Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:29:59 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CsN3.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 94 94 26 3146 3126 450 Max 95 95 27 3149 3142 453 Sum 3411 3399 937 113327 112871 16271 bravais-lattice index = 14 lattice parameter (alat) = 11.6120 a.u. unit-cell volume = 1168.0807 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.612041 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.433415 celldm(5)= -0.433415 celldm(6)= -0.133171 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.133171 0.991093 0.000000 ) a(3) = ( -0.433415 -0.495547 0.752719 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.134368 0.664259 ) b(2) = ( 0.000000 1.008987 0.664259 ) b(3) = ( 0.000000 0.000000 1.328518 ) PseudoPot. # 1 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 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 Cs read from file: /users/gautes/Pseudo/Cs.rel-pbe-oncvpsp.UPF MD5 check sum: b26d75608c6aa7e713949ad9f7a49707 Pseudo is Norm-conserving, Zval = 9.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 2414 points, 14 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 3 l(12) = 3 l(13) = 3 l(14) = 3 atomic species valence mass pseudopotential N 5.00 14.00670 N( 1.00) Cs 9.00 132.90550 Cs( 1.00) 4 Sym. Ops., with inversion, found ( 2 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 ) ( -0.5000000 ) ( 1 1 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.4334146 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.4955465 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) ( -1 -1 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.4334146 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.4955465 ) ( 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= 277 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 2) = ( 0.0000000 0.0000000 0.0195370), wk = 0.0036101 k( 3) = ( 0.0000000 0.0000000 0.0390740), wk = 0.0036101 k( 4) = ( 0.0000000 0.0000000 0.0586111), wk = 0.0036101 k( 5) = ( 0.0000000 0.0000000 0.0781481), wk = 0.0036101 k( 6) = ( 0.0000000 0.0000000 0.0976851), wk = 0.0036101 k( 7) = ( 0.0000000 0.0000000 0.1172221), wk = 0.0036101 k( 8) = ( 0.0000000 0.0000000 0.1367592), wk = 0.0036101 k( 9) = ( 0.0000000 0.0000000 0.1562962), wk = 0.0036101 k( 10) = ( 0.0000000 0.0000000 0.1758332), wk = 0.0036101 k( 11) = ( 0.0000000 0.0000000 0.1953702), wk = 0.0036101 k( 12) = ( 0.0000000 0.0000000 0.2149073), wk = 0.0036101 k( 13) = ( 0.0000000 0.0000000 0.2344443), wk = 0.0036101 k( 14) = ( 0.0000000 0.0000000 0.2539813), wk = 0.0036101 k( 15) = ( 0.0000000 0.0000000 0.2735183), wk = 0.0036101 k( 16) = ( 0.0000000 0.0000000 0.2930553), wk = 0.0036101 k( 17) = ( 0.0000000 0.0000000 0.3125924), wk = 0.0036101 k( 18) = ( 0.0000000 0.0000000 0.3321294), wk = 0.0036101 k( 19) = ( 0.0000000 0.0000000 0.3516664), wk = 0.0036101 k( 20) = ( 0.0000000 0.0000000 0.3712034), wk = 0.0036101 k( 21) = ( 0.0000000 0.0000000 0.3907405), wk = 0.0036101 k( 22) = ( 0.0000000 0.0000000 0.4102775), wk = 0.0036101 k( 23) = ( 0.0000000 0.0000000 0.4298145), wk = 0.0036101 k( 24) = ( 0.0000000 0.0000000 0.4493515), wk = 0.0036101 k( 25) = ( 0.0000000 0.0000000 0.4688885), wk = 0.0036101 k( 26) = ( 0.0000000 0.0000000 0.4884256), wk = 0.0036101 k( 27) = ( 0.0000000 0.0000000 0.5079626), wk = 0.0036101 k( 28) = ( 0.0000000 0.0000000 0.5274996), wk = 0.0036101 k( 29) = ( 0.0000000 0.0000000 0.5470366), wk = 0.0036101 k( 30) = ( 0.0000000 0.0000000 0.5665737), wk = 0.0036101 k( 31) = ( 0.0000000 0.0000000 0.5861107), wk = 0.0036101 k( 32) = ( 0.0000000 0.0000000 0.6056477), wk = 0.0036101 k( 33) = ( 0.0000000 0.0000000 0.6251847), wk = 0.0036101 k( 34) = ( 0.0000000 0.0000000 0.6447218), wk = 0.0036101 k( 35) = ( 0.0000000 0.0000000 0.6642588), wk = 0.0036101 k( 36) = ( 0.0000000 0.0000000 0.6642588), wk = 0.0036101 k( 37) = ( -0.0142094 0.0124278 0.6642588), wk = 0.0036101 k( 38) = ( -0.0284187 0.0248555 0.6642588), wk = 0.0036101 k( 39) = ( -0.0426280 0.0372833 0.6642588), wk = 0.0036101 k( 40) = ( -0.0568374 0.0497111 0.6642588), wk = 0.0036101 k( 41) = ( -0.0710467 0.0621388 0.6642588), wk = 0.0036101 k( 42) = ( -0.0852561 0.0745666 0.6642588), wk = 0.0036101 k( 43) = ( -0.0994654 0.0869944 0.6642588), wk = 0.0036101 k( 44) = ( -0.1136748 0.0994221 0.6642588), wk = 0.0036101 k( 45) = ( -0.1278841 0.1118499 0.6642588), wk = 0.0036101 k( 46) = ( -0.1420935 0.1242777 0.6642588), wk = 0.0036101 k( 47) = ( -0.1563028 0.1367054 0.6642588), wk = 0.0036101 k( 48) = ( -0.1705122 0.1491332 0.6642588), wk = 0.0036101 k( 49) = ( -0.1847215 0.1615610 0.6642588), wk = 0.0036101 k( 50) = ( -0.1989308 0.1739888 0.6642588), wk = 0.0036101 k( 51) = ( -0.2131402 0.1864165 0.6642588), wk = 0.0036101 k( 52) = ( -0.2273495 0.1988443 0.6642588), wk = 0.0036101 k( 53) = ( -0.2415589 0.2112721 0.6642588), wk = 0.0036101 k( 54) = ( -0.2557682 0.2236998 0.6642588), wk = 0.0036101 k( 55) = ( -0.2699776 0.2361276 0.6642588), wk = 0.0036101 k( 56) = ( -0.2841869 0.2485554 0.6642588), wk = 0.0036101 k( 57) = ( -0.2983963 0.2609831 0.6642588), wk = 0.0036101 k( 58) = ( -0.3126056 0.2734109 0.6642588), wk = 0.0036101 k( 59) = ( -0.3268150 0.2858387 0.6642588), wk = 0.0036101 k( 60) = ( -0.3268150 0.2858387 0.6642588), wk = 0.0036101 k( 61) = ( -0.3364363 0.2942537 0.6514766), wk = 0.0036101 k( 62) = ( -0.3460577 0.3026688 0.6386944), wk = 0.0036101 k( 63) = ( -0.3556791 0.3110838 0.6259122), wk = 0.0036101 k( 64) = ( -0.3653005 0.3194989 0.6131300), wk = 0.0036101 k( 65) = ( -0.3749219 0.3279139 0.6003478), wk = 0.0036101 k( 66) = ( -0.3845433 0.3363290 0.5875656), wk = 0.0036101 k( 67) = ( -0.3941647 0.3447440 0.5747835), wk = 0.0036101 k( 68) = ( -0.4037861 0.3531591 0.5620013), wk = 0.0036101 k( 69) = ( -0.4134075 0.3615741 0.5492191), wk = 0.0036101 k( 70) = ( -0.4134075 0.3615741 0.5492191), wk = 0.0036101 k( 71) = ( -0.4030723 0.3525348 0.5354886), wk = 0.0036101 k( 72) = ( -0.3927371 0.3434954 0.5217581), wk = 0.0036101 k( 73) = ( -0.3824019 0.3344561 0.5080277), wk = 0.0036101 k( 74) = ( -0.3720667 0.3254167 0.4942972), wk = 0.0036101 k( 75) = ( -0.3617316 0.3163774 0.4805667), wk = 0.0036101 k( 76) = ( -0.3513964 0.3073380 0.4668362), wk = 0.0036101 k( 77) = ( -0.3410612 0.2982987 0.4531057), wk = 0.0036101 k( 78) = ( -0.3307260 0.2892593 0.4393753), wk = 0.0036101 k( 79) = ( -0.3203908 0.2802200 0.4256448), wk = 0.0036101 k( 80) = ( -0.3100556 0.2711806 0.4119143), wk = 0.0036101 k( 81) = ( -0.2997204 0.2621413 0.3981838), wk = 0.0036101 k( 82) = ( -0.2893852 0.2531019 0.3844534), wk = 0.0036101 k( 83) = ( -0.2790500 0.2440626 0.3707229), wk = 0.0036101 k( 84) = ( -0.2687149 0.2350232 0.3569924), wk = 0.0036101 k( 85) = ( -0.2583797 0.2259838 0.3432619), wk = 0.0036101 k( 86) = ( -0.2480445 0.2169445 0.3295315), wk = 0.0036101 k( 87) = ( -0.2377093 0.2079051 0.3158010), wk = 0.0036101 k( 88) = ( -0.2273741 0.1988658 0.3020705), wk = 0.0036101 k( 89) = ( -0.2170389 0.1898264 0.2883400), wk = 0.0036101 k( 90) = ( -0.2067037 0.1807871 0.2746095), wk = 0.0036101 k( 91) = ( -0.1963686 0.1717477 0.2608791), wk = 0.0036101 k( 92) = ( -0.1860334 0.1627084 0.2471486), wk = 0.0036101 k( 93) = ( -0.1756982 0.1536690 0.2334181), wk = 0.0036101 k( 94) = ( -0.1653630 0.1446297 0.2196876), wk = 0.0036101 k( 95) = ( -0.1550278 0.1355903 0.2059572), wk = 0.0036101 k( 96) = ( -0.1446926 0.1265510 0.1922267), wk = 0.0036101 k( 97) = ( -0.1343574 0.1175116 0.1784962), wk = 0.0036101 k( 98) = ( -0.1240222 0.1084722 0.1647657), wk = 0.0036101 k( 99) = ( -0.1136871 0.0994329 0.1510353), wk = 0.0036101 k( 100) = ( -0.1033519 0.0903935 0.1373048), wk = 0.0036101 k( 101) = ( -0.0930167 0.0813542 0.1235743), wk = 0.0036101 k( 102) = ( -0.0826815 0.0723148 0.1098438), wk = 0.0036101 k( 103) = ( -0.0723463 0.0632755 0.0961133), wk = 0.0036101 k( 104) = ( -0.0620111 0.0542361 0.0823829), wk = 0.0036101 k( 105) = ( -0.0516759 0.0451968 0.0686524), wk = 0.0036101 k( 106) = ( -0.0413408 0.0361574 0.0549219), wk = 0.0036101 k( 107) = ( -0.0310056 0.0271181 0.0411914), wk = 0.0036101 k( 108) = ( -0.0206704 0.0180787 0.0274609), wk = 0.0036101 k( 109) = ( -0.0103352 0.0090394 0.0137305), wk = 0.0036101 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 112) = ( 0.0128205 0.0146584 -0.0000000), wk = 0.0036101 k( 113) = ( 0.0256410 0.0293168 -0.0000000), wk = 0.0036101 k( 114) = ( 0.0384615 0.0439752 -0.0000000), wk = 0.0036101 k( 115) = ( 0.0512821 0.0586336 -0.0000000), wk = 0.0036101 k( 116) = ( 0.0641026 0.0732920 -0.0000000), wk = 0.0036101 k( 117) = ( 0.0769231 0.0879504 -0.0000000), wk = 0.0036101 k( 118) = ( 0.0897436 0.1026088 -0.0000000), wk = 0.0036101 k( 119) = ( 0.1025641 0.1172671 -0.0000000), wk = 0.0036101 k( 120) = ( 0.1153846 0.1319255 -0.0000000), wk = 0.0036101 k( 121) = ( 0.1282051 0.1465839 -0.0000000), wk = 0.0036101 k( 122) = ( 0.1410256 0.1612423 -0.0000000), wk = 0.0036101 k( 123) = ( 0.1538461 0.1759007 -0.0000000), wk = 0.0036101 k( 124) = ( 0.1666667 0.1905591 -0.0000000), wk = 0.0036101 k( 125) = ( 0.1794872 0.2052175 -0.0000000), wk = 0.0036101 k( 126) = ( 0.1923077 0.2198759 -0.0000000), wk = 0.0036101 k( 127) = ( 0.2051282 0.2345343 -0.0000000), wk = 0.0036101 k( 128) = ( 0.2179487 0.2491927 -0.0000000), wk = 0.0036101 k( 129) = ( 0.2307692 0.2638511 -0.0000000), wk = 0.0036101 k( 130) = ( 0.2435897 0.2785095 -0.0000000), wk = 0.0036101 k( 131) = ( 0.2564103 0.2931679 -0.0000000), wk = 0.0036101 k( 132) = ( 0.2692308 0.3078263 -0.0000000), wk = 0.0036101 k( 133) = ( 0.2820513 0.3224846 -0.0000000), wk = 0.0036101 k( 134) = ( 0.2948718 0.3371430 -0.0000000), wk = 0.0036101 k( 135) = ( 0.3076923 0.3518014 -0.0000000), wk = 0.0036101 k( 136) = ( 0.3205128 0.3664598 -0.0000000), wk = 0.0036101 k( 137) = ( 0.3333333 0.3811182 -0.0000000), wk = 0.0036101 k( 138) = ( 0.3461538 0.3957766 -0.0000000), wk = 0.0036101 k( 139) = ( 0.3589744 0.4104350 -0.0000000), wk = 0.0036101 k( 140) = ( 0.3717949 0.4250934 -0.0000000), wk = 0.0036101 k( 141) = ( 0.3846154 0.4397518 -0.0000000), wk = 0.0036101 k( 142) = ( 0.3974359 0.4544102 -0.0000000), wk = 0.0036101 k( 143) = ( 0.4102564 0.4690686 -0.0000000), wk = 0.0036101 k( 144) = ( 0.4230769 0.4837270 -0.0000000), wk = 0.0036101 k( 145) = ( 0.4358974 0.4983854 -0.0000000), wk = 0.0036101 k( 146) = ( 0.4487179 0.5130438 -0.0000000), wk = 0.0036101 k( 147) = ( 0.4615385 0.5277021 -0.0000000), wk = 0.0036101 k( 148) = ( 0.4743590 0.5423605 -0.0000000), wk = 0.0036101 k( 149) = ( 0.4871795 0.5570189 -0.0000000), wk = 0.0036101 k( 150) = ( 0.5000000 0.5716773 -0.0000000), wk = 0.0036101 k( 151) = ( 0.5000000 0.5716773 -0.0000000), wk = 0.0036101 k( 152) = ( 0.4903786 0.5800924 0.0127822), wk = 0.0036101 k( 153) = ( 0.4807572 0.5885074 0.0255644), wk = 0.0036101 k( 154) = ( 0.4711358 0.5969225 0.0383466), wk = 0.0036101 k( 155) = ( 0.4615144 0.6053375 0.0511287), wk = 0.0036101 k( 156) = ( 0.4518930 0.6137526 0.0639109), wk = 0.0036101 k( 157) = ( 0.4422717 0.6221676 0.0766931), wk = 0.0036101 k( 158) = ( 0.4326503 0.6305827 0.0894753), wk = 0.0036101 k( 159) = ( 0.4230289 0.6389978 0.1022575), wk = 0.0036101 k( 160) = ( 0.4134075 0.6474128 0.1150397), wk = 0.0036101 k( 161) = ( 0.4134075 0.6474128 0.1150397), wk = 0.0036101 k( 162) = ( 0.3968712 0.6416960 0.1237233), wk = 0.0036101 k( 163) = ( 0.3803349 0.6359793 0.1324069), wk = 0.0036101 k( 164) = ( 0.3637986 0.6302625 0.1410904), wk = 0.0036101 k( 165) = ( 0.3472623 0.6245457 0.1497740), wk = 0.0036101 k( 166) = ( 0.3307260 0.6188289 0.1584576), wk = 0.0036101 k( 167) = ( 0.3141897 0.6131122 0.1671412), wk = 0.0036101 k( 168) = ( 0.2976534 0.6073954 0.1758248), wk = 0.0036101 k( 169) = ( 0.2811171 0.6016786 0.1845084), wk = 0.0036101 k( 170) = ( 0.2645808 0.5959618 0.1931920), wk = 0.0036101 k( 171) = ( 0.2480445 0.5902451 0.2018756), wk = 0.0036101 k( 172) = ( 0.2315082 0.5845283 0.2105591), wk = 0.0036101 k( 173) = ( 0.2149719 0.5788115 0.2192427), wk = 0.0036101 k( 174) = ( 0.1984356 0.5730948 0.2279263), wk = 0.0036101 k( 175) = ( 0.1818993 0.5673780 0.2366099), wk = 0.0036101 k( 176) = ( 0.1653630 0.5616612 0.2452935), wk = 0.0036101 k( 177) = ( 0.1488267 0.5559444 0.2539771), wk = 0.0036101 k( 178) = ( 0.1322904 0.5502277 0.2626607), wk = 0.0036101 k( 179) = ( 0.1157541 0.5445109 0.2713443), wk = 0.0036101 k( 180) = ( 0.0992178 0.5387941 0.2800279), wk = 0.0036101 k( 181) = ( 0.0826815 0.5330773 0.2887114), wk = 0.0036101 k( 182) = ( 0.0661452 0.5273606 0.2973950), wk = 0.0036101 k( 183) = ( 0.0496089 0.5216438 0.3060786), wk = 0.0036101 k( 184) = ( 0.0330726 0.5159270 0.3147622), wk = 0.0036101 k( 185) = ( 0.0165363 0.5102103 0.3234458), wk = 0.0036101 k( 186) = ( 0.0000000 0.5044935 0.3321294), wk = 0.0036101 k( 187) = ( 0.0000000 0.5044935 0.3321294), wk = 0.0036101 k( 188) = ( 0.0100000 0.4957473 0.3454146), wk = 0.0036101 k( 189) = ( 0.0200000 0.4870011 0.3586997), wk = 0.0036101 k( 190) = ( 0.0300000 0.4782549 0.3719849), wk = 0.0036101 k( 191) = ( 0.0400000 0.4695087 0.3852701), wk = 0.0036101 k( 192) = ( 0.0500000 0.4607625 0.3985553), wk = 0.0036101 k( 193) = ( 0.0600000 0.4520163 0.4118404), wk = 0.0036101 k( 194) = ( 0.0700000 0.4432701 0.4251256), wk = 0.0036101 k( 195) = ( 0.0800000 0.4345239 0.4384108), wk = 0.0036101 k( 196) = ( 0.0900000 0.4257777 0.4516960), wk = 0.0036101 k( 197) = ( 0.1000000 0.4170316 0.4649811), wk = 0.0036101 k( 198) = ( 0.1100000 0.4082854 0.4782663), wk = 0.0036101 k( 199) = ( 0.1200000 0.3995392 0.4915515), wk = 0.0036101 k( 200) = ( 0.1300000 0.3907930 0.5048367), wk = 0.0036101 k( 201) = ( 0.1400000 0.3820468 0.5181218), wk = 0.0036101 k( 202) = ( 0.1500000 0.3733006 0.5314070), wk = 0.0036101 k( 203) = ( 0.1600000 0.3645544 0.5446922), wk = 0.0036101 k( 204) = ( 0.1700000 0.3558082 0.5579774), wk = 0.0036101 k( 205) = ( 0.1800000 0.3470620 0.5712625), wk = 0.0036101 k( 206) = ( 0.1900000 0.3383158 0.5845477), wk = 0.0036101 k( 207) = ( 0.2000000 0.3295696 0.5978329), wk = 0.0036101 k( 208) = ( 0.2100000 0.3208234 0.6111181), wk = 0.0036101 k( 209) = ( 0.2200000 0.3120772 0.6244032), wk = 0.0036101 k( 210) = ( 0.2300000 0.3033310 0.6376884), wk = 0.0036101 k( 211) = ( 0.2400000 0.2945849 0.6509736), wk = 0.0036101 k( 212) = ( 0.2500000 0.2858387 0.6642588), wk = 0.0036101 k( 213) = ( 0.2500000 0.2858387 0.6642588), wk = 0.0036101 k( 214) = ( 0.2583333 0.2953666 0.6497861), wk = 0.0036101 k( 215) = ( 0.2666667 0.3048946 0.6353135), wk = 0.0036101 k( 216) = ( 0.2750000 0.3144225 0.6208408), wk = 0.0036101 k( 217) = ( 0.2833333 0.3239505 0.6063682), wk = 0.0036101 k( 218) = ( 0.2916667 0.3334784 0.5918955), wk = 0.0036101 k( 219) = ( 0.3000000 0.3430064 0.5774229), wk = 0.0036101 k( 220) = ( 0.3083333 0.3525343 0.5629502), wk = 0.0036101 k( 221) = ( 0.3166667 0.3620623 0.5484776), wk = 0.0036101 k( 222) = ( 0.3250000 0.3715903 0.5340049), wk = 0.0036101 k( 223) = ( 0.3333333 0.3811182 0.5195323), wk = 0.0036101 k( 224) = ( 0.3416667 0.3906462 0.5050597), wk = 0.0036101 k( 225) = ( 0.3500000 0.4001741 0.4905870), wk = 0.0036101 k( 226) = ( 0.3583333 0.4097021 0.4761144), wk = 0.0036101 k( 227) = ( 0.3666667 0.4192300 0.4616417), wk = 0.0036101 k( 228) = ( 0.3750000 0.4287580 0.4471691), wk = 0.0036101 k( 229) = ( 0.3833333 0.4382859 0.4326964), wk = 0.0036101 k( 230) = ( 0.3916667 0.4478139 0.4182238), wk = 0.0036101 k( 231) = ( 0.4000000 0.4573419 0.4037511), wk = 0.0036101 k( 232) = ( 0.4083333 0.4668698 0.3892785), wk = 0.0036101 k( 233) = ( 0.4166667 0.4763978 0.3748058), wk = 0.0036101 k( 234) = ( 0.4250000 0.4859257 0.3603332), wk = 0.0036101 k( 235) = ( 0.4333333 0.4954537 0.3458605), wk = 0.0036101 k( 236) = ( 0.4416667 0.5049816 0.3313879), wk = 0.0036101 k( 237) = ( 0.4500000 0.5145096 0.3169152), wk = 0.0036101 k( 238) = ( 0.4583333 0.5240375 0.3024426), wk = 0.0036101 k( 239) = ( 0.4666667 0.5335655 0.2879700), wk = 0.0036101 k( 240) = ( 0.4750000 0.5430935 0.2734973), wk = 0.0036101 k( 241) = ( 0.4833333 0.5526214 0.2590247), wk = 0.0036101 k( 242) = ( 0.4916667 0.5621494 0.2445520), wk = 0.0036101 k( 243) = ( 0.5000000 0.5716773 0.2300794), wk = 0.0036101 k( 244) = ( 0.5000000 0.5716773 0.2300794), wk = 0.0036101 k( 245) = ( 0.5000000 0.5716773 0.2109061), wk = 0.0036101 k( 246) = ( 0.5000000 0.5716773 0.1917328), wk = 0.0036101 k( 247) = ( 0.5000000 0.5716773 0.1725595), wk = 0.0036101 k( 248) = ( 0.5000000 0.5716773 0.1533862), wk = 0.0036101 k( 249) = ( 0.5000000 0.5716773 0.1342130), wk = 0.0036101 k( 250) = ( 0.5000000 0.5716773 0.1150397), wk = 0.0036101 k( 251) = ( 0.5000000 0.5716773 0.0958664), wk = 0.0036101 k( 252) = ( 0.5000000 0.5716773 0.0766931), wk = 0.0036101 k( 253) = ( 0.5000000 0.5716773 0.0575198), wk = 0.0036101 k( 254) = ( 0.5000000 0.5716773 0.0383466), wk = 0.0036101 k( 255) = ( 0.5000000 0.5716773 0.0191733), wk = 0.0036101 k( 256) = ( 0.5000000 0.5716773 -0.0000000), wk = 0.0036101 k( 257) = ( 0.0000000 0.0000000 0.6642588), wk = 0.0036101 k( 258) = ( 0.0125000 0.0142919 0.6642588), wk = 0.0036101 k( 259) = ( 0.0250000 0.0285839 0.6642588), wk = 0.0036101 k( 260) = ( 0.0375000 0.0428758 0.6642588), wk = 0.0036101 k( 261) = ( 0.0500000 0.0571677 0.6642588), wk = 0.0036101 k( 262) = ( 0.0625000 0.0714597 0.6642588), wk = 0.0036101 k( 263) = ( 0.0750000 0.0857516 0.6642588), wk = 0.0036101 k( 264) = ( 0.0875000 0.1000435 0.6642588), wk = 0.0036101 k( 265) = ( 0.1000000 0.1143355 0.6642588), wk = 0.0036101 k( 266) = ( 0.1125000 0.1286274 0.6642588), wk = 0.0036101 k( 267) = ( 0.1250000 0.1429193 0.6642588), wk = 0.0036101 k( 268) = ( 0.1375000 0.1572113 0.6642588), wk = 0.0036101 k( 269) = ( 0.1500000 0.1715032 0.6642588), wk = 0.0036101 k( 270) = ( 0.1625000 0.1857951 0.6642588), wk = 0.0036101 k( 271) = ( 0.1750000 0.2000871 0.6642588), wk = 0.0036101 k( 272) = ( 0.1875000 0.2143790 0.6642588), wk = 0.0036101 k( 273) = ( 0.2000000 0.2286709 0.6642588), wk = 0.0036101 k( 274) = ( 0.2125000 0.2429629 0.6642588), wk = 0.0036101 k( 275) = ( 0.2250000 0.2572548 0.6642588), wk = 0.0036101 k( 276) = ( 0.2375000 0.2715467 0.6642588), wk = 0.0036101 k( 277) = ( 0.2500000 0.2858387 0.6642588), wk = 0.0036101 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 2) = ( 0.0000000 0.0000000 0.0147059), wk = 