6342 3.6342 3.7075 3.7075 4.4786 4.4786 4.6675 4.6675 5.6590 5.6590 5.9962 5.9962 6.3481 6.3481 6.5959 6.5959 7.6089 7.6089 7.7795 7.7795 k =-0.0580 0.2354 0.2424 ( 22859 PWs) bands (ev): -40.8132 -40.8132 -40.8122 -40.8122 -40.7868 -40.7868 -40.7858 -40.7858 -40.5755 -40.5755 -40.5755 -40.5755 -5.6819 -5.6819 -5.0663 -5.0663 -4.2465 -4.2465 -2.2667 -2.2667 -1.2664 -1.2664 1.1293 1.1293 2.7403 2.7403 3.3162 3.3162 3.3849 3.3849 3.6089 3.6089 3.6887 3.6887 4.6150 4.6150 4.8023 4.8023 5.6433 5.6433 5.9734 5.9734 6.3337 6.3337 6.4892 6.4892 7.5969 7.5969 7.6764 7.6764 k =-0.0515 0.2093 0.2155 ( 22861 PWs) bands (ev): -40.8132 -40.8132 -40.8124 -40.8124 -40.7866 -40.7866 -40.7858 -40.7858 -40.5755 -40.5755 -40.5755 -40.5755 -5.6989 -5.6989 -5.0836 -5.0836 -4.2607 -4.2607 -2.2720 -2.2720 -1.2728 -1.2728 1.2207 1.2207 2.8548 2.8548 3.3097 3.3097 3.3665 3.3665 3.5862 3.5862 3.6709 3.6709 4.7508 4.7508 4.9365 4.9365 5.6293 5.6293 5.9527 5.9527 6.3179 6.3179 6.3854 6.3854 7.4288 7.4288 7.6954 7.6954 k =-0.0451 0.1831 0.1886 ( 22857 PWs) bands (ev): -40.8132 -40.8132 -40.8125 -40.8125 -40.7865 -40.7865 -40.7858 -40.7858 -40.5755 -40.5755 -40.5755 -40.5755 -5.7139 -5.7139 -5.0989 -5.0989 -4.2733 -4.2733 -2.2771 -2.2771 -1.2788 -1.2788 1.3059 1.3059 2.9653 2.9653 3.3043 3.3043 3.3503 3.3503 3.5660 3.5660 3.6538 3.6538 4.8845 4.8845 5.0682 5.0682 5.6172 5.6172 5.9342 5.9342 6.2858 6.2858 6.3006 6.3006 7.2671 7.2671 7.6831 7.6831 k =-0.0386 0.1569 0.1616 ( 22869 PWs) bands (ev): -40.8132 -40.8132 -40.8127 -40.8127 -40.7863 -40.7863 -40.7858 -40.7858 -40.5755 -40.5755 -40.5755 -40.5755 -5.7270 -5.7270 -5.1122 -5.1122 -4.2842 -4.2842 -2.2818 -2.2818 -1.2843 -1.2843 1.3837 1.3837 3.0697 3.0697 3.3003 3.3003 3.3364 3.3364 3.5485 3.5485 3.6373 3.6373 5.0147 5.0147 5.1954 5.1954 5.6073 5.6073 5.9177 5.9177 6.1947 6.1947 6.2786 6.2786 7.1174 7.1174 7.6473 7.6473 k =-0.0322 0.1308 0.1347 ( 22869 PWs) bands (ev): -40.8132 -40.8132 -40.8128 -40.8128 -40.7862 -40.7862 -40.7858 -40.7858 -40.5755 -40.5755 -40.5755 -40.5755 -5.7382 -5.7382 -5.1235 -5.1235 -4.2935 -4.2935 -2.2860 -2.2860 -1.2891 -1.2891 1.4527 1.4527 3.1657 3.1657 3.2983 3.2983 3.3251 3.3251 3.5336 3.5336 3.6210 3.6210 5.1392 5.1392 5.3155 5.3155 5.6004 5.6004 5.9028 5.9028 6.1126 6.1126 6.2519 6.2519 6.9833 6.9833 7.5971 7.5971 k =-0.0258 0.1046 0.1078 ( 22859 PWs) bands (ev): -40.8133 -40.8133 -40.8129 -40.8129 -40.7862 -40.7862 -40.7858 -40.7858 -40.5755 -40.5755 -40.5755 -40.5755 -5.7473 -5.7473 -5.1328 -5.1328 -4.3011 -4.3011 -2.2895 -2.2895 -1.2932 -1.2932 1.5113 1.5113 3.2459 3.2459 3.3032 3.3032 3.3168 3.3168 3.5213 3.5213 3.6042 3.6042 5.2547 5.2547 5.4251 5.4251 5.5976 5.5976 5.8884 5.8884 6.0429 6.0429 6.2186 6.2186 6.8691 6.8691 7.5404 7.5404 k =-0.0193 0.0785 0.0808 ( 22841 PWs) bands (ev): -40.8133 -40.8133 -40.8129 -40.8129 -40.7861 -40.7861 -40.7858 -40.7858 -40.5755 -40.5755 -40.5755 -40.5755 -5.7545 -5.7545 -5.1400 -5.1400 -4.3070 -4.3070 -2.2924 -2.2924 -1.2965 -1.2965 1.5585 1.5585 3.2776 3.2776 3.3096 3.3096 3.3477 3.3477 3.5118 3.5118 3.5858 3.5858 5.3554 5.3554 5.5197 5.5197 5.6026 5.6026 5.8722 5.8722 5.9890 5.9890 6.1780 6.1780 6.7785 6.7785 7.4846 7.4846 k =-0.0129 0.0523 0.0539 ( 22827 PWs) bands (ev): -40.8133 -40.8133 -40.8130 -40.8130 -40.7861 -40.7861 -40.7857 -40.7857 -40.5755 -40.5755 -40.5755 -40.5755 -5.7596 -5.7596 -5.1452 -5.1452 -4.3112 -4.3112 -2.2945 -2.2945 -1.2989 -1.2989 1.5930 1.5930 3.2802 3.2802 3.3061 3.3061 3.4088 3.4088 3.5050 3.5050 3.5645 3.5645 5.4313 5.4313 5.5877 5.5877 5.6274 5.6274 5.8508 5.8508 5.9545 5.9545 6.1333 6.1333 6.7142 6.7142 7.4372 7.4372 k =-0.0064 0.0262 0.0269 ( 22825 PWs) bands (ev): -40.8133 -40.8133 -40.8130 -40.8130 -40.7861 -40.7861 -40.7857 -40.7857 -40.5755 -40.5755 -40.5755 -40.5755 -5.7627 -5.7627 -5.1483 -5.1483 -4.3138 -4.3138 -2.2958 -2.2958 -1.3003 -1.3003 1.6140 1.6140 3.2798 3.2798 3.3042 3.3042 3.4616 3.4616 3.5008 3.5008 3.5384 3.5384 5.4730 5.4730 5.6215 5.6215 5.6738 5.6738 5.8264 5.8264 5.9381 5.9381 6.0945 6.0945 6.6765 6.6765 7.4053 7.4053 k = 0.0000 0.0000 0.0000 ( 22879 PWs) bands (ev): -40.8134 -40.8134 -40.8130 -40.8130 -40.7861 -40.7861 -40.7857 -40.7857 -40.5755 -40.5755 -40.5755 -40.5755 -5.7637 -5.7637 -5.1493 -5.1493 -4.3146 -4.3146 -2.2962 -2.2962 -1.3008 -1.3008 1.6211 1.6211 3.2795 3.2795 3.3037 3.3037 3.4990 3.4990 3.4999 3.4999 3.5097 3.5097 5.4849 5.4849 5.6346 5.6346 5.6970 5.6970 5.8132 5.8132 5.9337 5.9337 6.0783 6.0783 6.6641 6.6641 7.3940 7.3940 k = 0.0000 0.0000 0.0000 ( 22879 PWs) bands (ev): -40.8134 -40.8134 -40.8130 -40.8130 -40.7861 -40.7861 -40.7857 -40.7857 -40.5755 -40.5755 -40.5755 -40.5755 -5.7637 -5.7637 -5.1493 -5.1493 -4.3146 -4.3146 -2.2962 -2.2962 -1.3008 -1.3008 1.6211 1.6211 3.2795 3.2795 3.3037 3.3037 3.4990 3.4990 3.4999 3.4999 3.5097 3.5097 5.4849 5.4849 5.6346 5.6346 5.6970 5.6970 5.8132 5.8132 5.9337 5.9337 6.0783 6.0783 6.6641 6.6641 7.3940 7.3940 k = 0.0357 0.0088 0.0000 ( 22831 PWs) bands (ev): -40.8133 -40.8133 -40.8130 -40.8130 -40.7860 -40.7860 -40.7857 -40.7857 -40.5755 -40.5755 -40.5755 -40.5755 -5.7626 -5.7626 -5.1538 -5.1538 -4.3078 -4.3078 -2.3118 -2.3118 -1.2834 -1.2834 1.6084 1.6084 3.2762 3.2762 3.2986 3.2986 3.5017 3.5017 3.5063 3.5063 3.5245 3.5245 5.4634 5.4634 5.5861 5.5861 5.6834 5.6834 5.8643 5.8643 5.9606 5.9606 6.0852 6.0852 6.6627 6.6627 7.3959 7.3959 k = 0.0714 0.0176 0.0000 ( 22819 PWs) bands (ev): -40.8133 -40.8133 -40.8130 -40.8130 -40.7860 -40.7860 -40.7857 -40.7857 -40.5755 -40.5755 -40.5755 -40.5755 -5.7592 -5.7592 -5.1667 -5.1667 -4.2879 -4.2879 -2.3557 -2.3557 -1.2342 -1.2342 1.5711 1.5711 3.2669 3.2669 3.2852 3.2852 3.5167 3.5167 3.5259 3.5259 3.5584 3.5584 5.4087 5.4087 5.4980 5.4980 5.6487 5.6487 5.9601 5.9601 6.0276 6.0276 6.1037 6.1037 6.6585 6.6585 7.4018 7.4018 k = 0.1071 0.0264 0.0000 ( 22827 PWs) bands (ev): -40.8133 -40.8133 -40.8130 -40.8130 -40.7860 -40.7860 -40.7857 -40.7857 -40.5755 -40.5755 -40.5755 -40.5755 -5.7535 -5.7535 -5.1870 -5.1870 -4.2561 -4.2561 -2.4211 -2.4211 -1.1598 -1.1598 1.5119 1.5119 3.2530 3.2530 3.2673 3.2673 3.5439 3.5439 3.5542 3.5542 3.6082 3.6082 5.3365 5.3365 5.4043 5.4043 5.6002 5.6002 6.0667 6.0667 6.1152 6.1152 6.1306 6.1306 6.6518 6.6518 7.4115 7.4115 k = 0.1429 0.0352 0.0000 ( 22823 PWs) bands (ev): -40.8133 -40.8133 -40.8130 -40.8130 -40.7860 -40.7860 -40.7857 -40.7857 -40.5755 -40.5755 -40.5755 -40.5755 -5.7456 -5.7456 -5.2130 -5.2130 -4.2138 -4.2138 -2.5011 -2.5011 -1.0673 -1.0673 1.4341 1.4341 3.2365 3.2365 3.2476 3.2476 3.5783 3.5783 3.5880 3.5880 3.6732 3.6732 5.2571 5.2571 5.3113 5.3113 5.5415 5.5415 6.1598 6.1598 6.1776 6.1776 6.2157 6.2157 6.6426 6.6426 7.4247 7.4247 k = 0.1786 0.0440 0.0000 ( 22823 PWs) bands (ev): -40.8133 -40.8133 -40.8130 -40.8130 -40.7860 -40.7860 -40.7858 -40.7858 -40.5755 -40.5755 -40.5755 -40.5755 -5.7355 -5.7355 -5.2433 -5.2433 -4.1627 -4.1627 -2.5904 -2.5904 -0.9620 -0.9620 1.3413 1.3413 3.2192 3.2192 3.2279 3.2279 3.6166 3.6166 3.6255 3.6255 3.7513 3.7513 5.1759 5.1759 5.2209 5.2209 5.4751 5.4751 6.1916 6.1916 6.2908 6.2908 6.3213 6.3213 6.6315 6.6315 7.4413 7.4413 k = 0.2143 0.0528 0.0000 ( 22819 PWs) bands (ev): -40.8133 -40.8133 -40.8130 -40.8130 -40.7860 -40.7860 -40.7858 -40.7858 -40.5755 -40.5755 -40.5755 -40.5755 -5.7232 -5.7232 -5.2764 -5.2764 -4.1041 -4.1041 -2.6853 -2.6853 -0.8477 -0.8477 1.2365 1.2365 3.2022 3.2022 3.2092 3.2092 3.6570 3.6570 3.6653 3.6653 3.8394 3.8394 5.0957 5.0957 5.1342 5.1342 5.4024 5.4024 6.2236 6.2236 6.4044 6.4044 6.4309 6.4309 6.6195 6.6195 7.4610 7.4610 k = 0.2500 0.0615 0.0000 ( 22807 PWs) bands (ev): -40.8133 -40.8133 -40.8130 -40.8130 -40.7860 -40.7860 -40.7858 -40.7858 -40.5755 -40.5755 -40.5755 -40.5755 -5.7086 -5.7086 -5.3112 -5.3112 -4.0392 -4.0392 -2.7833 -2.7833 -0.7269 -0.7269 1.1226 1.1226 3.1864 3.1864 3.1920 3.1920 3.6985 3.6985 3.7062 3.7062 3.9347 3.9347 5.0183 5.0183 5.0519 5.0519 5.3243 5.3243 6.2549 6.2549 6.5126 6.5126 6.5427 6.5427 6.6115 6.6115 7.4835 7.4835 k = 0.2857 0.0703 0.0000 ( 22807 PWs) bands (ev): -40.8133 -40.8133 -40.8130 -40.8130 -40.7860 -40.7860 -40.7858 -40.7858 -40.5755 -40.5755 -40.5755 -40.5755 -5.6919 -5.6919 -5.3469 -5.3469 -3.9690 -3.9690 -2.8829 -2.8829 -0.6012 -0.6012 1.0017 1.0017 3.1722 3.1722 3.1767 3.1767 3.7401 3.7401 3.7473 3.7473 4.0349 4.0349 4.9453 4.9453 4.9752 4.9752 5.2417 5.2417 6.2853 6.2853 6.5648 6.5648 6.6550 6.6550 6.6576 6.6576 7.5085 7.5085 k = 0.3214 0.0791 0.0000 ( 22823 PWs) bands (ev): -40.8133 -40.8133 -40.8131 -40.8131 -40.7860 -40.7860 -40.7858 -40.7858 -40.5755 -40.5755 -40.5755 -40.5755 -5.6730 -5.6730 -5.3826 -5.3826 -3.8942 -3.8942 -2.9829 -2.9829 -0.4718 -0.4718 0.8754 0.8754 3.1599 3.1599 3.1635 3.1635 3.7805 3.7805 3.7871 3.7871 4.1382 4.1382 4.8780 4.8780 4.9050 4.9050 5.1552 5.1552 6.3147 6.3147 6.5549 6.5549 6.7625 6.7625 6.7662 6.7662 7.5358 7.5358 k = 0.3571 0.0879 0.0000 ( 22823 PWs) bands (ev): -40.8132 -40.8132 -40.8131 -40.8131 -40.7860 -40.7860 -40.7858 -40.7858 -40.5755 -40.5755 -40.5755 -40.5755 -5.6520 -5.6520 -5.4180 -5.4180 -3.8153 -3.8153 -3.0824 -3.0824 -0.3397 -0.3397 0.7452 0.7452 3.1497 3.1497 3.1525 3.1525 3.8183 3.8183 3.8243 3.8243 4.2430 4.2430 4.8180 4.8180 4.8428 4.8428 5.0654 5.0654 6.3430 6.3430 6.5367 6.5367 6.8703 6.8703 6.8736 6.8736 7.5651 7.5651 k = 0.3929 0.0967 0.0000 ( 22823 PWs) bands (ev): -40.8132 -40.8132 -40.8131 -40.8131 -40.7859 -40.7859 -40.7858 -40.7858 -40.5755 -40.5755 -40.5755 -40.5755 -5.6290 -5.6290 -5.4525 -5.4525 -3.7328 -3.7328 -3.1811 -3.1811 -0.2056 -0.2056 0.6121 0.6121 3.1418 3.1418 3.1438 3.1438 3.8518 3.8518 3.8567 3.8567 4.3481 4.3481 4.7670 4.7670 4.7908 4.7908 4.9730 4.9730 6.3704 6.3704 6.5161 6.5161 6.9712 6.9712 6.9734 6.9734 7.5962 7.5962 k = 0.4286 0.1055 0.0000 ( 22831 PWs) bands (ev): -40.8132 -40.8132 -40.8131 -40.8131 -40.7859 -40.7859 -40.7859 -40.7859 -40.5755 -40.5755 -40.5755 -40.5755 -5.6040 -5.6040 -5.4859 -5.4859 -3.6472 -3.6472 -3.2784 -3.2784 -0.0699 -0.0699 0.4770 0.4770 3.1361 3.1361 3.1374 3.1374 3.8786 3.8786 3.8822 3.8822 4.4521 4.4521 4.7263 4.7263 4.7516 4.7516 4.8795 4.8795 6.3969 6.3969 6.4941 6.4941 7.0576 7.0576 7.0587 7.0587 7.6286 7.6286 k = 0.4643 0.1143 0.0000 ( 22823 PWs) bands (ev): -40.8132 -40.8132 -40.8131 -40.8131 -40.7859 -40.7859 -40.7859 -40.7859 -40.5755 -40.5755 -40.5755 -40.5755 -5.5771 -5.5771 -5.5179 -5.5179 -3.5586 -3.5586 -3.3739 -3.3739 0.0667 0.0667 0.3407 0.3407 3.1328 3.1328 3.1335 3.1335 3.8964 3.8964 3.8983 3.8983 4.5528 4.5528 4.6930 4.6930 4.7292 4.7292 4.7903 4.7903 6.4224 6.4224 6.4711 6.4711 7.1185 7.1185 7.1189 7.1189 7.6621 7.6621 k = 0.5000 0.1231 0.0000 ( 22784 PWs) bands (ev): -40.8132 -40.8132 -40.8132 -40.8132 -40.7859 -40.7859 -40.7859 -40.7859 -40.5755 -40.5755 -40.5755 -40.5755 -5.5483 -5.5483 -5.5483 -5.5483 -3.4674 -3.4674 -3.4674 -3.4674 0.2037 0.2037 0.2037 0.2037 3.1320 3.1320 3.1320 3.1320 3.9033 3.9033 3.9033 3.9033 4.6417 4.6417 4.6417 4.6417 4.7334 4.7334 4.7334 4.7334 6.4472 6.4472 6.4472 6.4472 7.1411 7.1411 7.1411 7.1411 7.6968 7.6968 k = 0.5000 0.1231 0.0000 ( 22784 PWs) bands (ev): -40.8132 -40.8132 -40.8132 -40.8132 -40.7859 -40.7859 -40.7859 -40.7859 -40.5755 -40.5755 -40.5755 -40.5755 -5.5483 -5.5483 -5.5483 -5.5483 -3.4674 -3.4674 -3.4674 -3.4674 0.2037 0.2037 0.2037 0.2037 3.1320 3.1320 3.1320 3.1320 3.9033 3.9033 3.9033 3.9033 4.6417 4.6417 4.6417 4.6417 4.7334 4.7334 4.7334 4.7334 6.4472 6.4472 6.4472 6.4472 7.1411 7.1411 7.1411 7.1411 7.6968 7.6968 k = 0.4936 0.1490 0.0267 ( 22802 PWs) bands (ev): -40.8132 -40.8132 -40.8131 -40.8131 -40.7859 -40.7859 -40.7859 -40.7859 -40.5755 -40.5755 -40.5755 -40.5755 -5.5475 -5.5475 -5.5471 -5.5471 -3.4669 -3.4669 -3.4664 -3.4664 0.2008 0.2008 0.2046 0.2046 3.1230 3.1230 3.1344 3.1344 3.8838 3.8838 3.9045 3.9045 4.5890 4.5890 4.6677 4.6677 4.7154 4.7154 4.7873 4.7873 6.4488 6.4488 6.4570 6.4570 7.1271 7.1271 7.1422 7.1422 7.6848 7.6848 k = 0.4872 0.1749 0.0534 ( 22814 PWs) bands (ev): -40.8132 -40.8132 -40.8131 -40.8131 -40.7859 -40.7859 -40.7859 -40.7859 -40.5755 -40.5755 -40.5755 -40.5755 -5.5451 -5.5451 -5.5436 -5.5436 -3.4651 -3.4651 -3.4636 -3.4636 0.1927 0.1927 0.2068 0.2068 3.1005 3.1005 3.1381 3.1381 3.8289 3.8289 3.9080 3.9080 4.5141 4.5141 4.6954 4.6954 4.7163 4.7163 4.8580 4.8580 6.4601 6.4601 6.4770 6.4770 7.0924 7.0924 7.1438 7.1438 7.6537 7.6537 k = 0.4809 0.2008 0.0801 ( 22814 PWs) bands (ev): -40.8132 -40.8132 -40.8131 -40.8131 -40.7860 -40.7860 -40.7859 -40.7859 -40.5755 -40.5755 -40.5755 -40.5755 -5.5410 -5.5410 -5.5376 -5.5376 -3.4622 -3.4622 -3.4589 -3.4589 0.1790 0.1790 0.2105 0.2105 3.0651 3.0651 3.1442 3.1442 3.7466 3.7466 3.9140 3.9140 4.4296 4.4296 4.7169 4.7169 4.7361 4.7361 4.9330 4.9330 6.4780 6.4780 6.5012 6.5012 7.0519 7.0519 7.1464 7.1464 7.5863 7.5863 k = 0.4745 0.2267 0.1068 ( 22796 PWs) bands (ev): -40.8132 -40.8132 -40.8130 -40.8130 -40.7860 -40.7860 -40.7859 -40.7859 -40.5755 -40.5755 -40.5755 -40.5755 -5.5354 -5.5354 -5.5292 -5.5292 -3.4581 -3.4581 -3.4524 -3.4524 0.1597 0.1597 0.2155 0.2155 3.0194 3.0194 3.1527 3.1527 3.6449 3.6449 3.9222 3.9222 4.3379 4.3379 4.7264 4.7264 4.7741 4.7741 5.0089 5.0089 6.4873 6.4873 6.5276 6.5276 7.0283 7.0283 7.1502 7.1502 7.4857 7.4857 k = 0.4681 0.2527 0.1334 ( 22772 PWs) bands (ev): -40.8131 -40.8131 -40.8129 -40.8129 -40.7861 -40.7861 -40.7859 -40.7859 -40.5755 -40.5755 -40.5755 -40.5755 -5.5281 -5.5281 -5.5185 -5.5185 -3.4530 -3.4530 -3.4440 -3.4440 0.1347 0.1347 0.2219 0.2219 2.9662 2.9662 3.1635 3.1635 3.5300 3.5300 3.9328 3.9328 4.2399 4.2399 4.7373 4.7373 4.8130 4.8130 5.0837 5.0837 6.4582 6.4582 6.5667 6.5667 7.0427 7.0427 7.1555 7.1555 7.3643 7.3643 k = 0.4617 0.2786 0.1601 ( 22780 PWs) bands (ev): -40.8131 -40.8131 -40.8127 -40.8127 -40.7863 -40.7863 -40.7859 -40.7859 -40.5755 -40.5755 -40.5755 -40.5755 -5.5193 -5.5193 -5.5054 -5.5054 -3.4467 -3.4467 -3.4338 -3.4338 0.1037 0.1037 0.2295 0.2295 2.9083 2.9083 3.1767 3.1767 3.4065 3.4065 3.9457 3.9457 4.1360 4.1360 4.7505 4.7505 4.8500 4.8500 5.1552 5.1552 6.3873 6.3873 6.6184 6.6184 7.0958 7.0958 7.1638 7.1638 7.2338 7.2338 k = 0.4553 0.3045 0.1868 ( 22774 PWs) bands (ev): -40.8131 -40.8131 -40.8126 -40.8126 -40.7864 -40.7864 -40.7859 -40.7859 -40.5755 -40.5755 -40.5755 -40.5755 -5.5089 -5.5089 -5.4900 -5.4900 -3.4394 -3.4394 -3.4218 -3.4218 0.0666 0.0666 0.2383 0.2383 2.8482 2.8482 3.1921 3.1921 3.2776 3.2776 3.9608 3.9608 4.0273 4.0273 4.7660 4.7660 4.8844 4.8844 5.2215 5.2215 6.2869 6.2869 6.6799 6.6799 7.0874 7.0874 7.1519 7.1519 7.2123 7.2123 k = 0.4490 0.3304 0.2135 ( 22792 PWs) bands (ev): -40.8131 -40.8131 -40.8124 -40.8124 -40.7865 -40.7865 -40.7859 -40.7859 -40.5755 -40.5755 -40.5755 -40.5755 -5.4971 -5.4971 -5.4722 -5.4722 -3.4312 -3.4312 -3.4081 -3.4081 0.0234 0.0234 0.2481 0.2481 2.7881 2.7881 3.1449 3.1449 3.2105 3.2105 3.9139 3.9139 3.9787 3.9787 4.7837 4.7837 4.9163 4.9163 5.2806 5.2806 6.1691 6.1691 6.7437 6.7437 6.9605 6.9605 7.1643 7.1643 7.3085 7.3085 k = 0.4426 0.3563 0.2402 ( 22794 PWs) bands (ev): -40.8131 -40.8131 -40.8122 -40.8122 -40.7867 -40.7867 -40.7859 -40.7859 -40.5755 -40.5755 -40.5755 -40.5755 -5.4837 -5.4837 -5.4521 -5.4521 -3.4220 -3.4220 -3.3925 -3.3925 -0.0261 -0.0261 0.2587 0.2587 2.7297 2.7297 3.0116 3.0116 3.2304 3.2304 3.7982 3.7982 3.9983 3.9983 4.8037 4.8037 4.9458 4.9458 5.3309 5.3309 6.0413 6.0413 6.7477 6.7477 6.9022 6.9022 7.1723 7.1723 7.4154 7.4154 k = 0.4362 0.3822 0.2669 ( 22798 PWs) bands (ev): -40.8131 -40.8131 -40.8120 -40.8120 -40.7869 -40.7869 -40.7858 -40.7858 -40.5755 -40.5755 -40.5755 -40.5755 -5.4690 -5.4690 -5.4298 -5.4298 -3.4119 -3.4119 -3.3753 -3.3753 -0.0817 -0.0817 0.2699 0.2699 2.6743 2.6743 2.8783 2.8783 3.2527 3.2527 3.6806 3.6806 4.0202 4.0202 4.8258 4.8258 4.9735 4.9735 5.3708 5.3708 5.9080 5.9080 6.6381 6.6381 6.9701 6.9701 7.1799 7.1799 7.5163 7.5163 k = 0.4298 0.4081 0.2936 ( 22808 PWs) bands (ev): -40.8131 -40.8131 -40.8118 -40.8118 -40.7871 -40.7871 -40.7858 -40.7858 -40.5755 -40.5755 -40.5755 -40.5755 -5.4529 -5.4529 -5.4051 -5.4051 -3.4011 -3.4011 -3.3563 -3.3563 -0.1435 -0.1435 0.2816 0.2816 2.6226 2.6226 2.7463 2.7463 3.2770 3.2770 3.5621 3.5621 4.0443 4.0443 4.8500 4.8500 4.9997 4.9997 5.3985 5.3985 5.7720 5.7720 6.5120 6.5120 7.0674 7.0674 7.1886 7.1886 7.6025 7.6025 k = 0.4234 0.4341 0.3203 ( 22792 PWs) bands (ev): -40.8131 -40.8131 -40.8115 -40.8115 -40.7873 -40.7873 -40.7858 -40.7858 -40.5755 -40.5755 -40.5755 -40.5755 -5.4354 -5.4354 -5.3782 -5.3782 -3.3896 -3.3896 -3.3358 -3.3358 -0.2111 -0.2111 0.2933 0.2933 2.5752 2.5752 2.6167 2.6167 3.3025 3.3025 3.4447 3.4447 4.0705 4.0705 4.8761 4.8761 5.0247 5.0247 5.4115 5.4115 5.6356 5.6356 6.3916 6.3916 7.1591 7.1591 7.2129 7.2129 7.6712 7.6712 k = 0.4171 0.4600 0.3469 ( 22794 PWs) bands (ev): -40.8131 -40.8131 -40.8113 -40.8113 -40.7876 -40.7876 -40.7858 -40.7858 -40.5755 -40.5755 -40.5755 -40.5755 -5.4168 -5.4168 -5.3491 -5.3491 -3.3774 -3.3774 -3.3137 -3.3137 -0.2843 -0.2843 0.3047 0.3047 2.4901 2.4901 2.5325 2.5325 3.3095 3.3095 3.3491 3.3491 4.0988 4.0988 4.9040 4.9040 5.0487 5.0487 5.4052 5.4052 5.5022 5.5022 6.2835 6.2835 7.1854 7.1854 7.3079 7.3079 7.7243 7.7243 k = 0.4107 0.4859 0.3736 ( 22796 PWs) bands (ev): -40.8131 -40.8131 -40.8110 -40.8110 -40.7879 -40.7879 -40.7858 -40.7858 -40.5755 -40.5755 -40.5755 -40.5755 -5.3969 -5.3969 -5.3179 -5.3179 -3.3648 -3.3648 -3.2900 -3.2900 -0.3626 -0.3626 0.3155 0.3155 2.3681 2.3681 2.4937 2.4937 3.2066 3.2066 3.3676 3.3676 4.1290 4.1290 4.9332 4.9332 5.0716 5.0716 5.3474 5.3474 5.4025 5.4025 6.1924 6.1924 7.1910 7.1910 7.4258 7.4258 7.7661 7.7661 k = 0.4043 0.5118 0.4003 ( 22808 PWs) bands (ev): -40.8131 -40.8131 -40.8107 -40.8107 -40.7882 -40.7882 -40.7858 -40.7858 -40.5755 -40.5755 -40.5755 -40.5755 -5.3760 -5.3760 -5.2845 -5.2845 -3.3518 -3.3518 -3.2649 -3.2649 -0.4455 -0.4455 0.3251 0.3251 2.2512 2.2512 2.4582 2.4582 3.0958 3.0958 3.3996 3.3996 4.1612 4.1612 4.9621 4.9621 5.0933 5.0933 5.2251 5.2251 5.3502 5.3502 6.1218 6.1218 7.1928 7.1928 7.5475 7.5475 7.8000 7.8000 k = 0.3979 0.5377 0.4270 ( 22794 PWs) bands (ev): -40.8131 -40.8131 -40.8103 -40.8103 -40.7885 -40.7885 -40.7858 -40.7858 -40.5755 -40.5755 -40.5755 -40.5755 -5.3541 -5.3541 -5.2490 -5.2490 -3.3386 -3.3386 -3.2385 -3.2385 -0.5324 -0.5324 0.3329 0.3329 2.1402 2.1402 2.4247 2.4247 2.9895 2.9895 3.4341 3.4341 4.1951 4.1951 4.9824 4.9824 5.0989 5.0989 5.1221 5.1221 5.2854 5.2854 6.0721 6.0721 7.1915 7.1915 7.6697 7.6697 7.8286 7.8286 k = 0.3915 0.5636 0.4537 ( 22774 PWs) bands (ev): -40.8130 -40.8130 -40.8100 -40.8100 -40.7888 -40.7888 -40.7858 -40.7858 -40.5755 -40.5755 -40.5755 -40.5755 -5.3313 -5.3313 -5.2115 -5.2115 -3.3252 -3.3252 -3.2108 -3.2108 -0.6229 -0.6229 0.3383 0.3383 2.0362 2.0362 2.3910 2.3910 2.8904 2.8904 3.4707 3.4707 4.2307 4.2307 4.9331 4.9331 5.0584 5.0584 5.1310 5.1310 5.2113 5.2113 6.0408 6.0408 7.1871 7.1871 7.7902 7.7902 7.8535 7.8535 k = 0.3852 0.5895 0.4804 ( 22780 PWs) bands (ev): -40.8130 -40.8130 -40.8096 -40.8096 -40.7891 -40.7891 -40.7858 -40.7858 -40.5755 -40.5755 -40.5755 -40.5755 -5.3076 -5.3076 -5.1721 -5.1721 -3.3118 -3.3118 -3.1819 -3.1819 -0.7161 -0.7161 0.3405 0.3405 1.9400 1.9400 2.3540 2.3540 2.8017 2.8017 3.5090 3.5090 4.2679 4.2679 4.8198 4.8198 5.0564 5.0564 5.1185 5.1185 5.1760 5.1760 6.0235 6.0235 7.1791 7.1791 7.8755 7.8755 7.9071 7.9071 k = 0.3788 0.6155 0.5071 ( 22778 PWs) bands (ev): -40.8130 -40.8130 -40.8092 -40.8092 -40.7895 -40.7895 -40.7858 -40.7858 -40.5755 -40.5755 -40.5755 -40.5755 -5.2834 -5.2834 -5.1307 -5.1307 -3.2986 -3.2986 -3.1520 -3.1520 -0.8114 -0.8114 0.3389 0.3389 1.8526 1.8526 2.3101 2.3101 2.7271 2.7271 3.5490 3.5490 4.3062 4.3062 4.7013 4.7013 4.9786 4.9786 5.1370 5.1370 5.1882 5.1882 6.0161 6.0161 7.1669 7.1669 7.8954 7.8954 8.0175 8.0175 k = 0.3724 0.6414 0.5338 ( 22786 PWs) bands (ev): -40.8130 -40.8130 -40.8088 -40.8088 -40.7898 -40.7898 -40.7858 -40.7858 -40.5755 -40.5755 -40.5755 -40.5755 -5.2585 -5.2585 -5.0876 -5.0876 -3.2856 -3.2856 -3.1213 -3.1213 -0.9083 -0.9083 0.3327 0.3327 1.7748 1.7748 2.2559 2.2559 2.6695 2.6695 3.5903 3.5903 4.3450 4.3450 4.5857 4.5857 4.8760 4.8760 5.1741 5.1741 5.2057 5.2057 6.0152 6.0152 7.1500 7.1500 7.9132 7.9132 8.1131 8.1131 k = 0.3660 0.6673 0.5604 ( 22798 PWs) bands (ev): -40.8130 -40.8130 -40.8084 -40.8084 -40.7902 -40.7902 -40.7858 -40.7858 -40.5755 -40.5755 -40.5755 -40.5755 -5.2333 -5.2333 -5.0428 -5.0428 -3.2731 -3.2731 -3.0899 -3.0899 -1.0060 -1.0060 0.3214 0.3214 1.7073 