0.0036101 k( 3) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0036101 k( 4) = ( 0.0000000 0.0000000 0.0441177), wk = 0.0036101 k( 5) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0036101 k( 6) = ( 0.0000000 0.0000000 0.0735294), wk = 0.0036101 k( 7) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0036101 k( 8) = ( 0.0000000 0.0000000 0.1029412), wk = 0.0036101 k( 9) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0036101 k( 10) = ( 0.0000000 0.0000000 0.1323529), wk = 0.0036101 k( 11) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0036101 k( 12) = ( 0.0000000 0.0000000 0.1617647), wk = 0.0036101 k( 13) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0036101 k( 14) = ( 0.0000000 0.0000000 0.1911765), wk = 0.0036101 k( 15) = ( 0.0000000 0.0000000 0.2058824), wk = 0.0036101 k( 16) = ( 0.0000000 0.0000000 0.2205882), wk = 0.0036101 k( 17) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0036101 k( 18) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0036101 k( 19) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0036101 k( 20) = ( 0.0000000 0.0000000 0.2794118), wk = 0.0036101 k( 21) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0036101 k( 22) = ( 0.0000000 0.0000000 0.3088235), wk = 0.0036101 k( 23) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0036101 k( 24) = ( 0.0000000 0.0000000 0.3382353), wk = 0.0036101 k( 25) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0036101 k( 26) = ( 0.0000000 0.0000000 0.3676471), wk = 0.0036101 k( 27) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0036101 k( 28) = ( 0.0000000 0.0000000 0.3970588), wk = 0.0036101 k( 29) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0036101 k( 30) = ( 0.0000000 0.0000000 0.4264706), wk = 0.0036101 k( 31) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0036101 k( 32) = ( 0.0000000 0.0000000 0.4558823), wk = 0.0036101 k( 33) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0036101 k( 34) = ( 0.0000000 0.0000000 0.4852941), wk = 0.0036101 k( 35) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036101 k( 36) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036101 k( 37) = ( -0.0142094 0.0142094 0.5000000), wk = 0.0036101 k( 38) = ( -0.0284187 0.0284187 0.5000000), wk = 0.0036101 k( 39) = ( -0.0426280 0.0426280 0.5000000), wk = 0.0036101 k( 40) = ( -0.0568374 0.0568374 0.5000000), wk = 0.0036101 k( 41) = ( -0.0710467 0.0710467 0.5000000), wk = 0.0036101 k( 42) = ( -0.0852561 0.0852561 0.5000000), wk = 0.0036101 k( 43) = ( -0.0994654 0.0994654 0.5000000), wk = 0.0036101 k( 44) = ( -0.1136748 0.1136748 0.5000000), wk = 0.0036101 k( 45) = ( -0.1278841 0.1278841 0.5000000), wk = 0.0036101 k( 46) = ( -0.1420935 0.1420935 0.5000000), wk = 0.0036101 k( 47) = ( -0.1563028 0.1563028 0.5000000), wk = 0.0036101 k( 48) = ( -0.1705122 0.1705122 0.5000000), wk = 0.0036101 k( 49) = ( -0.1847215 0.1847215 0.5000000), wk = 0.0036101 k( 50) = ( -0.1989308 0.1989309 0.5000000), wk = 0.0036101 k( 51) = ( -0.2131402 0.2131402 0.5000000), wk = 0.0036101 k( 52) = ( -0.2273495 0.2273495 0.5000000), wk = 0.0036101 k( 53) = ( -0.2415589 0.2415589 0.5000000), wk = 0.0036101 k( 54) = ( -0.2557682 0.2557682 0.5000000), wk = 0.0036101 k( 55) = ( -0.2699776 0.2699776 0.5000000), wk = 0.0036101 k( 56) = ( -0.2841869 0.2841869 0.5000000), wk = 0.0036101 k( 57) = ( -0.2983963 0.2983963 0.5000000), wk = 0.0036101 k( 58) = ( -0.3126056 0.3126056 0.5000000), wk = 0.0036101 k( 59) = ( -0.3268150 0.3268150 0.5000000), wk = 0.0036101 k( 60) = ( -0.3268150 0.3268150 0.5000000), wk = 0.0036101 k( 61) = ( -0.3364363 0.3364364 0.4903786), wk = 0.0036101 k( 62) = ( -0.3460577 0.3460577 0.4807572), wk = 0.0036101 k( 63) = ( -0.3556791 0.3556791 0.4711358), wk = 0.0036101 k( 64) = ( -0.3653005 0.3653005 0.4615144), wk = 0.0036101 k( 65) = ( -0.3749219 0.3749219 0.4518930), wk = 0.0036101 k( 66) = ( -0.3845433 0.3845433 0.4422716), wk = 0.0036101 k( 67) = ( -0.3941647 0.3941647 0.4326503), wk = 0.0036101 k( 68) = ( -0.4037861 0.4037861 0.4230289), wk = 0.0036101 k( 69) = ( -0.4134075 0.4134075 0.4134075), wk = 0.0036101 k( 70) = ( -0.4134075 0.4134075 0.4134075), wk = 0.0036101 k( 71) = ( -0.4030723 0.4030723 0.4030723), wk = 0.0036101 k( 72) = ( -0.3927371 0.3927371 0.3927371), wk = 0.0036101 k( 73) = ( -0.3824019 0.3824019 0.3824019), wk = 0.0036101 k( 74) = ( -0.3720667 0.3720667 0.3720667), wk = 0.0036101 k( 75) = ( -0.3617316 0.3617316 0.3617316), wk = 0.0036101 k( 76) = ( -0.3513964 0.3513964 0.3513964), wk = 0.0036101 k( 77) = ( -0.3410612 0.3410612 0.3410612), wk = 0.0036101 k( 78) = ( -0.3307260 0.3307260 0.3307260), wk = 0.0036101 k( 79) = ( -0.3203908 0.3203908 0.3203908), wk = 0.0036101 k( 80) = ( -0.3100556 0.3100556 0.3100556), wk = 0.0036101 k( 81) = ( -0.2997204 0.2997204 0.2997204), wk = 0.0036101 k( 82) = ( -0.2893852 0.2893852 0.2893852), wk = 0.0036101 k( 83) = ( -0.2790500 0.2790500 0.2790500), wk = 0.0036101 k( 84) = ( -0.2687149 0.2687149 0.2687149), wk = 0.0036101 k( 85) = ( -0.2583797 0.2583797 0.2583797), wk = 0.0036101 k( 86) = ( -0.2480445 0.2480445 0.2480445), wk = 0.0036101 k( 87) = ( -0.2377093 0.2377093 0.2377093), wk = 0.0036101 k( 88) = ( -0.2273741 0.2273741 0.2273741), wk = 0.0036101 k( 89) = ( -0.2170389 0.2170389 0.2170389), wk = 0.0036101 k( 90) = ( -0.2067037 0.2067037 0.2067037), wk = 0.0036101 k( 91) = ( -0.1963686 0.1963686 0.1963686), wk = 0.0036101 k( 92) = ( -0.1860334 0.1860334 0.1860334), wk = 0.0036101 k( 93) = ( -0.1756982 0.1756982 0.1756982), wk = 0.0036101 k( 94) = ( -0.1653630 0.1653630 0.1653630), wk = 0.0036101 k( 95) = ( -0.1550278 0.1550278 0.1550278), wk = 0.0036101 k( 96) = ( -0.1446926 0.1446926 0.1446926), wk = 0.0036101 k( 97) = ( -0.1343574 0.1343574 0.1343574), wk = 0.0036101 k( 98) = ( -0.1240222 0.1240222 0.1240222), wk = 0.0036101 k( 99) = ( -0.1136871 0.1136871 0.1136871), wk = 0.0036101 k( 100) = ( -0.1033519 0.1033519 0.1033519), wk = 0.0036101 k( 101) = ( -0.0930167 0.0930167 0.0930167), wk = 0.0036101 k( 102) = ( -0.0826815 0.0826815 0.0826815), wk = 0.0036101 k( 103) = ( -0.0723463 0.0723463 0.0723463), wk = 0.0036101 k( 104) = ( -0.0620111 0.0620111 0.0620111), wk = 0.0036101 k( 105) = ( -0.0516759 0.0516759 0.0516759), wk = 0.0036101 k( 106) = ( -0.0413408 0.0413408 0.0413408), wk = 0.0036101 k( 107) = ( -0.0310056 0.0310056 0.0310056), wk = 0.0036101 k( 108) = ( -0.0206704 0.0206704 0.0206704), wk = 0.0036101 k( 109) = ( -0.0103352 0.0103352 0.0103352), wk = 0.0036101 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 112) = ( 0.0128205 0.0128205 -0.0128205), wk = 0.0036101 k( 113) = ( 0.0256410 0.0256410 -0.0256410), wk = 0.0036101 k( 114) = ( 0.0384615 0.0384615 -0.0384615), wk = 0.0036101 k( 115) = ( 0.0512821 0.0512821 -0.0512821), wk = 0.0036101 k( 116) = ( 0.0641026 0.0641026 -0.0641026), wk = 0.0036101 k( 117) = ( 0.0769231 0.0769231 -0.0769231), wk = 0.0036101 k( 118) = ( 0.0897436 0.0897436 -0.0897436), wk = 0.0036101 k( 119) = ( 0.1025641 0.1025641 -0.1025641), wk = 0.0036101 k( 120) = ( 0.1153846 0.1153846 -0.1153846), wk = 0.0036101 k( 121) = ( 0.1282051 0.1282051 -0.1282051), wk = 0.0036101 k( 122) = ( 0.1410256 0.1410256 -0.1410256), wk = 0.0036101 k( 123) = ( 0.1538461 0.1538462 -0.1538461), wk = 0.0036101 k( 124) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0036101 k( 125) = ( 0.1794872 0.1794872 -0.1794872), wk = 0.0036101 k( 126) = ( 0.1923077 0.1923077 -0.1923077), wk = 0.0036101 k( 127) = ( 0.2051282 0.2051282 -0.2051282), wk = 0.0036101 k( 128) = ( 0.2179487 0.2179487 -0.2179487), wk = 0.0036101 k( 129) = ( 0.2307692 0.2307692 -0.2307692), wk = 0.0036101 k( 130) = ( 0.2435897 0.2435897 -0.2435897), wk = 0.0036101 k( 131) = ( 0.2564103 0.2564103 -0.2564103), wk = 0.0036101 k( 132) = ( 0.2692308 0.2692308 -0.2692308), wk = 0.0036101 k( 133) = ( 0.2820513 0.2820513 -0.2820513), wk = 0.0036101 k( 134) = ( 0.2948718 0.2948718 -0.2948718), wk = 0.0036101 k( 135) = ( 0.3076923 0.3076923 -0.3076923), wk = 0.0036101 k( 136) = ( 0.3205128 0.3205128 -0.3205128), wk = 0.0036101 k( 137) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0036101 k( 138) = ( 0.3461538 0.3461538 -0.3461538), wk = 0.0036101 k( 139) = ( 0.3589744 0.3589744 -0.3589744), wk = 0.0036101 k( 140) = ( 0.3717949 0.3717949 -0.3717949), wk = 0.0036101 k( 141) = ( 0.3846154 0.3846154 -0.3846154), wk = 0.0036101 k( 142) = ( 0.3974359 0.3974359 -0.3974359), wk = 0.0036101 k( 143) = ( 0.4102564 0.4102564 -0.4102564), wk = 0.0036101 k( 144) = ( 0.4230769 0.4230769 -0.4230769), wk = 0.0036101 k( 145) = ( 0.4358974 0.4358974 -0.4358974), wk = 0.0036101 k( 146) = ( 0.4487179 0.4487180 -0.4487179), wk = 0.0036101 k( 147) = ( 0.4615385 0.4615385 -0.4615385), wk = 0.0036101 k( 148) = ( 0.4743590 0.4743590 -0.4743590), wk = 0.0036101 k( 149) = ( 0.4871795 0.4871795 -0.4871795), wk = 0.0036101 k( 150) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036101 k( 151) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036101 k( 152) = ( 0.4903786 0.5096214 -0.4903786), wk = 0.0036101 k( 153) = ( 0.4807572 0.5192428 -0.4807572), wk = 0.0036101 k( 154) = ( 0.4711358 0.5288642 -0.4711358), wk = 0.0036101 k( 155) = ( 0.4615144 0.5384856 -0.4615144), wk = 0.0036101 k( 156) = ( 0.4518930 0.5481070 -0.4518930), wk = 0.0036101 k( 157) = ( 0.4422717 0.5577283 -0.4422716), wk = 0.0036101 k( 158) = ( 0.4326503 0.5673497 -0.4326503), wk = 0.0036101 k( 159) = ( 0.4230289 0.5769711 -0.4230289), wk = 0.0036101 k( 160) = ( 0.4134075 0.5865925 -0.4134075), wk = 0.0036101 k( 161) = ( 0.4134075 0.5865925 -0.4134075), wk = 0.0036101 k( 162) = ( 0.3968712 0.5831288 -0.3968712), wk = 0.0036101 k( 163) = ( 0.3803349 0.5796651 -0.3803349), wk = 0.0036101 k( 164) = ( 0.3637986 0.5762014 -0.3637986), wk = 0.0036101 k( 165) = ( 0.3472623 0.5727377 -0.3472623), wk = 0.0036101 k( 166) = ( 0.3307260 0.5692740 -0.3307260), wk = 0.0036101 k( 167) = ( 0.3141897 0.5658103 -0.3141897), wk = 0.0036101 k( 168) = ( 0.2976534 0.5623466 -0.2976534), wk = 0.0036101 k( 169) = ( 0.2811171 0.5588829 -0.2811171), wk = 0.0036101 k( 170) = ( 0.2645808 0.5554192 -0.2645808), wk = 0.0036101 k( 171) = ( 0.2480445 0.5519555 -0.2480445), wk = 0.0036101 k( 172) = ( 0.2315082 0.5484918 -0.2315082), wk = 0.0036101 k( 173) = ( 0.2149719 0.5450281 -0.2149719), wk = 0.0036101 k( 174) = ( 0.1984356 0.5415644 -0.1984356), wk = 0.0036101 k( 175) = ( 0.1818993 0.5381007 -0.1818993), wk = 0.0036101 k( 176) = ( 0.1653630 0.5346370 -0.1653630), wk = 0.0036101 k( 177) = ( 0.1488267 0.5311733 -0.1488267), wk = 0.0036101 k( 178) = ( 0.1322904 0.5277096 -0.1322904), wk = 0.0036101 k( 179) = ( 0.1157541 0.5242459 -0.1157541), wk = 0.0036101 k( 180) = ( 0.0992178 0.5207822 -0.0992178), wk = 0.0036101 k( 181) = ( 0.0826815 0.5173185 -0.0826815), wk = 0.0036101 k( 182) = ( 0.0661452 0.5138548 -0.0661452), wk = 0.0036101 k( 183) = ( 0.0496089 0.5103911 -0.0496089), wk = 0.0036101 k( 184) = ( 0.0330726 0.5069274 -0.0330726), wk = 0.0036101 k( 185) = ( 0.0165363 0.5034637 -0.0165363), wk = 0.0036101 k( 186) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036101 k( 187) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036101 k( 188) = ( 0.0100000 0.4900000 0.0100000), wk = 0.0036101 k( 189) = ( 0.0200000 0.4800000 0.0200000), wk = 0.0036101 k( 190) = ( 0.0300000 0.4700000 0.0300000), wk = 0.0036101 k( 191) = ( 0.0400000 0.4600000 0.0400000), wk = 0.0036101 k( 192) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0036101 k( 193) = ( 0.0600000 0.4400000 0.0600000), wk = 0.0036101 k( 194) = ( 0.0700000 0.4300000 0.0700000), wk = 0.0036101 k( 195) = ( 0.0800000 0.4200000 0.0800000), wk = 0.0036101 k( 196) = ( 0.0900000 0.4100000 0.0900000), wk = 0.0036101 k( 197) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0036101 k( 198) = ( 0.1100000 0.3900000 0.1100000), wk = 0.0036101 k( 199) = ( 0.1200000 0.3800000 0.1200000), wk = 0.0036101 k( 200) = ( 0.1300000 0.3700000 0.1300000), wk = 0.0036101 k( 201) = ( 0.1400000 0.3600000 0.1400000), wk = 0.0036101 k( 202) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0036101 k( 203) = ( 0.1600000 0.3400000 0.1600000), wk = 0.0036101 k( 204) = ( 0.1700000 0.3300000 0.1700000), wk = 0.0036101 k( 205) = ( 0.1800000 0.3200000 0.1800000), wk = 0.0036101 k( 206) = ( 0.1900000 0.3100000 0.1900000), wk = 0.0036101 k( 207) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0036101 k( 208) = ( 0.2100000 0.2900000 0.2100000), wk = 0.0036101 k( 209) = ( 0.2200000 0.2800000 0.2200000), wk = 0.0036101 k( 210) = ( 0.2300000 0.2700000 0.2300000), wk = 0.0036101 k( 211) = ( 0.2400000 0.2600000 0.2400000), wk = 0.0036101 k( 212) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036101 k( 213) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036101 k( 214) = ( 0.2583333 0.2583333 0.2307728), wk = 0.0036101 k( 215) = ( 0.2666667 0.2666667 0.2115457), wk = 0.0036101 k( 216) = ( 0.2750000 0.2750000 0.1923185), wk = 0.0036101 k( 217) = ( 0.2833333 0.2833333 0.1730913), wk = 0.0036101 k( 218) = ( 0.2916667 0.2916667 0.1538642), wk = 0.0036101 k( 219) = ( 0.3000000 0.3000000 0.1346370), wk = 0.0036101 k( 220) = ( 0.3083333 0.3083333 0.1154098), wk = 0.0036101 k( 221) = ( 0.3166667 0.3166667 0.0961827), wk = 0.0036101 k( 222) = ( 0.3250000 0.3250000 0.0769555), wk = 0.0036101 k( 223) = ( 0.3333333 0.3333333 0.0577284), wk = 0.0036101 k( 224) = ( 0.3416667 0.3416667 0.0385012), wk = 0.0036101 k( 225) = ( 0.3500000 0.3500000 0.0192740), wk = 0.0036101 k( 226) = ( 0.3583333 0.3583333 0.0000469), wk = 0.0036101 k( 227) = ( 0.3666667 0.3666667 -0.0191803), wk = 0.0036101 k( 228) = ( 0.3750000 0.3750000 -0.0384075), wk = 0.0036101 k( 229) = ( 0.3833333 0.3833333 -0.0576346), wk = 0.0036101 k( 230) = ( 0.3916667 0.3916667 -0.0768618), wk = 0.0036101 k( 231) = ( 0.4000000 0.4000000 -0.0960890), wk = 0.0036101 k( 232) = ( 0.4083333 0.4083333 -0.1153161), wk = 0.0036101 k( 233) = ( 0.4166667 0.4166667 -0.1345433), wk = 0.0036101 k( 234) = ( 0.4250000 0.4250000 -0.1537705), wk = 0.0036101 k( 235) = ( 0.4333333 0.4333333 -0.1729976), wk = 0.0036101 k( 236) = ( 0.4416667 0.4416667 -0.1922248), wk = 0.0036101 k( 237) = ( 0.4500000 0.4500000 -0.2114520), wk = 0.0036101 k( 238) = ( 0.4583333 0.4583333 -0.2306791), wk = 0.0036101 k( 239) = ( 0.4666667 0.4666667 -0.2499063), wk = 0.0036101 k( 240) = ( 0.4750000 0.4750000 -0.2691335), wk = 0.0036101 k( 241) = ( 0.4833333 0.4833333 -0.2883606), wk = 0.0036101 k( 242) = ( 0.4916667 0.4916667 -0.3075878), wk = 0.0036101 k( 243) = ( 0.5000000 0.5000000 -0.3268150), wk = 0.0036101 k( 244) = ( 0.5000000 0.5000000 -0.3268150), wk = 0.0036101 k( 245) = ( 0.5000000 0.5000000 -0.3412470), wk = 0.0036101 k( 246) = ( 0.5000000 0.5000000 -0.3556791), wk = 0.0036101 k( 247) = ( 0.5000000 0.5000000 -0.3701112), wk = 0.0036101 k( 248) = ( 0.5000000 0.5000000 -0.3845433), wk = 0.0036101 k( 249) = ( 0.5000000 0.5000000 -0.3989754), wk = 0.0036101 k( 250) = ( 0.5000000 0.5000000 -0.4134075), wk = 0.0036101 k( 251) = ( 0.5000000 0.5000000 -0.4278396), wk = 0.0036101 k( 252) = ( 0.5000000 0.5000000 -0.4422716), wk = 0.0036101 k( 253) = ( 0.5000000 0.5000000 -0.4567037), wk = 0.0036101 k( 254) = ( 0.5000000 0.5000000 -0.4711358), wk = 0.0036101 k( 255) = ( 0.5000000 0.5000000 -0.4855679), wk = 0.0036101 k( 256) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036101 k( 257) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036101 k( 258) = ( 0.0125000 0.0125000 0.4875000), wk = 0.0036101 k( 259) = ( 0.0250000 0.0250000 0.4750000), wk = 0.0036101 k( 260) = ( 0.0375000 0.0375000 0.4625000), wk = 0.0036101 k( 261) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0036101 k( 262) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0036101 k( 263) = ( 0.0750000 0.0750000 0.4250000), wk = 0.0036101 k( 264) = ( 0.0875000 0.0875000 0.4125000), wk = 0.0036101 k( 265) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0036101 k( 266) = ( 0.1125000 0.1125000 0.3875000), wk = 0.0036101 k( 267) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0036101 k( 268) = ( 0.1375000 0.1375000 0.3625000), wk = 0.0036101 k( 269) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0036101 k( 270) = ( 0.1625000 0.1625000 0.3375000), wk = 0.0036101 k( 271) = ( 0.1750000 0.1750000 0.3250000), wk = 0.0036101 k( 272) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0036101 k( 273) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0036101 k( 274) = ( 0.2125000 0.2125000 0.2875000), wk = 0.0036101 k( 275) = ( 0.2250000 0.2250000 0.2750000), wk = 0.0036101 k( 276) = ( 0.2375000 0.2375000 0.2625000), wk = 0.0036101 k( 277) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036101 Dense grid: 113327 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 112871 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.70 Mb ( 786, 58) NL pseudopotentials 1.25 Mb ( 393, 208) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 3149) G-vector shells 0.01 Mb ( 1388) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.78 Mb ( 786, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.37 Mb ( 208, 2, 58) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./CsN3.