1.7073 2.1909 2.1909 2.6292 2.6292 3.6329 3.6329 4.3813 4.3813 4.4773 4.4773 4.7701 4.7701 5.2143 5.2143 5.2244 5.2244 6.0188 6.0188 7.1280 7.1280 7.9291 7.9291 8.1611 8.1611 k = 0.3596 0.6932 0.5871 ( 22806 PWs) bands (ev): -40.8130 -40.8130 -40.8080 -40.8080 -40.7906 -40.7906 -40.7858 -40.7858 -40.5755 -40.5755 -40.5754 -40.5754 -5.2078 -5.2078 -4.9965 -4.9965 -3.2611 -3.2611 -3.0581 -3.0581 -1.1038 -1.1038 0.3044 0.3044 1.6505 1.6505 2.1172 2.1172 2.6037 2.6037 3.6766 3.6766 4.3548 4.3548 4.4356 4.4356 4.6665 4.6665 5.2386 5.2386 5.2602 5.2602 6.0251 6.0251 7.1005 7.1005 7.9429 7.9429 8.1707 8.1707 k = 0.3533 0.7191 0.6138 ( 22792 PWs) bands (ev): -40.8130 -40.8130 -40.8075 -40.8075 -40.7910 -40.7910 -40.7857 -40.7857 -40.5755 -40.5755 -40.5754 -40.5754 -5.1822 -5.1822 -4.9487 -4.9487 -3.2498 -3.2498 -3.0261 -3.0261 -1.2010 -1.2010 0.2818 0.2818 1.6046 1.6046 2.0381 2.0381 2.5892 2.5892 3.7211 3.7211 4.2578 4.2578 4.4608 4.4608 4.5753 4.5753 5.2543 5.2543 5.3051 5.3051 6.0333 6.0333 7.0673 7.0673 7.9542 7.9542 8.1701 8.1701 k = 0.3469 0.7450 0.6405 ( 22782 PWs) bands (ev): -40.8130 -40.8130 -40.8071 -40.8071 -40.7915 -40.7915 -40.7857 -40.7857 -40.5754 -40.5754 -40.5754 -40.5754 -5.1567 -5.1567 -4.8997 -4.8997 -3.2392 -3.2392 -2.9944 -2.9944 -1.2969 -1.2969 0.2538 0.2538 1.5693 1.5693 1.9569 1.9569 2.5819 2.5819 3.7661 3.7661 4.1627 4.1627 4.4300 4.4300 4.5491 4.5491 5.2681 5.2681 5.3516 5.3516 6.0427 6.0427 7.0284 7.0284 7.9628 7.9628 8.1635 8.1635 k = 0.3405 0.7709 0.6672 ( 22752 PWs) bands (ev): -40.8130 -40.8130 -40.8066 -40.8066 -40.7919 -40.7919 -40.7857 -40.7857 -40.5754 -40.5754 -40.5754 -40.5754 -5.1315 -5.1315 -4.8496 -4.8496 -3.2296 -3.2296 -2.9634 -2.9634 -1.3907 -1.3907 0.2209 0.2209 1.5439 1.5439 1.8756 1.8756 2.5790 2.5790 3.8112 3.8112 4.0734 4.0734 4.3470 4.3470 4.5816 4.5816 5.2799 5.2799 5.3992 5.3992 6.0528 6.0528 6.9838 6.9838 7.9681 7.9681 8.1518 8.1518 k = 0.3341 0.7969 0.6939 ( 22750 PWs) bands (ev): -40.8129 -40.8129 -40.8061 -40.8061 -40.7924 -40.7924 -40.7857 -40.7857 -40.5754 -40.5754 -40.5754 -40.5754 -5.1067 -5.1067 -4.7987 -4.7987 -3.2208 -3.2208 -2.9336 -2.9336 -1.4816 -1.4816 0.1842 0.1842 1.5274 1.5274 1.7958 1.7958 2.5783 2.5783 3.8553 3.8553 3.9917 3.9917 4.2618 4.2618 4.6233 4.6233 5.2897 5.2897 5.4478 5.4478 6.0633 6.0633 6.9340 6.9340 7.9697 7.9697 8.1354 8.1354 k = 0.3278 0.8228 0.7206 ( 22762 PWs) bands (ev): -40.8129 -40.8129 -40.8056 -40.8056 -40.7928 -40.7928 -40.7857 -40.7857 -40.5754 -40.5754 -40.5754 -40.5754 -5.0825 -5.0825 -4.7472 -4.7472 -3.2129 -3.2129 -2.9059 -2.9059 -1.5684 -1.5684 0.1445 0.1445 1.5188 1.5188 1.7185 1.7185 2.5781 2.5781 3.8882 3.8882 3.9277 3.9277 4.1826 4.1826 4.6668 4.6668 5.2970 5.2970 5.4971 5.4971 6.0739 6.0739 6.8795 6.8795 7.9671 7.9671 8.1146 8.1146 k = 0.3214 0.8487 0.7473 ( 22772 PWs) bands (ev): -40.8129 -40.8129 -40.8051 -40.8051 -40.7933 -40.7933 -40.7857 -40.7857 -40.5754 -40.5754 -40.5754 -40.5754 -5.0593 -5.0593 -4.6955 -4.6955 -3.2058 -3.2058 -2.8811 -2.8811 -1.6499 -1.6499 0.1030 0.1030 1.5167 1.5167 1.6445 1.6445 2.5767 2.5767 3.8410 3.8410 3.9496 3.9496 4.1124 4.1124 4.7105 4.7105 5.3018 5.3018 5.5471 5.5471 6.0846 6.0846 6.8210 6.8210 7.9603 7.9603 8.0901 8.0901 k = 0.3150 0.8746 0.7739 ( 22776 PWs) bands (ev): -40.8129 -40.8129 -40.8046 -40.8046 -40.7938 -40.7938 -40.7857 -40.7857 -40.5754 -40.5754 -40.5754 -40.5754 -5.0371 -5.0371 -4.6439 -4.6439 -3.1993 -3.1993 -2.8605 -2.8605 -1.7249 -1.7249 0.0608 0.0608 1.5201 1.5201 1.5742 1.5742 2.5730 2.5730 3.7822 3.7822 3.9842 3.9842 4.0572 4.0572 4.7534 4.7534 5.3039 5.3039 5.5975 5.5975 6.0952 6.0952 6.7593 6.7593 7.9495 7.9495 8.0626 8.0626 k = 0.3086 0.9005 0.8006 ( 22742 PWs) bands (ev): -40.8129 -40.8129 -40.8041 -40.8041 -40.7943 -40.7943 -40.7857 -40.7857 -40.5754 -40.5754 -40.5754 -40.5754 -5.0163 -5.0163 -4.5928 -4.5928 -3.1933 -3.1933 -2.8455 -2.8455 -1.7916 -1.7916 0.0185 0.0185 1.5080 1.5080 1.5280 1.5280 2.5660 2.5660 3.7306 3.7306 3.9788 3.9788 4.0516 4.0516 4.7950 4.7950 5.3033 5.3033 5.6483 5.6483 6.1056 6.1056 6.6953 6.6953 7.9347 7.9347 8.0324 8.0324 k = 0.3022 0.9264 0.8273 ( 22746 PWs) bands (ev): -40.8129 -40.8129 -40.8036 -40.8036 -40.7948 -40.7948 -40.7857 -40.7857 -40.5754 -40.5754 -40.5754 -40.5754 -4.9970 -4.9970 -4.5429 -4.5429 -3.1874 -3.1874 -2.8377 -2.8377 -1.8484 -1.8484 -0.0228 -0.0228 1.4461 1.4461 1.5394 1.5394 2.5551 2.5551 3.6873 3.6873 3.9434 3.9434 4.0850 4.0850 4.8345 4.8345 5.2998 5.2998 5.6994 5.6994 6.1159 6.1159 6.6301 6.6301 7.9148 7.9148 7.9932 7.9932 k = 0.2959 0.9523 0.8540 ( 22746 PWs) bands (ev): -40.8129 -40.8129 -40.8031 -40.8031 -40.7953 -40.7953 -40.7857 -40.7857 -40.5754 -40.5754 -40.5754 -40.5754 -4.9795 -4.9795 -4.4946 -4.4946 -3.1812 -3.1812 -2.8386 -2.8386 -1.8934 -1.8934 -0.0628 -0.0628 1.3888 1.3888 1.5536 1.5536 2.5399 2.5399 3.6525 3.6525 3.9135 3.9135 4.1213 4.1213 4.8710 4.8710 5.2936 5.2936 5.7508 5.7508 6.1260 6.1260 6.5647 6.5647 7.8757 7.8757 7.9309 7.9309 k = 0.2895 0.9782 0.8807 ( 22750 PWs) bands (ev): -40.8129 -40.8129 -40.8025 -40.8025 -40.7958 -40.7958 -40.7857 -40.7857 -40.5754 -40.5754 -40.5754 -40.5754 -4.9640 -4.9640 -4.4487 -4.4487 -3.1740 -3.1740 -2.8494 -2.8494 -1.9254 -1.9254 -0.1010 -0.1010 1.3361 1.3361 1.5702 1.5702 2.5207 2.5207 3.6264 3.6264 3.8931 3.8931 4.1557 4.1557 4.9039 4.9039 5.2849 5.2849 5.8025 5.8025 6.1360 6.1360 6.5003 6.5003 7.7964 7.7964 7.8996 7.8996 k = 0.2831 1.0042 0.9074 ( 22746 PWs) bands (ev): -40.8129 -40.8129 -40.8020 -40.8020 -40.7963 -40.7963 -40.7857 -40.7857 -40.5754 -40.5754 -40.5754 -40.5754 -4.9508 -4.9508 -4.4060 -4.4060 -3.1652 -3.1652 -2.8706 -2.8706 -1.9439 -1.9439 -0.1370 -0.1370 1.2880 1.2880 1.5888 1.5888 2.4979 2.4979 3.6088 3.6088 3.8820 3.8820 4.1871 4.1871 4.9321 4.9321 5.2740 5.2740 5.8545 5.8545 6.1460 6.1460 6.4380 6.4380 7.7068 7.7068 7.8807 7.8807 k = 0.2767 1.0301 0.9341 ( 22752 PWs) bands (ev): -40.8129 -40.8129 -40.8014 -40.8014 -40.7969 -40.7969 -40.7857 -40.7857 -40.5754 -40.5754 -40.5754 -40.5754 -4.9400 -4.9400 -4.3673 -4.3673 -3.1540 -3.1540 -2.9016 -2.9016 -1.9493 -1.9493 -0.1707 -0.1707 1.2447 1.2447 1.6095 1.6095 2.4726 2.4726 3.5996 3.5996 3.8796 3.8796 4.2146 4.2146 4.9548 4.9548 5.2611 5.2611 5.9070 5.9070 6.1561 6.1561 6.3791 6.3791 7.6179 7.6179 7.8654 7.8654 k = 0.2703 1.0560 0.9608 ( 22760 PWs) bands (ev): -40.8129 -40.8129 -40.8009 -40.8009 -40.7974 -40.7974 -40.7857 -40.7857 -40.5754 -40.5754 -40.5754 -40.5754 -4.9318 -4.9318 -4.3333 -4.3333 -3.1397 -3.1397 -2.9412 -2.9412 -1.9429 -1.9429 -0.2020 -0.2020 1.2059 1.2059 1.6321 1.6321 2.4458 2.4458 3.5983 3.5983 3.8846 3.8846 4.2378 4.2378 4.9708 4.9708 5.2468 5.2468 5.9600 5.9600 6.1664 6.1664 6.3246 6.3246 7.5320 7.5320 7.8526 7.8526 k = 0.2640 1.0819 0.9874 ( 22776 PWs) bands (ev): -40.8129 -40.8129 -40.8004 -40.8004 -40.7980 -40.7980 -40.7857 -40.7857 -40.5754 -40.5754 -40.5754 -40.5754 -4.9264 -4.9264 -4.3050 -4.3050 -3.1215 -3.1215 -2.9875 -2.9875 -1.9265 -1.9265 -0.2309 -0.2309 1.1717 1.1717 1.6571 1.6571 2.4189 2.4189 3.6043 3.6043 3.8958 3.8958 4.2562 4.2562 4.9794 4.9794 5.2316 5.2316 6.0136 6.0136 6.1771 6.1771 6.2757 6.2757 7.4497 7.4497 7.8396 7.8396 k = 0.2576 1.1078 1.0141 ( 22760 PWs) bands (ev): -40.8129 -40.8129 -40.7998 -40.7998 -40.7985 -40.7985 -40.7857 -40.7857 -40.5754 -40.5754 -40.5754 -40.5754 -4.9240 -4.9240 -4.2828 -4.2828 -3.0987 -3.0987 -3.0387 -3.0387 -1.9020 -1.9020 -0.2573 -0.2573 1.1420 1.1420 1.6845 1.6845 2.3931 2.3931 3.6167 3.6167 3.9117 3.9117 4.2695 4.2695 4.9800 4.9800 5.2162 5.2162 6.0678 6.0678 6.1874 6.1874 6.2342 6.2342 7.3717 7.3717 7.8151 7.8151 k = 0.2576 1.1078 1.0141 ( 22760 PWs) bands (ev): -40.8129 -40.8129 -40.7998 -40.7998 -40.7985 -40.7985 -40.7857 -40.7857 -40.5754 -40.5754 -40.5754 -40.5754 -4.9240 -4.9240 -4.2828 -4.2828 -3.0987 -3.0987 -3.0387 -3.0387 -1.9020 -1.9020 -0.2573 -0.2573 1.1420 1.1420 1.6845 1.6845 2.3931 2.3931 3.6167 3.6167 3.9117 3.9117 4.2695 4.2695 4.9800 4.9800 5.2162 5.2162 6.0678 6.0678 6.1874 6.1874 6.2342 6.2342 7.3717 7.3717 7.8151 7.8151 k = 0.2208 1.1034 1.0187 ( 22761 PWs) bands (ev): -40.8129 -40.8129 -40.7997 -40.7997 -40.7986 -40.7986 -40.7857 -40.7857 -40.5754 -40.5754 -40.5754 -40.5754 -4.9239 -4.9239 -4.2795 -4.2795 -3.0955 -3.0955 -3.0473 -3.0473 -1.8963 -1.8963 -0.2623 -0.2623 1.1404 1.1404 1.6794 1.6794 2.4045 2.4045 3.5716 3.5716 3.9627 3.9627 4.2720 4.2720 4.9785 4.9785 5.2008 5.2008 6.0780 6.0780 6.1955 6.1955 6.2292 6.2292 7.3349 7.3349 7.8104 7.8104 k = 0.1840 1.0990 1.0232 ( 22759 PWs) bands (ev): -40.8129 -40.8129 -40.7996 -40.7996 -40.7987 -40.7987 -40.7857 -40.7857 -40.5754 -40.5754 -40.5754 -40.5754 -4.9241 -4.9241 -4.2759 -4.2759 -3.0944 -3.0944 -3.0545 -3.0545 -1.8892 -1.8892 -0.2681 -0.2681 1.1447 1.1447 1.6566 1.6566 2.4446 2.4446 3.4750 3.4750 4.0647 4.0647 4.2765 4.2765 4.9752 4.9752 5.1614 5.1614 6.0896 6.0896 6.2066 6.2066 6.2351 6.2351 7.2661 7.2661 7.8061 7.8061 k = 0.1472 1.0946 1.0277 ( 22755 PWs) bands (ev): -40.8129 -40.8129 -40.7995 -40.7995 -40.7988 -40.7988 -40.7857 -40.7857 -40.5754 -40.5754 -40.5754 -40.5754 -4.9243 -4.9243 -4.2726 -4.2726 -3.0953 -3.0953 -3.0597 -3.0597 -1.8817 -1.8817 -0.2742 -0.2742 1.1542 1.1542 1.6228 1.6228 2.5069 2.5069 3.3646 3.3646 4.1741 4.1741 4.2889 4.2889 4.9689 4.9689 5.1032 5.1032 6.1022 6.1022 6.2039 6.2039 6.2646 6.2646 7.1873 7.1873 7.8025 7.8025 k = 0.1104 1.0902 1.0322 ( 22755 PWs) bands (ev): -40.8129 -40.8129 -40.7994 -40.7994 -40.7989 -40.7989 -40.7857 -40.7857 -40.5754 -40.5754 -40.5754 -40.5754 -4.9246 -4.9246 -4.2696 -4.2696 -3.0976 -3.0976 -3.0630 -3.0630 -1.8748 -1.8748 -0.2798 -0.2798 1.1673 1.1673 1.5855 1.5855 2.5846 2.5846 3.2517 3.2517 4.2432 4.2432 4.3456 4.3456 4.9515 4.9515 5.0385 5.0385 6.1152 6.1152 6.1961 6.1961 6.3032 6.3032 7.1116 7.1116 7.7995 7.7995 k = 0.0736 1.0858 1.0368 ( 22751 PWs) bands (ev): -40.8129 -40.8129 -40.7993 -40.7993 -40.7990 -40.7990 -40.7857 -40.7857 -40.5754 -40.5754 -40.5754 -40.5754 -4.9248 -4.9248 -4.2673 -4.2673 -3.1002 -3.1002 -3.0648 -3.0648 -1.8692 -1.8692 -0.2844 -0.2844 1.1814 1.1814 1.5516 1.5516 2.6712 2.6712 3.1415 3.1415 4.2587 4.2587 4.4555 4.4555 4.8942 4.8942 5.0004 5.0004 6.1278 6.1278 6.1872 6.1872 6.3405 6.3405 7.0481 7.0481 7.7975 7.7975 k = 0.0368 1.0814 1.0413 ( 22747 PWs) bands (ev): -40.8129 -40.8129 -40.7992 -40.7992 -40.7991 -40.7991 -40.7857 -40.7857 -40.5754 -40.5754 -40.5754 -40.5754 -4.9250 -4.9250 -4.2658 -4.2658 -3.1022 -3.1022 -3.0657 -3.0657 -1.8656 -1.8656 -0.2873 -0.2873 1.1926 1.1926 1.5276 1.5276 2.7571 2.7571 3.0421 3.0421 4.2628 4.2628 4.5739 4.5739 4.7998 4.7998 4.9899 4.9899 6.1385 6.1385 6.1787 6.1787 6.3683 6.3683 7.0049 7.0049 7.7962 7.7962 k = 0.0000 1.0770 1.0458 ( 22762 PWs) bands (ev): -40.8129 -40.8129 -40.7992 -40.7992 -40.7991 -40.7991 -40.7857 -40.7857 -40.5754 -40.5754 -40.5754 -40.5754 -4.9250 -4.9250 -4.2653 -4.2653 -3.1029 -3.1029 -3.0659 -3.0659 -1.8644 -1.8644 -0.2884 -0.2884 1.1969 1.1969 1.5188 1.5188 2.8056 2.8056 2.9892 2.9892 4.2638 4.2638 4.6809 4.6809 4.6997 4.6997 4.9876 4.9876 6.1435 6.1435 6.1745 6.1745 6.3786 6.3786 6.9894 6.9894 7.7958 7.7958 k = 0.0000 1.0770 1.0458 ( 22762 PWs) bands (ev): -40.8129 -40.8129 -40.7992 -40.7992 -40.7991 -40.7991 -40.7857 -40.7857 -40.5754 -40.5754 -40.5754 -40.5754 -4.9250 -4.9250 -4.2653 -4.2653 -3.1029 -3.1029 -3.0659 -3.0659 -1.8644 -1.8644 -0.2884 -0.2884 1.1969 1.1969 1.5188 1.5188 2.8056 2.8056 2.9892 2.9892 4.2638 4.2638 4.6809 4.6809 4.6997 4.6997 4.9876 4.9876 6.1435 6.1435 6.1745 6.1745 6.3786 6.3786 6.9894 6.9894 7.7958 7.7958 k = 0.0064 1.0510 1.0726 ( 22756 PWs) bands (ev): -40.8129 -40.8129 -40.7992 -40.7992 -40.7991 -40.7991 -40.7857 -40.7857 -40.5754 -40.5754 -40.5754 -40.5754 -4.9237 -4.9237 -4.2640 -4.2640 -3.1022 -3.1022 -3.0651 -3.0651 -1.8638 -1.8638 -0.2891 -0.2891 1.1977 1.1977 1.5195 1.5195 2.8032 2.8032 2.9897 2.9897 4.2313 4.2313 4.6653 4.6653 4.7357 4.7357 4.9704 4.9704 6.1333 6.1333 6.1532 6.1532 6.4153 6.4153 6.9932 6.9932 7.7589 7.7589 k = 0.0128 1.0250 1.0995 ( 22756 PWs) bands (ev): -40.8128 -40.8128 -40.7991 -40.7991 -40.7991 -40.7991 -40.7857 -40.7857 -40.5754 -40.5754 -40.5754 -40.5754 -4.9195 -4.9195 -4.2602 -4.2602 -3.1000 -3.1000 -3.0628 -3.0628 -1.8619 -1.8619 -0.2914 -0.2914 1.2000 1.2000 1.5215 1.5215 2.7958 2.7958 2.9914 2.9914 4.1523 4.1523 4.6343 4.6343 4.8028 4.8028 4.9294 4.9294 6.0999 6.0999 6.1087 6.1087 6.5053 6.5053 7.0038 7.0038 7.6685 7.6685 k = 0.0192 0.9989 1.1263 ( 22760 PWs) bands (ev): -40.8128 -40.8128 -40.7991 -40.7991 -40.7991 -40.7991 -40.7858 -40.7858 -40.5754 -40.5754 -40.5754 -40.5754 -4.9125 -4.9125 -4.2537 -4.2537 -3.0963 -3.0963 -3.0590 -3.0590 -1.8589 -1.8589 -0.2953 -0.2953 1.2039 1.2039 1.5249 1.5249 2.7832 2.7832 2.9941 2.9941 4.0530 4.0530 4.5762 4.5762 4.8427 4.8427 4.9187 4.9187 6.0383 6.0383 6.0610 6.0610 6.6263 6.6263 7.0178 7.0178 7.5569 7.5569 k = 0.0256 0.9729 1.1531 ( 22764 PWs) bands (ev): -40.8127 -40.8127 -40.7991 -40.7991 -40.7991 -40.7991 -40.7858 -40.7858 -40.5754 -40.5754 -40.5754 -40.5754 -4.9028 -4.9028 -4.2448 -4.2448 -3.0912 -3.0912 -3.0537 -3.0537 -1.8547 -1.8547 -0.3010 -0.3010 1.2092 1.2092 1.5296 1.5296 2.7646 2.7646 2.9979 2.9979 3.9478 3.9478 4.4832 4.4832 4.8129 4.8129 4.9842 4.9842 5.9626 5.9626 6.0020 6.0020 6.7654 6.7654 7.0262 7.0262 7.4496 7.4496 k = 0.0321 0.9469 1.1799 ( 22760 PWs) bands (ev): -40.8126 -40.8126 -40.7991 -40.7991 -40.7991 -40.7991 -40.7859 -40.7859 -40.5754 -40.5754 -40.5754 -40.5754 -4.8902 -4.8902 -4.2332 -4.2332 -3.0846 -3.0846 -3.0469 -3.0469 -1.8494 -1.8494 -0.3086 -0.3086 1.2160 1.2160 1.5356 1.5356 2.7393 2.7393 3.0026 3.0026 3.8439 3.8439 4.3609 4.3609 4.7826 4.7826 5.0505 5.0505 5.8762 5.8762 5.9343 5.9343 6.9098 6.9098 7.0115 7.0115 7.3759 7.3759 k = 0.0385 0.9208 1.2067 ( 22760 PWs) bands (ev): -40.8125 -40.8125 -40.7991 -40.7991 -40.7991 -40.7991 -40.7860 -40.7860 -40.5754 -40.5754 -40.5754 -40.5754 -4.8749 -4.8749 -4.2191 -4.2191 -3.0767 -3.0767 -3.0387 -3.0387 -1.8431 -1.8431 -0.3183 -0.3183 1.2241 1.2241 1.5429 1.5429 2.7065 2.7065 3.0081 3.0081 3.7457 3.7457 4.2205 4.2205 4.7567 4.7567 5.1002 5.1002 5.7812 5.7812 5.8627 5.8627 6.9311 6.9311 7.0720 7.0720 7.3613 7.3613 k = 0.0449 0.8948 1.2335 ( 22752 PWs) bands (ev): -40.8123 -40.8123 -40.7991 -40.7991 -40.7991 -40.7991 -40.7862 -40.7862 -40.5754 -40.5754 -40.5754 -40.5754 -4.8568 -4.8568 -4.2025 -4.2025 -3.0673 -3.0673 -3.0290 -3.0290 -1.8358 -1.8358 -0.3305 -0.3305 1.2335 1.2335 1.5515 1.5515 2.6657 2.6657 3.0143 3.0143 3.6561 3.6561 4.0703 4.0703 4.7316 4.7316 5.1259 5.1259 5.6803 5.6803 5.7924 5.7924 6.8310 6.8310 7.2074 7.2074 7.3970 7.3970 k = 0.0513 0.8687 1.2603 ( 22752 PWs) bands (ev): -40.8121 -40.8121 -40.7991 -40.7991 -40.7991 -40.7991 -40.7863 -40.7863 -40.5754 -40.5754 -40.5754 -40.5754 -4.8360 -4.8360 -4.1834 -4.1834 -3.0566 -3.0566 -3.0179 -3.0179 -1.8276 -1.8276 -0.3454 -0.3454 1.2440 1.2440 1.5613 1.5613 2.6165 2.6165 3.0210 3.0210 3.5770 3.5770 3.9156 3.9156 4.7045 4.7045 5.1221 5.1221 5.5757 5.5757 5.7274 5.7274 6.7165 6.7165 7.3197 7.3197 7.4613 7.4613 k = 0.0577 0.8427 1.2872 ( 22750 PWs) bands (ev): -40.8119 -40.8119 -40.7991 -40.7991 -40.7991 -40.7991 -40.7865 -40.7865 -40.5754 -40.5754 -40.5754 -40.5754 -4.8123 -4.8123 -4.1618 -4.1618 -3.0447 -3.0447 -3.0054 -3.0054 -1.8186 -1.8186 -0.3635 -0.3635 1.2555 1.2555 1.5724 1.5724 2.5597 2.5597 3.0276 3.0276 3.5088 3.5088 3.7600 3.7600 4.6732 4.6732 5.0873 5.0873 5.4701 5.4701 5.6678 5.6678 6.6046 6.6046 7.3882 7.3882 7.5408 7.5408 k = 0.0641 0.8167 1.3140 ( 22742 PWs) bands (ev): -40.8117 -40.8117 -40.7991 -40.7991 -40.7991 -40.7991 -40.7867 -40.7867 -40.5754 -40.5754 -40.5754 -40.5754 -4.7860 -4.7860 -4.1377 -4.1377 -3.0314 -3.0314 -2.9916 -2.9916 -1.8090 -1.8090 -0.3852 -0.3852 1.2678 1.2678 1.5846 1.5846 2.4966 2.4966 3.0335 3.0335 3.4505 3.4505 3.6073 3.6073 4.6360 4.6360 5.0249 5.0249 5.3658 5.3658 5.6083 5.6083 6.5042 6.5042 7.4029 7.4029 7.6289 7.6289 k = 0.0705 0.7906 1.3408 ( 22752 PWs) bands (ev): -40.8115 -40.8115 -40.7991 -40.7991 -40.7991 -40.7991 -40.7869 -40.7869 -40.5754 -40.5754 -40.5754 -40.5754 -4.7568 -4.7568 -4.1111 -4.1111 -3.0170 -3.0170 -2.9766 -2.9766 -1.7990 -1.7990 -0.4109 -0.4109 1.2805 1.2805 1.5979 1.5979 2.4294 2.4294 3.0368 3.0368 3.3941 3.3941 3.4674 3.4674 4.5912 4.5912 4.9417 4.9417 5.2650 5.2650 5.5411 5.5411 6.4210 6.4210 7.3766 7.3766 7.7222 7.7222 k = 0.0769 0.7646 1.3676 ( 22756 PWs) bands (ev): -40.8112 -40.8112 -40.7991 -40.7991 -40.7991 -40.7991 -40.7871 -40.7871 -40.5754 -40.5754 -40.5754 -40.5754 -4.7250 -4.7250 -4.0822 -4.0822 -3.0014 -3.0014 -2.9603 -2.9603 -1.7886 -1.7886 -0.4410 -0.4410 1.2935 1.2935 1.6123 1.6123 2.3606 2.3606 3.0320 3.0320 3.2980 3.2980 3.3870 3.3870 4.5374 4.5374 4.8447 4.8447 5.1698 5.1698 5.4601 5.4601 6.3573 6.3573 7.3299 7.3299 7.8164 7.8164 k = 0.0833 0.7385 1.3944 ( 22784 PWs) bands (ev): -40.8110 -40.8110 -40.7991 -40.7991 -40.7991 -40.7991 -40.7874 -40.7874 -40.5754 -40.5754 -40.5754 -40.5754 -4.6904 -4.6904 -4.0508 -4.0508 -2.9848 -2.9848 -2.9428 -2.9428 -1.7781 -1.7781 -0.4761 -0.4761 1.3063 1.3063 1.6276 1.6276 2.2930 2.2930 3.0002 3.0002 3.1954 3.1954 3.3509 3.3509 4.4736 4.4736 4.7393 4.7393 5.0815 5.0815 5.3636 5.3636 6.3120 6.3120 7.2759 7.2759 7.7831 7.7831 k = 0.0897 0.7125 1.4212 ( 22760 PWs) bands (ev): -40.8107 -40.8107 -40.7991 -40.7991 -40.7991 -40.7991 -40.7877 -40.7877 -40.5754 -40.5754 -40.5754 -40.5754 -4.6531 -4.6531 -4.0171 -4.0171 -2.9672 -2.9672 -2.9243 -2.9243 -1.7678 -1.7678 -0.5165 -0.5165 1.3186 1.3186 1.6437 1.6437 2.2290 2.2290 2.9133 2.9133 3.1472 3.1472 3.3251 3.3251 4.3997 4.3997 4.6292 4.6292 5.0007 5.0007 5.2534 5.2534 6.2819 6.2819 7.2211 7.2211 7.7015 7.7015 k = 0.0962 0.6865 1.4481 ( 22768 PWs) bands (ev): -40.8103 -40.8103 -40.7991 -40.7991 -40.7991 -40.7991 -40.7880 -40.7880 -40.5754 -40.5754 -40.5754 -40.5754 -4.6130 -4.6130 -3.9810 -3.9810 -2.9487 -2.9487 -2.9048 -2.9048 -1.7578 -1.7578 -0.5627 -0.5627 1.3298 1.3298 1.6605 1.6605 2.1709 2.1709 2.7917 2.7917 3.1372 3.1372 3.3046 3.3046 4.3167 4.3167 4.5171 4.5171 4.9268 4.9268 5.1331 5.1331 6.2625 6.2625 7.1684 7.1684 7.6067 7.6067 k = 0.1026 0.6604 1.4749 ( 22774 PWs) bands (ev): -40.8100 -40.8100 -40.7991 -40.7991 -40.7991 -40.7991 -40.7883 -40.7883 -40.5754 -40.5754 -40.5754 -40.5754 -4.5703 -4.5703 -3.9427 -3.9427 -2.9293 -2.9293 -2.8843 -2.8843 -1.7485 -1.7485 -0.6148 -0.6148 1.3394 1.3394 1.6777 1.6777 2.1204 2.1204 2.6625 2.6625 3.1395 3.1395 3.2876 3.2876 4.2263 4.2263 4.4050 4.4050 4.8586 4.8586 5.0061 5.0061 6.2504 6.2504 7.1195 7.1195 7.5055 7.5055 k = 0.1090 0.6344 1.5017 ( 22794 PWs) bands (ev): -40.8097 -40.8097 -40.7991 -40.7991 -40.7991 -40.7991 -40.7886 -40.7886 -40.5754 -40.5754 -40.5754 -40.5754 -4.5250 -4.5250 -3.9022 -3.9022 -2.9092 -2.9092 -2.8630 -2.8630 -1.7401 -1.7401 -0.6730 -0.6730 1.3472 1.3472 1.6949 1.6949 2.0790 2.0790 2.5350 2.5350 3.1457 3.1457 3.2727 3.2727 4.1306 4.1306 4.2942 4.2942 4.7941 4.7941 4.8753 4.8753 6.2427 6.2427 7.0745 7.0745 7.4025 7.4025 k = 0.1154 0.6084 1.5285 ( 22800 PWs) bands (ev): -40.8093 -40.8093 -40.7991 -40.7991 -40.7990 -40.7990 -40.7889 -40.7889 -40.5754 -40.5754 -40.5754 -40.5754 -4.4770 -4.4770 -3.8595 -3.8595 -2.8886 -2.8886 -2.8409 -2.8409 -1.7331 -1.7331 -0.7374 -0.7374 1.3527 1.3527 1.7116 1.7116 2.0477 2.0477 2.4127 2.4127 3.1530 3.1530 3.2591 3.2591 4.0315 4.0315 4.1861 4.1861 4.7292 4.7292 4.7457 4.7457 6.2374 6.2374 7.0328 7.0328 7.3016 7.3016 k = 0.1218 0.5823 1.5553 ( 22784 PWs) bands (ev): -40.8089 -40.8089 -40.7990 -40.7990 -40.7990 -40.7990 -40.7893 -40.7893 -40.5754 -40.5754 -40.5754 -40.5754 -4.4263 -4.4263 -3.8147 -3.8147 -2.8674 -2.8674 -2.8181 -2.8181 -1.7276 -1.7276 -0.8077 -0.8077 1.3559 1.3559 1.7267 1.7267 2.0266 2.0266 2.2980 2.2980 3.1602 3.1602 3.2459 3.2459 3.9310 3.9310 4.0818 4.0818 4.6078 4.6078 4.6734 4.6734 6.2333 6.2333 6.9913 6.9913 7.2077 7.2077 k = 0.1282 0.5563 1.5821 ( 22780 PWs) bands (ev): -40.8085 -40.8085 -40.7990 -40.7990 -40.7990 -40.7990 -40.7897 -40.7897 -40.5754 -40.5754 -40.5754 -40.5754 -4.3731 -4.3731 -3.7680 -3.7680 -2.8459 -2.8459 -2.7948 -2.7948 -1.7242 -1.7242 -0.8838 -0.8838 1.3570 1.3570 1.7380 1.7380 2.0157 2.0157 2.1938 2.1938 3.1662 3.1662 3.2323 3.2323 3.8304 3.8304 3.9824 3.9824 4.4760 4.4760 4.6130 4.6130 6.2294 6.2294 6.9438 6.9438 7.1285 7.1285 k = 0.1346 0.5302 1.6090 ( 22770 PWs) bands (ev): -40.8081 -40.8081 -40.7990 -40.7990 -40.7990 -40.7990 -40.7901 -40.7901 -40.5754 -40.5754 -40.5754 -40.5754 -4.3172 -4.3172 -3.7193 -3.7193 -2.8241 -2.8241 -2.7711 -2.7711 -1.7232 -1.7232 -0.9651 -0.9651 1.3566 1.3566 1.7420 1.7420 2.0141 2.0141 2.1048 2.1048 3.1697 3.1697 3.2181 3.2181 3.7310 3.7310 3.8892 3.8892 4.3458 4.3458 4.5528 4.5528 6.2252 6.2252 6.8825 6.8825 7.0727 7.0727 k = 0.1410 0.5042 1.6358 ( 22770 PWs) bands (ev): -40.8077 -40.8077 -40.7990 -40.7990 -40.7990 -40.7990 -40.7905 -40.7905 -40.5754 -40.5754 -40.5754 -40.5754 -4.2589 -4.2589 -3.6689 -3.6689 -2.8023 -2.8023 -2.7470 -2.7470 -1.7249 -1.7249 -1.0513 -1.0513 1.3550 1.3550 1.7318 1.7318 2.0183 2.0183 2.0404 2.0404 3.1677 3.1677 3.2044 3.2044 3.6340 3.6340 3.8034 3.8034 4.2182 4.2182 4.4923 4.4923 6.2201 6.2201 6.8071 6.8071 7.0409 7.0409 k = 0.1474 0.4782 1.6626 ( 22770 PWs) bands (ev): -40.8072 -40.8072 -40.7990 -40.7990 -40.7990 -40.7990 -40.7909 -40.7909 -40.5754 -40.5754 -40.5753 -40.5753 -4.1980 -4.1980 -3.6168 -3.6168 -2.7805 -2.7805 -2.7226 -2.7226 -1.7299 -1.7299 -1.1417 -1.1417 1.3530 1.3530 1.7014 1.7014 1.9960 1.9960 2.0386 2.0386 3.1550 3.1550 3.1947 3.1947 3.5402 3.5402 3.7263 3.7263 4.0941 4.0941 4.4314 4.4314 6.2141 6.2141 6.7253 6.7253 7.0259 7.0259 k = 0.1538 0.4521 1.6894 ( 22780 PWs) bands (ev): -40.8068 -40.8068 -40.7990 -40.7990 -40.7990 -40.7990 -40.7913 -40.7913 -40.5754 -40.5754 -40.5753 -40.5753 -4.1347 -4.1347 -3.5632 -3.5632 -2.7589 -2.7589 -2.6981 -2.6981 -1.7383 -1.7383 -1.2358 -1.2358 1.3509 1.3509 1.6528 1.6528 1.9847 1.9847 2.0588 2.0588 3.1302 3.1302 3.1880 3.1880 3.4510 3.4510 3.6591 3.6591 3.9741 3.9741 4.3704 4.3704 6.2069 6.2069 6.6431 6.6431 7.0219 7.0219 k = 0.1603 0.4261 1.7162 ( 22764 PWs) bands (ev): -40.8063 -40.8063 -40.7990 -40.7990 -40.7990 -40.7990 -40.7917 -40.7917 -40.5754 -40.5754 -40.5753 -40.5753 -4.0690 -4.0690 -3.5084 -3.5084 -2.7378 -2.7378 -2.6736 -2.6736 -1.7507 -1.7507 -1.3328 -1.3328 1.3490 1.3490 1.5954 1.5954 1.9907 1.9907 2.0848 2.0848 3.0964 3.0964 3.1788 3.1788 3.3685 3.3685 3.6020 3.6020 3.8595 3.8595 4.3094 4.3094 6.1984 6.1984 6.5635 6.5635 7.0258 7.0258 k = 0.1667 0.4000 1.7430 ( 22776 PWs) bands (ev): -40.8058 -40.8058 -40.7990 -40.7990 -40.7990 -40.7990 -40.7922 -40.7922 -40.5754 -40.5754 -40.5753 -40.5753 -4.0010 -4.0010 -3.4525 -3.4525 -2.7172 -2.7172 -2.6491 -2.6491 -1.7671 -1.7671 -1.4321 -1.4321 1.3474 1.3474 1.5372 1.5372 2.0064 2.0064 2.1151 2.1151 3.0554 3.0554 3.1612 3.1612 3.2967 3.2967 3.5538 3.5538 3.7521 3.7521 4.2488 4.2488 6.1888 6.1888 6.4883 6.4883 7.0359 7.0359 k = 0.1731 0.3740 1.7698 ( 22766 PWs) bands (ev): -40.8053 -40.8053 -40.7990 -40.7990 -40.7990 -40.7990 -40.7927 -40.7927 -40.5753 -40.5753 -40.5753 -40.5753 -3.9307 -3.9307 -3.3958 -3.3958 -2.6973 -2.6973 -2.6248 -2.6248 -1.7879 -1.7879 -1.5331 -1.5331 1.3460 1.3460 1.4827 1.4827 2.0277 2.0277 2.1489 2.1489 3.0089 3.0089 3.1271 3.1271 3.2437 3.2437 3.5096 3.5096 3.6565 3.6565 4.1888 4.1888 6.1780 6.1780 6.4182 6.4182 7.0512 7.0512 k = 0.1795 0.3480 1.7967 ( 22760 PWs) bands (ev): -40.8048 -40.8048 -40.7990 -40.7990 -40.7989 -40.7989 -40.7931 -40.7931 -40.5753 -40.5753 -40.5753 -40.5753 -3.8583 -3.8583 -3.3388 -3.3388 -2.6783 -2.6783 -2.6006 -2.6006 -1.8130 -1.8130 -1.6352 -1.6352 1.3447 1.3447 1.4342 1.4342 2.0524 2.0524 2.1853 2.1853 2.9588 2.9588 3.0748 3.0748 3.2106 3.2106 3.4578 3.4578 3.5835 3.5835 4.1298 4.1298 6.1663 6.1663 6.3540 6.3540 7.0709 7.0709 k = 0.1859 0.3219 1.8235 ( 22758 PWs) bands (ev): -40.8043 -40.8043 -40.7989 -40.7989 -40.7989 -40.7989 -40.7936 -40.7936 -40.5753 -40.5753 -40.5753 -40.5753 -3.7839 -3.7839 -3.2818 -3.2818 -2.6605 -2.6605 -2.5766 -2.5766 -1.8425 -1.8425 -1.7376 -1.7376 1.3428 1.3428 1.3928 1.3928 2.0795 2.0795 2.2237 2.2237 2.9069 2.9069 3.0147 3.0147 3.1872 3.1872 3.3885 3.3885 3.5418 3.5418 4.0722 4.0722 6.1536 6.1536 6.2960 6.2960 7.0944 7.0944 k = 0.1923 0.2959 1.8503 ( 22750 PWs) bands (ev): -40.8038 -40.8038 -40.7989 -40.7989 -40.7989 -40.7989 -40.7941 -40.7941 -40.5753 -40.5753 -40.5753 -40.5753 -3.7076 -3.7076 -3.2256 -3.2256 -2.6439 -2.6439 -2.5527 -2.5527 -1.8763 -1.8763 -1.8397 -1.8397 1.3384 1.3384 1.3607 1.3607 2.1083 2.1083 2.2634 2.2634 2.8551 2.8551 2.9548 2.9548 3.1658 3.1658 3.3102 3.3102 3.5221 3.5221 4.0163 4.0163 6.1404 6.1404 6.2444 6.2444 7.1212 7.1212 k = 0.1987 0.2699 1.8771 ( 22750 PWs) bands (ev): -40.8032 -40.8032 -40.7989 -40.7989 -40.7989 -40.7989 -40.7946 -40.7946 -40.5753 -40.5753 -40.5753 -40.5753 -3.6296 -3.6296 -3.1708 -3.1708 -2.6287 -2.6287 -2.5288 -2.5288 -1.9411 -1.9411 -1.9137 -1.9137 1.3234 1.3234 1.3458 1.3458 2.1385 2.1385 2.3035 2.3035 2.8045 2.8045 2.8982 2.8982 3.1433 3.1433 3.2331 3.2331 3.5141 3.5141 3.9625 3.9625 6.1269 6.1269 6.1994 6.1994 7.1508 7.1508 k = 0.2051 0.2438 1.9039 ( 22756 PWs) bands (ev): -40.8027 -40.8027 -40.7989 -40.7989 -40.7989 -40.7989 -40.7951 -40.7951 -40.5753 -40.5753 -40.5753 -40.5753 -3.5503 -3.5503 -3.1187 -3.1187 -2.6150 -2.6150 -2.5046 -2.5046 -2.0403 -2.0403 -1.9550 -1.9550 1.3043 1.3043 1.3407 1.3407 2.1699 2.1699 2.3433 2.3433 2.7560 2.7560 2.8462 2.8462 3.1184 3.1184 3.1624 3.1624 3.5133 3.5133 3.9109 3.9109 6.1132 6.1132 6.1609 6.1609 7.1828 7.1828 k = 0.2115 0.2178 1.9307 ( 22744 PWs) bands (ev): -40.8022 -40.8022 -40.7989 -40.7989 -40.7989 -40.7989 -40.7957 -40.7957 -40.5753 -40.5753 -40.5753 -40.5753 -3.4700 -3.4700 -3.0707 -3.0707 -2.6029 -2.6029 -2.4798 -2.4798 -2.1365 -2.1365 -1.9991 -1.9991 1.2900 1.2900 1.3362 1.3362 2.2023 2.2023 2.3816 2.3816 2.7106 2.7106 2.7993 2.7993 3.0863 3.0863 3.1050 3.1050 3.5178 3.5178 3.8619 3.8619 6.0997 6.0997 6.1288 6.1288 7.2168 7.2168 k = 0.2179 0.1917 1.9576 ( 22754 PWs) bands (ev): -40.8016 -40.8016 -40.7989 -40.7989 -40.7989 -40.7989 -40.7962 -40.7962 -40.5753 -40.5753 -40.5753 -40.5753 -3.3893 -3.3893 -3.0289 -3.0289 -2.5923 -2.5923 -2.4539 -2.4539 -2.2282 -2.2282 -2.0457 -2.0457 1.2809 1.2809 1.3310 1.3310 2.2356 2.2356 2.4169 2.4169 2.6689 2.6689 2.7577 2.7577 3.0392 3.0392 3.0707 3.0707 3.5267 3.5267 3.8156 3.8156 6.0867 6.0867 6.1032 6.1032 7.2526 7.2526 k = 0.2244 0.1657 1.9844 ( 22772 PWs) bands (ev): -40.8011 -40.8011 -40.7989 -40.7989 -40.7989 -40.7989 -40.7967 -40.7967 -40.5753 -40.5753 -40.5753 -40.5753 -3.3091 -3.3091 -2.9963 -2.9963 -2.5829 -2.5829 -2.4264 -2.4264 -2.3132 -2.3132 -2.0937 -2.0937 1.2765 1.2765 1.3249 1.3249 2.2698 2.2698 2.4462 2.4462 2.6328 2.6328 2.7213 2.7213 2.9972 2.9972 3.0418 3.0418 3.5395 3.5395 3.7723 3.7723 6.0742 6.0742 6.0839 6.0839 7.2898 7.2898 k = 0.2308 0.1397 2.0112 ( 22770 PWs) bands (ev): -40.8006 -40.8006 -40.7989 -40.7989 -40.7989 -40.7989 -40.7973 -40.7973 -40.5753 -40.5753 -40.5753 -40.5753 -3.2306 -3.2306 -2.9767 -2.9767 -2.5740 -2.5740 -2.4014 -2.4014 -2.3834 -2.3834 -2.1424 -2.1424 1.2761 1.2761 1.3179 1.3179 2.3045 2.3045 2.4643 2.4643 2.6065 2.6065 2.6900 2.6900 2.9667 2.9667 3.0141 3.0141 3.5560 3.5560 3.7321 3.7321 6.0627 6.0627 6.0707 6.0707 7.3283 7.3283 k = 0.2372 0.1136 2.0380 ( 22774 PWs) bands (ev): -40.8000 -40.8000 -40.7989 -40.7989 -40.7989 -40.7989 -40.7978 -40.7978 -40.5753 -40.5753 -40.5753 -40.5753 -3.1559 -3.1559 -2.9744 -2.9744 -2.5645 -2.5645 -2.4532 -2.4532 -2.3606 -2.3606 -2.1907 -2.1907 1.2787 1.2787 1.3104 1.3104 2.3394 2.3394 2.4638 2.4638 2.5968 2.5968 2.6632 2.6632 2.9488 2.9488 2.9887 2.9887 3.5758 3.5758 3.6954 3.6954 6.0539 6.0539 6.0618 6.0618 7.3680 7.3680 k = 0.2436 0.0876 2.0648 ( 22796 PWs) bands (ev): -40.7995 -40.7995 -40.7989 -40.7989 -40.7989 -40.7989 -40.7984 -40.7984 -40.5753 -40.5753 -40.5753 -40.5753 -3.0882 -3.0882 -2.9929 -2.9929 -2.5519 -2.5519 -2.4997 -2.4997 -2.3236 -2.3236 -2.2375 -2.2375 1.2831 1.2831 1.3033 1.3033 2.3728 2.3728 2.4458 2.4458 2.6032 2.6032 2.6406 2.6406 2.9431 2.9431 2.9678 2.9678 3.5981 3.5981 3.6630 3.6630 6.0486 6.0486 6.0564 6.0564 7.4086 7.4086 k = 0.2500 0.0615 2.0916 ( 22792 PWs) bands (ev): -40.7989 -40.7989 -40.7989 -40.7989 -40.7989 -40.7989 -40.7989 -40.7989 -40.5753 -40.5753 -40.5753 -40.5753 -3.0330 -3.0330 -3.0312 -3.0312 -2.5365 -2.5365 -2.5269 -2.5269 -2.2866 -2.2866 -2.2778 -2.2778 1.2860 1.2860 1.2995 1.2995 2.3941 2.3941 2.4285 2.4285 2.6139 2.6139 2.6257 2.6257 2.9449 2.9449 2.9570 2.9570 3.6144 3.6144 3.6432 3.6432 6.0469 6.0469 6.0546 6.0546 7.4485 7.4485 k = 0.2500 0.0615 2.0916 ( 22792 PWs) bands (ev): -40.7989 -40.7989 -40.7989 -40.7989 -40.7989 -40.7989 -40.7989 -40.7989 -40.5753 -40.5753 -40.5753 -40.5753 -3.0330 -3.0330 -3.0312 -3.0312 -2.5365 -2.5365 -2.5269 -2.5269 -2.2866 -2.2866 -2.2778 -2.2778 1.2860 1.2860 1.2995 1.2995 2.3941 2.3941 2.4285 2.4285 2.6139 2.6139 2.6257 2.6257 2.9449 2.9449 2.9570 2.9570 3.6144 3.6144 3.6432 3.6432 6.0469 6.0469 6.0546 6.0546 7.4485 7.4485 k = 0.2857 0.0703 2.0826 ( 22797 PWs) bands (ev): -40.7990 -40.7990 -40.7990 -40.7990 -40.7988 -40.7988 -40.7988 -40.7988 -40.5753 -40.5753 -40.5753 -40.5753 -3.0429 -3.0429 -3.0224 -3.0224 -2.5383 -2.5383 -2.5243 -2.5243 -2.2921 -2.2921 -2.2721 -2.2721 1.2860 1.2860 1.2995 1.2995 2.3928 2.3928 2.4284 2.4284 2.6141 2.6141 2.6284 2.6284 2.9440 2.9440 2.9563 2.9563 3.6143 3.6143 3.6444 3.6444 6.0463 6.0463 6.0540 6.0540 7.4441 7.4441 k = 0.3214 0.0791 2.0735 ( 22781 PWs) bands (ev): -40.7991 -40.7991 -40.7991 -40.7991 -40.7987 -40.7987 -40.7987 -40.7987 -40.5753 -40.5753 -40.5753 -40.5753 -3.0518 -3.0518 -3.0172 -3.0172 -2.5395 -2.5395 -2.5199 -2.5199 -2.2979 -2.2979 -2.2660 -2.2660 1.2862 1.2862 1.2995 1.2995 2.3909 2.3909 2.4265 2.4265 2.6153 2.6153 2.6352 2.6352 2.9423 2.9423 2.9539 2.9539 3.6153 3.6153 3.6459 3.6459 6.0444 6.0444 6.0525 6.0525 7.4464 7.4464 k = 0.3571 0.0879 2.0645 ( 22758 PWs) bands (ev): -40.7992 -40.7992 -40.7992 -40.7992 -40.7986 -40.7986 -40.7986 -40.7986 -40.5753 -40.5753 -40.5753 -40.5753 -3.0589 -3.0589 -3.0171 -3.0171 -2.5378 -2.5378 -2.5156 -2.5156 -2.3011 -2.3011 -2.2626 -2.2626 1.2867 1.2867 1.2991 1.2991 2.3896 2.3896 2.4223 2.4223 2.6187 2.6187 2.6435 2.6435 2.9403 2.9403 2.9506 2.9506 3.6181 3.6181 3.6466 3.6466 6.0414 6.0414 6.0506 6.0506 7.4562 7.4562 k = 0.3929 0.0967 2.0554 ( 22750 PWs) bands (ev): -40.7993 -40.7993 -40.7993 -40.7993 -40.7985 -40.7985 -40.7985 -40.7985 -40.5753 -40.5753 -40.5753 -40.5753 -3.0640 -3.0640 -3.0223 -3.0223 -2.5325 -2.5325 -2.5113 -2.5113 -2.3014 -2.3014 -2.2623 -2.2623 1.2876 1.2876 1.2984 