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.2 secs Computing kpt #: 2 total cpu time spent up to now is 4.6 secs Computing kpt #: 3 total cpu time spent up to now is 6.0 secs Computing kpt #: 4 total cpu time spent up to now is 7.4 secs Computing kpt #: 5 total cpu time spent up to now is 8.9 secs Computing kpt #: 6 total cpu time spent up to now is 10.3 secs Computing kpt #: 7 total cpu time spent up to now is 11.7 secs Computing kpt #: 8 total cpu time spent up to now is 13.1 secs Computing kpt #: 9 total cpu time spent up to now is 14.6 secs Computing kpt #: 10 total cpu time spent up to now is 16.0 secs Computing kpt #: 11 total cpu time spent up to now is 17.4 secs Computing kpt #: 12 total cpu time spent up to now is 18.7 secs Computing kpt #: 13 total cpu time spent up to now is 19.9 secs Computing kpt #: 14 total cpu time spent up to now is 21.1 secs Computing kpt #: 15 total cpu time spent up to now is 22.3 secs Computing kpt #: 16 total cpu time spent up to now is 23.5 secs Computing kpt #: 17 total cpu time spent up to now is 24.7 secs Computing kpt #: 18 total cpu time spent up to now is 25.9 secs Computing kpt #: 19 total cpu time spent up to now is 27.1 secs Computing kpt #: 20 total cpu time spent up to now is 28.3 secs Computing kpt #: 21 total cpu time spent up to now is 29.5 secs Computing kpt #: 22 total cpu time spent up to now is 30.7 secs Computing kpt #: 23 total cpu time spent up to now is 32.0 secs Computing kpt #: 24 total cpu time spent up to now is 33.2 secs Computing kpt #: 25 total cpu time spent up to now is 34.5 secs Computing kpt #: 26 total cpu time spent up to now is 35.7 secs Computing kpt #: 27 total cpu time spent up to now is 37.0 secs Computing kpt #: 28 total cpu time spent up to now is 38.2 secs Computing kpt #: 29 total cpu time spent up to now is 39.5 secs Computing kpt #: 30 total cpu time spent up to now is 40.7 secs Computing kpt #: 31 total cpu time spent up to now is 42.0 secs Computing kpt #: 32 total cpu time spent up to now is 43.4 secs Computing kpt #: 33 total cpu time spent up to now is 44.9 secs Computing kpt #: 34 total cpu time spent up to now is 46.5 secs Computing kpt #: 35 total cpu time spent up to now is 48.1 secs Computing kpt #: 36 total cpu time spent up to now is 49.7 secs Computing kpt #: 37 total cpu time spent up to now is 51.2 secs Computing kpt #: 38 total cpu time spent up to now is 52.8 secs Computing kpt #: 39 total cpu time spent up to now is 54.3 secs Computing kpt #: 40 total cpu time spent up to now is 55.8 secs Computing kpt #: 41 total cpu time spent up to now is 57.2 secs Computing kpt #: 42 total cpu time spent up to now is 58.6 secs Computing kpt #: 43 total cpu time spent up to now is 60.3 secs Computing kpt #: 44 total cpu time spent up to now is 61.8 secs Computing kpt #: 45 total cpu time spent up to now is 63.3 secs Computing kpt #: 46 total cpu time spent up to now is 64.7 secs Computing kpt #: 47 total cpu time spent up to now is 66.2 secs Computing kpt #: 48 total cpu time spent up to now is 67.6 secs Computing kpt #: 49 total cpu time spent up to now is 68.9 secs Computing kpt #: 50 total cpu time spent up to now is 70.1 secs Computing kpt #: 51 total cpu time spent up to now is 71.3 secs Computing kpt #: 52 total cpu time spent up to now is 72.6 secs Computing kpt #: 53 total cpu time spent up to now is 73.7 secs Computing kpt #: 54 total cpu time spent up to now is 74.9 secs Computing kpt #: 55 total cpu time spent up to now is 76.4 secs Computing kpt #: 56 total cpu time spent up to now is 77.7 secs Computing kpt #: 57 total cpu time spent up to now is 78.9 secs Computing kpt #: 58 total cpu time spent up to now is 80.1 secs Computing kpt #: 59 total cpu time spent up to now is 81.2 secs Computing kpt #: 60 total cpu time spent up to now is 82.3 secs Computing kpt #: 61 total cpu time spent up to now is 83.4 secs Computing kpt #: 62 total cpu time spent up to now is 84.5 secs Computing kpt #: 63 total cpu time spent up to now is 85.6 secs Computing kpt #: 64 total cpu time spent up to now is 86.7 secs Computing kpt #: 65 total cpu time spent up to now is 87.8 secs Computing kpt #: 66 total cpu time spent up to now is 88.9 secs Computing kpt #: 67 total cpu time spent up to now is 90.0 secs Computing kpt #: 68 total cpu time spent up to now is 91.1 secs Computing kpt #: 69 total cpu time spent up to now is 92.2 secs Computing kpt #: 70 total cpu time spent up to now is 93.3 secs Computing kpt #: 71 total cpu time spent up to now is 94.5 secs Computing kpt #: 72 total cpu time spent up to now is 95.6 secs Computing kpt #: 73 total cpu time spent up to now is 96.7 secs Computing kpt #: 74 total cpu time spent up to now is 97.8 secs Computing kpt #: 75 total cpu time spent up to now is 99.0 secs Computing kpt #: 76 total cpu time spent up to now is 100.1 secs Computing kpt #: 77 total cpu time spent up to now is 101.2 secs Computing kpt #: 78 total cpu time spent up to now is 102.4 secs Computing kpt #: 79 total cpu time spent up to now is 103.5 secs Computing kpt #: 80 total cpu time spent up to now is 104.7 secs Computing kpt #: 81 total cpu time spent up to now is 105.9 secs Computing kpt #: 82 total cpu time spent up to now is 107.1 secs Computing kpt #: 83 total cpu time spent up to now is 108.3 secs Computing kpt #: 84 total cpu time spent up to now is 109.5 secs Computing kpt #: 85 total cpu time spent up to now is 110.7 secs Computing kpt #: 86 total cpu time spent up to now is 111.9 secs Computing kpt #: 87 total cpu time spent up to now is 113.2 secs Computing kpt #: 88 total cpu time spent up to now is 114.4 secs Computing kpt #: 89 total cpu time spent up to now is 115.6 secs Computing kpt #: 90 total cpu time spent up to now is 116.9 secs Computing kpt #: 91 total cpu time spent up to now is 118.1 secs Computing kpt #: 92 total cpu time spent up to now is 119.3 secs Computing kpt #: 93 total cpu time spent up to now is 120.6 secs Computing kpt #: 94 total cpu time spent up to now is 121.8 secs Computing kpt #: 95 total cpu time spent up to now is 123.1 secs Computing kpt #: 96 total cpu time spent up to now is 124.3 secs Computing kpt #: 97 total cpu time spent up to now is 125.6 secs Computing kpt #: 98 total cpu time spent up to now is 126.8 secs Computing kpt #: 99 total cpu time spent up to now is 128.2 secs Computing kpt #: 100 total cpu time spent up to now is 129.6 secs Computing kpt #: 101 total cpu time spent up to now is 131.0 secs Computing kpt #: 102 total cpu time spent up to now is 132.4 secs Computing kpt #: 103 total cpu time spent up to now is 133.9 secs Computing kpt #: 104 total cpu time spent up to now is 135.3 secs Computing kpt #: 105 total cpu time spent up to now is 136.8 secs Computing kpt #: 106 total cpu time spent up to now is 138.2 secs Computing kpt #: 107 total cpu time spent up to now is 139.6 secs Computing kpt #: 108 total cpu time spent up to now is 141.0 secs Computing kpt #: 109 total cpu time spent up to now is 142.5 secs Computing kpt #: 110 total cpu time spent up to now is 143.9 secs Computing kpt #: 111 total cpu time spent up to now is 145.1 secs Computing kpt #: 112 total cpu time spent up to now is 146.4 secs Computing kpt #: 113 total cpu time spent up to now is 147.7 secs Computing kpt #: 114 total cpu time spent up to now is 148.9 secs Computing kpt #: 115 total cpu time spent up to now is 150.2 secs Computing kpt #: 116 total cpu time spent up to now is 151.4 secs Computing kpt #: 117 total cpu time spent up to now is 152.6 secs Computing kpt #: 118 total cpu time spent up to now is 153.9 secs Computing kpt #: 119 total cpu time spent up to now is 155.1 secs Computing kpt #: 120 total cpu time spent up to now is 156.3 secs Computing kpt #: 121 total cpu time spent up to now is 157.5 secs Computing kpt #: 122 total cpu time spent up to now is 158.8 secs Computing kpt #: 123 total cpu time spent up to now is 160.0 secs Computing kpt #: 124 total cpu time spent up to now is 161.3 secs Computing kpt #: 125 total cpu time spent up to now is 162.9 secs Computing kpt #: 126 total cpu time spent up to now is 164.3 secs Computing kpt #: 127 total cpu time spent up to now is 165.7 secs Computing kpt #: 128 total cpu time spent up to now is 167.1 secs Computing kpt #: 129 total cpu time spent up to now is 168.5 secs Computing kpt #: 130 total cpu time spent up to now is 169.9 secs Computing kpt #: 131 total cpu time spent up to now is 171.3 secs Computing kpt #: 132 total cpu time spent up to now is 172.7 secs Computing kpt #: 133 total cpu time spent up to now is 174.1 secs Computing kpt #: 134 total cpu time spent up to now is 175.3 secs Computing kpt #: 135 total cpu time spent up to now is 176.4 secs Computing kpt #: 136 total cpu time spent up to now is 177.6 secs Computing kpt #: 137 total cpu time spent up to now is 178.7 secs Computing kpt #: 138 total cpu time spent up to now is 179.8 secs Computing kpt #: 139 total cpu time spent up to now is 180.9 secs Computing kpt #: 140 total cpu time spent up to now is 182.0 secs Computing kpt #: 141 total cpu time spent up to now is 183.1 secs Computing kpt #: 142 total cpu time spent up to now is 184.2 secs Computing kpt #: 143 total cpu time spent up to now is 185.3 secs Computing kpt #: 144 total cpu time spent up to now is 186.4 secs Computing kpt #: 145 total cpu time spent up to now is 187.5 secs Computing kpt #: 146 total cpu time spent up to now is 188.5 secs Computing kpt #: 147 total cpu time spent up to now is 189.6 secs Computing kpt #: 148 total cpu time spent up to now is 190.7 secs Computing kpt #: 149 total cpu time spent up to now is 191.8 secs Computing kpt #: 150 total cpu time spent up to now is 192.8 secs Computing kpt #: 151 total cpu time spent up to now is 193.9 secs Computing kpt #: 152 total cpu time spent up to now is 195.0 secs Computing kpt #: 153 total cpu time spent up to now is 196.0 secs Computing kpt #: 154 total cpu time spent up to now is 197.1 secs Computing kpt #: 155 total cpu time spent up to now is 198.2 secs Computing kpt #: 156 total cpu time spent up to now is 199.3 secs Computing kpt #: 157 total cpu time spent up to now is 200.4 secs Computing kpt #: 158 total cpu time spent up to now is 201.5 secs Computing kpt #: 159 total cpu time spent up to now is 202.6 secs Computing kpt #: 160 total cpu time spent up to now is 203.7 secs Computing kpt #: 161 total cpu time spent up to now is 204.8 secs Computing kpt #: 162 total cpu time spent up to now is 206.0 secs Computing kpt #: 163 total cpu time spent up to now is 207.1 secs Computing kpt #: 164 total cpu time spent up to now is 208.2 secs Computing kpt #: 165 total cpu time spent up to now is 209.3 secs Computing kpt #: 166 total cpu time spent up to now is 210.5 secs Computing kpt #: 167 total cpu time spent up to now is 211.6 secs Computing kpt #: 168 total cpu time spent up to now is 212.8 secs Computing kpt #: 169 total cpu time spent up to now is 213.9 secs Computing kpt #: 170 total cpu time spent up to now is 215.1 secs Computing kpt #: 171 total cpu time spent up to now is 216.2 secs Computing kpt #: 172 total cpu time spent up to now is 217.4 secs Computing kpt #: 173 total cpu time spent up to now is 218.6 secs Computing kpt #: 174 total cpu time spent up to now is 219.8 secs Computing kpt #: 175 total cpu time spent up to now is 221.0 secs Computing kpt #: 176 total cpu time spent up to now is 222.3 secs Computing kpt #: 177 total cpu time spent up to now is 223.7 secs Computing kpt #: 178 total cpu time spent up to now is 225.1 secs Computing kpt #: 179 total cpu time spent up to now is 226.6 secs Computing kpt #: 180 total cpu time spent up to now is 228.0 secs Computing kpt #: 181 total cpu time spent up to now is 229.5 secs Computing kpt #: 182 total cpu time spent up to now is 230.9 secs Computing kpt #: 183 total cpu time spent up to now is 232.4 secs Computing kpt #: 184 total cpu time spent up to now is 233.9 secs Computing kpt #: 185 total cpu time spent up to now is 235.4 secs Computing kpt #: 186 total cpu time spent up to now is 236.6 secs Computing kpt #: 187 total cpu time spent up to now is 237.9 secs Computing kpt #: 188 total cpu time spent up to now is 239.4 secs Computing kpt #: 189 total cpu time spent up to now is 241.0 secs Computing kpt #: 190 total cpu time spent up to now is 242.5 secs Computing kpt #: 191 total cpu time spent up to now is 244.0 secs Computing kpt #: 192 total cpu time spent up to now is 245.6 secs Computing kpt #: 193 total cpu time spent up to now is 247.1 secs Computing kpt #: 194 total cpu time spent up to now is 248.6 secs Computing kpt #: 195 total cpu time spent up to now is 250.1 secs Computing kpt #: 196 total cpu time spent up to now is 251.5 secs Computing kpt #: 197 total cpu time spent up to now is 253.0 secs Computing kpt #: 198 total cpu time spent up to now is 254.5 secs Computing kpt #: 199 total cpu time spent up to now is 256.1 secs Computing kpt #: 200 total cpu time spent up to now is 257.6 secs Computing kpt #: 201 total cpu time spent up to now is 259.2 secs Computing kpt #: 202 total cpu time spent up to now is 261.5 secs Computing kpt #: 203 total cpu time spent up to now is 263.3 secs Computing kpt #: 204 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 266.5 secs Computing kpt #: 205 total cpu time spent up to now is 267.9 secs Computing kpt #: 206 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 271.1 secs Computing kpt #: 207 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 274.4 secs Computing kpt #: 208 total cpu time spent up to now is 277.4 secs Computing kpt #: 209 total cpu time spent up to now is 280.4 secs Computing kpt #: 210 total cpu time spent up to now is 282.7 secs Computing kpt #: 211 total cpu time spent up to now is 284.1 secs Computing kpt #: 212 total cpu time spent up to now is 285.4 secs Computing kpt #: 213 total cpu time spent up to now is 286.6 secs Computing kpt #: 214 total cpu time spent up to now is 288.0 secs Computing kpt #: 215 total cpu time spent up to now is 289.4 secs Computing kpt #: 216 total cpu time spent up to now is 290.8 secs Computing kpt #: 217 total cpu time spent up to now is 292.1 secs Computing kpt #: 218 total cpu time spent up to now is 293.5 secs Computing kpt #: 219 total cpu time spent up to now is 294.9 secs Computing kpt #: 220 total cpu time spent up to now is 296.1 secs Computing kpt #: 221 total cpu time spent up to now is 297.5 secs Computing kpt #: 222 total cpu time spent up to now is 299.0 secs Computing kpt #: 223 total cpu time spent up to now is 300.4 secs Computing kpt #: 224 total cpu time spent up to now is 301.9 secs Computing kpt #: 225 total cpu time spent up to now is 303.4 secs Computing kpt #: 226 total cpu time spent up to now is 304.8 secs Computing kpt #: 227 total cpu time spent up to now is 306.3 secs Computing kpt #: 228 total cpu time spent up to now is 307.7 secs Computing kpt #: 229 total cpu time spent up to now is 309.0 secs Computing kpt #: 230 total cpu time spent up to now is 310.3 secs Computing kpt #: 231 total cpu time spent up to now is 311.5 secs Computing kpt #: 232 total cpu time spent up to now is 312.7 secs Computing kpt #: 233 total cpu time spent up to now is 313.9 secs Computing kpt #: 234 total cpu time spent up to now is 315.1 secs Computing kpt #: 235 total cpu time spent up to now is 316.4 secs Computing kpt #: 236 total cpu time spent up to now is 317.5 secs Computing kpt #: 237 total cpu time spent up to now is 318.7 secs Computing kpt #: 238 total cpu time spent up to now is 319.8 secs Computing kpt #: 239 total cpu time spent up to now is 321.0 secs Computing kpt #: 240 total cpu time spent up to now is 322.1 secs Computing kpt #: 241 total cpu time spent up to now is 323.3 secs Computing kpt #: 242 total cpu time spent up to now is 324.4 secs Computing kpt #: 243 total cpu time spent up to now is 325.5 secs Computing kpt #: 244 total cpu time spent up to now is 326.7 secs Computing kpt #: 245 total cpu time spent up to now is 327.8 secs Computing kpt #: 246 total cpu time spent up to now is 328.9 secs Computing kpt #: 247 total cpu time spent up to now is 330.0 secs Computing kpt #: 248 total cpu time spent up to now is 331.1 secs Computing kpt #: 249 total cpu time spent up to now is 332.2 secs Computing kpt #: 250 total cpu time spent up to now is 333.3 secs Computing kpt #: 251 total cpu time spent up to now is 334.4 secs Computing kpt #: 252 total cpu time spent up to now is 335.5 secs Computing kpt #: 253 total cpu time spent up to now is 336.5 secs Computing kpt #: 254 total cpu time spent up to now is 337.6 secs Computing kpt #: 255 total cpu time spent up to now is 338.7 secs Computing kpt #: 256 total cpu time spent up to now is 339.7 secs Computing kpt #: 257 total cpu time spent up to now is 341.3 secs Computing kpt #: 258 total cpu time spent up to now is 342.8 secs Computing kpt #: 259 total cpu time spent up to now is 344.3 secs Computing kpt #: 260 total cpu time spent up to now is 345.8 secs Computing kpt #: 261 total cpu time spent up to now is 347.3 secs Computing kpt #: 262 total cpu time spent up to now is 348.5 secs Computing kpt #: 263 total cpu time spent up to now is 349.8 secs Computing kpt #: 264 total cpu time spent up to now is 351.0 secs Computing kpt #: 265 total cpu time spent up to now is 352.2 secs Computing kpt #: 266 total cpu time spent up to now is 353.4 secs Computing kpt #: 267 total cpu time spent up to now is 354.7 secs Computing kpt #: 268 total cpu time spent up to now is 355.9 secs Computing kpt #: 269 total cpu time spent up to now is 357.1 secs Computing kpt #: 270 total cpu time spent up to now is 358.3 secs Computing kpt #: 271 total cpu time spent up to now is 359.6 secs Computing kpt #: 272 total cpu time spent up to now is 360.8 secs Computing kpt #: 273 total cpu time spent up to now is 362.0 secs Computing kpt #: 274 total cpu time spent up to now is 363.2 secs Computing kpt #: 275 total cpu time spent up to now is 364.5 secs Computing kpt #: 276 total cpu time spent up to now is 365.7 secs Computing kpt #: 277 total cpu time spent up to now is 367.0 secs ethr = 2.08E-08, avg # of iterations = 22.1 total cpu time spent up to now is 367.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 14117 PWs) bands (ev): -19.0319 -19.0319 -18.9895 -18.9895 -15.4634 -15.4634 -15.3187 -15.3187 -14.7070 -14.7070 -14.7066 -14.7066 -4.4606 -4.4606 -4.2038 -4.2038 -3.4514 -3.4514 -3.3196 -3.3196 -3.2810 -3.2810 -3.2050 -3.2050 -2.9512 -2.9512 -2.9351 -2.9351 -2.3976 -2.3976 -2.3344 -2.3344 -2.1789 -2.1789 -2.0883 -2.0883 -0.8709 -0.8709 -0.8348 -0.8348 3.2107 3.2107 3.2178 3.2178 3.3093 3.3093 3.3437 3.3437 7.6886 7.6886 8.5787 8.5787 8.8582 8.8582 8.9417 8.9417 8.9840 8.9840 k = 0.0000 0.0000 0.0195 ( 14115 PWs) bands (ev): -19.0319 -19.0319 -18.9895 -18.9895 -15.4635 -15.4635 -15.3188 -15.3188 -14.7069 -14.7069 -14.7066 -14.7066 -4.4610 -4.4610 -4.2040 -4.2040 -3.4519 -3.4519 -3.3196 -3.3196 -3.2859 -3.2859 -3.2014 -3.2014 -2.9514 -2.9514 -2.9324 -2.9324 -2.4119 -2.4119 -2.3203 -2.3203 -2.1784 -2.1784 -2.0875 -2.0875 -0.8710 -0.8710 -0.8349 -0.8349 3.2102 3.2102 3.2180 3.2180 3.3087 3.3087 3.3428 3.3428 7.6911 7.6911 8.5800 8.5800 8.8368 8.8368 8.9488 8.9488 8.9818 8.9818 k = 0.0000 0.0000 0.0391 ( 14111 PWs) bands (ev): -19.0318 -19.0318 -18.9896 -18.9896 -15.4637 -15.4637 -15.3189 -15.3189 -14.7067 -14.7067 -14.7065 -14.7065 -4.4620 -4.4620 -4.2044 -4.2044 -3.4533 -3.4533 -3.3198 -3.3198 -3.2976 -3.2976 -3.1930 -3.1930 -2.9516 -2.9516 -2.9248 -2.9248 -2.4394 -2.4394 -2.2937 -2.2937 -2.1772 -2.1772 -2.0847 -2.0847 -0.8713 -0.8713 -0.8352 -0.8352 3.2087 3.2087 3.2184 3.2184 3.3068 3.3068 3.3401 3.3401 7.6986 7.6986 8.5841 8.5841 8.7933 8.7933 8.9575 8.9575 8.9838 8.9838 k = 0.0000 0.0000 0.0586 ( 14105 PWs) bands (ev): -19.0316 -19.0316 -18.9897 -18.9897 -15.4640 -15.4640 -15.3192 -15.3192 -14.7067 -14.7067 -14.7060 -14.7060 -4.4638 -4.4638 -4.2051 -4.2051 -3.4561 -3.4561 -3.3235 -3.3235 -3.3092 -3.3092 -3.1830 -3.1830 -2.9518 -2.9518 -2.9128 -2.9128 -2.4691 -2.4691 -2.2659 -2.2659 -2.1752 -2.1752 -2.0793 -2.0793 -0.8720 -0.8720 -0.8356 -0.8356 3.2061 3.2061 3.2192 3.2192 3.3036 3.3036 3.3357 3.3357 7.7111 7.7111 8.5908 8.5908 8.7441 8.7441 8.9632 8.9632 8.9920 8.9920 k = 0.0000 0.0000 0.0781 ( 14107 PWs) bands (ev): -19.0314 -19.0314 -18.9898 -18.9898 -15.4645 -15.4645 -15.3196 -15.3196 -14.7067 -14.7067 -14.7053 -14.7053 -4.4663 -4.4663 -4.2061 -4.2061 -3.4604 -3.4604 -3.3368 -3.3368 -3.3117 -3.3117 -3.1733 -3.1733 -2.9519 -2.9519 -2.8971 -2.8971 -2.4985 -2.4985 -2.2407 -2.2407 -2.1727 -2.1727 -2.0701 -2.0701 -0.8733 -0.8733 -0.8355 -0.8355 3.2024 3.2024 3.2202 3.2202 3.2993 3.2993 3.3295 3.3295 7.7283 7.7283 8.6001 8.6001 8.6939 8.6939 8.9676 8.9676 9.0054 9.0054 k = 0.0000 0.0000 0.0977 ( 14095 PWs) bands (ev): -19.0310 -19.0310 -18.9900 -18.9900 -15.4650 -15.4650 -15.3200 -15.3200 -14.7067 -14.7067 -14.7044 -14.7044 -4.4695 -4.4695 -4.2074 -4.2074 -3.4671 -3.4671 -3.3528 -3.3528 -3.3101 -3.3101 -3.1644 -3.1644 -2.9522 -2.9522 -2.8781 -2.8781 -2.5265 -2.5265 -2.2198 -2.2198 -2.1702 -2.1702 -2.0559 -2.0559 -0.8756 -0.8756 -0.8346 -0.8346 3.1976 3.1976 3.2215 3.2215 3.2938 3.2938 3.3217 3.3217 7.7503 7.7503 8.6119 8.6119 8.6441 8.6441 8.9720 8.9720 9.0233 9.0233 k = 0.0000 0.0000 0.1172 ( 14097 PWs) bands (ev): -19.0306 -19.0306 -18.9902 -18.9902 -15.4657 -15.4657 -15.3206 -15.3206 -14.7067 -14.7067 -14.7033 -14.7033 -4.4733 -4.4733 -4.2091 -4.2091 -3.4767 -3.4767 -3.3671 -3.3671 -3.3074 -3.3074 -3.1567 -3.1567 -2.9528 -2.9528 -2.8567 -2.8567 -2.5525 -2.5525 -2.2041 -2.2041 -2.1680 -2.1680 -2.0358 -2.0358 -0.8790 -0.8790 -0.8327 -0.8327 3.1918 3.1918 3.2229 3.2229 3.2872 3.2872 3.3124 3.3124 7.7768 7.7768 8.5954 8.5954 8.6261 8.6261 8.9769 8.9769 9.0451 9.0451 k = 0.0000 0.0000 0.1368 ( 14089 PWs) bands (ev): -19.0302 -19.0302 -18.9905 -18.9905 -15.4666 -15.4666 -15.3213 -15.3213 -14.7068 -14.7068 -14.7021 -14.7021 -4.4777 -4.4777 -4.2112 -4.2112 -3.4899 -3.4899 -3.3783 -3.3783 -3.3038 -3.3038 -3.1500 -3.1500 -2.9540 -2.9540 -2.8334 -2.8334 -2.5759 -2.5759 -2.1932 -2.1932 -2.1667 -2.1667 -2.0103 -2.0103 -0.8836 -0.8836 -0.8295 -0.8295 3.1849 3.1849 3.2242 3.2242 3.2797 3.2797 3.3019 3.3019 7.8075 7.8075 8.5485 8.5485 8.6425 8.6425 8.9823 8.9823 9.0706 9.0706 k = 0.0000 0.0000 0.1563 ( 14109 PWs) bands (ev): -19.0297 -19.0297 -18.9908 -18.9908 -15.4675 -15.4675 -15.3220 -15.3220 -14.7068 -14.7068 -14.7007 -14.7007 -4.4826 -4.4826 -4.2138 -4.2138 -3.5066 -3.5066 -3.3859 -3.3859 -3.2995 -3.2995 -3.1443 -3.1443 -2.9558 -2.9558 -2.8088 -2.8088 -2.5963 -2.5963 -2.1863 -2.1863 -2.1659 -2.1659 -1.9809 -1.9809 -0.8891 -0.8891 -0.8252 -0.8252 3.1768 3.1768 3.2251 3.2251 3.2715 3.2715 3.2904 3.2904 7.8421 7.8421 8.5035 8.5035 8.6609 8.6609 8.9882 8.9882 9.0995 9.0995 k = 0.0000 0.0000 0.1758 ( 14101 PWs) bands (ev): -19.0291 -19.0291 -18.9911 -18.9911 -15.4685 -15.4685 -15.3228 -15.3228 -14.7069 -14.7069 -14.6991 -14.6991 -4.4881 -4.4881 -4.2169 -4.2169 -3.5260 -3.5260 -3.3902 -3.3902 -3.2945 -3.2945 -3.1396 -3.1396 -2.9584 -2.9584 -2.7838 -2.7838 -2.6131 -2.6131 -2.1833 -2.1833 -2.1649 -2.1649 -1.9488 -1.9488 -0.8953 -0.8953 -0.8196 -0.8196 3.1676 3.1676 3.2246 3.2246 3.2632 3.2632 3.2785 3.2785 7.8801 7.8801 8.4611 8.4611 8.6811 8.6811 8.9947 8.9947 9.1317 9.1317 k = 0.0000 0.0000 0.1954 ( 14121 PWs) bands (ev): -19.0284 -19.0284 -18.9915 -18.9915 -15.4696 -15.4696 -15.3237 -15.3237 -14.7069 -14.7069 -14.6974 -14.6974 -4.4940 -4.4940 -4.2204 -4.2204 -3.5472 -3.5472 -3.3920 -3.3920 -3.2887 -3.2887 -3.1358 -3.1358 -2.9619 -2.9619 -2.7590 -2.7590 -2.6256 -2.6256 -2.1841 -2.1841 -2.1630 -2.1630 -1.9153 -1.9153 -0.9019 -0.9019 -0.8130 -0.8130 3.1573 3.1573 3.2210 3.2210 3.2560 3.2560 3.2669 3.2669 7.9206 7.9206 8.4219 8.4219 8.7030 8.7030 9.0016 9.0016 9.1658 9.1658 k = 0.0000 0.0000 0.2149 ( 14133 PWs) bands (ev): -19.0278 -19.0278 -18.9919 -18.9919 -15.4708 -15.4708 -15.3247 -15.3247 -14.7070 -14.7070 -14.6956 -14.6956 -4.5003 -4.5003 -4.2245 -4.2245 -3.5695 -3.5695 -3.3918 -3.3918 -3.2823 -3.2823 -3.1329 -3.1329 -2.9663 -2.9663 -2.7358 -2.7358 -2.6330 -2.6330 -2.1877 -2.1877 -2.1607 -2.1607 -1.8810 -1.8810 -0.9088 -0.9088 -0.8053 -0.8053 3.1459 3.1459 3.2123 3.2123 3.2496 3.2496 3.2581 3.2581 7.9625 7.9625 8.3871 8.3871 8.7261 8.7261 9.0090 9.0090 9.1562 9.1562 k = 0.0000 0.0000 0.2344 ( 14121 PWs) bands (ev): -19.0271 -19.0271 -18.9923 -18.9923 -15.4721 -15.4721 -15.3257 -15.3257 -14.7070 -14.7070 -14.6936 -14.6936 -4.5069 -4.5069 -4.2291 -4.2291 -3.5923 -3.5923 -3.3900 -3.3900 -3.2751 -3.2751 -3.1308 -3.1308 -2.9713 -2.9713 -2.7162 -2.7162 -2.6335 -2.6335 -2.1932 -2.1932 -2.1588 -2.1588 -1.8466 -1.8466 -0.9157 -0.9157 -0.7966 -0.7966 3.1333 3.1333 3.1987 3.1987 3.2402 3.2402 3.2559 3.2559 8.0035 8.0035 8.3586 8.3586 8.7501 8.7501 9.0166 9.0166 9.1312 9.1312 k = 0.0000 0.0000 0.2540 ( 14119 PWs) bands (ev): -19.0263 -19.0263 -18.9927 -18.9927 -15.4734 -15.4734 -15.3267 -15.3267 -14.7071 -14.7071 -14.6916 -14.6916 -4.5138 -4.5138 -4.2343 -4.2343 -3.6151 -3.6151 -3.3868 -3.3868 -3.2672 -3.2672 -3.1296 -3.1296 -2.9768 -2.9768 -2.7023 -2.7023 -2.6253 -2.6253 -2.2000 -2.2000 -2.1575 -2.1575 -1.8124 -1.8124 -0.9223 -0.9223 -0.7870 -0.7870 3.1196 3.1196 3.1819 3.1819 3.2295 3.2295 3.2574 3.2574 8.0399 8.0399 8.3401 8.3401 8.7747 8.7747 9.0244 9.0244 9.1054 9.1054 k = 0.0000 0.0000 0.2735 ( 14123 PWs) bands (ev): -19.0255 -19.0255 -18.9931 -18.9931 -15.4747 -15.4747 -15.3278 -15.3278 -14.7071 -14.7071 -14.6895 -14.6895 -4.5210 -4.5210 -4.2401 -4.2401 -3.6377 -3.6377 -3.3825 -3.3825 -3.2587 -3.2587 -3.1292 -3.1292 -2.9826 -2.9826 -2.6942 -2.6942 -2.6090 -2.6090 -2.2079 -2.2079 -2.1573 -2.1573 -1.7787 -1.7787 -0.9286 -0.9286 -0.7765 -0.7765 3.1049 3.1049 3.1629 3.1629 3.2188 3.2188 3.2601 3.2601 8.0659 8.0659 8.3369 8.3369 8.7992 8.7992 9.0323 9.0323 9.0796 9.0796 k = 0.0000 0.0000 0.2931 ( 14129 PWs) bands (ev): -19.0247 -19.0247 -18.9936 -18.9936 -15.4761 -15.4761 -15.3289 -15.3289 -14.7072 -14.7072 -14.6874 -14.6874 -4.5282 -4.5282 -4.2463 -4.2463 -3.6598 -3.6598 -3.3772 -3.3772 -3.2496 -3.2496 -3.1295 -3.1295 -2.9884 -2.9884 -2.6891 -2.6891 -2.5876 -2.5876 -2.2167 -2.2167 -2.1582 -2.1582 -1.7459 -1.7459 -0.9342 -0.9342 -0.7652 -0.7652 3.0893 3.0893 3.1425 3.1425 3.2083 3.2083 3.2636 3.2636 8.0766 8.0766 8.3541 8.3541 8.8229 8.8229 9.0394 9.0394 9.0554 9.0554 k = 0.0000 0.0000 0.3126 ( 14119 PWs) bands (ev): -19.0239 -19.0239 -18.9940 -18.9940 -15.4775 -15.4775 -15.3301 -15.3301 -14.7073 -14.7073 -14.6852 -14.6852 -4.5355 -4.5355 -4.2531 -4.2531 -3.6812 -3.6812 -3.3710 -3.3710 -3.2401 -3.2401 -3.1304 -3.1304 -2.9941 -2.9941 -2.6849 -2.6849 -2.5639 -2.5639 -2.2262 -2.2262 -2.1602 -2.1602 -1.7140 -1.7140 -0.9392 -0.9392 -0.7531 -0.7531 3.0729 3.0729 3.1211 3.1211 3.1981 3.1981 3.2675 3.2675 8.0722 8.0722 8.3908 8.3908 8.8444 8.8444 9.0290 9.0290 9.0504 9.0504 k = 0.0000 0.0000 0.3321 ( 14123 PWs) bands (ev): -19.0231 -19.0231 -18.9945 -18.9945 -15.4789 -15.4789 -15.3312 -15.3312 -14.7073 -14.7073 -14.6830 -14.6830 -4.5429 -4.5429 -4.2602 -4.2602 -3.7020 -3.7020 -3.3639 -3.3639 -3.2302 -3.2302 -3.1315 -3.1315 -2.9997 -2.9997 -2.6804 -2.6804 -2.5395 -2.5395 -2.2365 -2.2365 -2.1635 -2.1635 -1.6833 -1.6833 -0.9433 -0.9433 -0.7404 -0.7404 3.0557 3.0557 3.0991 3.0991 3.1882 3.1882 3.2715 3.2715 8.0579 8.0579 8.4417 8.4417 8.8617 8.8617 9.0103 9.0103 9.0580 9.0580 k = 0.0000 0.0000 0.3517 ( 14135 PWs) bands (ev): -19.0223 -19.0223 -18.9949 -18.9949 -15.4803 -15.4803 -15.3324 -15.3324 -14.7074 -14.7074 -14.6808 -14.6808 -4.5502 -4.5502 -4.2678 -4.2678 -3.7218 -3.7218 -3.3560 -3.3560 -3.2201 -3.2201 -3.1327 -3.1327 -3.0050 -3.0050 -2.6753 -2.6753 -2.5150 -2.5150 -2.2473 -2.2473 -2.1680 -2.1680 -1.6539 -1.6539 -0.9466 -0.9466 -0.7271 -0.7271 3.0381 3.0381 3.0766 3.0766 3.1787 3.1787 3.2757 3.2757 8.0385 8.0385 8.5016 8.5016 8.8709 8.8709 8.9986 8.9986 9.0660 9.0660 k = 0.0000 0.0000 0.3712 ( 14139 PWs) bands (ev): -19.0215 -19.0215 -18.9954 -18.9954 -15.4817 -15.4817 -15.3335 -15.3335 -14.7074 -14.7074 -14.6787 -14.6787 -4.5574 -4.5574 -4.2756 -4.2756 -3.7408 -3.7408 -3.3475 -3.3475 -3.2101 -3.2101 -3.1337 -3.1337 -3.0101 -3.0101 -2.6696 -2.6696 -2.4910 -2.4910 -2.2587 -2.2587 -2.1738 -2.1738 -1.6258 -1.6258 -0.9489 -0.9489 -0.7134 -0.7134 3.0201 3.0201 3.0541 3.0541 3.1695 3.1695 3.2800 3.2800 8.0170 8.0170 8.5674 8.5674 8.8688 8.8688 8.9977 8.9977 9.0740 9.0740 k = 0.0000 0.0000 0.3907 ( 14125 PWs) bands (ev): -19.0207 -19.0207 -18.9958 -18.9958 -15.4831 -15.4831 -15.3346 -15.3346 -14.7075 -14.7075 -14.6766 -14.6766 -4.5644 -4.5644 -4.2836 -4.2836 -3.7587 -3.7587 -3.3383 -3.3383 -3.2004 -3.2004 -3.1340 -3.1340 -3.0152 -3.0152 -2.6632 -2.6632 -2.4677 -2.4677 -2.2706 -2.2706 -2.1806 -2.1806 -1.5994 -1.5994 -0.9502 -0.9502 -0.6994 -0.6994 3.0019 3.0019 3.0316 3.0316 3.1607 3.1607 3.2843 3.2843 7.9950 7.9950 8.6370 8.6370 8.8566 8.8566 9.0064 9.0064 9.0821 9.0821 k = 0.0000 0.0000 0.4103 ( 14141 PWs) bands (ev): -19.0199 -19.0199 -18.9963 -18.9963 -15.4844 -15.4844 -15.3357 -15.3357 -14.7076 -14.7076 -14.6745 -14.6745 -4.5711 -4.5711 -4.2917 -4.2917 -3.7756 -3.7756 -3.3285 -3.3285 -3.1915 -3.1915 -3.1334 -3.1334 -3.0202 -3.0202 -2.6563 -2.6563 -2.4454 -2.4454 -2.2828 -2.2828 -2.1884 -2.1884 -1.5745 -1.5745 -0.9507 -0.9507 -0.6852 -0.6852 2.9838 2.9838 3.0096 3.0096 3.1524 3.1524 3.2885 3.2885 7.9734 7.9734 8.7090 8.7090 8.8386 8.8386 9.0202 9.0202 9.0902 9.0902 k = 0.0000 0.0000 0.4298 ( 14121 PWs) bands (ev): -19.0192 -19.0192 -18.9967 -18.9967 -15.4857 -15.4857 -15.3368 -15.3368 -14.7076 -14.7076 -14.6725 -14.6725 -4.5776 -4.5776 -4.2998 -4.2998 -3.7913 -3.7913 -3.3182 -3.3182 -3.1837 -3.1837 -3.1314 -3.1314 -3.0253 -3.0253 -2.6488 -2.6488 -2.4243 -2.4243 -2.2951 -2.2951 -2.1970 -2.1970 -1.5514 -1.5514 -0.9503 -0.9503 -0.6711 -0.6711 2.9657 2.9657 2.9882 2.9882 3.1445 3.1445 3.2926 3.2926 7.9527 7.9527 8.7826 8.7826 8.8183 8.8183 9.0356 9.0356 9.0986 9.0986 k = 0.0000 0.0000 0.4494 ( 14125 PWs) bands (ev): -19.0184 -19.0184 -18.9971 -18.9971 -15.4869 -15.4869 -15.3378 -15.3378 -14.7077 -14.7077 -14.6706 -14.6706 -4.5838 -4.5838 -4.3078 -4.3078 -3.8059 -3.8059 -3.3075 -3.3075 -3.1774 -3.1774 -3.1278 -3.1278 -3.0304 -3.0304 -2.6410 -2.6410 -2.4046 -2.4046 -2.3074 -2.3074 -2.2063 -2.2063 -1.5300 -1.5300 -0.9492 -0.9492 -0.6572 -0.6572 2.9480 2.9480 2.9677 2.9677 3.1371 3.1371 3.2965 3.2965 7.9332 7.9332 8.7967 8.7967 8.8577 8.8577 9.0505 9.0505 9.1073 9.1073 k = 0.0000 0.0000 0.4689 ( 14117 PWs) bands (ev): -19.0178 -19.0178 -18.9975 -18.9975 -15.4881 -15.4881 -15.3387 -15.3387 -14.7077 -14.7077 -14.6688 -14.6688 -4.5896 -4.5896 -4.3155 -4.3155 -3.8193 -3.8193 -3.2965 -3.2965 -3.1726 -3.1726 -3.1230 -3.1230 -3.0354 -3.0354 -2.6330 -2.6330 -2.3869 -2.3869 -2.3193 -2.3193 -2.2159 -2.2159 -1.5104 -1.5104 -0.9474 -0.9474 -0.6437 -0.6437 2.9307 2.9307 2.9484 2.9484 3.1302 3.1302 3.3002 3.3002 7.9152 7.9152 8.7762 8.7762 8.9323 8.9323 9.0638 9.0638 9.1167 9.1167 k = 0.0000 0.0000 0.4884 ( 14121 PWs) bands (ev): -19.0171 -19.0171 -18.9978 -18.9978 -15.4891 -15.4891 -15.3396 -15.3396 -14.7078 -14.7078 -14.6672 -14.6672 -4.5950 -4.5950 -4.3230 -4.3230 -3.8315 -3.8315 -3.2852 -3.2852 -3.1691 -3.1691 -3.1177 -3.1177 -3.0401 -3.0401 -2.6247 -2.6247 -2.3721 -2.3721 -2.3295 -2.3295 -2.2258 -2.2258 -1.4927 -1.4927 -0.9452 -0.9452 -0.6308 -0.6308 2.9140 2.9140 2.9305 2.9305 3.1239 3.1239 3.3038 3.3038 7.8987 7.8987 8.7566 8.7566 9.0063 9.0063 9.0751 9.0751 9.1267 9.1267 k = 0.0000 0.0000 0.5080 ( 14115 PWs) bands (ev): -19.0165 -19.0165 -18.9982 -18.9982 -15.4901 -15.4901 -15.3404 -15.3404 -14.7078 -14.7078 -14.6656 -14.6656 -4.5999 -4.5999 -4.3299 -4.3299 -3.8425 -3.8425 -3.2737 -3.2737 -3.1665 -3.1665 -3.1126 -3.1126 -3.0442 -3.0442 -2.6164 -2.6164 -2.3645 -2.3645 -2.3340 -2.3340 -2.2355 -2.2355 -1.4769 -1.4769 -0.9426 -0.9426 -0.6186 -0.6186 2.8981 2.8981 2.9143 2.9143 3.1182 3.1182 3.3070 3.3070 7.8838 7.8838 8.7384 8.7384 9.0756 9.0756 9.0872 9.0872 9.1376 9.1376 k = 0.0000 0.0000 0.5275 ( 14111 PWs) bands (ev): -19.0160 -19.0160 -18.9985 -18.9985 -15.4910 -15.4910 -15.3411 -15.3411 -14.7079 -14.7079 -14.6642 -14.6642 -4.6043 -4.6043 -4.3363 -4.3363 -3.8522 -3.8522 -3.2622 -3.2622 -3.1645 -3.1645 -3.1088 -3.1088 -3.0472 -3.0472 -2.6082 -2.6082 -2.3683 -2.3683 -2.3283 -2.3283 -2.2449 -2.2449 -1.4629 -1.4629 -0.9398 -0.9398 -0.6073 -0.6073 2.8833 2.8833 2.8998 2.8998 3.1131 3.1131 3.3100 3.3100 7.8707 7.8707 8.7219 8.7219 9.0900 9.0900 9.1388 9.1388 9.1596 9.1596 k = 0.0000 0.0000 0.5470 ( 14097 PWs) bands (ev): -19.0156 -19.0156 -18.9987 -18.9987 -15.4918 -15.4918 -15.3418 -15.3418 -14.7079 -14.7079 -14.6630 -14.6630 -4.6081 -4.6081 -4.3421 -4.3421 -3.8606 -3.8606 -3.2508 -3.2508 -3.1630 -3.1630 -3.1071 -3.1071 -3.0486 -3.0486 -2.6003 -2.6003 -2.3773 -2.3773 -2.3186 -2.3186 -2.2536 -2.2536 -1.4509 -1.4509 -0.9371 -0.9371 -0.5972 -0.5972 2.8698 2.8698 2.8871 2.8871 3.1086 3.1086 3.3126 3.3126 7.8592 7.8592 8.7073 8.7073 9.0957 9.0957 9.1534 9.1534 9.2223 9.2223 k = 0.0000 0.0000 0.5666 ( 14093 PWs) bands (ev): -19.0152 -19.0152 -18.9989 -18.9989 -15.4925 -15.4925 -15.3423 -15.3423 -14.7079 -14.7079 -14.6620 -14.6620 -4.6115 -4.6115 -4.3471 -4.3471 -3.8678 -3.8678 -3.2398 -3.2398 -3.1619 -3.1619 -3.1078 -3.1078 -3.0483 -3.0483 -2.5927 -2.5927 -2.3871 -2.3871 -2.3090 -2.3090 -2.2615 -2.2615 -1.4407 -1.4407 -0.9344 -0.9344 -0.5883 -0.5883 2.8579 2.8579 2.8763 2.8763 3.1047 3.1047 3.3148 3.3148 7.8495 7.8495 8.6947 8.6947 9.0999 9.0999 9.1622 9.1622 9.2855 9.2855 k = 0.0000 0.0000 0.5861 ( 14101 PWs) bands (ev): -19.0148 -19.0148 -18.9991 -18.9991 -15.4930 -15.4930 -15.3428 -15.3428 -14.7080 -14.7080 -14.6611 -14.6611 -4.6142 -4.6142 -4.3513 -4.3513 -3.8737 -3.8737 -3.2292 -3.2292 -3.1613 -3.1613 -3.1103 -3.1103 -3.0468 -3.0468 -2.5859 -2.5859 -2.3962 -2.3962 -2.3006 -2.3006 -2.2684 -2.2684 -1.4324 -1.4324 -0.9320 -0.9320 -0.5808 -0.5808 2.8479 2.8479 2.8673 2.8673 3.1016 3.1016 3.3167 3.3167 7.8415 7.8415 8.6842 8.6842 9.1032 9.1032 9.1693 9.1693 9.3426 9.3426 k = 0.0000 0.0000 0.6056 ( 14120 PWs) bands (ev): -19.0146 -19.0146 -18.9993 -18.9993 -15.4935 -15.4935 -15.3432 -15.3432 -14.7080 -14.7080 -14.6604 -14.6604 -4.6164 -4.6164 -4.3546 -4.3546 -3.8782 -3.8782 -3.2196 -3.2196 -3.1614 -3.1614 -3.1137 -3.1137 -3.0448 -3.0448 -2.5800 -2.5800 -2.4041 -2.4041 -2.2940 -2.2940 -2.2739 -2.2739 -1.4260 -1.4260 -0.9301 -0.9301 -0.5749 -0.5749 2.8399 2.8399 2.8603 2.8603 3.0991 3.0991 3.3182 3.3182 7.8353 7.8353 8.6760 8.6760 9.1055 9.1055 9.1748 9.1748 9.3896 9.3896 k = 0.0000 0.0000 0.6252 ( 14106 PWs) bands (ev): -19.0144 -19.0144 -18.9994 -18.9994 -15.4938 -15.4938 -15.3434 -15.3434 -14.7080 -14.7080 -14.6599 -14.6599 -4.6179 -4.6179 -4.3571 -4.3571 -3.8815 -3.8815 -3.2115 -3.2115 -3.1620 -3.1620 -3.1170 -3.1170 -3.0429 -3.0429 -2.5754 -2.5754 -2.4103 -2.4103 -2.2892 -2.2892 -2.2780 -2.2780 -1.4214 -1.4214 -0.9286 -0.9286 -0.5706 -0.5706 2.8341 2.8341 2.8552 2.8552 3.0973 3.0973 3.3193 3.3193 7.8309 7.8309 8.6700 8.6700 9.1071 9.1071 9.1788 9.1788 9.4187 9.4187 k = 0.0000 0.0000 0.6447 ( 14120 PWs) bands (ev): -19.0143 -19.0143 -18.9994 -18.9994 -15.4940 -15.4940 -15.3436 -15.3436 -14.7080 -14.7080 -14.6596 -14.6596 -4.6189 -4.6189 -4.3585 -4.3585 -3.8835 -3.8835 -3.2059 -3.2059 -3.1629 -3.1629 -3.1194 -3.1194 -3.0416 -3.0416 -2.5724 -2.5724 -2.4141 -2.4141 -2.2862 -2.2862 -2.2805 -2.2805 -1.4186 -1.4186 -0.9277 -0.9277 -0.5680 -0.5680 2.8305 2.8305 2.8521 2.8521 3.0962 3.0962 3.3199 3.3199 7.8282 7.8282 8.6665 8.6665 9.1081 9.1081 9.1812 9.1812 9.4268 9.4268 k = 0.0000 0.0000 0.6643 ( 14136 PWs) bands (ev): -19.0142 -19.0142 -18.9995 -18.9995 -15.4940 -15.4940 -15.3436 -15.3436 -14.7080 -14.7080 -14.6595 -14.6595 -4.6192 -4.6192 -4.3590 -4.3590 -3.8841 -3.8841 -3.2038 -3.2038 -3.1634 -3.1634 -3.1203 -3.1203 -3.0411 -3.0411 -2.5714 -2.5714 -2.4155 -2.4155 -2.2853 -2.2853 -2.2813 -2.2813 -1.4177 -1.4177 -0.9273 -0.9273 -0.5671 -0.5671 2.8294 2.8294 2.8511 2.8511 3.0959 3.0959 3.3201 3.3201 7.8273 7.8273 8.6653 8.6653 9.1084 9.1084 9.1820 9.1820 9.4277 9.4277 k = 0.0000 0.0000 0.6643 ( 14136 PWs) bands (ev): -19.0142 -19.0142 -18.9995 -18.9995 -15.4940 -15.4940 -15.3436 -15.3436 -14.7080 -14.7080 -14.6595 -14.6595 -4.6192 -4.6192 -4.3590 -4.3590 -3.8841 -3.8841 -3.2038 -3.2038 -3.1634 -3.1634 -3.1203 -3.1203 -3.0411 -3.0411 -2.5714 -2.5714 -2.4155 -2.4155 -2.2853 -2.2853 -2.2813 -2.2813 -1.4177 -1.4177 -0.9273 -0.9273 -0.5671 -0.5671 2.8294 2.8294 2.8511 2.8511 3.0959 3.0959 3.3201 3.3201 7.8273 7.8273 8.6653 8.6653 9.1084 9.1084 9.1820 9.1820 9.4277 9.4277 k =-0.0142 0.0124 0.6643 ( 14116 PWs) bands (ev): -19.0142 -19.0142 -18.9995 -18.9995 -15.4939 -15.4939 -15.3437 -15.3437 -14.7080 -14.7080 -14.6596 -14.6596 -4.6192 -4.6192 -4.3591 -4.3591 -3.8835 -3.8835 -3.2126 -3.2126 -3.1557 -3.1557 -3.1195 -3.1195 -3.0410 -3.0410 -2.5736 -2.5736 -2.4155 -2.4155 -2.2880 -2.2880 -2.2763 -2.2763 -1.4187 -1.4187 -0.9262 -0.9262 -0.5665 -0.5665 2.8302 2.8302 2.8515 2.8515 3.0958 3.0958 3.3187 3.3187 7.8290 7.8290 8.6613 8.6613 9.0976 9.0976 9.1759 9.1759 9.4417 9.4417 k =-0.0284 0.0249 0.6643 ( 14116 PWs) bands (ev): -19.0141 -19.0141 -18.9995 -18.9995 -15.4935 -15.4935 -15.3439 -15.3439 -14.7080 -14.7080 -14.6599 -14.6599 -4.6192 -4.6192 -4.3595 -4.3595 -3.8818 -3.8818 -3.2305 -3.2305 -3.1426 -3.1426 -3.1163 -3.1163 -3.0406 -3.0406 -2.5800 -2.5800 -2.4156 -2.4156 -2.2911 -2.2911 -2.2666 -2.2666 -1.4219 -1.4219 -0.9229 -0.9229 -0.5649 -0.5649 2.8325 2.8325 2.8529 2.8529 