1.2984 2.3892 2.3892 2.4165 2.4165 2.6243 2.6243 2.6509 2.6509 2.9383 2.9383 2.9476 2.9476 3.6222 3.6222 3.6461 3.6461 6.0384 6.0384 6.0482 6.0482 7.4721 7.4721 k = 0.4286 0.1055 2.0464 ( 22751 PWs) bands (ev): -40.7994 -40.7994 -40.7994 -40.7994 -40.7984 -40.7984 -40.7984 -40.7984 -40.5753 -40.5753 -40.5753 -40.5753 -3.0672 -3.0672 -3.0328 -3.0328 -2.5239 -2.5239 -2.5073 -2.5073 -2.2984 -2.2984 -2.2654 -2.2654 1.2889 1.2889 1.2974 1.2974 2.3896 2.3896 2.4101 2.4101 2.6319 2.6319 2.6556 2.6556 2.9371 2.9371 2.9463 2.9463 3.6270 3.6270 3.6444 3.6444 6.0366 6.0366 6.0454 6.0454 7.4918 7.4918 k = 0.4643 0.1143 2.0373 ( 22755 PWs) bands (ev): -40.7995 -40.7995 -40.7995 -40.7995 -40.7984 -40.7984 -40.7983 -40.7983 -40.5753 -40.5753 -40.5753 -40.5753 -3.0682 -3.0682 -3.0480 -3.0480 -2.5127 -2.5127 -2.5034 -2.5034 -2.2920 -2.2920 -2.2720 -2.2720 1.2904 1.2904 1.2963 1.2963 2.3905 2.3905 2.4042 2.4042 2.6409 2.6409 2.6560 2.6560 2.9376 2.9376 2.9476 2.9476 3.6318 3.6318 3.6416 3.6416 6.0368 6.0368 6.0423 6.0423 7.5124 7.5124 k = 0.5000 0.1231 2.0283 ( 22742 PWs) bands (ev): -40.7996 -40.7996 -40.7996 -40.7996 -40.7983 -40.7983 -40.7983 -40.7983 -40.5753 -40.5753 -40.5753 -40.5753 -3.0681 -3.0681 -3.0663 -3.0663 -2.5006 -2.5006 -2.4990 -2.4990 -2.2826 -2.2826 -2.2813 -2.2813 1.2913 1.2913 1.2959 1.2959 2.3901 2.3901 2.4008 2.4008 2.6492 2.6492 2.6527 2.6527 2.9405 2.9405 2.9518 2.9518 3.6350 3.6350 3.6391 3.6391 6.0391 6.0391 6.0399 6.0399 7.5283 7.5283 k = 0.5000 0.1231 2.0283 ( 22742 PWs) bands (ev): -40.7996 -40.7996 -40.7996 -40.7996 -40.7983 -40.7983 -40.7983 -40.7983 -40.5753 -40.5753 -40.5753 -40.5753 -3.0681 -3.0681 -3.0663 -3.0663 -2.5006 -2.5006 -2.4990 -2.4990 -2.2826 -2.2826 -2.2813 -2.2813 1.2913 1.2913 1.2959 1.2959 2.3901 2.3901 2.4008 2.4008 2.6492 2.6492 2.6527 2.6527 2.9405 2.9405 2.9518 2.9518 3.6350 3.6350 3.6391 3.6391 6.0391 6.0391 6.0399 6.0399 7.5283 7.5283 k = 0.5000 0.1231 1.9907 ( 22768 PWs) bands (ev): -40.7999 -40.7999 -40.7999 -40.7999 -40.7979 -40.7979 -40.7979 -40.7979 -40.5753 -40.5753 -40.5753 -40.5753 -3.1153 -3.1153 -3.1127 -3.1127 -2.4604 -2.4604 -2.4584 -2.4584 -2.2812 -2.2812 -2.2792 -2.2792 1.2913 1.2913 1.2986 1.2986 2.3800 2.3800 2.3958 2.3958 2.6553 2.6553 2.6608 2.6608 2.9637 2.9637 2.9806 2.9806 3.6341 3.6341 3.6404 3.6404 6.0432 6.0432 6.0444 6.0444 7.5378 7.5378 k = 0.5000 0.1231 1.9531 ( 22770 PWs) bands (ev): -40.8003 -40.8003 -40.8003 -40.8003 -40.7975 -40.7975 -40.7975 -40.7975 -40.5753 -40.5753 -40.5753 -40.5753 -3.1737 -3.1737 -3.1707 -3.1707 -2.4167 -2.4167 -2.4151 -2.4151 -2.2732 -2.2732 -2.2710 -2.2710 1.2921 1.2921 1.3020 1.3020 2.3684 2.3684 2.3883 2.3883 2.6654 2.6654 2.6725 2.6725 2.9967 2.9967 3.0181 3.0181 3.6338 3.6338 3.6422 3.6422 6.0494 6.0494 6.0511 6.0511 7.5524 7.5524 k = 0.5000 0.1231 1.9156 ( 22762 PWs) bands (ev): -40.8007 -40.8007 -40.8007 -40.8007 -40.7971 -40.7971 -40.7971 -40.7971 -40.5753 -40.5753 -40.5753 -40.5753 -3.2389 -3.2389 -3.2357 -3.2357 -2.3836 -2.3836 -2.3833 -2.3833 -2.2489 -2.2489 -2.2474 -2.2474 1.2938 1.2938 1.3062 1.3062 2.3565 2.3565 2.3793 2.3793 2.6798 2.6798 2.6881 2.6881 3.0373 3.0373 3.0621 3.0621 3.6349 3.6349 3.6450 3.6450 6.0580 6.0580 6.0600 6.0600 7.5718 7.5718 k = 0.5000 0.1231 1.8780 ( 22756 PWs) bands (ev): -40.8011 -40.8011 -40.8011 -40.8011 -40.7967 -40.7967 -40.7967 -40.7967 -40.5753 -40.5753 -40.5753 -40.5753 -3.3082 -3.3082 -3.3049 -3.3049 -2.3718 -2.3718 -2.3702 -2.3702 -2.2022 -2.2022 -2.2018 -2.2018 1.2965 1.2965 1.3113 1.3113 2.3455 2.3455 2.3702 2.3702 2.6983 2.6983 2.7072 2.7072 3.0834 3.0834 3.1107 3.1107 3.6384 3.6384 3.6496 3.6496 6.0692 6.0692 6.0714 6.0714 7.5957 7.5957 k = 0.5000 0.1231 1.8405 ( 22760 PWs) bands (ev): -40.8015 -40.8015 -40.8015 -40.8015 -40.7964 -40.7964 -40.7964 -40.7964 -40.5753 -40.5753 -40.5753 -40.5753 -3.3800 -3.3800 -3.3765 -3.3765 -2.3745 -2.3745 -2.3714 -2.3714 -2.1410 -2.1410 -2.1407 -2.1407 1.3005 1.3005 1.3175 1.3175 2.3361 2.3361 2.3620 2.3620 2.7202 2.7202 2.7292 2.7292 3.1332 3.1332 3.1619 3.1619 3.6455 3.6455 3.6571 3.6571 6.0832 6.0832 6.0856 6.0856 7.6240 7.6240 k = 0.5000 0.1231 1.8029 ( 22764 PWs) bands (ev): -40.8019 -40.8019 -40.8019 -40.8019 -40.7960 -40.7960 -40.7960 -40.7960 -40.5753 -40.5753 -40.5753 -40.5753 -3.4532 -3.4532 -3.4496 -3.4496 -2.3845 -2.3845 -2.3805 -2.3805 -2.0728 -2.0728 -2.0724 -2.0724 1.3059 1.3059 1.3250 1.3250 2.3289 2.3289 2.3556 2.3556 2.7450 2.7450 2.7535 2.7535 3.1849 3.1849 3.2139 3.2139 3.6581 3.6581 3.6689 3.6689 6.1003 6.1003 6.1029 6.1029 7.6562 7.6562 k = 0.5000 0.1231 1.7653 ( 22766 PWs) bands (ev): -40.8022 -40.8022 -40.8022 -40.8022 -40.7956 -40.7956 -40.7956 -40.7956 -40.5753 -40.5753 -40.5753 -40.5753 -3.5271 -3.5271 -3.5235 -3.5235 -2.3988 -2.3988 -2.3940 -2.3940 -2.0011 -2.0011 -2.0008 -2.0008 1.3129 1.3129 1.3339 1.3339 2.3245 2.3245 2.3515 2.3515 2.7718 2.7718 2.7791 2.7791 3.2366 3.2366 3.2649 3.2649 3.6780 3.6780 3.6868 3.6868 6.1208 6.1208 6.1235 6.1235 7.6920 7.6920 k = 0.5000 0.1231 1.7278 ( 22778 PWs) bands (ev): -40.8026 -40.8026 -40.8026 -40.8026 -40.7953 -40.7953 -40.7953 -40.7953 -40.5753 -40.5753 -40.5753 -40.5753 -3.6012 -3.6012 -3.5977 -3.5977 -2.4161 -2.4161 -2.4107 -2.4107 -1.9277 -1.9277 -1.9275 -1.9275 1.3216 1.3216 1.3444 1.3444 2.3232 2.3232 2.3502 2.3502 2.7993 2.7993 2.8048 2.8048 3.2868 3.2868 3.3134 3.3134 3.7074 3.7074 3.7126 3.7126 6.1450 6.1450 6.1477 6.1477 7.7309 7.7309 k = 0.5000 0.1231 1.6902 ( 22770 PWs) bands (ev): -40.8030 -40.8030 -40.8030 -40.8030 -40.7949 -40.7949 -40.7949 -40.7949 -40.5753 -40.5753 -40.5753 -40.5753 -3.6753 -3.6753 -3.6717 -3.6717 -2.4359 -2.4359 -2.4299 -2.4299 -1.8535 -1.8535 -1.8535 -1.8535 1.3323 1.3323 1.3567 1.3567 2.3251 2.3251 2.3520 2.3520 2.8265 2.8265 2.8292 2.8292 3.3347 3.3347 3.3588 3.3588 3.7474 3.7474 3.7478 3.7478 6.1731 6.1731 6.1758 6.1758 7.7723 7.7723 k = 0.5000 0.1231 1.6527 ( 22792 PWs) bands (ev): -40.8034 -40.8034 -40.8034 -40.8034 -40.7946 -40.7946 -40.7946 -40.7946 -40.5753 -40.5753 -40.5753 -40.5753 -3.7491 -3.7491 -3.7455 -3.7455 -2.4576 -2.4576 -2.4511 -2.4511 -1.7793 -1.7793 -1.7788 -1.7788 1.3452 1.3452 1.3709 1.3709 2.3304 2.3304 2.3571 2.3571 2.8510 2.8510 2.8518 2.8518 3.3803 3.3803 3.4020 3.4020 3.7932 3.7932 3.7983 3.7983 6.2055 6.2055 6.2081 6.2081 7.8157 7.8157 k = 0.5000 0.1231 1.6151 ( 22782 PWs) bands (ev): -40.8038 -40.8038 -40.8038 -40.8038 -40.7942 -40.7942 -40.7942 -40.7942 -40.5753 -40.5753 -40.5753 -40.5753 -3.8223 -3.8223 -3.8188 -3.8188 -2.4811 -2.4811 -2.4743 -2.4743 -1.7051 -1.7051 -1.7042 -1.7042 1.3604 1.3604 1.3874 1.3874 2.3392 2.3392 2.3655 2.3655 2.8688 2.8688 2.8739 2.8739 3.4251 3.4251 3.4450 3.4450 3.8483 3.8483 3.8590 3.8590 6.2423 6.2423 6.2448 6.2448 7.8602 7.8602 k = 0.5000 0.1231 1.5775 ( 22758 PWs) bands (ev): -40.8041 -40.8041 -40.8041 -40.8041 -40.7939 -40.7939 -40.7939 -40.7939 -40.5753 -40.5753 -40.5753 -40.5753 -3.8948 -3.8948 -3.8913 -3.8913 -2.5063 -2.5063 -2.4991 -2.4991 -1.6311 -1.6311 -1.6298 -1.6298 1.3781 1.3781 1.4061 1.4061 2.3513 2.3513 2.3773 2.3773 2.8816 2.8816 2.8915 2.8915 3.4709 3.4709 3.4901 3.4901 3.9120 3.9120 3.9277 3.9277 6.2838 6.2838 6.2862 6.2862 7.9049 7.9049 k = 0.5000 0.1231 1.5400 ( 22760 PWs) bands (ev): -40.8045 -40.8045 -40.8045 -40.8045 -40.7935 -40.7935 -40.7935 -40.7935 -40.5754 -40.5754 -40.5753 -40.5753 -3.9665 -3.9665 -3.9631 -3.9631 -2.5328 -2.5328 -2.5253 -2.5253 -1.5576 -1.5576 -1.5558 -1.5558 1.3984 1.3984 1.4272 1.4272 2.3669 2.3669 2.3925 2.3925 2.8889 2.8889 2.9039 2.9039 3.5198 3.5198 3.5393 3.5393 3.9828 3.9828 4.0028 4.0028 6.3303 6.3303 6.3326 6.3326 7.9488 7.9488 k = 0.5000 0.1231 1.5024 ( 22780 PWs) bands (ev): -40.8049 -40.8049 -40.8049 -40.8049 -40.7932 -40.7932 -40.7932 -40.7932 -40.5754 -40.5754 -40.5754 -40.5754 -4.0372 -4.0372 -4.0339 -4.0339 -2.5606 -2.5606 -2.5530 -2.5530 -1.4847 -1.4847 -1.4823 -1.4823 1.4213 1.4213 1.4510 1.4510 2.3859 2.3859 2.4111 2.4111 2.8905 2.8905 2.9108 2.9108 3.5734 3.5734 3.5939 3.5939 4.0590 4.0590 4.0826 4.0826 6.3818 6.3818 6.3840 6.3840 7.9905 7.9905 k = 0.5000 0.1231 1.4649 ( 22782 PWs) bands (ev): -40.8052 -40.8052 -40.8052 -40.8052 -40.7929 -40.7929 -40.7929 -40.7929 -40.5754 -40.5754 -40.5754 -40.5754 -4.1069 -4.1069 -4.1036 -4.1036 -2.5896 -2.5896 -2.5817 -2.5817 -1.4124 -1.4124 -1.4094 -1.4094 1.4471 1.4471 1.4773 1.4773 2.4081 2.4081 2.4329 2.4329 2.8870 2.8870 2.9123 2.9123 3.6325 3.6325 3.6542 3.6542 4.1393 4.1393 4.1660 4.1660 6.4386 6.4386 6.4407 6.4407 8.0283 8.0283 k = 0.5000 0.1231 1.4273 ( 22782 PWs) bands (ev): -40.8056 -40.8056 -40.8056 -40.8056 -40.7925 -40.7925 -40.7925 -40.7925 -40.5754 -40.5754 -40.5754 -40.5754 -4.1755 -4.1755 -4.1723 -4.1723 -2.6195 -2.6195 -2.6116 -2.6116 -1.3408 -1.3408 -1.3372 -1.3372 1.4757 1.4757 1.5064 1.5064 2.4335 2.4335 2.4579 2.4579 2.8791 2.8791 2.9090 2.9090 3.6973 3.6973 3.7204 3.7204 4.2228 4.2228 4.2521 4.2521 6.5009 6.5009 6.5027 6.5027 8.0604 8.0604 k = 0.5000 0.1231 1.3897 ( 22780 PWs) bands (ev): -40.8059 -40.8059 -40.8059 -40.8059 -40.7922 -40.7922 -40.7922 -40.7922 -40.5754 -40.5754 -40.5754 -40.5754 -4.2429 -4.2429 -4.2397 -4.2397 -2.6503 -2.6503 -2.6423 -2.6423 -1.2700 -1.2700 -1.2658 -1.2658 1.5072 1.5072 1.5383 1.5383 2.4620 2.4620 2.4859 2.4859 2.8677 2.8677 2.9019 2.9019 3.7675 3.7675 3.7920 3.7920 4.3085 4.3085 4.3401 4.3401 6.5687 6.5687 6.5703 6.5703 8.0847 8.0847 k = 0.5000 0.1231 1.3522 ( 22780 PWs) bands (ev): -40.8063 -40.8063 -40.8063 -40.8063 -40.7919 -40.7919 -40.7919 -40.7919 -40.5754 -40.5754 -40.5754 -40.5754 -4.3090 -4.3090 -4.3059 -4.3059 -2.6818 -2.6818 -2.6737 -2.6737 -1.2000 -1.2000 -1.1952 -1.1952 1.5417 1.5417 1.5730 1.5730 2.4934 2.4934 2.5167 2.5167 2.8537 2.8537 2.8919 2.8919 3.8427 3.8427 3.8685 3.8685 4.3959 4.3959 4.4294 4.4294 6.6421 6.6421 6.6435 6.6435 8.0994 8.0994 k = 0.5000 0.1231 1.3146 ( 22766 PWs) bands (ev): -40.8066 -40.8066 -40.8066 -40.8066 -40.7916 -40.7916 -40.7916 -40.7916 -40.5754 -40.5754 -40.5754 -40.5754 -4.3737 -4.3737 -4.3707 -4.3707 -2.7138 -2.7138 -2.7058 -2.7058 -1.1310 -1.1310 -1.1254 -1.1254 1.5792 1.5792 1.6106 1.6106 2.5274 2.5274 2.5501 2.5501 2.8380 2.8380 2.8800 2.8800 3.9223 3.9223 3.9493 3.9493 4.4844 4.4844 4.5197 4.5197 6.7211 6.7211 6.7223 6.7223 8.1030 8.1030 k = 0.5000 0.1231 1.2770 ( 22768 PWs) bands (ev): -40.8069 -40.8069 -40.8069 -40.8069 -40.7913 -40.7913 -40.7913 -40.7913 -40.5754 -40.5754 -40.5754 -40.5754 -4.4371 -4.4371 -4.4342 -4.4342 -2.7463 -2.7463 -2.7383 -2.7383 -1.0629 -1.0629 -1.0566 -1.0566 1.6196 1.6196 1.6511 1.6511 2.5637 2.5637 2.5857 2.5857 2.8217 2.8217 2.8672 2.8672 4.0059 4.0059 4.0339 4.0339 4.5737 4.5737 4.6107 4.6107 6.8059 6.8059 6.8066 6.8066 8.0945 8.0945 k = 0.5000 0.1231 1.2395 ( 22750 PWs) bands (ev): -40.8073 -40.8073 -40.8073 -40.8073 -40.7910 -40.7910 -40.7910 -40.7910 -40.5754 -40.5754 -40.5754 -40.5754 -4.4990 -4.4990 -4.4962 -4.4962 -2.7791 -2.7791 -2.7712 -2.7712 -0.9958 -0.9958 -0.9887 -0.9887 1.6630 1.6630 1.6944 1.6944 2.6015 2.6015 2.6227 2.6227 2.8060 2.8060 2.8548 2.8548 4.0929 4.0929 4.1218 4.1218 4.6635 4.6635 4.7019 4.7019 6.8962 6.8962 6.8964 6.8964 8.0736 8.0736 k = 0.5000 0.1231 1.2019 ( 22752 PWs) bands (ev): -40.8076 -40.8076 -40.8076 -40.8076 -40.7907 -40.7907 -40.7907 -40.7907 -40.5754 -40.5754 -40.5754 -40.5754 -4.5594 -4.5594 -4.5567 -4.5567 -2.8121 -2.8121 -2.8043 -2.8043 -0.9298 -0.9298 -0.9220 -0.9220 1.7093 1.7093 1.7406 1.7406 2.6392 2.6392 2.6597 2.6597 2.7931 2.7931 2.8449 2.8449 4.1828 4.1828 4.2125 4.2125 4.7534 4.7534 4.7933 4.7933 6.9915 6.9915 6.9921 6.9921 8.0410 8.0410 k = 0.5000 0.1231 1.1644 ( 22756 PWs) bands (ev): -40.8079 -40.8079 -40.8079 -40.8079 -40.7904 -40.7904 -40.7904 -40.7904 -40.5754 -40.5754 -40.5754 -40.5754 -4.6183 -4.6183 -4.6156 -4.6156 -2.8452 -2.8452 -2.8375 -2.8375 -0.8649 -0.8649 -0.8563 -0.8563 1.7585 1.7585 1.7896 1.7896 2.6723 2.6723 2.6935 2.6935 2.7877 2.7877 2.8410 2.8410 4.2751 4.2751 4.3056 4.3056 4.8433 4.8433 4.8845 4.8845 7.0916 7.0916 7.0932 7.0932 7.9978 7.9978 k = 0.5000 0.1231 1.1268 ( 22788 PWs) bands (ev): -40.8082 -40.8082 -40.8082 -40.8082 -40.7901 -40.7901 -40.7901 -40.7901 -40.5754 -40.5754 -40.5754 -40.5754 -4.6756 -4.6756 -4.6730 -4.6730 -2.8782 -2.8782 -2.8707 -2.8707 -0.8012 -0.8012 -0.7918 -0.7918 1.8106 1.8106 1.8414 1.8414 2.6913 2.6913 2.7179 2.7179 2.7997 2.7997 2.8496 2.8496 4.3695 4.3695 4.4007 4.4007 4.9331 4.9331 4.9756 4.9756 7.1958 7.1958 7.1991 7.1991 7.9455 7.9455 k = 0.5000 0.1231 1.0892 ( 22776 PWs) bands (ev): -40.8085 -40.8085 -40.8085 -40.8085 -40.7899 -40.7899 -40.7899 -40.7899 -40.5754 -40.5754 -40.5754 -40.5754 -4.7313 -4.7313 -4.7288 -4.7288 -2.9111 -2.9111 -2.9037 -2.9037 -0.7387 -0.7387 -0.7285 -0.7285 1.8655 1.8655 1.8960 1.8960 2.6928 2.6928 2.7282 2.7282 2.8328 2.8328 2.8758 2.8758 4.4657 4.4657 4.4975 4.4975 5.0224 5.0224 5.0662 5.0662 7.3029 7.3029 7.3090 7.3090 7.8866 7.8866 k = 0.5000 0.1231 1.0517 ( 22758 PWs) bands (ev): -40.8088 -40.8088 -40.8088 -40.8088 -40.7896 -40.7896 -40.7896 -40.7896 -40.5754 -40.5754 -40.5754 -40.5754 -4.7854 -4.7854 -4.7829 -4.7829 -2.9437 -2.9437 -2.9365 -2.9365 -0.6776 -0.6776 -0.6666 -0.6666 1.9231 1.9231 1.9532 1.9532 2.6853 2.6853 2.7277 2.7277 2.8786 2.8786 2.9165 2.9165 4.5631 4.5631 4.5957 4.5957 5.1113 5.1113 5.1563 5.1563 7.4090 7.4090 7.4207 7.4207 7.8260 7.8260 k = 0.5000 0.1231 1.0141 ( 22774 PWs) bands (ev): -40.8091 -40.8091 -40.8091 -40.8091 -40.7894 -40.7894 -40.7894 -40.7894 -40.5754 -40.5754 -40.5754 -40.5754 -4.8377 -4.8377 -4.8354 -4.8354 -2.9760 -2.9760 -2.9690 -2.9690 -0.6179 -0.6179 -0.6061 -0.6061 1.9834 1.9834 2.0130 2.0130 2.6755 2.6755 2.7224 2.7224 2.9310 2.9310 2.9659 2.9659 4.6616 4.6616 4.6949 4.6949 5.1995 5.1995 5.2457 5.2457 7.5012 7.5012 7.5265 7.5265 7.7773 7.7773 k = 0.5000 0.1231 0.9766 ( 22770 PWs) bands (ev): -40.8094 -40.8094 -40.8094 -40.8094 -40.7891 -40.7891 -40.7891 -40.7891 -40.5754 -40.5754 -40.5754 -40.5754 -4.8884 -4.8884 -4.8861 -4.8861 -3.0077 -3.0077 -3.0009 -3.0009 -0.5596 -0.5596 -0.5471 -0.5471 2.0463 2.0463 2.0755 2.0755 2.6658 2.6658 2.7160 2.7160 2.9873 2.9873 3.0205 3.0205 4.7608 4.7608 4.7949 4.7949 5.2867 5.2867 5.3343 5.3343 7.5372 7.5372 7.5864 7.5864 7.7749 7.7749 k = 0.5000 0.1231 0.9390 ( 22778 PWs) bands (ev): -40.8096 -40.8096 -40.8096 -40.8096 -40.7889 -40.7889 -40.7889 -40.7889 -40.5754 -40.5754 -40.5754 -40.5754 -4.9373 -4.9373 -4.9351 -4.9351 -3.0390 -3.0390 -3.0324 -3.0324 -0.5030 -0.5030 -0.4897 -0.4897 2.1118 2.1118 2.1403 2.1403 2.6576 2.6576 2.7103 2.7103 3.0466 3.0466 3.0789 3.0789 4.8603 4.8603 4.8953 4.8953 5.3728 5.3728 5.4216 5.4216 7.4957 7.4957 7.5466 7.5466 7.8534 7.8534 k = 0.5000 0.1231 0.9014 ( 22792 PWs) bands (ev): -40.8099 -40.8099 -40.8099 -40.8099 -40.7887 -40.7887 -40.7887 -40.7887 -40.5754 -40.5754 -40.5754 -40.5754 -4.9844 -4.9844 -4.9824 -4.9824 -3.0696 -3.0696 -3.0632 -3.0632 -0.4480 -0.4480 -0.4340 -0.4340 2.1797 2.1797 2.2076 2.2076 2.6513 2.6513 2.7060 2.7060 3.1084 3.1084 3.1401 3.1401 4.9600 4.9600 4.9960 4.9960 5.4572 5.4572 5.5074 5.5074 7.4218 7.4218 7.4665 7.4665 7.9716 7.9716 k = 0.5000 0.1231 0.8639 ( 22792 PWs) bands (ev): -40.8102 -40.8102 -40.8102 -40.8102 -40.7884 -40.7884 -40.7884 -40.7884 -40.5754 -40.5754 -40.5754 -40.5754 -5.0298 -5.0298 -5.0278 -5.0278 -3.0994 -3.0994 -3.0933 -3.0933 -0.3949 -0.3949 -0.3802 -0.3802 2.2499 2.2499 2.2772 2.2772 2.6475 2.6475 2.7038 2.7038 3.1723 3.1723 3.2037 3.2037 5.0594 5.0594 5.0967 5.0967 5.5394 5.5394 5.5910 5.5910 7.3380 7.3380 7.3770 7.3770 8.0981 8.0981 k = 0.5000 0.1231 0.8263 ( 22792 PWs) bands (ev): -40.8104 -40.8104 -40.8104 -40.8104 -40.7882 -40.7882 -40.7882 -40.7882 -40.5754 -40.5754 -40.5754 -40.5754 -5.0733 -5.0733 -5.0715 -5.0715 -3.1285 -3.1285 -3.1227 -3.1227 -0.3436 -0.3436 -0.3284 -0.3284 2.3223 2.3223 2.3489 2.3489 2.6465 2.6465 2.7041 2.7041 3.2381 3.2381 3.2695 3.2695 5.1581 5.1581 5.1969 5.1969 5.6187 5.6187 5.6716 5.6716 7.2516 7.2516 7.2854 7.2854 8.2232 8.2232 k = 0.5000 0.1231 0.7888 ( 22796 PWs) bands (ev): -40.8106 -40.8106 -40.8106 -40.8106 -40.7880 -40.7880 -40.7880 -40.7880 -40.5755 -40.5755 -40.5754 -40.5754 -5.1151 -5.1151 -5.1133 -5.1133 -3.1567 -3.1567 -3.1511 -3.1511 -0.2943 -0.2943 -0.2786 -0.2786 2.3969 2.3969 2.4226 2.4226 2.6484 2.6484 2.7071 2.7071 3.3057 3.3057 3.3371 3.3371 5.2556 5.2556 5.2965 5.2965 5.6939 5.6939 5.7480 5.7480 7.1665 7.1665 7.1953 7.1953 8.3356 8.3356 k = 0.5000 0.1231 0.7512 ( 22802 PWs) bands (ev): -40.8109 -40.8109 -40.8109 -40.8109 -40.7878 -40.7878 -40.7878 -40.7878 -40.5755 -40.5755 -40.5755 -40.5755 -5.1550 -5.1550 -5.1532 -5.1532 -3.1840 -3.1840 -3.1787 -3.1787 -0.2471 -0.2471 -0.2311 -0.2311 2.4733 2.4733 2.4982 2.4982 2.6535 2.6535 2.7132 2.7132 3.3747 3.3747 3.4063 3.4063 5.3511 5.3511 5.3948 5.3948 5.7636 5.7636 5.8184 5.8184 7.0859 7.0859 7.1098 7.1098 8.4102 8.4102 k = 0.5000 0.1231 0.7136 ( 22804 PWs) bands (ev): -40.8111 -40.8111 -40.8111 -40.8111 -40.7876 -40.7876 -40.7876 -40.7876 -40.5755 -40.5755 -40.5755 -40.5755 -5.1930 -5.1930 -5.1914 -5.1914 -3.2103 -3.2103 -3.2052 -3.2052 -0.2021 -0.2021 -0.1858 -0.1858 2.5514 2.5514 2.5753 2.5753 2.6622 2.6622 2.7225 2.7225 3.4451 3.4451 3.4768 3.4768 5.4434 5.4434 5.4911 5.4911 5.8259 5.8259 5.8805 5.8805 7.0138 7.0138 7.0328 7.0328 8.4182 8.4182 k = 0.5000 0.1231 0.6761 ( 22816 PWs) bands (ev): -40.8113 -40.8113 -40.8113 -40.8113 -40.7875 -40.7875 -40.7875 -40.7875 -40.5755 -40.5755 -40.5755 -40.5755 -5.2291 -5.2291 -5.2276 -5.2276 -3.2355 -3.2355 -3.2307 -3.2307 -0.1594 -0.1594 -0.1429 -0.1429 2.6299 2.6299 2.6530 2.6530 2.6755 2.6755 2.7360 2.7360 3.5165 3.5165 3.5486 3.5486 5.5302 5.5302 5.5840 5.5840 5.8793 5.8793 5.9315 5.9315 6.9543 6.9543 6.9688 6.9688 8.3531 8.3531 k = 0.5000 0.1231 0.6385 ( 22816 PWs) bands (ev): -40.8115 -40.8115 -40.8115 -40.8115 -40.7873 -40.7873 -40.7873 -40.7873 -40.5755 -40.5755 -40.5755 -40.5755 -5.2634 -5.2634 -5.2620 -5.2620 -3.2597 -3.2597 -3.2551 -3.2551 -0.1190 -0.1190 -0.1025 -0.1025 2.6834 2.6834 2.7187 2.7187 2.7246 2.7246 2.7602 2.7602 3.5887 3.5887 3.6213 3.6213 5.6073 5.6073 5.6701 5.6701 5.9237 5.9237 5.9696 5.9696 6.9121 6.9121 6.9231 6.9231 8.2450 8.2450 k = 0.5000 0.1231 0.6010 ( 22818 PWs) bands (ev): -40.8117 -40.8117 -40.8117 -40.8117 -40.7871 -40.7871 -40.7871 -40.7871 -40.5755 -40.5755 -40.5755 -40.5755 -5.2958 -5.2958 -5.2944 -5.2944 -3.2827 -3.2827 -3.2784 -3.2784 -0.0811 -0.0811 -0.0646 -0.0646 2.7043 2.7043 2.7603 2.7603 2.7992 2.7992 2.8248 2.8248 3.6615 3.6615 3.6947 3.6947 5.6663 5.6663 5.7423 5.7423 5.9635 5.9635 5.9977 5.9977 6.8911 6.8911 6.9001 6.9001 8.1189 8.1189 k = 0.5000 0.1231 0.5634 ( 22826 PWs) bands (ev): -40.8119 -40.8119 -40.8119 -40.8119 -40.7870 -40.7870 -40.7870 -40.7870 -40.5755 -40.5755 -40.5755 -40.5755 -5.3262 -5.3262 -5.3250 -5.3250 -3.3045 -3.3045 -3.3005 -3.3005 -0.0456 -0.0456 -0.0293 -0.0293 2.7263 2.7263 2.7837 2.7837 2.8830 2.8830 2.9056 2.9056 3.7347 3.7347 3.7685 3.7685 5.6957 5.6957 5.7847 5.7847 6.0086 6.0086 6.0295 6.0295 6.8929 6.8929 6.9018 6.9018 7.9871 7.9871 k = 0.5000 0.1231 0.5258 ( 22832 PWs) bands (ev): -40.8120 -40.8120 -40.8120 -40.8120 -40.7868 -40.7868 -40.7868 -40.7868 -40.5755 -40.5755 -40.5755 -40.5755 -5.3548 -5.3548 -5.3536 -5.3536 -3.3250 -3.3250 -3.3213 -3.3213 -0.0126 -0.0126 0.0033 0.0033 2.7510 2.7510 2.8081 2.8081 2.9680 2.9680 2.9890 2.9890 3.8079 3.8079 3.8424 3.8424 5.6890 5.6890 5.7823 5.7823 6.0668 6.0668 6.0817 6.0817 6.9160 6.9160 6.9260 6.9260 7.8555 7.8555 k = 0.5000 0.1231 0.4883 ( 22826 PWs) bands (ev): -40.8122 -40.8122 -40.8122 -40.8122 -40.7867 -40.7867 -40.7867 -40.7867 -40.5755 -40.5755 -40.5755 -40.5755 -5.3814 -5.3814 -5.3803 -5.3803 -3.3443 -3.3443 -3.3408 -3.3408 0.0179 0.0179 0.0333 0.0333 2.7784 2.7784 2.8347 2.8347 3.0538 3.0538 3.0733 3.0733 3.8808 3.8808 3.9161 3.9161 5.6512 5.6512 5.7414 5.7414 6.1363 6.1363 6.1521 6.1521 6.9561 6.9561 6.9676 6.9676 7.7276 7.7276 k = 0.5000 0.1231 0.4507 ( 22822 PWs) bands (ev): -40.8123 -40.8123 -40.8123 -40.8123 -40.7866 -40.7866 -40.7866 -40.7866 -40.5755 -40.5755 -40.5755 -40.5755 -5.4060 -5.4060 -5.4050 -5.4050 -3.3623 -3.3623 -3.3591 -3.3591 0.0459 0.0459 0.0607 0.0607 2.8084 2.8084 2.8633 2.8633 3.1399 3.1399 3.1580 3.1580 3.9530 3.9530 3.9893 3.9893 5.5919 5.5919 5.6770 5.6770 6.2113 6.2113 6.2304 6.2304 7.0079 7.0079 7.0199 7.0199 7.6069 7.6069 k = 0.5000 0.1231 0.4132 ( 22806 PWs) bands (ev): -40.8125 -40.8125 -40.8125 -40.8125 -40.7865 -40.7865 -40.7865 -40.7865 -40.5755 -40.5755 -40.5755 -40.5755 -5.4287 -5.4287 -5.4278 -5.4278 -3.3790 -3.3790 -3.3760 -3.3760 0.0714 0.0714 0.0855 0.0855 2.8404 2.8404 2.8935 2.8935 3.2259 3.2259 3.2426 3.2426 4.0241 4.0241 4.0616 4.0616 5.5191 5.5191 5.5990 5.5990 6.2868 6.2868 6.3097 6.3097 7.0647 7.0647 7.0746 7.0746 7.4981 7.4981 k = 0.5000 0.1231 0.3756 ( 22836 PWs) bands (ev): -40.8126 -40.8126 -40.8126 -40.8126 -40.7864 -40.7864 -40.7864 -40.7864 -40.5755 -40.5755 -40.5755 -40.5755 -5.4495 -5.4495 -5.4486 -5.4486 -3.3942 -3.3942 -3.3915 -3.3915 0.0945 0.0945 0.1077 0.1077 2.8740 2.8740 2.9248 2.9248 3.3114 3.3114 3.3266 3.3266 4.0937 4.0937 4.1324 4.1324 5.4379 5.4379 5.5135 5.5135 6.3590 6.3590 6.3862 6.3862 7.1154 7.1154 7.1176 7.1176 7.4112 7.4112 k = 0.5000 0.1231 0.3380 ( 22806 PWs) bands (ev): -40.8127 -40.8127 -40.8127 -40.8127 -40.7863 -40.7863 -40.7863 -40.7863 -40.5755 -40.5755 -40.5755 -40.5755 -5.4683 -5.4683 -5.4675 -5.4675 -3.4081 -3.4081 -3.4057 -3.4057 0.1152 0.1152 0.1274 0.1274 2.9086 2.9086 2.9567 2.9567 3.3957 3.3957 3.4095 3.4095 4.1614 4.1614 4.2015 4.2015 5.3521 5.3521 5.4241 5.4241 6.4242 6.4242 6.4560 6.4560 7.1249 7.1249 7.1367 7.1367 7.3700 7.3700 k = 0.5000 0.1231 0.3005 ( 22798 PWs) bands (ev): -40.8128 -40.8128 -40.8128 -40.8128 -40.7862 -40.7862 -40.7862 -40.7862 -40.5755 -40.5755 -40.5755 -40.5755 -5.4851 -5.4851 -5.4844 -5.4844 -3.4206 -3.4206 -3.4184 -3.4184 0.1336 0.1336 0.1447 0.1447 2.9435 2.9435 2.9884 2.9884 3.4783 3.4783 3.4905 3.4905 4.2265 4.2265 4.2683 4.2683 5.2643 5.2643 5.3333 5.3333 6.4777 6.4777 6.5144 6.5144 7.0926 7.0926 7.1139 7.1139 7.3912 7.3912 k = 0.5000 0.1231 0.2629 ( 22786 PWs) bands (ev): -40.8129 -40.8129 -40.8129 -40.8129 -40.7861 -40.7861 -40.7861 -40.7861 -40.5755 -40.5755 -40.5755 -40.5755 -5.4999 -5.4999 -5.4993 -5.4993 -3.4316 -3.4316 -3.4297 -3.4297 0.1497 0.1497 0.1596 0.1596 2.9781 2.9781 3.0191 3.0191 3.5583 3.5583 3.5688 3.5688 4.2888 4.2888 4.3324 4.3324 5.1764 5.1764 5.2429 5.2429 6.5142 6.5142 6.5550 6.5550 7.0527 7.0527 7.0786 7.0786 7.4460 7.4460 k = 0.5000 0.1231 0.2254 ( 22782 PWs) bands (ev): -40.8129 -40.8129 -40.8129 -40.8129 -40.7861 -40.7861 -40.7861 -40.7861 -40.5755 -40.5755 -40.5755 -40.5755 -5.5128 -5.5128 -5.5123 -5.5123 -3.4412 -3.4412 -3.4396 -3.4396 0.1636 0.1636 0.1723 0.1723 3.0113 3.0113 3.0480 3.0480 3.6344 3.6344 3.6434 3.6434 4.3478 4.3478 4.3934 4.3934 5.0899 5.0899 5.1544 5.1544 6.5293 6.5293 6.5710 6.5710 7.0301 7.0301 7.0580 7.0580 7.5091 7.5091 k = 0.5000 0.1231 0.1878 ( 22780 PWs) bands (ev): -40.8130 -40.8130 -40.8130 -40.8130 -40.7860 -40.7860 -40.7860 -40.7860 -40.5755 -40.5755 -40.5755 -40.5755 -5.5237 -5.5237 -5.5233 -5.5233 -3.4493 -3.4493 -3.4479 -3.4479 0.1753 0.1753 0.1827 0.1827 3.0422 3.0422 3.0740 3.0740 3.7055 3.7055 3.7127 3.7127 4.4033 4.4033 4.4511 4.4511 5.0062 5.0062 5.0692 5.0692 6.5237 6.5237 6.5618 6.5618 7.0325 7.0325 7.0585 7.0585 7.5694 7.5694 k = 0.5000 0.1231 0.1502 ( 22780 PWs) bands (ev): -40.8131 -40.8131 -40.8131 -40.8131 -40.7860 -40.7860 -40.7860 -40.7860 -40.5755 -40.5755 -40.5755 -40.5755 -5.5326 -5.5326 -5.5323 -5.5323 -3.4559 -3.4559 -3.4548 -3.4548 0.1850 0.1850 0.1909 0.1909 3.0700 3.0700 3.0963 3.0963 3.7694 3.7694 3.7750 3.7750 4.4554 4.4554 4.5054 4.5054 4.9266 4.9266 4.9882 4.9882 6.5047 6.5047 6.5361 6.5361 7.0536 7.0536 7.0753 7.0753 7.6202 7.6202 k = 0.5000 0.1231 0.1127 ( 22806 PWs) bands (ev): -40.8131 -40.8131 -40.8131 -40.8131 -40.7859 -40.7859 -40.7859 -40.7859 -40.5755 -40.5755 -40.5755 -40.5755 -5.5395 -5.5395 -5.5393 -5.5393 -3.4610 -3.4610 -3.4602 -3.4602 0.1926 0.1926 0.1971 0.1971 3.0937 3.0937 3.1139 3.1139 3.8240 3.8240 3.8280 3.8280 4.5047 4.5047 4.5566 4.5566 4.8524 4.8524 4.9128 4.9128 6.4814 6.4814 6.5050 6.5050 7.0826 7.0826 7.0993 7.0993 7.6563 7.6563 k = 0.5000 0.1231 0.0751 ( 22810 PWs) bands (ev): -40.8131 -40.8131 -40.8131 -40.8131 -40.7859 -40.7859 -40.7859 -40.7859 -40.5755 -40.5755 -40.5755 -40.5755 -5.5444 -5.5444 -5.5443 -5.5443 -3.4647 -3.4647 -3.4641 -3.4641 0.1983 0.1983 0.2013 0.2013 3.1123 3.1123 3.1261 3.1261 3.8663 3.8663 3.8689 3.8689 4.5521 4.5521 4.6049 4.6049 4.7856 4.7856 4.8438 4.8438 6.4612 6.4612 6.4769 6.4769 7.1108 7.1108 7.1222 7.1222 7.6769 7.6769 k = 0.5000 0.1231 0.0376 ( 22816 PWs) bands (ev): -40.8132 -40.8132 -40.8132 -40.8132 -40.7859 -40.7859 -40.7859 -40.7859 -40.5755 -40.5755 -40.5755 -40.5755 -5.5474 -5.5474 -5.5473 -5.5473 -3.4668 -3.4668 -3.4665 -3.4665 0.2020 0.2020 0.2035 0.2035 3.1252 3.1252 3.1322 3.1322 3.8935 3.8935 3.8948 3.8948 4.5987 4.5987 4.6457 4.6457 4.7328 4.7328 4.7824 4.7824 6.4490 6.4490 6.4568 6.4568 7.1317 7.1317 7.1375 7.1375 7.6878 7.6878 k = 0.5000 0.1231 0.0000 ( 22784 PWs) bands (ev): -40.8132 -40.8132 -40.8132 -40.8132 -40.7859 -40.7859 -40.7859 -40.7859 -40.5755 -40.5755 -40.5755 -40.5755 -5.5483 -5.5483 -5.5483 -5.5483 -3.4674 -3.4674 -3.4674 -3.4674 0.2037 0.2037 0.2037 0.2037 3.1320 3.1320 3.1320 3.1320 3.9033 3.9033 3.9033 3.9033 4.6417 4.6417 4.6417 4.6417 4.7334 4.7334 4.7334 4.7334 6.4472 6.4472 6.4472 6.4472 7.1411 7.1411 7.1411 7.1411 7.6968 7.6968 k = 0.0000 0.0000 2.0916 ( 22766 PWs) bands (ev): -40.7989 -40.7989 -40.7989 -40.7989 -40.7989 -40.7989 -40.7989 -40.7989 -40.5753 -40.5753 -40.5753 -40.5753 -3.0321 -3.0321 -3.0321 -3.0321 -2.5317 -2.5317 -2.5317 -2.5317 -2.2822 -2.2822 -2.2822 -2.2822 1.2928 1.2928 1.2928 1.2928 2.4006 2.4006 2.4006 2.4006 2.6467 2.6467 2.6467 2.6467 2.9281 2.9281 2.9281 2.9281 3.6372 3.6372 3.6372 3.6372 6.0369 6.0369 6.0369 6.0369 7.5238 7.5238 k = 0.0357 0.0088 2.0916 ( 22740 PWs) bands (ev): -40.7989 -40.7989 -40.7989 -40.7989 -40.7989 -40.7989 -40.7989 -40.7989 -40.5753 -40.5753 -40.5753 -40.5753 -3.0323 -3.0323 -3.0319 -3.0319 -2.5328 -2.5328 -2.5307 -2.5307 -2.2832 -2.2832 -2.2812 -2.2812 1.2913 1.2913 1.2943 1.2943 2.3976 2.3976 2.4046 2.4046 2.6444 2.6444 2.6463 2.6463 2.9280 2.9280 2.9306 2.9306 3.6337 3.6337 3.6400 3.6400 6.0367 6.0367 6.0384 6.0384 7.5194 7.5201 k = 0.0714 0.0176 2.0916 ( 22740 PWs) bands (ev): -40.7989 -40.7989 -40.7989 -40.7989 -40.7989 -40.7989 -40.7989 -40.7989 -40.5753 -40.5753 -40.5753 -40.5753 -3.0325 -3.0325 -3.0317 -3.0317 -2.5338 -2.5338 -2.5296 -2.5296 -2.2841 -2.2841 -2.2803 -2.2803 1.2899 1.2899 1.2957 1.2957 2.3956 2.3956 2.4094 2.4094 2.6396 2.6396 2.6435 2.6435 2.9301 2.9301 2.9351 2.9351 3.6295 3.6295 3.6418 3.6418 6.0378 6.0378 6.0412 6.0412 7.5080 7.5080 k = 0.1071 0.0264 2.0916 ( 22758 PWs) bands (ev): -40.7989 -40.7989 -40.7989 -40.7989 -40.7989 -40.7989 -40.7989 -40.7989 -40.5753 -40.5753 -40.5753 -40.5753 -3.0326 -3.0326 -3.0316 -3.0316 -2.5347 -2.5347 -2.5287 -2.5287 -2.2850 -2.2850 -2.2794 -2.2794 1.2886 1.2886 1.2970 1.2970 2.3944 2.3944 2.4146 2.4146 2.6331 2.6331 2.6392 2.6392 2.9336 2.9336 2.9409 2.9409 3.6252 3.6252 3.6429 3.6429 6.0399 6.0399 6.0446 6.0446 7.4924 7.4924 k = 0.1429 0.0352 2.0916 ( 22760 PWs) bands (ev): -40.7989 -40.7989 -40.7989 -40.7989 -40.7989 -40.7989 -40.7989 -40.7989 -40.5753 -40.5753 -40.5753 -40.5753 -3.0328 -3.0328 -3.0314 -3.0314 -2.5355 -2.5355 -2.5279 -2.5279 -2.2857 -2.2857 -2.2787 -2.2787 1.2875 1.2875 1.2981 1.2981 2.3939 2.3939 2.4198 2.4198 2.6261 2.6261 2.6343 2.6343 2.9377 2.9377 2.9470 2.9470 3.6210 3.6210 3.6433 3.6433 6.0423 6.0423 6.0483 6.0483 7.4759 7.4759 k = 0.1786 0.0440 2.0916 ( 22780 PWs) bands (ev): -40.7989 -40.7989 -40.7989 -40.7989 -40.7989 -40.7989 -40.7989 -40.7989 -40.5753 -40.5753 -40.5753 -40.5753 -3.0329 -3.0329 -3.0313 -3.0313 -2.5360 -2.5360 -2.5274 -2.5274 -2.2862 -2.2862 -2.2782 -2.2782 1.2867 1.2867 1.2989 1.2989 2.3939 2.3939 2.4243 2.4243 2.6199 2.6199 2.6298 2.6298 2.9414 2.9414 2.9522 2.9522 3.6175 3.6175 3.6434 3.6434 6.0447 6.0447 6.0516 6.0516 7.4615 7.4615 k = 0.2143 0.0528 2.0916 ( 22798 PWs) bands (ev): -40.7989 -40.7989 -40.7989 -40.7989 -40.7989 -40.7989 -40.7989 -40.7989 -40.5753 -40.5753 -40.5753 -40.5753 -3.0329 -3.0329 -3.0312 -3.0312 -2.5364 -2.5364 -2.5270 -2.5270 -2.2865 -2.2865 -2.2779 -2.2779 1.2862 1.2862 1.2994 1.2994 2.3940 2.3940 2.4274 2.4274 2.6155 2.6155 2.6268 2.6268 2.9440 2.9440 2.9558 2.9558 3.6153 3.6153 3.6433 3.6433 6.0463 6.0463 6.0538 6.0538 7.4519 7.4519 k = 0.2500 0.0615 2.0916 ( 22792 PWs) bands (ev): -40.7989 -40.7989 -40.7989 -40.7989 -40.7989 -40.7989 -40.7989 -40.7989 -40.5753 -40.5753 -40.5753 -40.5753 -3.0330 -3.0330 -3.0312 -3.0312 -2.5365 -2.5365 -2.5269 -2.5269 -2.2866 -2.2866 -2.2778 -2.2778 1.2860 1.2860 1.2995 1.2995 2.3941 2.3941 2.4285 2.4285 2.6139 2.6139 2.6257 2.6257 2.9449 2.9449 2.9570 2.9570 3.6144 3.6144 3.6432 3.6432 6.0469 6.0469 6.0546 6.0546 7.4485 7.4485 Writing output data file LiGe.save init_run : 1.18s CPU 0.78s WALL ( 1 calls) electrons : 2097.53s CPU 1641.44s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.54s CPU 0.36s WALL ( 1 calls) Called by electrons: c_bands : 2097.52s CPU 1641.43s WALL ( 1 calls) v_of_rho : 0.15s CPU 0.08s WALL ( 1 calls) v_h : 0.02s CPU 0.01s WALL ( 1 calls) v_xc : 0.13s CPU 0.08s WALL ( 1 calls) newd : 0.09s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.58s CPU 0.64s WALL ( 312 calls) cegterg : 1649.12s CPU 1331.00s WALL ( 415 calls) Called by sum_band: Called by *egterg: h_psi : 1915.93s CPU 1458.26s WALL ( 6408 calls) s_psi : 7.11s CPU 7.10s WALL ( 6408 calls) g_psi : 0.54s CPU 0.53s WALL ( 5681 calls) cdiaghg : 114.68s CPU 114.58s WALL ( 5993 calls) cegterg:over : 19.70s CPU 19.43s WALL ( 5681 calls) cegterg:upda : 13.92s CPU 14.73s WALL ( 5681 calls) cegterg:last : 7.74s CPU 7.78s WALL ( 1044 calls) cdiaghg:chol : 4.40s CPU 4.46s WALL ( 5993 calls) cdiaghg:inve : 2.24s CPU 2.37s WALL ( 5993 calls) cdiaghg:para : 7.14s CPU 7.42s WALL ( 11986 calls) Called by h_psi: h_psi:vloc : 1894.14s CPU 1436.36s WALL ( 6408 calls) h_psi:vnl : 21.05s CPU 21.24s WALL ( 6408 calls) add_vuspsi : 7.63s CPU 7.86s WALL ( 6408 calls) General routines calbec : 13.37s CPU 13.36s WALL ( 6408 calls) fft : 0.22s CPU 0.12s WALL ( 15 calls) fftw : 1797.75s CPU 1342.80s WALL ( 738836 calls) davcio : 0.55s CPU 2.22s WALL ( 624 calls) Parallel routines fft_scatter : 700.42s CPU 665.10s WALL ( 738851 calls) PWSCF : 36m19.58s CPU 29m16.66s WALL This run was terminated on: 9:28: 0 22Mar2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=