3.0956 3.0956 3.3144 3.3144 7.8340 7.8340 8.6497 8.6497 9.0679 9.0679 9.1608 9.1608 9.4780 9.4780 k =-0.0426 0.0373 0.6643 ( 14110 PWs) bands (ev): -19.0140 -19.0140 -18.9997 -18.9997 -15.4929 -15.4929 -15.3441 -15.3441 -14.7080 -14.7080 -14.6603 -14.6603 -4.6193 -4.6193 -4.3600 -4.3600 -3.8790 -3.8790 -3.2509 -3.2509 -3.1335 -3.1335 -3.1073 -3.1073 -3.0400 -3.0400 -2.5898 -2.5898 -2.4157 -2.4157 -2.2940 -2.2940 -2.2533 -2.2533 -1.4270 -1.4270 -0.9175 -0.9175 -0.5623 -0.5623 2.8365 2.8365 2.8550 2.8550 3.0954 3.0954 3.3073 3.3073 7.8423 7.8423 8.6309 8.6309 9.0255 9.0255 9.1403 9.1403 9.5059 9.5059 k =-0.0568 0.0497 0.6643 ( 14106 PWs) bands (ev): -19.0139 -19.0139 -18.9998 -18.9998 -15.4920 -15.4920 -15.3445 -15.3445 -14.7081 -14.7081 -14.6610 -14.6610 -4.6193 -4.6193 -4.3607 -4.3607 -3.8751 -3.8751 -3.2724 -3.2724 -3.1300 -3.1300 -3.0930 -3.0930 -3.0389 -3.0389 -2.6024 -2.6024 -2.4159 -2.4159 -2.2973 -2.2973 -2.2370 -2.2370 -1.4339 -1.4339 -0.9100 -0.9100 -0.5587 -0.5587 2.8419 2.8419 2.8581 2.8581 3.0950 3.0950 3.2975 3.2975 7.8537 7.8537 8.6057 8.6057 8.9763 8.9763 9.1151 9.1151 9.5230 9.5230 k =-0.0710 0.0621 0.6643 ( 14114 PWs) bands (ev): -19.0137 -19.0137 -19.0000 -19.0000 -15.4909 -15.4909 -15.3450 -15.3450 -14.7081 -14.7081 -14.6618 -14.6618 -4.6194 -4.6194 -4.3617 -4.3617 -3.8701 -3.8701 -3.2944 -3.2944 -3.1288 -3.1288 -3.0772 -3.0772 -3.0371 -3.0371 -2.6167 -2.6167 -2.4161 -2.4161 -2.3011 -2.3011 -2.2181 -2.2181 -1.4426 -1.4426 -0.9005 -0.9005 -0.5542 -0.5542 2.8488 2.8488 2.8621 2.8621 3.0944 3.0944 3.2851 3.2851 7.8681 7.8681 8.5750 8.5750 8.9240 8.9240 9.0853 9.0853 9.5439 9.5439 k =-0.0853 0.0746 0.6643 ( 14112 PWs) bands (ev): -19.0134 -19.0134 -19.0002 -19.0002 -15.4896 -15.4896 -15.3455 -15.3455 -14.7081 -14.7081 -14.6628 -14.6628 -4.6196 -4.6196 -4.3628 -4.3628 -3.8641 -3.8641 -3.3167 -3.3167 -3.1283 -3.1283 -3.0627 -3.0627 -3.0337 -3.0337 -2.6322 -2.6322 -2.4163 -2.4163 -2.3054 -2.3054 -2.1974 -2.1974 -1.4527 -1.4527 -0.8893 -0.8893 -0.5488 -0.5488 2.8569 2.8569 2.8671 2.8671 3.0938 3.0938 3.2703 3.2703 7.8853 7.8853 8.5397 8.5397 8.8703 8.8703 9.0511 9.0511 9.5683 9.5683 k =-0.0995 0.0870 0.6643 ( 14094 PWs) bands (ev): -19.0132 -19.0132 -19.0005 -19.0005 -15.4880 -15.4880 -15.3462 -15.3462 -14.7081 -14.7081 -14.6639 -14.6639 -4.6197 -4.6197 -4.3640 -4.3640 -3.8571 -3.8571 -3.3390 -3.3390 -3.1282 -3.1282 -3.0519 -3.0519 -3.0268 -3.0268 -2.6482 -2.6482 -2.4165 -2.4165 -2.3105 -2.3105 -2.1754 -2.1754 -1.4640 -1.4640 -0.8763 -0.8763 -0.5428 -0.5428 2.8656 2.8656 2.8735 2.8735 3.0930 3.0930 3.2532 3.2532 7.9051 7.9051 8.5007 8.5007 8.8165 8.8165 9.0127 9.0127 9.5945 9.5945 k =-0.1137 0.0994 0.6643 ( 14086 PWs) bands (ev): -19.0128 -19.0128 -19.0008 -19.0008 -15.4862 -15.4862 -15.3469 -15.3469 -14.7082 -14.7082 -14.6652 -14.6652 -4.6200 -4.6200 -4.3654 -4.3654 -3.8492 -3.8492 -3.3614 -3.3614 -3.1282 -3.1282 -3.0460 -3.0460 -3.0155 -3.0155 -2.6642 -2.6642 -2.4167 -2.4167 -2.3161 -2.3161 -2.1527 -2.1527 -1.4762 -1.4762 -0.8618 -0.8618 -0.5362 -0.5362 2.8741 2.8741 2.8822 2.8822 3.0920 3.0920 3.2340 3.2340 7.9272 7.9272 8.4589 8.4589 8.7630 8.7630 8.9702 8.9702 9.5552 9.5552 k =-0.1279 0.1118 0.6643 ( 14102 PWs) bands (ev): -19.0125 -19.0125 -19.0011 -19.0011 -15.4843 -15.4843 -15.3478 -15.3478 -14.7082 -14.7082 -14.6667 -14.6667 -4.6202 -4.6202 -4.3671 -4.3671 -3.8405 -3.8405 -3.3835 -3.3835 -3.1283 -3.1283 -3.0428 -3.0428 -3.0022 -3.0022 -2.6799 -2.6799 -2.4169 -2.4169 -2.3224 -2.3224 -2.1298 -2.1298 -1.4890 -1.4890 -0.8460 -0.8460 -0.5291 -0.5291 2.8817 2.8817 2.8935 2.8935 3.0908 3.0908 3.2131 3.2131 7.9513 7.9513 8.4151 8.4151 8.7102 8.7102 8.9238 8.9238 9.4790 9.4790 k =-0.1421 0.1243 0.6643 ( 14110 PWs) bands (ev): -19.0121 -19.0121 -19.0015 -19.0015 -15.4821 -15.4821 -15.3487 -15.3487 -14.7083 -14.7083 -14.6682 -14.6682 -4.6205 -4.6205 -4.3689 -4.3689 -3.8308 -3.8308 -3.4054 -3.4054 -3.1284 -3.1284 -3.0408 -3.0408 -2.9888 -2.9888 -2.6948 -2.6948 -2.4170 -2.4170 -2.3293 -2.3293 -2.1070 -2.1070 -1.5020 -1.5020 -0.8290 -0.8290 -0.5217 -0.5217 2.8893 2.8893 2.9064 2.9064 3.0894 3.0894 3.1909 3.1909 7.9770 7.9770 8.3700 8.3700 8.6586 8.6586 8.8739 8.8739 9.4025 9.4025 k =-0.1563 0.1367 0.6643 ( 14110 PWs) bands (ev): -19.0117 -19.0117 -19.0019 -19.0019 -15.4798 -15.4798 -15.3496 -15.3496 -14.7083 -14.7083 -14.6700 -14.6700 -4.6208 -4.6208 -4.3710 -4.3710 -3.8204 -3.8204 -3.4269 -3.4269 -3.1286 -3.1286 -3.0391 -3.0391 -2.9764 -2.9764 -2.7086 -2.7086 -2.4171 -2.4171 -2.3368 -2.3368 -2.0849 -2.0849 -1.5149 -1.5149 -0.8110 -0.8110 -0.5140 -0.5140 2.8972 2.8972 2.9204 2.9204 3.0875 3.0875 3.1678 3.1678 8.0039 8.0039 8.3241 8.3241 8.6082 8.6082 8.8206 8.8206 9.3265 9.3265 k =-0.1705 0.1491 0.6643 ( 14096 PWs) bands (ev): -19.0113 -19.0113 -19.0023 -19.0023 -15.4773 -15.4773 -15.3506 -15.3506 -14.7084 -14.7084 -14.6718 -14.6718 -4.6210 -4.6210 -4.3734 -4.3734 -3.8092 -3.8092 -3.4478 -3.4478 -3.1288 -3.1288 -3.0376 -3.0376 -2.9654 -2.9654 -2.7207 -2.7207 -2.4170 -2.4170 -2.3448 -2.3448 -2.0639 -2.0639 -1.5270 -1.5270 -0.7921 -0.7921 -0.5061 -0.5061 2.9055 2.9055 2.9347 2.9347 3.0848 3.0848 3.1447 3.1447 8.0316 8.0316 8.2780 8.2780 8.5593 8.5593 8.7643 8.7643 9.2514 9.2514 k =-0.1847 0.1616 0.6643 ( 14088 PWs) bands (ev): -19.0108 -19.0108 -19.0028 -19.0028 -15.4747 -15.4747 -15.3517 -15.3517 -14.7084 -14.7084 -14.6737 -14.6737 -4.6212 -4.6212 -4.3762 -4.3762 -3.7972 -3.7972 -3.4680 -3.4680 -3.1290 -3.1290 -3.0361 -3.0361 -2.9564 -2.9564 -2.7309 -2.7309 -2.4169 -2.4169 -2.3533 -2.3533 -2.0446 -2.0446 -1.5380 -1.5380 -0.7727 -0.7727 -0.4982 -0.4982 2.9141 2.9141 2.9488 2.9488 3.0806 3.0806 3.1233 3.1233 8.0596 8.0596 8.2319 8.2319 8.5120 8.5120 8.7055 8.7055 9.1776 9.1776 k =-0.1989 0.1740 0.6643 ( 14094 PWs) bands (ev): -19.0104 -19.0104 -19.0032 -19.0032 -15.4719 -15.4719 -15.3528 -15.3528 -14.7085 -14.7085 -14.6757 -14.6757 -4.6214 -4.6214 -4.3794 -4.3794 -3.7847 -3.7847 -3.4874 -3.4874 -3.1293 -3.1293 -3.0347 -3.0347 -2.9498 -2.9498 -2.7385 -2.7385 -2.4166 -2.4166 -2.3623 -2.3623 -2.0273 -2.0273 -1.5473 -1.5473 -0.7527 -0.7527 -0.4903 -0.4903 2.9230 2.9230 2.9610 2.9610 3.0732 3.0732 3.1068 3.1068 8.0875 8.0875 8.1864 8.1864 8.4664 8.4664 8.6445 8.6445 9.1054 9.1054 k =-0.2131 0.1864 0.6643 ( 14094 PWs) bands (ev): -19.0099 -19.0099 -19.0037 -19.0037 -15.4691 -15.4691 -15.3540 -15.3540 -14.7086 -14.7086 -14.6779 -14.6779 -4.6214 -4.6214 -4.3830 -4.3830 -3.7716 -3.7716 -3.5057 -3.5057 -3.1296 -3.1296 -3.0332 -3.0332 -2.9460 -2.9460 -2.7434 -2.7434 -2.4162 -2.4162 -2.3715 -2.3715 -2.0128 -2.0128 -1.5544 -1.5544 -0.7325 -0.7325 -0.4824 -0.4824 2.9320 2.9320 2.9683 2.9683 3.0636 3.0636 3.0974 3.0974 8.1143 8.1143 8.1419 8.1419 8.4227 8.4227 8.5819 8.5819 9.0349 9.0349 k =-0.2273 0.1988 0.6643 ( 14102 PWs) bands (ev): -19.0094 -19.0094 -19.0042 -19.0042 -15.4661 -15.4661 -15.3552 -15.3552 -14.7086 -14.7086 -14.6800 -14.6800 -4.6213 -4.6213 -4.3871 -4.3871 -3.7582 -3.7582 -3.5227 -3.5227 -3.1301 -3.1301 -3.0318 -3.0318 -2.9451 -2.9451 -2.7452 -2.7452 -2.4157 -2.4157 -2.3811 -2.3811 -2.0014 -2.0014 -1.5586 -1.5586 -0.7121 -0.7121 -0.4747 -0.4747 2.9409 2.9409 2.9658 2.9658 3.0595 3.0595 3.0928 3.0928 8.0971 8.0971 8.1413 8.1413 8.3808 8.3808 8.5182 8.5182 8.9663 8.9663 k =-0.2416 0.2113 0.6643 ( 14106 PWs) bands (ev): -19.0089 -19.0089 -19.0046 -19.0046 -15.4632 -15.4632 -15.3563 -15.3563 -14.7087 -14.7087 -14.6822 -14.6822 -4.6210 -4.6210 -4.3917 -4.3917 -3.7447 -3.7447 -3.5381 -3.5381 -3.1307 -3.1307 -3.0304 -3.0304 -2.9470 -2.9470 -2.7442 -2.7442 -2.4153 -2.4153 -2.3906 -2.3906 -1.9936 -1.9936 -1.5597 -1.5597 -0.6919 -0.6919 -0.4671 -0.4671 2.9459 2.9459 2.9557 2.9557 3.0647 3.0647 3.0905 3.0905 8.0546 8.0546 8.1655 8.1655 8.3410 8.3410 8.4541 8.4541 8.8999 8.8999 k =-0.2558 0.2237 0.6643 ( 14108 PWs) bands (ev): -19.0084 -19.0084 -19.0051 -19.0051 -15.4602 -15.4602 -15.3575 -15.3575 -14.7088 -14.7088 -14.6845 -14.6845 -4.6204 -4.6204 -4.3969 -4.3969 -3.7317 -3.7317 -3.5514 -3.5514 -3.1317 -3.1317 -3.0290 -3.0290 -2.9514 -2.9514 -2.7407 -2.7407 -2.4154 -2.4154 -2.3996 -2.3996 -1.9895 -1.9895 -1.5575 -1.5575 -0.6720 -0.6720 -0.4598 -0.4598 2.9276 2.9276 2.9615 2.9615 3.0745 3.0745 3.0915 3.0915 8.0133 8.0133 8.1877 8.1877 8.3033 8.3033 8.3901 8.3901 8.8358 8.8358 k =-0.2700 0.2361 0.6643 ( 14098 PWs) bands (ev): -19.0079 -19.0079 -19.0056 -19.0056 -15.4571 -15.4571 -15.3587 -15.3587 -14.7089 -14.7089 -14.6867 -14.6867 -4.6197 -4.6197 -4.4025 -4.4025 -3.7197 -3.7197 -3.5619 -3.5619 -3.1329 -3.1329 -3.0277 -3.0277 -2.9577 -2.9577 -2.7351 -2.7351 -2.4183 -2.4183 -2.4057 -2.4057 -1.9891 -1.9891 -1.5519 -1.5519 -0.6525 -0.6525 -0.4526 -0.4526 2.9026 2.9026 2.9705 2.9705 3.0793 3.0793 3.1013 3.1013 7.9735 7.9735 8.2073 8.2073 8.2675 8.2675 8.3271 8.3271 8.7741 8.7741 k =-0.2842 0.2486 0.6643 ( 14096 PWs) bands (ev): -19.0074 -19.0074 -19.0061 -19.0061 -15.4541 -15.4541 -15.3599 -15.3599 -14.7089 -14.7089 -14.6890 -14.6890 -4.6187 -4.6187 -4.4086 -4.4086 -3.7099 -3.7099 -3.5686 -3.5686 -3.1347 -3.1347 -3.0264 -3.0264 -2.9654 -2.9654 -2.7281 -2.7281 -2.4258 -2.4258 -2.4069 -2.4069 -1.9922 -1.9922 -1.5433 -1.5433 -0.6337 -0.6337 -0.4456 -0.4456 2.8759 2.8759 2.9797 2.9797 3.0793 3.0793 3.1177 3.1177 7.9352 7.9352 8.2241 8.2241 8.2332 8.2332 8.2661 8.2661 8.7150 8.7150 k =-0.2984 0.2610 0.6643 ( 14092 PWs) bands (ev): -19.0070 -19.0070 -19.0065 -19.0065 -15.4512 -15.4512 -15.3610 -15.3610 -14.7090 -14.7090 -14.6912 -14.6912 -4.6174 -4.6174 -4.4151 -4.4151 -3.7032 -3.7032 -3.5704 -3.5704 -3.1371 -3.1371 -3.0252 -3.0252 -2.9738 -2.9738 -2.7201 -2.7201 -2.4354 -2.4354 -2.4059 -2.4059 -1.9982 -1.9982 -1.5321 -1.5321 -0.6158 -0.6158 -0.4387 -0.4387 2.8489 2.8489 2.9887 2.9887 3.0781 3.0781 3.1360 3.1360 7.8986 7.8986 8.1949 8.1949 8.2129 8.2129 8.2379 8.2379 8.6587 8.6587 k =-0.3126 0.2734 0.6643 ( 14080 PWs) bands (ev): -19.0071 -19.0071 -19.0064 -19.0064 -15.4483 -15.4483 -15.3622 -15.3622 -14.7091 -14.7091 -14.6934 -14.6934 -4.6159 -4.6159 -4.4220 -4.4220 -3.7005 -3.7005 -3.5666 -3.5666 -3.1403 -3.1403 -3.0242 -3.0242 -2.9825 -2.9825 -2.7115 -2.7115 -2.4454 -2.4454 -2.4040 -2.4040 -2.0067 -2.0067 -1.5188 -1.5188 -0.5990 -0.5990 -0.4320 -0.4320 2.8221 2.8221 2.9975 2.9975 3.0767 3.0767 3.1549 3.1549 7.8637 7.8637 8.1423 8.1423 8.1790 8.1790 8.2484 8.2484 8.6052 8.6052 k =-0.3268 0.2858 0.6643 ( 14082 PWs) bands (ev): -19.0075 -19.0075 -19.0060 -19.0060 -15.4454 -15.4454 -15.3632 -15.3632 -14.7091 -14.7091 -14.6955 -14.6955 -4.6141 -4.6141 -4.4291 -4.4291 -3.7016 -3.7016 -3.5574 -3.5574 -3.1445 -3.1445 -3.0234 -3.0234 -2.9909 -2.9909 -2.7028 -2.7028 -2.4553 -2.4553 -2.4017 -2.4017 -2.0171 -2.0171 -1.5042 -1.5042 -0.5834 -0.5834 -0.4253 -0.4253 2.7961 2.7961 3.0060 3.0060 3.0753 3.0753 3.1736 3.1736 7.8306 7.8306 8.0880 8.0880 8.1520 8.1520 8.2557 8.2557 8.5546 8.5546 k =-0.3268 0.2858 0.6643 ( 14082 PWs) bands (ev): -19.0075 -19.0075 -19.0060 -19.0060 -15.4454 -15.4454 -15.3632 -15.3632 -14.7091 -14.7091 -14.6955 -14.6955 -4.6141 -4.6141 -4.4291 -4.4291 -3.7016 -3.7016 -3.5574 -3.5574 -3.1445 -3.1445 -3.0234 -3.0234 -2.9909 -2.9909 -2.7028 -2.7028 -2.4553 -2.4553 -2.4017 -2.4017 -2.0171 -2.0171 -1.5042 -1.5042 -0.5834 -0.5834 -0.4253 -0.4253 2.7961 2.7961 3.0060 3.0060 3.0753 3.0753 3.1736 3.1736 7.8306 7.8306 8.0880 8.0880 8.1520 8.1520 8.2557 8.2557 8.5546 8.5546 k =-0.3364 0.2943 0.6515 ( 14093 PWs) bands (ev): -19.0078 -19.0078 -19.0057 -19.0057 -15.4436 -15.4436 -15.3639 -15.3639 -14.7092 -14.7092 -14.6968 -14.6968 -4.6128 -4.6128 -4.4338 -4.4338 -3.7039 -3.7039 -3.5487 -3.5487 -3.1482 -3.1482 -3.0240 -3.0240 -2.9954 -2.9954 -2.6969 -2.6969 -2.4619 -2.4619 -2.3999 -2.3999 -2.0244 -2.0244 -1.4942 -1.4942 -0.5742 -0.5742 -0.4207 -0.4207 2.7794 2.7794 3.0108 3.0108 3.0750 3.0750 3.1859 3.1859 7.8102 7.8102 8.0532 8.0532 8.1333 8.1333 8.2622 8.2622 8.5228 8.5228 k =-0.3461 0.3027 0.6387 ( 14103 PWs) bands (ev): -19.0080 -19.0080 -19.0054 -19.0054 -15.4420 -15.4420 -15.3645 -15.3645 -14.7093 -14.7093 -14.6981 -14.6981 -4.6114 -4.6114 -4.4382 -4.4382 -3.7070 -3.7070 -3.5386 -3.5386 -3.1527 -3.1527 -3.0265 -3.0265 -2.9980 -2.9980 -2.6912 -2.6912 -2.4680 -2.4680 -2.3980 -2.3980 -2.0313 -2.0313 -1.4850 -1.4850 -0.5668 -0.5668 -0.4161 -0.4161 2.7643 2.7643 3.0140 3.0140 3.0762 3.0762 3.1973 3.1973 7.7927 7.7927 8.0212 8.0212 8.1138 8.1138 8.2715 8.2715 8.4939 8.4939 k =-0.3557 0.3111 0.6259 ( 14107 PWs) bands (ev): -19.0082 -19.0082 -19.0052 -19.0052 -15.4405 -15.4405 -15.3650 -15.3650 -14.7093 -14.7093 -14.6992 -14.6992 -4.6099 -4.6099 -4.4422 -4.4422 -3.7104 -3.7104 -3.5278 -3.5278 -3.1579 -3.1579 -3.0303 -3.0303 -2.9989 -2.9989 -2.6859 -2.6859 -2.4735 -2.4735 -2.3961 -2.3961 -2.0375 -2.0375 -1.4767 -1.4767 -0.5608 -0.5608 -0.4116 -0.4116 2.7508 2.7508 3.0158 3.0158 3.0785 3.0785 3.2077 3.2077 7.7781 7.7781 7.9924 7.9924 8.0955 8.0955 8.2816 8.2816 8.4680 8.4680 k =-0.3653 0.3195 0.6131 ( 14111 PWs) bands (ev): -19.0084 -19.0084 -19.0050 -19.0050 -15.4392 -15.4392 -15.3655 -15.3655 -14.7094 -14.7094 -14.7001 -14.7001 -4.6086 -4.6086 -4.4457 -4.4457 -3.7137 -3.7137 -3.5170 -3.5170 -3.1634 -3.1634 -3.0345 -3.0345 -2.9988 -2.9988 -2.6812 -2.6812 -2.4784 -2.4784 -2.3943 -2.3943 -2.0430 -2.0430 -1.4694 -1.4694 -0.5563 -0.5563 -0.4074 -0.4074 2.7391 2.7391 3.0166 3.0166 3.0814 3.0814 3.2169 3.2169 7.7661 7.7661 7.9671 7.9671 8.0793 8.0793 8.2916 8.2916 8.4453 8.4453 k =-0.3749 0.3279 0.6003 ( 14110 PWs) bands (ev): -19.0086 -19.0086 -19.0049 -19.0049 -15.4381 -15.4381 -15.3659 -15.3659 -14.7095 -14.7095 -14.7009 -14.7009 -4.6073 -4.6073 -4.4487 -4.4487 -3.7167 -3.7167 -3.5070 -3.5070 -3.1690 -3.1690 -3.0384 -3.0384 -2.9984 -2.9984 -2.6772 -2.6772 -2.4825 -2.4825 -2.3927 -2.3927 -2.0477 -2.0477 -1.4633 -1.4633 -0.5530 -0.5530 -0.4036 -0.4036 2.7294 2.7294 3.0166 3.0166 3.0845 3.0845 3.2246 3.2246 7.7568 7.7568 7.9457 7.9457 8.0657 8.0657 8.3010 8.3010 8.4258 8.4258 k =-0.3845 0.3363 0.5876 ( 14108 PWs) bands (ev): -19.0087 -19.0087 -19.0048 -19.0048 -15.4373 -15.4373 -15.3662 -15.3662 -14.7096 -14.7096 -14.7015 -14.7015 -4.6062 -4.6062 -4.4511 -4.4511 -3.7192 -3.7192 -3.4983 -3.4983 -3.1741 -3.1741 -3.0416 -3.0416 -2.9979 -2.9979 -2.6739 -2.6739 -2.4857 -2.4857 -2.3914 -2.3914 -2.0514 -2.0514 -1.4585 -1.4585 -0.5506 -0.5506 -0.4004 -0.4004 2.7217 2.7217 3.0164 3.0164 3.0874 3.0874 3.2307 3.2307 7.7499 7.7499 7.9285 7.9285 8.0549 8.0549 8.3093 8.3093 8.4096 8.4096 k =-0.3942 0.3447 0.5748 ( 14107 PWs) bands (ev): -19.0088 -19.0088 -19.0047 -19.0047 -15.4367 -15.4367 -15.3664 -15.3664 -14.7097 -14.7097 -14.7019 -14.7019 -4.6054 -4.6054 -4.4528 -4.4528 -3.7210 -3.7210 -3.4916 -3.4916 -3.1783 -3.1783 -3.0439 -3.0439 -2.9975 -2.9975 -2.6716 -2.6716 -2.4881 -2.4881 -2.3905 -2.3905 -2.0541 -2.0541 -1.4550 -1.4550 -0.5491 -0.5491 -0.3981 -0.3981 2.7161 2.7161 3.0160 3.0160 3.0896 3.0896 3.2352 3.2352 7.7452 7.7452 7.9159 7.9159 8.0471 8.0471 8.3163 8.3163 8.3972 8.3972 k =-0.4038 0.3532 0.5620 ( 14104 PWs) bands (ev): -19.0088 -19.0088 -19.0046 -19.0046 -15.4363 -15.4363 -15.3665 -15.3665 -14.7098 -14.7098 -14.7021 -14.7021 -4.6049 -4.6049 -4.4539 -4.4539 -3.7222 -3.7222 -3.4873 -3.4873 -3.1810 -3.1810 -3.0453 -3.0453 -2.9972 -2.9972 -2.6701 -2.6701 -2.4895 -2.4895 -2.3898 -2.3898 -2.0557 -2.0557 -1.4529 -1.4529 -0.5482 -0.5482 -0.3966 -0.3966 2.7128 2.7128 3.0158 3.0158 3.0910 3.0910 3.2380 3.2380 7.7425 7.7425 7.9082 7.9082 8.0424 8.0424 8.3212 8.3212 8.3890 8.3890 k =-0.4134 0.3616 0.5492 ( 14106 PWs) bands (ev): -19.0088 -19.0088 -19.0046 -19.0046 -15.4362 -15.4362 -15.3665 -15.3665 -14.7098 -14.7098 -14.7022 -14.7022 -4.6048 -4.6048 -4.4543 -4.4543 -3.7226 -3.7226 -3.4859 -3.4859 -3.1820 -3.1820 -3.0458 -3.0458 -2.9971 -2.9971 -2.6696 -2.6696 -2.4900 -2.4900 -2.3896 -2.3896 -2.0563 -2.0563 -1.4521 -1.4521 -0.5479 -0.5479 -0.3961 -0.3961 2.7117 2.7117 3.0157 3.0157 3.0915 3.0915 3.2389 3.2389 7.7416 7.7416 7.9056 7.9056 8.0408 8.0408 8.3230 8.3230 8.3861 8.3861 k =-0.4134 0.3616 0.5492 ( 14106 PWs) bands (ev): -19.0088 -19.0088 -19.0046 -19.0046 -15.4362 -15.4362 -15.3665 -15.3665 -14.7098 -14.7098 -14.7022 -14.7022 -4.6048 -4.6048 -4.4543 -4.4543 -3.7226 -3.7226 -3.4859 -3.4859 -3.1820 -3.1820 -3.0458 -3.0458 -2.9971 -2.9971 -2.6696 -2.6696 -2.4900 -2.4900 -2.3896 -2.3896 -2.0563 -2.0563 -1.4521 -1.4521 -0.5479 -0.5479 -0.3961 -0.3961 2.7117 2.7117 3.0157 3.0157 3.0915 3.0915 3.2389 3.2389 7.7416 7.7416 7.9056 7.9056 8.0408 8.0408 8.3230 8.3230 8.3861 8.3861 k =-0.4031 0.3525 0.5355 ( 14106 PWs) bands (ev): -19.0085 -19.0085 -19.0050 -19.0050 -15.4384 -15.4384 -15.3656 -15.3656 -14.7098 -14.7098 -14.7005 -14.7005 -4.6068 -4.6068 -4.4462 -4.4462 -3.7165 -3.7165 -3.5022 -3.5022 -3.1756 -3.1756 -3.0498 -3.0498 -2.9918 -2.9918 -2.6755 -2.6755 -2.4821 -2.4821 -2.3923 -2.3923 -2.0401 -2.0401 -1.4705 -1.4705 -0.5618 -0.5618 -0.4006 -0.4006 2.7326 2.7326 3.0060 3.0060 3.0978 3.0978 3.2242 3.2242 7.7753 7.7753 7.9413 7.9413 8.0419 8.0419 8.3515 8.3515 8.4224 8.4224 k =-0.3927 0.3435 0.5218 ( 14114 PWs) bands (ev): -19.0081 -19.0081 -19.0055 -19.0055 -15.4407 -15.4407 -15.3646 -15.3646 -14.7098 -14.7098 -14.6988 -14.6988 -4.6086 -4.6086 -4.4377 -4.4377 -3.7108 -3.7108 -3.5162 -3.5162 -3.1710 -3.1710 -3.0546 -3.0546 -2.9864 -2.9864 -2.6811 -2.6811 -2.4742 -2.4742 -2.3944 -2.3944 -2.0229 -2.0229 -1.4903 -1.4903 -0.5780 -0.5780 -0.4051 -0.4051 2.7551 2.7551 2.9960 2.9960 3.1047 3.1047 3.2090 3.2090 7.8123 7.8123 7.9799 7.9799 8.0420 8.0420 8.3839 8.3839 8.4617 8.4617 k =-0.3824 0.3345 0.5080 ( 14110 PWs) bands (ev): -19.0076 -19.0076 -19.0060 -19.0060 -15.4432 -15.4432 -15.3635 -15.3635 -14.7098 -14.7098 -14.6970 -14.6970 -4.6099 -4.6099 -4.4290 -4.4290 -3.7059 -3.7059 -3.5276 -3.5276 -3.1681 -3.1681 -3.0603 -3.0603 -2.9815 -2.9815 -2.6862 -2.6862 -2.4665 -2.4665 -2.3958 -2.3958 -2.0049 -2.0049 -1.5113 -1.5113 -0.5962 -0.5962 -0.4098 -0.4098 2.7789 2.7789 2.9860 2.9860 3.1121 3.1121 3.1936 3.1936 7.8524 7.8524 8.0209 8.0209 8.0417 8.0417 8.4200 8.4200 8.5036 8.5036 k =-0.3721 0.3254 0.4943 ( 14102 PWs) bands (ev): -19.0072 -19.0072 -19.0065 -19.0065 -15.4457 -15.4457 -15.3623 -15.3623 -14.7098 -14.7098 -14.6952 -14.6952 -4.6108 -4.6108 -4.4199 -4.4199 -3.7022 -3.7022 -3.5357 -3.5357 -3.1665 -3.1665 -3.0666 -3.0666 -2.9776 -2.9776 -2.6903 -2.6903 -2.4591 -2.4591 -2.3963 -2.3963 -1.9861 -1.9861 -1.5335 -1.5335 -0.6164 -0.6164 -0.4147 -0.4147 2.8036 2.8036 2.9761 2.9761 3.1199 3.1199 3.1783 3.1783 7.8955 7.8955 8.0385 8.0385 8.0665 8.0665 8.4593 8.4593 8.5479 8.5479 k =-0.3617 0.3164 0.4806 ( 14096 PWs) bands (ev): -19.0073 -19.0073 -19.0065 -19.0065 -15.4482 -15.4482 -15.3610 -15.3610 -14.7098 -14.7098 -14.6934 -14.6934 -4.6112 -4.6112 -4.4107 -4.4107 -3.7002 -3.7002 -3.5402 -3.5402 -3.1661 -3.1661 -3.0736 -3.0736 -2.9751 -2.9751 -2.6933 -2.6933 -2.4525 -2.4525 -2.3959 -2.3959 -1.9668 -1.9668 -1.5566 -1.5566 -0.6381 -0.6381 -0.4202 -0.4202 2.8292 2.8292 2.9668 2.9668 3.1281 3.1281 3.1633 3.1633 7.9413 7.9413 8.0368 8.0368 8.1123 8.1123 8.5013 8.5013 8.5940 8.5940 k =-0.3514 0.3073 0.4668 ( 14102 PWs) bands (ev): -19.0078 -19.0078 -19.0060 -19.0060 -15.4507 -15.4507 -15.3597 -15.3597 -14.7098 -14.7098 -14.6917 -14.6917 -4.6112 -4.6112 -4.4014 -4.4014 -3.6999 -3.6999 -3.5410 -3.5410 -3.1668 -3.1668 -3.0810 -3.0810 -2.9744 -2.9744 -2.6947 -2.6947 -2.4467 -2.4467 -2.3945 -2.3945 -1.9470 -1.9470 -1.5806 -1.5806 -0.6613 -0.6613 -0.4263 -0.4263 2.8553 2.8553 2.9581 2.9581 3.1364 3.1364 3.1491 3.1491 7.9896 7.9896 8.0345 8.0345 8.1602 8.1602 8.5452 8.5452 8.6416 8.6416 k =-0.3411 0.2983 0.4531 ( 14102 PWs) bands (ev): -19.0085 -19.0085 -19.0054 -19.0054 -15.4532 -15.4532 -15.3583 -15.3583 -14.7097 -14.7097 -14.6901 -14.6901 -4.6106 -4.6106 -4.3919 -4.3919 -3.7012 -3.7012 -3.5380 -3.5380 -3.1683 -3.1683 -3.0889 -3.0889 -2.9757 -2.9757 -2.6946 -2.6946 -2.4420 -2.4420 -2.3922 -2.3922 -1.9271 -1.9271 -1.6052 -1.6052 -0.6855 -0.6855 -0.4334 -0.4334 2.8816 2.8816 2.9504 2.9504 3.1352 3.1352 3.1454 3.1454 8.0319 8.0319 8.0406 8.0406 8.2094 8.2094 8.5903 8.5903 8.6902 8.6902 k =-0.3307 0.2893 0.4394 ( 14082 PWs) bands (ev): -19.0092 -19.0092 -19.0048 -19.0048 -15.4556 -15.4556 -15.3568 -15.3568 -14.7097 -14.7097 -14.6885 -14.6885 -4.6095 -4.6095 -4.3824 -4.3824 -3.7036 -3.7036 -3.5319 -3.5319 -3.1705 -3.1705 -3.0971 -3.0971 -2.9792 -2.9792 -2.6928 -2.6928 -2.4383 -2.4383 -2.3891 -2.3891 -1.9071 -1.9071 -1.6303 -1.6303 -0.7106 -0.7106 -0.4414 -0.4414 2.9079 2.9079 2.9439 2.9439 3.1230 3.1230 3.1540 3.1540 8.0300 8.0300 8.0930 8.0930 8.2596 8.2596 8.6354 8.6354 8.7394 8.7394 k =-0.3204 0.2802 0.4256 ( 14096 PWs) bands (ev): -19.0100 -19.0100 -19.0042 -19.0042 -15.4580 -15.4580 -15.3553 -15.3553 -14.7097 -14.7097 -14.6871 -14.6871 -4.6079 -4.6079 -4.3728 -4.3728 -3.7066 -3.7066 -3.5232 -3.5232 -3.1734 -3.1734 -3.1053 -3.1053 -2.9847 -2.9847 -2.6893 -2.6893 -2.4358 -2.4358 -2.3853 -2.3853 -1.8874 -1.8874 -1.6556 -1.6556 -0.7362 -0.7362 -0.4505 -0.4505 2.9324 2.9324 2.9403 2.9403 3.1119 3.1119 3.1628 3.1628 8.0284 8.0284 8.1474 8.1474 8.3103 8.3103 8.6794 8.6794 8.7886 8.7886 k =-0.3101 0.2712 0.4119 ( 14096 PWs) bands (ev): -19.0108 -19.0108 -19.0036 -19.0036 -15.4602 -15.4602 -15.3537 -15.3537 -14.7096 -14.7096 -14.6859 -14.6859 -4.6057 -4.6057 -4.3633 -4.3633 -3.7096 -3.7096 -3.5124 -3.5124 -3.1769 -3.1769 -3.1136 -3.1136 -2.9922 -2.9922 -2.6844 -2.6844 -2.4345 -2.4345 -2.3810 -2.3810 -1.8682 -1.8682 -1.6809 -1.6809 -0.7622 -0.7622 -0.4608 -0.4608 2.9337 2.9337 2.9611 2.9611 3.1023 3.1023 3.1716 3.1716 8.0275 8.0275 8.2033 8.2033 8.3609 8.3609 8.7204 8.7204 8.8372 8.8372 k =-0.2997 0.2621 0.3982 ( 14080 PWs) bands (ev): -19.0116 -19.0116 -19.0029 -19.0029 -15.4623 -15.4623 -15.3522 -15.3522 -14.7096 -14.7096 -14.6848 -14.6848 -4.6030 -4.6030 -4.3537 -4.3537 -3.7122 -3.7122 -3.5001 -3.5001 -3.1809 -3.1809 -3.1217 -3.1217 -3.0014 -3.0014 -2.6784 -2.6784 -2.4344 -2.4344 -2.3762 -2.3762 -1.8502 -1.8502 -1.7058 -1.7058 -0.7881 -0.7881 -0.4723 -0.4723 2.9316 2.9316 2.9862 2.9862 3.0944 3.0944 3.1804 3.1804 8.0275 8.0275 8.2604 8.2604 8.4109 8.4109 8.7565 8.7565 8.8844 8.8844 k =-0.2894 0.2531 0.3845 ( 14092 PWs) bands (ev): -19.0124 -19.0124 -19.0023 -19.0023 -15.4643 -15.4643 -15.3505 -15.3505 -14.7095 -14.7095 -14.6838 -14.6838 -4.5999 -4.5999 -4.3443 -4.3443 -3.7141 -3.7141 -3.4867 -3.4867 -3.1853 -3.1853 -3.1293 -3.1293 -3.0119 -3.0119 -2.6716 -2.6716 -2.4358 -2.4358 -2.3710 -2.3710 -1.8343 -1.8343 -1.7295 -1.7295 -0.8138 -0.8138 -0.4850 -0.4850 2.9310 2.9310 3.0107 3.0107 3.0882 3.0882 3.1890 3.1890 8.0286 8.0286 8.3183 8.3183 8.4598 8.4598 8.7849 8.7849 8.9294 8.9294 k =-0.2791 0.2441 0.3707 ( 14104 PWs) bands (ev): -19.0133 -19.0133 -19.0016 -19.0016 -15.4661 -15.4661 -15.3489 -15.3489 -14.7094 -14.7094 -14.6831 -14.6831 -4.5962 -4.5962 -4.3350 -4.3350 -3.7150 -3.7150 -3.4725 -3.4725 -3.1901 -3.1901 -3.1363 -3.1363 -3.0235 -3.0235 -2.6642 -2.6642 -2.4387 -2.4387 -2.3653 -2.3653 -1.8227 -1.8227 -1.7498 -1.7498 -0.8388 -0.8388 -0.4988 -0.4988 2.9322 2.9322 3.0344 3.0344 3.0839 3.0839 3.1974 3.1974 8.0309 8.0309 8.3766 8.3766 8.5069 8.5069 8.8029 8.8029 8.9713 8.9713 k =-0.2687 0.2350 0.3570 ( 14118 PWs) bands (ev): -19.0142 -19.0142 -19.0009 -19.0009 -15.4677 -15.4677 -15.3472 -15.3472 -14.7093 -14.7093 -14.6826 -14.6826 -4.5921 -4.5921 -4.3258 -4.3258 -3.7148 -3.7148 -3.4581 -3.4581 -3.1951 -3.1951 -3.1427 -3.1427 -3.0357 -3.0357 -2.6567 -2.6567 -2.4434 -2.4434 -2.3592 -2.3592 -1.8208 -1.8208 -1.7616 -1.7616 -0.8629 -0.8629 -0.5137 -0.5137 2.9351 2.9351 3.0568 3.0568 3.0815 3.0815 3.2056 3.2056 8.0348 8.0348 8.4351 8.4351 8.5517 8.5517 8.8078 8.8078 9.0089 9.0089 k =-0.2584 0.2260 0.3433 ( 14126 PWs) bands (ev): -19.0151 -19.0151 -19.0003 -19.0003 -15.4691 -15.4691 -15.3455 -15.3455 -14.7093 -14.7093 -14.6823 -14.6823 -4.5875 -4.5875 -4.3167 -4.3167 -3.7133 -3.7133 -3.4436 -3.4436 -3.2000 -3.2000 -3.1484 -3.1484 -3.0482 -3.0482 -2.6492 -2.6492 -2.4499 -2.4499 -2.3526 -2.3526 -1.8326 -1.8326 -1.7612 -1.7612 -0.8856 -0.8856 -0.5297 -0.5297 2.9399 2.9399 3.0775 3.0775 3.0816 3.0816 3.2135 3.2135 8.0402 8.0402 8.4934 8.4934 8.5935 8.5935 8.7984 8.7984 9.0412 9.0412 k =-0.2480 0.2169 0.3295 ( 14126 PWs) bands (ev): -19.0161 -19.0161 -18.9996 -18.9996 -15.4703 -15.4703 -15.3439 -15.3439 -14.7092 -14.7092 -14.6822 -14.6822 -4.5825 -4.5825 -4.3079 -4.3079 -3.7105 -3.7105 -3.4296 -3.4296 -3.2045 -3.2045 -3.1533 -3.1533 -3.0605 -3.0605 -2.6422 -2.6422 -2.4583 -2.4583 -2.3455 -2.3455 -1.8521 -1.8521 -1.7548 -1.7548 -0.9066 -0.9066 -0.5465 -0.5465 2.9466 2.9466 3.0821 3.0821 3.0984 3.0984 3.2210 3.2210 8.0473 8.0473 8.5510 8.5510 8.6318 8.6318 8.7747 8.7747 9.0670 9.0670 k =-0.2377 0.2079 0.3158 ( 14114 PWs) bands (ev): -19.0170 -19.0170 -18.9989 -18.9989 -15.4713 -15.4713 -15.3422 -15.3422 -14.7091 -14.7091 -14.6823 -14.6823 -4.5772 -4.5772 -4.2993 -4.2993 -3.7063 -3.7063 -3.4166 -3.4166 -3.2082 -3.2082 -3.1579 -3.1579 -3.0721 -3.0721 -2.6358 -2.6358 -2.4687 -2.4687 -2.3380 -2.3380 -1.8739 -1.8739 -1.7481 -1.7481 -0.9254 -0.9254 -0.5641 -0.5641 2.9549 2.9549 3.0854 3.0854 3.1168 3.1168 3.2283 3.2283 8.0561 8.0561 8.6073 8.6073 8.6663 8.6663 8.7389 8.7389 9.0852 9.0852 k =-0.2274 0.1989 0.3021 ( 14132 PWs) bands (ev): -19.0180 -19.0180 -18.9982 -18.9982 -15.4721 -15.4721 -15.3405 -15.3405 -14.7090 -14.7090 -14.6826 -14.6826 -4.5715 -4.5715 -4.2909 -4.2909 -3.7007 -3.7007 -3.4049 -3.4049 -3.2108 -3.2108 -3.1624 -3.1624 -3.0823 -3.0823 -2.6303 -2.6303 -2.4810 -2.4810 -2.3301 -2.3301 -1.8960 -1.8960 -1.7432 -1.7432 -0.9417 -0.9417 -0.5824 -0.5824 2.9650 2.9650 3.0905 3.0905 3.1337 3.1337 3.2351 3.2351 8.0667 8.0667 8.6598 8.6598 8.6944 8.6944 8.6976 8.6976 9.0954 9.0954 k =-0.2170 0.1898 0.2883 ( 14132 PWs) bands (ev): -19.0189 -19.0189 -18.9976 -18.9976 -15.4726 -15.4726 -15.3389 -15.3389 -14.7088 -14.7088 -14.6832 -14.6832 -4.5654 -4.5654 -4.2828 -4.2828 -3.6938 -3.6938 -3.3952 -3.3952 -3.2118 -3.2118 -3.1672 -3.1672 -3.0902 -3.0902 -2.6258 -2.6258 -2.4951 -2.4951 -2.3220 -2.3220 -1.9178 -1.9178 -1.7412 -1.7412 -0.9552 -0.9552 -0.6011 -0.6011 2.9766 2.9766 3.0974 3.0974 3.1491 3.1491 3.2415 3.2415 8.0789 8.0789 8.6383 8.6383 8.7098 8.7098 8.7296 8.7296 9.0973 9.0973 k =-0.2067 0.1808 0.2746 ( 14156 PWs) bands (ev): -19.0199 -19.0199 -18.9969 -18.9969 -15.4730 -15.4730 -15.3373 -15.3373 -14.7087 -14.7087 -14.6839 -14.6839 -4.5592 -4.5592 -4.2750 -4.2750 -3.6855 -3.6855 -3.3877 -3.3877 -3.2115 -3.2115 -3.1730 -3.1730 -3.0948 -3.0948 -2.6225 -2.6225 -2.5111 -2.5111 -2.3136 -2.3136 -1.9387 -1.9387 -1.7427 -1.7427 -0.9656 -0.9656 -0.6200 -0.6200 2.9896 2.9896 3.1058 3.1058 3.1629 3.1629 3.2476 3.2476 8.0925 8.0925 8.5818 8.5818 8.7347 8.7347 8.7759 8.7759 9.0917 9.0917 k =-0.1964 0.1717 0.2609 ( 14159 PWs) bands (ev): -19.0209 -19.0209 -18.9963 -18.9963 -15.4732 -15.4732 -15.3357 -15.3357 -14.7086 -14.7086 -14.6848 -14.6848 -4.5527 -4.5527 -4.2676 -4.2676 -3.6758 -3.6758 -3.3826 -3.3826 -3.2101 -3.2101 -3.1796 -3.1796 -3.0954 -3.0954 -2.6205 -2.6205 -2.5286 -2.5286 -2.3051 -2.3051 -1.9586 -1.9586 -1.7479 -1.7479 -0.9727 -0.9727 -0.6391 -0.6391 3.0039 3.0039 3.1157 3.1157 3.1751 3.1751 3.2532 3.2532 8.1069 8.1069 8.5230 8.5230 8.7496 8.7496 8.8253 8.8253 9.0797 9.0797 k =-0.1860 0.1627 0.2471 ( 14153 PWs) bands (ev): -19.0218 -19.0218 -18.9957 -18.9957 -15.4732 -15.4732 -15.3341 -15.3341 -14.7085 -14.7085 -14.6858 -14.6858 -4.5460 -4.5460 -4.2605 -4.2605 -3.6648 -3.6648 -3.3797 -3.3797 -3.2092 -3.2092 -3.1862 -3.1862 -3.0916 -3.0916 -2.6199 -2.6199 -2.5475 -2.5475 -2.2966 -2.2966 -1.9774 -1.9774 -1.7570 -1.7570 -0.9765 -0.9765 -0.6582 -0.6582 3.0192 3.0192 3.1269 3.1269 3.1858 3.1858 3.2584 3.2584 8.1211 8.1211 8.4650 8.4650 8.7584 8.7584 8.8734 8.8734 9.0629 9.0629 k =-0.1757 0.1537 0.2334 ( 14117 PWs) bands (ev): -19.0227 -19.0227 -18.9951 -18.9951 -15.4731 -15.4731 -15.3326 -15.3326 -14.7083 -14.7083 -14.6870 -14.6870 -4.5392 -4.5392 -4.2538 -4.2538 -3.6525 -3.6525 -3.3786 -3.3786 -3.2116 -3.2116 -3.1898 -3.1898 -3.0838 -3.0838 -2.6211 -2.6211 -2.5673 -2.5673 -2.2880 -2.2880 -1.9948 -1.9948 -1.7700 -1.7700 -0.9772 -0.9772 -0.6770 -0.6770 3.0353 3.0353 3.1394 3.1394 3.1949 3.1949 3.2633 3.2633 8.1327 8.1327 8.4114 8.4114 8.7620 8.7620 8.9193 8.9193 9.0429 9.0429 k =-0.1654 0.1446 0.2197 ( 14125 PWs) bands (ev): -19.0236 -19.0236 -18.9945 -18.9945 -15.4728 -15.4728 -15.3312 -15.3312 -14.7082 -14.7082 -14.6884 -14.6884 -4.5324 -4.5324 -4.2475 -4.2475 -3.6390 -3.6390 -3.3790 -3.3790 -3.2187 -3.2187 -3.1892 -3.1892 -3.0725 -3.0725 -2.6249 -2.6249 -2.5866 -2.5866 -2.2796 -2.2796 -2.0110 -2.0110 -1.7867 -1.7867 -0.9750 -0.9750 -0.6953 -0.6953 3.0520 3.0520 3.1527 3.1527 3.2026 3.2026 3.2678 3.2678 8.1370 8.1370 8.3680 8.3680 8.7608 8.7608 8.9628 8.9628 9.0214 9.0214 k =-0.1550 0.1356 0.2060 ( 14123 PWs) bands (ev): -19.0245 -19.0245 -18.9939 -18.9939 -15.4723 -15.4723 -15.3298 -15.3298 -14.7081 -14.7081 -14.6898 -14.6898 -4.5255 -4.5255 -4.2416 -4.2416 -3.6244 -3.6244 -3.3802 -3.3802 -3.2282 -3.2282 -3.1865 -3.1865 -3.0586 -3.0586 -2.6346 -2.6346 -2.6019 -2.6019 -2.2714 -2.2714 -2.0259 -2.0259 -1.8067 -1.8067 -0.9703 -0.9703 -0.7131 -0.7131 3.0690 3.0690 3.1669 3.1669 3.2090 3.2090 3.2721 3.2721 8.1273 8.1273 8.3424 8.3424 8.7554 8.7554 8.9952 8.9952 9.0079 9.0079 k =-0.1447 0.1266 0.1922 ( 14131 PWs) bands (ev): -19.0254 -19.0254 -18.9934 -18.9934 -15.4717 -15.4717 -15.3285 -15.3285 -14.7079 -14.7079 -14.6913 -14.6913 -4.5187 -4.5187 -4.2362 -4.2362 -3.6087 -3.6087 -3.3818 -3.3818 -3.2384 -3.2384 -3.1831 -3.1831 -3.0429 -3.0429 -2.6528 -2.6528 -2.6098 -2.6098 -2.2634 -2.2634 -2.0397 -2.0397 -1.8297 -1.8297 -0.9634 -0.9634 -0.7301 -0.7301 3.0859 3.0859 3.1815 3.1815 3.2140 3.2140 3.2761 3.2761 8.1001 8.1001 8.3387 8.3387 8.7464 8.7464 8.9762 8.9762 9.0438 9.0438 k =-0.1344 0.1175 0.1785 ( 14135 PWs) bands (ev): -19.0262 -19.0262 -18.9929 -18.9929 -15.4711 -15.4711 -15.3272 -15.3272 -14.7078 -14.7078 -14.6929 -14.6929 -4.5120 -4.5120 -4.2312 -4.2312 -3.5920 -3.5920 -3.3834 -3.3834 -3.2486 -3.2486 -3.1797 -3.1797 -3.0264 -3.0264 -2.6762 -2.6762 -2.6128 -2.6128 -2.2559 -2.2559 -2.0524 -2.0524 -1.8553 -1.8553 -0.9549 -0.9549 -0.7463 -0.7463 3.1026 3.1026 3.1964 3.1964 3.2180 3.2180 3.2801 3.2801 8.0604 8.0604 8.3524 8.3524 8.7345 8.7345 8.9560 8.9560 9.0797 9.0797 k =-0.1240 0.1085 0.1648 ( 14149 PWs) bands (ev): -19.0270 -19.0270 -18.9924 -18.9924 -15.4703 -15.4703 -15.3260 -15.3260 -14.7077 -14.7077 -14.6945 -14.6945 -4.5055 -4.5055 -4.2267 -4.2267 -3.5746 -3.5746 -3.3847 -3.3847 -3.2585 -3.2585 -3.1765 -3.1765 -3.0100 -3.0100 -2.7019 -2.7019 -2.6131 -2.6131 -2.2487 -2.2487 -2.0642 -2.0642 -1.8828 -1.8828 -0.9453 -0.9453 -0.7614 -0.7614 3.1187 3.1187 3.2110 3.2110 3.2213 3.2213 3.2841 3.2841 8.0152 8.0152 8.3768 8.3768 8.7203 8.7203 8.9377 8.9377 9.1130 9.1130 k =-0.1137 0.0994 0.1510 ( 14149 PWs) bands (ev): -19.0277 -19.0277 -18.9919 -18.9919 -15.4696 -15.4696 -15.3249 -15.3249 -14.7075 -14.7075 -14.6961 -14.6961 -4.4991 -4.4991 -4.2227 -4.2227 -3.5567 -3.5567 -3.3853 -3.3853 -3.2677 -3.2677 -3.1734 -3.1734 -2.9946 -2.9946 -2.7286 -2.7286 -2.6107 -2.6107 -2.2422 -2.2422 -2.0753 -2.0753 -1.9118 -1.9118 -0.9349 -0.9349 -0.7755 -0.7755 3.1340 3.1340 3.2206 3.2206 3.2284 3.2284 3.2883 3.2883 7.9689 7.9689 8.4078 8.4078 8.7046 8.7046 8.9218 8.9218 9.1437 9.1437 k =-0.1034 0.0904 0.1373 ( 14133 PWs) bands (ev): -19.0284 -19.0284 -18.9915 -18.9915 -15.4687 -15.4687 -15.3239 -15.3239 -14.7074 -14.7074 -14.6977 -14.6977 -4.4931 -4.4931 -4.2191 -4.2191 -3.5386 -3.5386 -3.3849 -3.3849 -3.2763 -3.2763 -3.1708 -3.1708 -2.9809 -2.9809 -2.7558 -2.7558 -2.6053 -2.6053 -2.2364 -2.2364 -2.0861 -2.0861 -1.9416 -1.9416 -0.9241 -0.9241 -0.7883 -0.7883 3.1482 3.1482 3.2227 3.2227 3.2417 3.2417 3.2928 3.2928 7.9239 7.9239 8.4433 8.4433 8.6879 8.6879 8.9089 8.9089 9.1714 9.1714 k =-0.0930 0.0814 0.1236 ( 14131 PWs) bands (ev): -19.0291 -19.0291 -18.9912 -18.9912 -15.4679 -15.4679 -15.3229 -15.3229 -14.7073 -14.7073 -14.6992 -14.6992 -4.4874 -4.4874 -4.2159 -4.2159 -3.5208 -3.5208 -3.3831 -3.3831 -3.2841 -3.2841 -3.1688 -3.1688 -2.9696 -2.9696 -2.7830 -2.7830 -2.5964 -2.5964 -2.2315 -2.2315 -2.0971 -2.0971 -1.9712 -1.9712 -0.9135 -0.9135 -0.7998 -0.7998 3.1611 3.1611 3.2232 3.2232 3.2550 3.2550 3.2978 3.2978 7.8815 7.8815 8.4820 8.4820 8.6710 8.6710 8.8993 8.8993 9.1959 9.1959 k =-0.0827 0.0723 0.1098 ( 14101 PWs) bands (ev): -19.0297 -19.0297 -18.9908 -18.9908 -15.4671 -15.4671 -15.3221 -15.3221 -14.7072 -14.7072 -14.7006 -14.7006 -4.4822 -4.4822 -4.2132 -4.2132 -3.5041 -3.5041 -3.3793 -3.3793 -3.2910 -3.2910 -3.1676 -3.1676 -2.9610 -2.9610 -2.8095 -2.8095 -2.5837 -2.5837 -2.2279 -2.2279 -2.1088 -2.1088 -1.9996 -1.9996 -0.9034 -0.9034 -0.8098 -0.8098 3.1725 3.1725 3.2231 3.2231 3.2671 3.2671 3.3034 3.3034 7.8425 7.8425 8.5232 8.5232 8.6543 8.6543 8.8930 8.8930 9.2154 9.2154 k =-0.0723 0.0633 0.0961 ( 14089 PWs) bands (ev): -19.0302 -19.0302 -18.9905 -18.9905 -15.4663 -15.4663 -15.3213 -15.3213 -14.7071 -14.7071 -14.7020 -14.7020 -4.4773 -4.4773 -4.2108 -4.2108 -3.4891 -3.4891 -3.3729 -3.3729 -3.2970 -3.2970 -3.1675 -3.1675 -2.9552 -2.9552 -2.8350 -2.8350 -2.5670 -2.5670 -2.2261 -2.2261 -2.1222 -2.1222 -2.0251 -2.0251 -0.8942 -0.8942 -0.8184 -0.8184 3.1823 3.1823 3.2226 3.2226 3.2777 3.2777 3.3098 3.3098 7.8073 7.8073 8.5664 8.5664 8.6384 8.6384 8.8905 8.8905 9.2187 9.2187 k =-0.0620 0.0542 0.0824 ( 14089 PWs) bands (ev): -19.0306 -19.0306 -18.9902 -18.9902 -15.4656 -15.4656 -15.3206 -15.3206 -14.7070 -14.7070 -14.7032 -14.7032 -4.4731 -4.4731 -4.2089 -4.2089 -3.4767 -3.4767 -3.3634 -3.3634 -3.3020 -3.3020 -3.1689 -3.1689 -2.9518 -2.9518 -2.8587 -2.8587 -2.5466 -2.5466 -2.2272 -2.2272 -2.1373 -2.1373 -2.0462 -2.0462 -0.8862 -0.8862 -0.8252 -0.8252 3.1904 3.1904 3.2218 3.2218 3.2865 3.2865 3.3167 3.3167 7.7764 7.7764 8.6112 8.6112 8.6237 8.6237 8.8916 8.8916 9.1885 9.1885 k =-0.0517 0.0452 0.0687 ( 14097 PWs) bands (ev): -19.0310 -19.0310 -18.9900 -18.9900 -15.4650 -15.4650 -15.3200 -15.3200 -14.7070 -14.7070 -14.7042 -14.7042 -4.4694 -4.4694 -4.2073 -4.2073 -3.4672 -3.4672 -3.3510 -3.3510 -3.3059 -3.3059 -3.1721 -3.1721 -2.9505 -2.9505 -2.8802 -2.8802 -2.5228 -2.5228 -2.2332 -2.2332 -2.1529 -2.1529 -2.0620 -2.0620 -0.8798 -0.8798 -0.8303 -0.8303 3.1971 3.1971 3.2208 3.2208 3.2936 3.2936 3.3238 3.3238 7.7499 7.7499 8.6106 8.6106 8.6572 8.6572 8.8966 8.8966 9.1476 9.1476 k =-0.0413 0.0362 0.0549 ( 14089 PWs) bands (ev): -19.0314 -19.0314 -18.9898 -18.9898 -15.4644 -15.4644 -15.3196 -15.3196 -14.7069 -14.7069 -14.7051 -14.7051 -4.4662 -4.4662 -4.2060 -4.2060 -3.4605 -3.4605 -3.3368 -3.3368 -3.3082 -3.3082 -3.1775 -3.1775 -2.9504 -2.9504 -2.8987 -2.8987 -2.4963 -2.4963 -2.2468 -2.2468 -2.1655 -2.1655 -2.0730 -2.0730 -0.8753 -0.8753 -0.8334 -0.8334 3.2022 3.2022 3.2199 3.2199 3.2993 3.2993 3.3304 3.3304 7.7280 7.7280 8.5995 8.5995 8.7040 8.7040 8.9053 8.9053 9.1053 9.1053 k =-0.0310 0.0271 0.0412 ( 14095 PWs) bands (ev): -19.0316 -19.0316 -18.9897 -18.9897 -15.4640 -15.4640 -15.3192 -15.3192 -14.7069 -14.7069 -14.7058 -14.7058 -4.4638 -4.4638 -4.2050 -4.2050 -3.4561 -3.4561 -3.3245 -3.3245 -3.3065 -3.3065 -3.1849 -3.1849 -2.9509 -2.9509 -2.9138 -2.9138 -2.4679 -2.4679 -2.2682 -2.2682 -2.1730 -2.1730 -2.0803 -2.0803 -0.8726 -0.8726 -0.8348 -0.8348 3.2061 3.2061 3.2191 3.2191 3.3037 3.3037 3.3360 3.3360 7.7108 7.7108 8.5906 8.5906 8.7509 8.7509 8.9175 8.9175 9.0628 9.0628 k =-0.0207 0.0181 0.0275 ( 14107 PWs) bands (ev): -19.0318 -19.0318 -18.9896 -18.9896 -15.4637 -15.4637 -15.3189 -15.3189 -14.7069 -14.7069 -14.7063 -14.7063 -4.4620 -4.4620 -4.2044 -4.2044 -3.4533 -3.4533 -3.3200 -3.3200 -3.2968 -3.2968 -3.1936 -3.1936 -2.9513 -2.9513 -2.9252 -2.9252 -2.4388 -2.4388 -2.2944 -2.2944 -2.1768 -2.1768 -2.0849 -2.0849 -0.8714 -0.8714 -0.8351 -0.8351 3.2087 3.2087 3.2184 3.2184 3.3068 3.3068 3.3402 3.3402 7.6985 7.6985 8.5840 8.5840 8.7967 8.7967 8.9322 8.9322 9.0215 9.0215 k =-0.0103 0.0090 0.0137 ( 14115 PWs) bands (ev): -19.0319 -19.0319 -18.9895 -18.9895 -15.4635 -15.4635 -15.3188 -15.3188 -14.7069 -14.7069 -14.7066 -14.7066 -4.4610 -4.4610 -4.2040 -4.2040 -3.4519 -3.4519 -3.3196 -3.3196 -3.2858 -3.2858 -3.2015 -3.2015 -2.9513 -2.9513 -2.9325 -2.9325 -2.4118 -2.4118 -2.3205 -2.3205 -2.1784 -2.1784 -2.0875 -2.0875 -0.8710 -0.8710 -0.8349 -0.8349 3.2102 3.2102 3.2180 3.2180 3.3087 3.3087 3.3428 3.3428 7.6911 7.6911 8.5800 8.5800 8.8375 8.8375 8.9440 8.9440 8.9890 8.9890 k = 0.0000 0.0000 0.0000 ( 14117 PWs) bands (ev): -19.0319 -19.0319 -18.9895 -18.9895 -15.4634 -15.4634 -15.3187 -15.3187 -14.7070 -14.7070 -14.7066 -14.7066 -4.4606 -4.4606 -4.2038 -4.2038 -3.4514 -3.4514 -3.3196 -3.3196 -3.2810 -3.2810 -3.2050 -3.2050 -2.9512 -2.9512 -2.9351 -2.9351 -2.3976 -2.3976 -2.3344 -2.3344 -2.1789 -2.1789 -2.0883 -2.0883 -0.8709 -0.8709 -0.8348 -0.8348 3.2107 3.2107 3.2178 3.2178 3.3093 3.3093 3.3437 3.3437 7.6886 7.6886 8.5787 8.5787 8.8582 8.8582 8.9417 8.9417 8.9840 8.9840 k = 0.0000 0.0000 0.0000 ( 14117 PWs) bands (ev): -19.0319 -19.0319 -18.9895 -18.9895 -15.4634 -15.4634 -15.3187 -15.3187 -14.7070 -14.7070 -14.7066 -14.7066 -4.4606 -4.4606 -4.2038 -4.2038 -3.4514 -3.4514 -3.3196 -3.3196 -3.2810 -3.2810 -3.2050 -3.2050 -2.9512 -2.9512 -2.9351 -2.9351 -2.3976 -2.3976 -2.3344 -2.3344 -2.1789 -2.1789 -2.0883 -2.0883 -0.8709 -0.8709 -0.8348 -0.8348 3.2107 3.2107 3.2178 3.2178 3.3093 3.3093 3.3437 3.3437 7.6886 7.6886 8.5787 8.5787 8.8582 8.8582 8.9417 8.9417 8.9840 8.9840 k = 0.0128 0.0147-0.0000 ( 14117 PWs) bands (ev): -19.0319 -19.0319 -18.9895 -18.9895 -15.4632 -15.4632 -15.3189 -15.3189 -14.7070 -14.7070 -14.7066 -14.7066 -4.4603 -4.4603 -4.2039 -4.2039 -3.4518 -3.4518 -3.3207 -3.3207 -3.2806 -3.2806 -3.2045 -3.2045 -2.9507 -2.9507 -2.9355 -2.9355 -2.3970 -2.3970 -2.3414 -2.3414 -2.1788 -2.1788 -2.0816 -2.0816 -0.8704 -0.8704 -0.8341 -0.8341 3.2103 3.2103 3.2180 3.2180 3.3089 3.3089 3.3430 3.3430 7.6895 7.6895 8.5697 8.5697 8.8614 8.8614 8.9409 8.9409 8.9832 8.9832 k = 0.0256 0.0293-0.0000 ( 14109 PWs) bands (ev): -19.0318 -19.0318 -18.9896 -18.9896 -15.4628 -15.4628 -15.3195 -15.3195 -14.7070 -14.7070 -14.7066 -14.7066 -4.4594 -4.4594 -4.2042 -4.2042 -3.4528 -3.4528 -3.3240 -3.3240 -3.2793 -3.2793 -3.2032 -3.2032 -2.9492 -2.9492 -2.9366 -2.9366 -2.3952 -2.3952 -2.3604 -2.3604 -2.1785 -2.1785 -2.0635 -2.0635 -0.8689 -0.8689 -0.8320 -0.8320 3.2092 3.2092 3.2184 3.2184 3.3077 3.3077 3.3407 3.3407 7.6921 7.6921 8.5450 8.5450 8.8710 8.8710 8.9386 8.9386 8.9809 8.9809 k = 0.0385 0.0440-0.0000 ( 14113 PWs) bands (ev): -19.0316 -19.0316 -18.9897 -18.9897 -15.4621 -15.4621 -15.3203 -15.3203 -14.7070 -14.7070 -14.7067 -14.7067 -4.4581 -4.4581 -4.2046 -4.2046 -3.4547 -3.4547 -3.3291 -3.3291 -3.2773 -3.2773 -3.2012 -3.2012 -2.9467 -2.9467 -2.9385 -2.9385 -2.3924 -2.3924 -2.3875 -2.3875 -2.1781 -2.1781 -2.0379 -2.0379 -0.8663 -0.8663 -0.8286 -0.8286 3.2074 3.2074 3.2191 3.2191 3.3057 3.3057 3.3370 3.3370 7.6963 7.6963 8.5092 8.5092 8.8869 8.8869 8.9348 8.9348 8.9770 8.9770 k = 0.0513 0.0586-0.0000 ( 14121 PWs) bands (ev): -19.0314 -19.0314 -18.9898 -18.9898 -15.4611 -15.4611 -15.3216 -15.3216 -14.7070 -14.7070 -14.7067 -14.7067 -4.4562 -4.4562 -4.2052 -4.2052 -3.4573 -3.4573 -3.3358 -3.3358 -3.2744 -3.2744 -3.1988 -3.1988 -2.9434 -2.9434 -2.9408 -2.9408 -2.4191 -2.4191 -2.3885 -2.3885 -2.1776 -2.1776 -2.0080 -2.0080 -0.8628 -0.8628 -0.8239 -0.8239 3.2048 3.2048 3.2200 3.2200 3.3029 3.3029 3.3318 3.3318 7.7019 7.7019 8.4666 8.4666 8.9090 8.9090 8.9294 8.9294 8.9714 8.9714 k = 0.0641 0.0733-0.0000 ( 14105 PWs) bands (ev): -19.0311 -19.0311 -18.9900 -18.9900 -15.4598 -15.4598 -15.3232 -15.3232 -14.7071 -14.7071 -14.7067 -14.7067 -4.4540 -4.4540 -4.2061 -4.2061 -3.4607 -3.4607 -3.3435 -3.3435 -3.2707 -3.2707 -3.1960 -3.1960 -2.9435 -2.9435 -2.9395 -2.9395 -2.4532 -2.4532 -2.3839 -2.3839 -2.1768 -2.1768 -1.9760 -1.9760 -0.8582 -0.8582 -0.8178 -0.8178 3.2014 3.2014 3.2212 3.2212 3.2994 3.2994 3.3252 3.3252 7.7087 7.7087 8.4202 8.4202 8.9224 8.9224 8.9373 8.9373 8.9642 8.9642 k = 0.0769 0.0880-0.0000 ( 14125 PWs) bands (ev): -19.0307 -19.0307 -18.9903 -18.9903 -15.4582 -15.4582 -15.3251 -15.3251 -14.7071 -14.7071 -14.7068 -14.7068 -4.4515 -4.4515 -4.2073 -4.2073 -3.4649 -3.4649 -3.3521 -3.3521 -3.2662 -3.2662 -3.1932 -3.1932 -2.9463 -2.9463 -2.9352 -2.9352 -2.4883 -2.4883 -2.3787 -2.3787 -2.1760 -2.1760 -1.9430 -1.9430 -0.8527 -0.8527 -0.8105 -0.8105 3.1973 3.1973 3.2227 3.2227 3.2951 3.2951 3.3171 3.3171 7.7164 7.7164 8.3718 8.3718 8.9136 8.9136 8.9551 8.9551 8.9714 8.9714 k = 0.0897 0.1026-0.0000 ( 14129 PWs) bands (ev): -19.0303 -19.0303 -18.9905 -18.9905 -15.4564 -15.4564 -15.3273 -15.3273 -14.7072 -14.7072 -14.7069 -14.7069 -4.4489 -4.4489 -4.2089 -4.2089 -3.4700 -3.4700 -3.3612 -3.3612 -3.2610 -3.2610 -3.1902 -3.1902 -2.9490 -2.9490 -2.9307 -2.9307 -2.5232 -2.5232 -2.3731 -2.3731 -2.1750 -2.1750 -1.9098 -1.9098 -0.8462 -0.8462 -0.8018 -0.8018 3.1923 3.1923 3.2244 3.2244 3.2901 3.2901 3.3078 3.3078 7.7247 7.7247 8.3227 8.3227 8.9030 8.9030 8.9442 8.9442 9.0112 9.0112 k = 0.1026 0.1173-0.0000 ( 14137 PWs) bands (ev): -19.0298 -19.0298 -18.9908 -18.9908 -15.4543 -15.4543 -15.3298 -15.3298 -14.7073 -14.7073 -14.7069 -14.7069 -4.4462 -4.4462 -4.2110 -4.2110 -3.4759 -3.4759 -3.3704 -3.3704 -3.2550 -3.2550 -3.1871 -3.1871 -2.9514 -2.9514 -2.9265 -2.9265 -2.5573 -2.5573 -2.3673 -2.3673 -2.1738 -2.1738 -1.8769 -1.8769 -0.8388 -0.8388 -0.7919 -0.7919 3.1866 3.1866 3.2263 3.2263 3.2845 3.2845 3.2971 3.2971 7.7333 7.7333 8.2737 8.2737 8.8905 8.8905 8.9314 8.9314 9.0561 9.0561 k = 0.1154 0.1319-0.0000 ( 14121 PWs) bands (ev): -19.0292 -19.0292 -18.9912 -18.9912 -15.4520 -15.4520 -15.3326 -15.3326 -14.7073 -14.7073 -14.7070 -14.7070 -4.4437 -4.4437 -4.2136 -4.2136 -3.4828 -3.4828 -3.3796 -3.3796 -3.2484 -3.2484 -3.1839 -3.1839 -2.9532 -2.9532 -2.9228 -2.9228 -2.5898 -2.5898 -2.3616 -2.3616 -2.1725 -2.1725 -1.8445 -1.8445 -0.8305 -0.8305 -0.7808 -0.7808 3.1800 3.1800 3.2284 3.2284 3.2783 3.2783 3.2854 3.2854 7.7419 7.7419 8.2252 8.2252 8.8761 8.8761 8.9166 8.9166 9.1056 9.1056 k = 0.1282 0.1466-0.0000 ( 14126 PWs) bands (ev): -19.0286 -19.0286 -18.9916 -18.9916 -15.4494 -15.4494 -15.3356 -15.3356 -14.7074 -14.7074 -14.7071 -14.7071 -4.4414 -4.4414 -4.2170 -4.2170 -3.4906 -3.4906 -3.3886 -3.3886 -3.2411 -3.2411 -3.1805 -3.1805 -2.9542 -2.9542 -2.9203 -2.9203 -2.6198 -2.6198 -2.3560 -2.3560 -2.1711 -2.1711 -1.8129 -1.8129 -0.8213 -0.8213 -0.7686 -0.7686 3.1724 3.1724 3.2307 3.2307 3.2716 3.2716 3.2726 3.2726 7.7503 7.7503 8.1776 8.1776 8.8597 8.8597 8.8998 8.8998 9.1589 9.1589 k = 0.1410 0.1612-0.0000 ( 14142 PWs) bands (ev): -19.0280 -19.0280 -18.9920 -18.9920 -15.4467 -15.4467 -15.3389 -15.3389 -14.7075 -14.7075 -14.7072 -14.7072 -4.4394 -4.4394 -4.2212 -4.2212 -3.4992 -3.4992 -3.3971 -3.3971 -3.2332 -3.2332 -3.1769 -3.1769 -2.9543 -2.9543 -2.9194 -2.9194 -2.6466 -2.6466 -2.3509 -2.3509 -2.1696 -2.1696 -1.7822 -1.7822 -0.8113 -0.8113 -0.7552 -0.7552 3.1637 3.1637 3.2330 3.2330 3.2591 3.2591 3.2645 3.2645 7.7582 7.7582 8.1312 8.1312 8.8414 8.8414 8.8809 8.8809 9.2153 9.2153 k = 0.1538 0.1759-0.0000 ( 14134 PWs) bands (ev): -19.0273 -19.0273 -18.9924 -18.9924 -15.4437 -15.4437 -15.3425 -15.3425 -14.7076 -14.7076 -14.7073 -14.7073 -4.4379 -4.4379 -4.2263 -4.2263 -3.5087 -3.5087 -3.4049 -3.4049 -3.2248 -3.2248 -3.1731 -3.1731 -2.9534 -2.9534 -2.9208 -2.9208 -2.6693 -2.6693 -2.3462 -2.3462 -2.1680 -2.1680 -1.7525 -1.7525 -0.8005 -0.8005 -0.7409 -0.7409 3.1538 3.1538 3.2352 3.2352 3.2450 3.2450 3.2572 3.2572 7.7655 7.7655 8.0862 8.0862 8.8211 8.8211 8.8601 8.8601 9.2741 9.2741 k = 0.1667 0.1906-0.0000 ( 14130 PWs) bands (ev): -19.0266 -19.0266 -18.9929 -18.9929 -15.4406 -15.4406 -15.3462 -15.3462 -14.7077 -14.7077 -14.7074 -14.7074 -4.4370 -4.4370 -4.2326 -4.2326 -3.5189 -3.5189 -3.4120 -3.4120 -3.2158 -3.2158 -3.1690 -3.1690 -2.9513 -2.9513 -2.9251 -2.9251 -2.6871 -2.6871 -2.3423 -2.3423 -2.1663 -2.1663 -1.7239 -1.7239 -0.7890 -0.7890 -0.7256 -0.7256 3.1423 3.1423 3.2307 3.2307 3.2365 3.2365 3.2506 3.2506 7.7720 7.7720 8.0427 8.0427 8.7990 8.7990 8.8372 8.8372 9.3346 9.3346 k = 0.1795 0.2052-0.0000 ( 14130 PWs) bands (ev): -19.0258 -19.0258 -18.9933 -18.9933 -15.4373 -15.4373 -15.3501 -15.3501 -14.7078 -14.7078 -14.7075 -14.7075 -4.4367 -4.4367 -4.2402 -4.2402 -3.5299 -3.5299 -3.4181 -3.4181 -3.2063 -3.2063 -3.1649 -3.1649 -2.9480 -2.9480 -2.9323 -2.9323 -2.6996 -2.6996 -2.3391 -2.3391 -2.1645 -2.1645 -1.6964 -1.6964 -0.7769 -0.7769 -0.7094 -0.7094 3.1291 3.1291 3.2166 3.2166 3.2342 3.2342 3.2474 3.2474 7.7776 7.7776 8.0008 8.0008 8.7751 8.7751 8.8126 8.8126 9.3421 9.3421 k = 0.1923 0.2199-0.0000 ( 14146 PWs) bands (ev): -19.0250 -19.0250 -18.9938 -18.9938 -15.4339 -15.4339 -15.3541 -15.3541 -14.7079 -14.7079 -14.7076 -14.7076 -4.4370 -4.4370 -4.2491 -4.2491 -3.5415 -3.5415 -3.4231 -3.4231 -3.1965 -3.1965 -3.1608 -3.1608 -2.9436 -2.9436 -2.9422 -2.9422 -2.7067 -2.7067 -2.3369 -2.3369 -2.1627 -2.1627 -1.6701 -1.6701 -0.7641 -0.7641 -0.6925 -0.6925 3.1138 3.1138 3.2029 3.2029 3.2274 3.2274 3.2485 3.2485 7.7823 7.7823 7.9607 7.9607 8.7495 8.7495 8.7862 8.7862 9.2851 9.2851 k = 0.2051 0.2345-0.0000 ( 14146 PWs) bands (ev): -19.0242 -19.0242 -18.9944 -18.9944 -15.4304 -15.4304 -15.3582 -15.3582 -14.7081 -14.7081 -14.7077 -14.7077 -4.4380 -4.4380 -4.2595 -4.2595 -3.5535 -3.5535 -3.4270 -3.4270 -3.1863 -3.1863 -3.1572 -3.1572 -2.9540 -2.9540 -2.9379 -2.9379 -2.7089 -2.7089 -2.3356 -2.3356 -2.1608 -2.1608 -1.6449 -1.6449 -0.7508 -0.7508 -0.6749 -0.6749 3.0964 3.0964 3.1901 3.1901 3.2190 3.2190 3.2511 3.2511 7.7860 7.7860 7.9225 7.9225 8.7225 8.7225 8.7583 8.7583 9.2200 9.2200 k = 0.2179 0.2492-0.0000 ( 14154 PWs) bands (ev): -19.0233 -19.0233 -18.9949 -18.9949 -15.4268 -15.4268 -15.3625 -15.3625 -14.7082 -14.7082 -14.7078 -14.7078 -4.4396 -4.4396 -4.2713 -4.2713 -3.5660 -3.5660 -3.4296 -3.4296 -3.1758 -3.1758 -3.1545 -3.1545 -2.9666 -2.9666 -2.9310 -2.9310 -2.7067 -2.7067 -2.3353 -2.3353 -2.1589 -2.1589 -1.6209 -1.6209 -0.7371 -0.7371 -0.6568 -0.6568 3.0768 3.0768 3.1781 3.1781 3.2099 3.2099 3.2542 3.2542 7.7887 7.7887 7.8862 7.8862 8.6942 8.6942 8.7291 8.7291 9.1498 9.1498 k = 0.2308 0.2639-0.0000 ( 14162 PWs) bands (ev): -19.0225 -19.0225 -18.9954 -18.9954 -15.4231 -15.4231 -15.3668 -15.3668 -14.7083 -14.7083 -14.7079 -14.7079 -4.4419 -4.4419 -4.2845 -4.2845 -3.5787 -3.5787 -3.4309 -3.4309 -3.1651 -3.1651 -3.1533 -3.1533 -2.9787 -2.9787 -2.9229 -2.9229 -2.7008 -2.7008 -2.3362 -2.3362 -2.1569 -2.1569 -1.5981 -1.5981 -0.7230 -0.7230 -0.6383 -0.6383 3.0552 3.0552 3.1670 3.1670 3.2006 3.2006 3.2575 3.2575 7.7906 7.7906 7.8520 7.8520 8.6649 8.6649 8.6988 8.6988 9.0767 9.0767 k = 0.2436 0.2785-0.0000 ( 14162 PWs) bands (ev): -19.0216 -19.0216 -18.9960 -18.9960 -15.4194 -15.4194 -15.3711 -15.3711 -14.7084 -14.7084 -14.7081 -14.7081 -4.4448 -4.4448 -4.2990 -4.2990 -3.5916 -3.5916 -3.4309 -3.4309 -3.1543 -3.1543 -3.1539 -3.1539 -2.9894 -2.9894 -2.9137 -2.9137 -2.6919 -2.6919 -2.3381 -2.3381 -2.1549 -2.1549 -1.5765 -1.5765 -0.7086 -0.7086 -0.6194 -0.6194 3.0319 3.0319 3.1566 3.1566 3.1912 3.1912 3.2609 3.2609 7.7916 7.7916 7.8198 7.8198 8.6348 8.6348 8.6676 8.6676 9.0021 9.0021 k = 0.2564 0.2932-0.0000 ( 14154 PWs) bands (ev): -19.0208 -19.0208 -18.9965 -18.9965 -15.4156 -15.4156 -15.3754 -15.3754 -14.7085 -14.7085 -14.7082 -14.7082 -4.4483 -4.4483 -4.3147 -4.3147 -3.6046 -3.6046 -3.4296 -3.4296 -3.1571 -3.1571 -3.1433 -3.1433 -2.9979 -2.9979 -2.9034 -2.9034 -2.6803 -2.6803 -2.3411 -2.3411 -2.1530 -2.1530 -1.5560 -1.5560 -0.6940 -0.6940 -0.6004 -0.6004 3.0071 3.0071 3.1470 3.1470 3.1817 3.1817 3.2644 3.2644 7.7897 7.7897 7.7919 7.7919 8.6041 8.6041 8.6358 8.6358 8.9270 8.9270 k = 0.2692 0.3078-0.0000 ( 14158 PWs) bands (ev): -19.0199 -19.0199 -18.9970 -18.9970 -15.4119 -15.4119 -15.3797 -15.3797 -14.7087 -14.7087 -14.7083 -14.7083 -4.4524 -4.4524 -4.3314 -4.3314 -3.6175 -3.6175 -3.4271 -3.4271 -3.1628 -3.1628 -3.1324 -3.1324 -3.0041 -3.0041 -2.8922 -2.8922 -2.6664 -2.6664 -2.3452 -2.3452 -2.1510 -2.1510 -1.5368 -1.5368 -0.6792 -0.6792 -0.5813 -0.5813 2.9812 2.9812 3.1379 3.1379 3.1723 3.1723 3.2680 3.2680 7.7618 7.7618 7.7914 7.7914 8.5732 8.5732 8.6038 8.6038 8.8523 8.8523 k = 0.2821 0.3225-0.0000 ( 14166 PWs) bands (ev): -19.0190 -19.0190 -18.9976 -18.9976 -15.4082 -15.4082 -15.3840 -15.3840 -14.7088 -14.7088 -14.7084 -14.7084 -4.4570 -4.4570 -4.3488 -4.3488 -3.6302 -3.6302 -3.4235 -3.4235 -3.1708 -3.1708 -3.1215 -3.1215 -3.0080 -3.0080 -2.8800 -2.8800 -2.6503 -2.6503 -2.3504 -2.3504 -2.1491 -2.1491 -1.5186 -1.5186 -0.6645 -0.6645 -0.5623 -0.5623 2.9543 2.9543 3.1293 3.1293 3.1630 3.1630 3.2715 3.2715 7.7362 7.7362 7.7904 7.7904 8.5423 8.5423 8.5717 8.5717 8.7785 8.7785 k = 0.2949 0.3371-0.0000 ( 14150 PWs) bands (ev): -19.0182 -19.0182 -18.9981 -18.9981 -15.4045 -15.4045 -15.3882 -15.3882 -14.7089 -14.7089 -14.7085 -14.7085 -4.4621 -4.4621 -4.3665 -4.3665 -3.6427 -3.6427 -3.4188 -3.4188 -3.1805 -3.1805 -3.1108 -3.1108 -3.0104 -3.0104 -2.8670 -2.8670 -2.6324 -2.6324 -2.3567 -2.3567 -2.1472 -2.1472 -1.5016 -1.5016 -0.6498 -0.6498 -0.5435 -0.5435 2.9268 2.9268 3.1212 3.1212 3.1539 3.1539 3.2749 3.2749 7.7128 7.7128 7.7888 7.7888 8.5116 8.5116 8.5399 8.5399 8.7062 8.7062 k = 0.3077 0.3518-0.0000 ( 14150 PWs) bands (ev): -19.0174 -19.0174 -18.9986 -18.9986 -15.4009 -15.4009 -15.3922 -15.3922 -14.7090 -14.7090 -14.7086 -14.7086 -4.4678 -4.4678 -4.3843 -4.3843 -3.6549 -3.6549 -3.4131 -3.4131 -3.1915 -3.1915 -3.1002 -3.1002 -3.0117 -3.0117 -2.8532 -2.8532 -2.6128 -2.6128 -2.3640 -2.3640 -2.1453 -2.1453 -1.4858 -1.4858 -0.6353 -0.6353 -0.5251 -0.5251 2.8989 2.8989 3.1136 3.1136 3.1451 3.1451 3.2783 3.2783 7.6917 7.6917 7.7868 7.7868 8.4814 8.4814 8.5085 8.5085 8.6357 8.6357 k = 0.3205 0.3665-0.0000 ( 14138 PWs) bands (ev): -19.0166 -19.0166 -18.9991 -18.9991 -15.3974 -15.3974 -15.3962 -15.3962 -14.7091 -14.7091 -14.7088 -14.7088 -4.4742 -4.4742 -4.4017 -4.4017 -3.6666 -3.6666 -3.4067 -3.4067 -3.2030 -3.2030 -3.0900 -3.0900 -3.0126 -3.0126 -2.8387 -2.8387 -2.5919 -2.5919 -2.3723 -2.3723 -2.1435 -2.1435 -1.4710 -1.4710 -0.6211 -0.6211 -0.5072 -0.5072 2.8709 2.8709 3.1064 3.1064 3.1365 3.1365 3.2816 3.2816 7.6728 7.6728 7.7845 7.7845 8.4520 8.4520 8.4779 8.4779 8.5674 8.5674 k = 0.3333 0.3811-0.0000 ( 14114 PWs) bands (ev): -19.0158 -19.0158 -18.9996 -18.9996 -15.4000 -15.4000 -15.3941 -15.3941 -14.7092 -14.7092 -14.7089 -14.7089 -4.4814 -4.4814 -4.4181 -4.4181 -3.6778 -3.6778 -3.3996 -3.3996 -3.2147 -3.2147 -3.0800 -3.0800 -3.0135 -3.0135 -2.8236 -2.8236 -2.5700 -2.5700 -2.3816 -2.3816 -2.1418 -2.1418 -1.4573 -1.4573 -0.6073 -0.6073 -0.4898 -0.4898 2.8430 2.8430 3.0996 3.0996 3.1283 3.1283 3.2848 3.2848 7.6563 7.6563 7.7819 7.7819 8.4236 8.4236 8.4484 8.4484 8.5017 8.5017 k = 0.3462 0.3958-0.0000 ( 14110 PWs) bands (ev): -19.0151 -19.0151 -19.0001 -19.0001 -15.4036 -15.4036 -15.3909 -15.3909 -14.7093 -14.7093 -14.7090 -14.7090 -4.4898 -4.4898 -4.4331 -4.4331 -3.6884 -3.6884 -3.3920 -3.3920 -3.2261 -3.2261 -3.0705 -3.0705 -3.0148 -3.0148 -2.8079 -2.8079 -2.5475 -2.5475 -2.3917 -2.3917 -2.1402 -2.1402 -1.4448 -1.4448 -0.5940 -0.5940 -0.4732 -0.4732 2.8156 2.8156 3.0932 3.0932 3.1205 3.1205 3.2879 3.2879 7.6421 7.6421 7.7791 7.7791 8.3963 8.3963 8.4200 8.4200 8.4388 8.4388 k = 0.3590 0.4104-0.0000 ( 14102 PWs) bands (ev): -19.0144 -19.0144 -19.0005 -19.0005 -15.4070 -15.4070 -15.3878 -15.3878 -14.7094 -14.7094 -14.7091 -14.7091 -4.4994 -4.4994 -4.4461 -4.4461 -3.6983 -3.6983 -3.3840 -3.3840 -3.2372 -3.2372 -3.0615 -3.0615 -3.0164 -3.0164 -2.7918 -2.7918 -2.5247 -2.5247 -2.4027 -2.4027 -2.1386 -2.1386 -1.4332 -1.4332 -0.5813 -0.5813 -0.4575 -0.4575 2.7889 2.7889 3.0873 3.0873 3.1131 3.1131 3.2907 3.2907 7.6302 7.6302 7.7763 7.7763 8.3705 8.3705 8.3787 8.3787 8.3933 8.3933 k = 0.3718 0.4251-0.0000 ( 14114 PWs) bands (ev): -19.0137 -19.0137 -19.0009 -19.0009 -15.4102 -15.4102 -15.3850 -15.3850 -14.7095 -14.7095 -14.7091 -14.7091 -4.5103 -4.5103 -4.4568 -4.4568 -3.7076 -3.7076 -3.3758 -3.3758 -3.2476 -3.2476 -3.0530 -3.0530 -3.0185 -3.0185 -2.7754 -2.7754 -2.5021 -2.5021 -2.4145 -2.4145 -2.1372 -2.1372 -1.4228 -1.4228 -0.5693 -0.5693 -0.4427 -0.4427 2.7632 2.7632 3.0819 3.0819 3.1062 3.1062 3.2935 3.2935 7.6205 7.6205 7.7735 7.7735 8.3223 8.3223 8.3463 8.3463 8.3680 8.3680 k = 0.3846 0.4398-0.0000 ( 14122 PWs) bands (ev): -19.0131 -19.0131 -19.0013 -19.0013 -15.4131 -15.4131 -15.3823 -15.3823 -14.7096 -14.7096 -14.7092 -14.7092 -4.5220 -4.5220 -4.4654 -4.4654 -3.7162 -3.7162 -3.3675 -3.3675 -3.2573 -3.2573 -3.0451 -3.0451 -3.0211 -3.0211 -2.7587 -2.7587 -2.4802 -2.4802 -2.4269 -2.4269 -2.1359 -2.1359 -1.4133 -1.4133 -0.5580 -0.5580 -0.4290 -0.4290 2.7388 2.7388 3.0769 3.0769 3.0999 3.0999 3.2960 3.2960 7.6129 7.6129 7.7707 7.7707 8.2694 8.2694 8.3238 8.3238 8.3447 8.3447 k = 0.3974 0.4544-0.0000 ( 14138 PWs) bands (ev): -19.0126 -19.0126 -19.0016 -19.0016 -15.4158 -15.4158 -15.3799 -15.3799 -14.7097 -14.7097 -14.7093 -14.7093 -4.5339 -4.5339 -4.4723 -4.4723 -3.7239 -3.7239 -3.3593 -3.3593 -3.2661 -3.2661 -3.0379 -3.0379 -3.0241 -3.0241 -2.7418 -2.7418 -2.4592 -2.4592 -2.4399 -2.4399 -2.1347 -2.1347 -1.4049 -1.4049 -0.5477 -0.5477 -0.4165 -0.4165 2.7160 2.7160 3.0724 3.0724 3.0941 3.0941 3.2983 3.2983 7.6074 7.6074 7.7680 7.7680 8.2205 8.2205 8.3033 8.3033 8.3233 8.3233 k = 0.4103 0.4691-0.0000 ( 14130 PWs) bands (ev): -19.0121 -19.0121 -19.0019 -19.0019 -15.4182 -15.4182 -15.3777 -15.3777 -14.7098 -14.7098 -14.7094 -14.7094 -4.5455 -4.5455 -4.4779 -4.4779 -3.7308 -3.7308 -3.3515 -3.3515 -3.2740 -3.2740 -3.0314 -3.0314 -3.0273 -3.0273 -2.7250 -2.7250 -2.4533 -2.4533 -2.4396 -2.4396 -2.1336 -2.1336 -1.3976 -1.3976 -0.5383 -0.5383 -0.4052 -0.4052 2.6951 2.6951 3.0683 3.0683 3.0889 3.0889 3.3003 3.3003 7.6037 7.6037 7.7655 7.7655 8.1758 8.1758 8.2849 8.2849 8.3041 8.3041 k = 0.4231 0.4837-0.0000 ( 14114 PWs) bands (ev): -19.0116 -19.0116 -19.0022 -19.0022 -15.4203 -15.4203 -15.3758 -15.3758 -14.7098 -14.7098 -14.7094 -14.7094 -4.5562 -4.5562 -4.4824 -4.4824 -3.7369 -3.7369 -3.3441 -3.3441 -3.2809 -3.2809 -3.0306 -3.0306 -3.0257 -3.0257 -2.7083 -2.7083 -2.4670 -2.4670 -2.4218 -2.4218 -2.1327 -2.1327 -1.3912 -1.3912 -0.5300 -0.5300 -0.3952 -0.3952 2.6763 2.6763 3.0648 3.0648 3.0844 3.0844 3.3022 3.3022 7.6016 7.6016 7.7633 7.7633 8.1356 8.1356 8.2687 8.2687 8.2872 8.2872 k = 0.4359 0.4984-0.0000 ( 14098 PWs) bands (ev): -19.0113 -19.0113 -19.0024 -19.0024 -15.4221 -15.4221 -15.3742 -15.3742 -14.7099 -14.7099 -14.7095 -14.7095 -4.5656 -4.5656 -4.4861 -4.4861 -3.7421 -3.7421 -3.3374 -3.3374 -3.2868 -3.2868 -3.0338 -3.0338 -3.0207 -3.0207 -2.6920 -2.6920 -2.4807 -2.4807 -2.4062 -2.4062 -2.1318 -2.1318 -1.3858 -1.3858 -0.5228 -0.5228 -0.3867 -0.3867 2.6600 2.6600 3.0619 3.0619 3.0805 3.0805 3.3037 3.3037 7.6009 7.6009 7.7613 7.7613 8.1004 8.1004 8.2548 8.2548 8.2727 8.2727 k = 0.4487 0.5130-0.0000 ( 14102 PWs) bands (ev): -19.0110 -19.0110 -19.0026 -19.0026 -15.4236 -15.4236 -15.3728 -15.3728 -14.7099 -14.7099 -14.7095 -14.7095 -4.5737 -4.5737 -4.4890 -4.4890 -3.7463 -3.7463 -3.3317 -3.3317 -3.2916 -3.2916 -3.0368 -3.0368 -3.0167 -3.0167 -2.6766 -2.6766 -2.4941 -2.4941 -2.3929 -2.3929 -2.1312 -2.1312 -1.3814 -1.3814 -0.5168 -0.5168 -0.3796 -0.3796 2.6462 2.6462 3.0594 3.0594 3.0773 3.0773 3.3050 3.3050 7.6011 7.6011 7.7596 7.7596 8.0707 8.0707 8.2433 8.2433 8.2607 8.2607 k = 0.4615 0.5277-0.0000 ( 14094 PWs) bands (ev): -19.0107 -19.0107 -19.0028 -19.0028 -15.4248 -15.4248 -15.3717 -15.3717 -14.7100 -14.7100 -14.7096 -14.7096 -4.5801 -4.5801 -4.4913 -4.4913 -3.7497 -3.7497 -3.3270 -3.3270 -3.2954 -3.2954 -3.0394 -3.0394 -3.0135 -3.0135 -2.6624 -2.6624 -2.5067 -2.5067 -2.3823 -2.3823 -2.1307 -2.1307 -1.3780 -1.3780 -0.5121 -0.5121 -0.3740 -0.3740 2.6353 2.6353 3.0575 3.0575 3.0747 3.0747 3.3060 3.3060 7.6020 7.6020 7.7583 7.7583 8.0468 8.0468 8.2343 8.2343 8.2513 8.2513 k = 0.4744 0.5424-0.0000 ( 14078 PWs) bands (ev): -19.0105 -19.0105 -19.0029 -19.0029 -15.4257 -15.4257 -15.3710 -15.3710 -14.7100 -14.7100 -14.7096 -14.7096 -4.5847 -4.5847 -4.4928 -4.4928 -3.7521 -3.7521 -3.3235 -3.3235 -3.2980 -3.2980 -3.0413 -3.0413 -3.0111 -3.0111 -2.6506 -2.6506 -2.5174 -2.5174 -2.3746 -2.3746 -2.1303 -2.1303 -1.3755 -1.3755 -0.5087 -0.5087 -0.3700 -0.3700 2.6274 2.6274 3.0561 3.0561 3.0729 3.0729 3.3068 3.3068 7.6030 7.6030 7.7573 7.7573 8.0293 8.0293 8.2278 8.2278 8.2446 8.2446 k = 0.4872 0.5570-0.0000 ( 14090 PWs) bands (ev): -19.0104 -19.0104 -19.0029 -19.0029 -15.4262 -15.4262 -15.3705 -15.3705 -14.7100 -14.7100 -14.7096 -14.7096 -4.5875 -4.5875 -4.4938 -4.4938 -3.7535 -3.7535 -3.3214 -3.3214 -3.2996 -3.2996 -3.0426 -3.0426 -3.0097 -3.0097 -2.6423 -2.6423 -2.5249 -2.5249 -2.3700 -2.3700 -2.1301 -2.1301 -1.3741 -1.3741 -0.5066 -0.5066 -0.3676 -0.3676 2.6226 2.6226 3.0553 3.0553 3.0718 3.0718 3.3072 3.3072 7.6038 7.6038 7.7567 7.7567 8.0186 8.0186 8.2239 8.2239 8.2405 8.2405 k = 0.5000 0.5717-0.0000 ( 14082 PWs) bands (ev): -19.0104 -19.0104 -19.0029 -19.0029 -15.4263 -15.4263 -15.3703 -15.3703 -14.7100 -14.7100 -14.7096 -14.7096 -4.5885 -4.5885 -4.4941 -4.4941 -3.7540 -3.7540 -3.3207 -3.3207 -3.3001 -3.3001 -3.0430 -3.0430 -3.0093 -3.0093 -2.6393 -2.6393 -2.5277 -2.5277 -2.3684 -2.3684 -2.1300 -2.1300 -1.3736 -1.3736 -0.5059 -0.5059 -0.3668 -0.3668 2.6210 2.6210 3.0550 3.0550 3.0715 3.0715 3.3074 3.3074 7.6041 7.6041 7.7565 7.7565 8.0150 8.0150 8.2226 8.2226 8.2391 8.2391 k = 0.5000 0.5717-0.0000 ( 14082 PWs) bands (ev): -19.0104 -19.0104 -19.0029 -19.0029 -15.4263 -15.4263 -15.3703 -15.3703 -14.7100 -14.7100 -14.7096 -14.7096 -4.5885 -4.5885 -4.4941 -4.4941 -3.7540 -3.7540 -3.3207 -3.3207 -3.3001 -3.3001 -3.0430 -3.0430 -3.0093 -3.0093 -2.6393 -2.6393 -2.5277 -2.5277 -2.3684 -2.3684 -2.1300 -2.1300 -1.3736 -1.3736 -0.5059 -0.5059 -0.3668 -0.3668 2.6210 2.6210 3.0550 3.0550 3.0715 3.0715 3.3074 3.3074 7.6041 7.6041 7.7565 7.7565 8.0150 8.0150 8.2226 8.2226 8.2391 8.2391 k = 0.4904 0.5801 0.0128 ( 14082 PWs) bands (ev): -19.0104 -19.0104 -19.0030 -19.0030 -15.4265 -15.4265 -15.3703 -15.3703 -14.7100 -14.7100 -14.7095 -14.7095 -4.5888 -4.5888 -4.4935 -4.4935 -3.7535 -3.7535 -3.3329 -3.3329 -3.2885 -3.2885 -3.0428 -3.0428 -3.0093 -3.0093 -2.6398 -2.6398 -2.5271 -2.5271 -2.3688 -2.3688 -2.1289 -2.1289 -1.3746 -1.3746 -0.5063 -0.5063 -0.3673 -0.3673 2.6222 2.6222 3.0549 3.0549 3.0713 3.0713 3.3064 3.3064 7.6058 7.6058 7.7584 7.7584 8.0156 8.0156 8.2240 8.2240 8.2406 8.2406 k = 0.4808 0.5885 0.0256 ( 14084 PWs) bands (ev): -19.0103 -19.0103 -19.0030 -19.0030 -15.4269 -15.4269 -15.3702 -15.3702 -14.7099 -14.7099 -14.7093 -14.7093 -4.5898 -4.5898 -4.4916 -4.4916 -3.7522 -3.7522 -3.3521 -3.3521 -3.2712 -3.2712 -3.0424 -3.0424 -3.0094 -3.0094 -2.6411 -2.6411 -2.5256 -2.5256 -2.3700 -2.3700 -2.1258 -2.1258 -1.3777 -1.3777 -0.5073 -0.5073 -0.3689 -0.3689 2.6258 2.6258 3.0542 3.0542 3.0711 3.0711 3.3036 3.3036 7.6110 7.6110 7.7642 7.7642 8.0175 8.0175 8.2280 8.2280 8.2452 8.2452 k = 0.4711 0.5969 0.0383 ( 14092 PWs) bands (ev): -19.0102 -19.0102 -19.0031 -19.0031 -15.4275 -15.4275 -15.3699 -15.3699 -14.7098 -14.7098 -14.7088 -14.7088 -4.5913 -4.5913 -4.4887 -4.4887 -3.7500 -3.7500 -3.3722 -3.3722 -3.2541 -3.2541 -3.0417 -3.0417 -3.0095 -3.0095 -2.6432 -2.6432 -2.5230 -2.5230 -2.3719 -2.3719 -2.1207 -2.1207 -1.3829 -1.3829 -0.5091 -0.5091 -0.3714 -0.3714 2.6317 2.6317 3.0526 3.0526 3.0712 3.0712 3.2989 3.2989 7.6197 7.6197 7.7737 7.7737 8.0204 8.0204 8.2341 8.2341 8.2535 8.2535 k = 0.4615 0.6053 0.0511 ( 14102 PWs) bands (ev): -19.0101 -19.0101 -19.0033 -19.0033 -15.4284 -15.4284 -15.3696 -15.3696 -14.7098 -14.7098 -14.7081 -14.7081 -4.5933 -4.5933 -4.4847 -4.4847 -3.7469 -3.7469 -3.3924 -3.3924 -3.2381 -3.2381 -3.0410 -3.0410 -3.0094 -3.0094 -2.6462 -2.6462 -2.5194 -2.5194 -2.3744 -2.3744 -2.1138 -2.1138 -1.3900 -1.3900 -0.5119 -0.5119 -0.3747 -0.3747 2.6400 2.6400 3.0496 3.0496 3.0722 3.0722 3.2924 3.2924 7.6318 7.6318 7.7870 7.7870 8.0241 8.0241 8.2422 8.2422 8.2660 8.2660 k = 0.4519 0.6138 0.0639 ( 14104 PWs) bands (ev): -19.0099 -19.0099 -19.0035 -19.0035 -15.4296 -15.4296 -15.3691 -15.3691 -14.7098 -14.7098 -14.7072 -14.7072 -4.5955 -4.5955 -4.4799 -4.4799 -3.7432 -3.7432 -3.4125 -3.4125 -3.2235 -3.2235 -3.0404 -3.0404 -3.0088 -3.0088 -2.6498 -2.6498 -2.5149 -2.5149 -2.3773 -2.3773 -2.1051 -2.1051 -1.3990 -1.3990 -0.5158 -0.5158 -0.3785 -0.3785 2.6504 2.6504 3.0451 3.0451 3.0743 3.0743 3.2843 3.2843 7.6472 7.6472 7.8039 7.8039 8.0281 8.0281 8.2524 8.2524 8.2827 8.2827 k = 0.4423 0.6222 0.0767 ( 14094 PWs) bands (ev): -19.0097 -19.0097 -19.0037 -19.0037 -15.4309 -15.4309 -15.3686 -15.3686 -14.7098 -14.7098 -14.7062 -14.7062 -4.5979 -4.5979 -4.4743 -4.4743 -3.7387 -3.7387 -3.4321 -3.4321 -3.2105 -3.2105 -3.0404 -3.0404 -3.0074 -3.0074 -2.6542 -2.6542 -2.5096 -2.5096 -2.3804 -2.3804 -2.0949 -2.0949 -1.4098 -1.4098 -0.5212 -0.5212 -0.3828 -0.3828 2.6629 2.6629 3.0392 3.0392 3.0775 3.0775 3.2747 3.2747 7.6660 7.6660 7.8244 7.8244 8.0322 8.0322 8.2651 8.2651 8.3033 8.3033 k = 0.4327 0.6306 0.0895 ( 14104 PWs) bands (ev): -19.0095 -19.0095 -19.0040 -19.0040 -15.4325 -15.4325 -15.3680 -15.3680 -14.7098 -14.7098 -14.7050 -14.7050 -4.6003 -4.6003 -4.4681 -4.4681 -3.7337 -3.7337 -3.4511 -3.4511 -3.1992 -3.1992 -3.0412 -3.0412 -3.0049 -3.0049 -2.6590 -2.6590 -2.5036 -2.5036 -2.3836 -2.3836 -2.0832 -2.0832 -1.4223 -1.4223 -0.5282 -0.5282 -0.3873 -0.3873 2.6774 2.6774 3.0321 3.0322 3.0814 3.0814 3.2638 3.2638 7.6880 7.6880 7.8482 7.8482 8.0358 8.0358 8.2809 8.2809 8.3276 8.3276 k = 0.4230 0.6390 0.1023 ( 14102 PWs) bands (ev): -19.0092 -19.0092 -19.0043 -19.0043 -15.4343 -15.4343 -15.3673 -15.3673 -14.7098 -14.7098 -14.7036 -14.7036 -4.6026 -4.6026 -4.4614 -4.4614 -3.7282 -3.7282 -3.4691 -3.4691 -3.1897 -3.1897 -3.0430 -3.0430 -3.0014 -3.0014 -2.6642 -2.6642 -2.4970 -2.4970 -2.3868 -2.3868 -2.0703 -2.0703 -1.4365 -1.4365 -0.5371 -0.5371 -0.3917 -0.3917 2.6937 2.6937 3.0242 3.0242 3.0861 3.0861 3.2518 3.2518 7.7133 7.7133 7.8754 7.8754 8.0388 8.0388 8.3002 8.3002 8.3553 8.3553 k = 0.4134 0.6474 0.1150 ( 14106 PWs) bands (ev): -19.0088 -19.0088 -19.0046 -19.0046 -15.4362 -15.4362 -15.3665 -15.3665 -14.7098 -14.7098 -14.7022 -14.7022 -4.6048 -4.6048 -4.4543 -4.4543 -3.7226 -3.7226 -3.4859 -3.4859 -3.1820 -3.1820 -3.0458 -3.0458 -2.9971 -2.9971 -2.6696 -2.6696 -2.4900 -2.4900 -2.3896 -2.3896 -2.0563 -2.0563 -1.4521 -1.4521 -0.5479 -0.5479 -0.3961 -0.3961 2.7117 2.7117 3.0157 3.0157 3.0915 3.0915 3.2389 3.2389 7.7416 7.7416 7.9056 7.9056 8.0408 8.0408 8.3230 8.3230 8.3861 8.3861 k = 0.4134 0.6474 0.1150 ( 14106 PWs) bands (ev): -19.0088 -19.0088 -19.0046 -19.0046 -15.4362 -15.4362 -15.3665 -15.3665 -14.7098 -14.7098 -14.7022 -14.7022 -4.6048 -4.6048 -4.4543 -4.4543 -3.7226 -3.7226 -3.4859 -3.4859 -3.1820 -3.1820 -3.0458 -3.0458 -2.9971 -2.9971 -2.6696 -2.6696 -2.4900 -2.4900 -2.3896 -2.3896 -2.0563 -2.0563 -1.4521 -1.4521 -0.5479 -0.5479 -0.3961 -0.3961 2.7117 2.7117 3.0157 3.0157 3.0915 3.0915 3.2389 3.2389 7.7416 7.7416 7.9056 7.9056 8.0408 8.0408 8.3230 8.3230 8.3861 8.3861 k = 0.3969 0.6417 0.1237 ( 14104 PWs) bands (ev): -19.0086 -19.0086 -19.0049 -19.0049 -15.4374 -15.4374 -15.3661 -15.3661 -14.7098 -14.7098 -14.7011 -14.7011 -4.6055 -4.6055 -4.4490 -4.4490 -3.7185 -3.7185 -3.4962 -3.4962 -3.1784 -3.1784 -3.0480 -3.0480 -2.9937 -2.9937 -2.6742 -2.6742 -2.4845 -2.4845 -2.3921 -2.3921 -2.0462 -2.0462 -1.4638 -1.4638 -0.5567 -0.5567 -0.3994 -0.3994 2.7253 2.7253 3.0098 3.0098 3.0957 3.0957 3.2297 3.2297 7.7625 7.7625 7.9278 7.9278 8.0430 8.0430 8.3420 8.3420 8.4094 8.4094 k = 0.3803 0.6360 0.1324 ( 14110 PWs) bands (ev): -19.0084 -19.0084 -19.0051 -19.0051 -15.4386 -15.4386 -15.3658 -15.3658 -14.7098 -14.7098 -14.7001 -14.7001 -4.6051 -4.6051 -4.4434 -4.4434 -3.7141 -3.7141 -3.5052 -3.5052 -3.1770 -3.1770 -3.0503 -3.0503 -2.9899 -2.9899 -2.6800 -2.6800 -2.4783 -2.4783 -2.3955 -2.3955 -2.0357 -2.0357 -1.4764 -1.4764 -0.5667 -0.5667 -0.4036 -0.4036 2.7405 2.7405 3.0043 3.0043 3.1006 3.1006 3.2203 3.2203 7.7848 7.7848 7.9513 7.9513 8.0473 8.0473 8.3659 8.3659 8.4351 8.4351 k = 0.3638 0.6303 0.1411 ( 14098 PWs) bands (ev): -19.0083 -19.0083 -19.0053 -19.0053 -15.4395 -15.4395 -15.3656 -15.3656 -14.7097 -14.7097 -14.6990 -14.6990 -4.6034 -4.6034 -4.4373 -4.4373 -3.7095 -3.7095 -3.5127 -3.5127 -3.1780 -3.1780 -3.0529 -3.0529 -2.9856 -2.9856 -2.6866 -2.6866 -2.4724 -2.4724 -2.3994 -2.3994 -2.0249 -2.0249 -1.4899 -1.4899 -0.5778 -0.5778 -0.4087 -0.4087 2.7568 2.7568 2.9993 2.9993 3.1064 3.1064 3.2109 3.2109 7.8086 7.8086 7.9758 7.9758 8.0534 8.0534 8.3945 8.3945 8.4630 8.4630 k = 0.3473 0.6245 0.1498 ( 14096 PWs) bands (ev): -19.0081 -19.0081 -19.0055 -19.0055 -15.4402 -15.4402 -15.3657 -15.3657 -14.7096 -14.7096 -14.6980 -14.6980 -4.6005 -4.6005 -4.4309 -4.4309 -3.7048 -3.7048 -3.5185 -3.5185 -3.1814 -3.1814 -3.0561 -3.0561 -2.9806 -2.9806 -2.6936 -2.6936 -2.4677 -2.4677 -2.4030 -2.4030 -2.0137 -2.0137 -1.5041 -1.5041 -0.5898 -0.5898 -0.4148 -0.4148 2.7739 2.7739 2.9949 2.9949 3.1128 3.1128 3.2015 3.2015 7.8341 7.8341 8.0013 8.0013 8.0612 8.0612 8.4280 8.4280 8.4928 8.4928 k = 0.3307 0.6188 0.1585 ( 14095 PWs) bands (ev): -19.0080 -19.0080 -19.0057 -19.0057 -15.4408 -15.4408 -15.3660 -15.3660 -14.7094 -14.7094 -14.6969 -14.6969 -4.5965 -4.5965 -4.4243 -4.4243 -3.7004 -3.7004 -3.5225 -3.5225 -3.1869 -3.1869 -3.0599 -3.0599 -2.9749 -2.9749 -2.7005 -2.7005 -2.4656 -2.4656 -2.4053 -2.4053 -2.0021 -2.0021 -1.5190 -1.5190 -0.6022 -0.6022 -0.4219 -0.4219 2.7913 2.7913 2.9912 2.9912 3.1200 3.1200 3.1923 3.1923 7.8614 7.8614 8.0275 8.0275 8.0707 8.0707 8.4660 8.4660 8.5243 8.5243 k = 0.3142 0.6131 0.1671 ( 14100 PWs) bands (ev): -19.0079 -19.0079 -19.0059 -19.0059 -15.4411 -15.4411 -15.3665 -15.3665 -14.7092 -14.7092 -14.6959 -14.6959 -4.5912 -4.5912 -4.4176 -4.4176 -3.6962 -3.6962 -3.5245 -3.5245 -3.1945 -3.1945 -3.0646 -3.0646 -2.9686 -2.9686 -2.7072 -2.7072 -2.4669 -2.4669 -2.4054 -2.4054 -1.9901 -1.9901 -1.5344 -1.5344 -0.6150 -0.6150 -0.4300 -0.4300 2.8088 2.8088 2.9882 2.9882 3.1279 3.1279 3.1834 3.1834 7.8904 7.8904 8.0542 8.0542 8.0820 8.0820 8.5081 8.5081 8.5571 8.5571 k = 0.2977 0.6074 0.1758 ( 14095 PWs) bands (ev): -19.0078 -19.0078 -19.0061 -19.0061 -15.4413 -15.4413 -15.3672 -15.3672 -14.7089 -14.7089 -14.6950 -14.6950 -4.5848 -4.5848 -4.4107 -4.4107 -3.6923 -3.6923 -3.5245 -3.5245 -3.2040 -3.2040 -3.0702 -3.0702 -2.9618 -2.9618 -2.7135 -2.7135 -2.4718 -2.4718 -2.4033 -2.4033 -1.9779 -1.9779 -1.5500 -1.5500 -0.6278 -0.6278 -0.4391 -0.4391 2.8259 2.8259 2.9860 2.9860 3.1364 3.1364 3.1748 3.1748 7.9212 7.9212 8.0808 8.0808 8.0957 8.0957 8.5536 8.5536 8.5911 8.5911 k = 0.2811 0.6017 0.1845 ( 14106 PWs) bands (ev): -19.0078 -19.0078 -19.0063 -19.0063 -15.4412 -15.4412 -15.3681 -15.3681 -14.7085 -14.7085 -14.6941 -14.6941 -4.5774 -4.5774 -4.4039 -4.4039 -3.6888 -3.6888 -3.5226 -3.5226 -3.2151 -3.2151 -3.0768 -3.0768 -2.9545 -2.9545 -2.7192 -2.7192 -2.4793 -2.4793 -2.4000 -2.4000 -1.9653 -1.9653 -1.5659 -1.5659 -0.6404 -0.6404 -0.4492 -0.4492 2.8423 2.8423 2.9848 2.9848 3.1453 3.1453 3.1668 3.1668 7.9536 7.9536 8.1049 8.1049 8.1143 8.1143 8.6010 8.6010 8.6268 8.6268 k = 0.2646 0.5960 0.1932 ( 14106 PWs) bands (ev): -19.0077 -19.0077 -19.0064 -19.0064 -15.4409 -15.4409 -15.3692 -15.3692 -14.7081 -14.7081 -14.6932 -14.6932 -4.5690 -4.5690 -4.3972 -4.3972 -3.6857 -3.6857 -3.5188 -3.5188 -3.2277 -3.2277 -3.0844 -3.0844 -2.9470 -2.9470 -2.7243 -2.7243 -2.4884 -2.4884 -2.3963 -2.3963 -1.9525 -1.9525 -1.5818 -1.5818 -0.6526 -0.6526 -0.4604 -0.4604 2.8580 2.8580 2.9844 2.9844 3.1539 3.1539 3.1599 3.1599 7.9872 7.9872 8.1248 8.1248 8.1396 8.1396 8.6456 8.6456 8.6683 8.6683 k = 0.2480 0.5902 0.2019 ( 14098 PWs) bands (ev): -19.0077 -19.0077 -19.0066 -19.0066 -15.4404 -15.4404 -15.3705 -15.3705 -14.7076 -14.7076 -14.6925 -14.6925 -4.5596 -4.5596 -4.3908 -4.3908 -3.6826 -3.6826 -3.5135 -3.5135 -3.2415 -3.2415 -3.0929 -3.0929 -2.9394 -2.9394 -2.7289 -2.7289 -2.4984 -2.4984 -2.3930 -2.3930 -1.9395 -1.9395 -1.5975 -1.5975 -0.6642 -0.6642 -0.4725 -0.4725 2.8726 2.8726 2.9849 2.9849 3.1519 3.1519 3.1645 3.1645 8.0215 8.0215 8.1458 8.1458 8.1667 8.1667 8.6824 8.6824 8.7194 8.7194 k = 0.2315 0.5845 0.2106 ( 14104 PWs) bands (ev): -19.0077 -19.0077 -19.0067 -19.0067 -15.4396 -15.4396 -15.3721 -15.3721 -14.7070 -14.7070 -14.6919 -14.6919 -4.5494 -4.5494 -4.3846 -4.3846 -3.6796 -3.6796 -3.5068 -3.5068 -3.2563 -3.2563 -3.1022 -3.1022 -2.9315 -2.9315 -2.7330 -2.7330 -2.5086 -2.5086 -2.3906 -2.3906 -1.9263 -1.9263 -1.6129 -1.6129 -0.6751 -0.6751 -0.4856 -0.4856 2.8862 2.8862 2.9862 2.9862 3.1461 3.1461 3.1736 3.1736 8.0557 8.0557 8.1700 8.1700 8.1939 8.1939 8.7147 8.7147 8.7759 8.7759 k = 0.2150 0.5788 0.2192 ( 14103 PWs) bands (ev): -19.0077 -19.0077 -19.0069 -19.0069 -15.4387 -15.4387 -15.3738 -15.3738 -14.7064 -14.7064 -14.6913 -14.6913 -4.5384 -4.5384 -4.3789 -4.3789 -3.6764 -3.6764 -3.4992 -3.4992 -3.2718 -3.2718 -3.1124 -3.1124 -2.9236 -2.9236 -2.7366 -2.7366 -2.5184 -2.5184 -2.3893 -2.3893 -1.9131 -1.9131 -1.6279 -1.6279 -0.6850 -0.6850 -0.4994 -0.4994 2.8987 2.8987 2.9881 2.9881 3.1410 3.1410 3.1825 3.1825 8.0890 8.0890 8.1980 8.1980 8.2209 8.2209 8.7442 8.7442 8.8351 8.8351 k = 0.1984 0.5731 0.2279 ( 14105 PWs) bands (ev): -19.0077 -19.0077 -19.0070 -19.0070 -15.4375 -15.4375 -15.3757 -15.3757 -14.7057 -14.7057 -14.6909 -14.6909 -4.5268 -4.5268 -4.3737 -4.3737 -3.6728 -3.6728 -3.4911 -3.4911 -3.2876 -3.2876 -3.1233 -3.1233 -2.9157 -2.9157 -2.7401 -2.7401 -2.5274 -2.5274 -2.3895 -2.3895 -1.8999 -1.8999 -1.6424 -1.6424 -0.6938 -0.6938 -0.5139 -0.5139 2.9101 2.9101 2.9905 2.9905 3.1370 3.1370 3.1908 3.1908 8.1205 8.1205 8.2298 8.2298 8.2481 8.2481 8.7709 8.7709 8.8961 8.8961 k = 0.1819 0.5674 0.2366 ( 14097 PWs) bands (ev): -19.0078 -19.0078 -19.0071 -19.0071 -15.4361 -15.4361 -15.3779 -15.3779 -14.7049 -14.7049 -14.6905 -14.6905 -4.5146 -4.5146 -4.3692 -4.3692 -3.6686 -3.6686 -3.4831 -3.4831 -3.3032 -3.3032 -3.1350 -3.1350 -2.9076 -2.9076 -2.7436 -2.7436 -2.5352 -2.5352 -2.3911 -2.3911 -1.8868 -1.8868 -1.6561 -1.6561 -0.7015 -0.7015 -0.5290 -0.5290 2.9204 2.9204 2.9932 2.9932 3.1342 3.1342 3.1982 3.1982 8.1501 8.1501 8.2620 8.2620 8.2783 8.2783 8.7943 8.7943 8.9583 8.9583 k = 0.1654 0.5617 0.2453 ( 14092 PWs) bands (ev): -19.0078 -19.0078 -19.0072 -19.0072 -15.4344 -15.4344 -15.3802 -15.3802 -14.7040 -14.7040 -14.6903 -14.6903 -4.5021 -4.5021 -4.3654 -4.3654 -3.6637 -3.6637 -3.4758 -3.4758 -3.3179 -3.3179 -3.1472 -3.1472 -2.8995 -2.8995 -2.7472 -2.7472 -2.5414 -2.5414 -2.3944 -2.3944 -1.8738 -1.8738 -1.6691 -1.6691 -0.7078 -0.7078 -0.5445 -0.5445 2.9298 2.9298 2.9959 2.9959 3.1329 3.1329 3.2046 3.2046 8.1779 8.1779 8.2888 8.2888 8.3162 8.3162 8.8140 8.8140 9.0213 9.0213 k = 0.1488 0.5559 0.2540 ( 14099 PWs) bands (ev): -19.0078 -19.0078 -19.0072 -19.0072 -15.4326 -15.4326 -15.3826 -15.3826 -14.7032 -14.7032 -14.6902 -14.6902 -4.4893 -4.4893 -4.3625 -4.3625 -3.6579 -3.6579 -3.4703 -3.4703 -3.3308 -3.3308 -3.1601 -3.1601 -2.8914 -2.8914 -2.7513 -2.7513 -2.5456 -2.5456 -2.3993 -2.3993 -1.8611 -1.8611 -1.6813 -1.6813 -0.7127 -0.7127 -0.5603 -0.5603 2.9384 2.9384 2.9983 2.9983 3.1330 3.1330 3.2096 3.2096 8.2044 8.2044 8.3113 8.3113 8.3595 8.3595 8.8296 8.8296 9.0848 9.0848 k = 0.1323 0.5502 0.2627 ( 14101 PWs) bands (ev): -19.0079 -19.0079 -19.0073 -19.0073 -15.4306 -15.4306 -15.3852 -15.3852 -14.7022 -14.7022 -14.6903 -14.6903 -4.4763 -4.4763 -4.3606 -4.3606 -3.6512 -3.6512 -3.4678 -3.4678 -3.3405 -3.3405 -3.1734 -3.1734 -2.8831 -2.8831 -2.7560 -2.7560 -2.5478 -2.5478 -2.4058 -2.4058 -1.8488 -1.8488 -1.6927 -1.6927 -0.7161 -0.7161 -0.5762 -0.5762 2.9461 2.9461 3.0001 3.0001 3.1348 3.1348 3.2133 3.2133 8.2298 8.2298 8.3310 8.3310 8.4054 8.4054 8.8405 8.8405 9.1483 9.1483 k = 0.1158 0.5445 0.2713 ( 14101 PWs) bands (ev): -19.0079 -19.0079 -19.0074 -19.0074 -15.4284 -15.4284 -15.3880 -15.3880 -14.7012 -14.7012 -14.6904 -14.6904 -4.4634 -4.4634 -4.3597 -4.3597 -3.6435 -3.6435 -3.4694 -3.4694 -3.3457 -3.3457 -3.1871 -3.1871 -2.8747 -2.8747 -2.7613 -2.7613 -2.5477 -2.5477 -2.4138 -2.4138 -1.8368 -1.8368 -1.7034 -1.7034 -0.7180 -0.7180 -0.5920 -0.5920 2.9532 2.9532 3.0013 3.0013 3.1383 3.1383 3.2154 3.2154 8.2541 8.2541 8.3479 8.3479 8.4524 8.4524 8.8467 8.8467 9.2116 9.2116 k = 0.0992 0.5388 0.2800 ( 14103 PWs) bands (ev): -19.0080 -19.0080 -19.0074 -19.0074 -15.4260 -15.4260 -15.3908 -15.3908 -14.7002 -14.7002 -14.6907 -14.6907 -4.4507 -4.4507 -4.3599 -4.3599 -3.6348 -3.6348 -3.4758 -3.4758 -3.3459 -3.3459 -3.2011 -3.2011 -2.8662 -2.8662 -2.7674 -2.7674 -2.5453 -2.5453 -2.4231 -2.4231 -1.8253 -1.8253 -1.7134 -1.7134 -0.7182 -0.7182 -0.6076 -0.6076 2.9597 2.9597 3.0016 3.0016 3.1433 3.1433 3.2159 3.2159 8.2773 8.2773 8.3621 8.3621 8.4996 8.4996 8.8477 8.8477 9.2745 9.2745 k = 0.0827 0.5331 0.2887 ( 14097 PWs) bands (ev): -19.0080 -19.0080 -19.0074 -19.0074 -15.4235 -15.4235 -15.3938 -15.3938 -14.6992 -14.6992 -14.6910 -14.6910 -4.4383 -4.4383 -4.3613 -4.3613 -3.6249 -3.6249 -3.4862 -3.4862 -3.3415 -3.3415 -3.2153 -3.2153 -2.8577 -2.8577 -2.7741 -2.7741 -2.5408 -2.5408 -2.4335 -2.4335 -1.8142 -1.8142 -1.7228 -1.7228 -0.7168 -0.7168 -0.6228 -0.6228 2.9656 2.9656 3.0011 3.0011 3.1495 3.1495 3.2148 3.2148 8.2991 8.2991 8.3731 8.3731 8.5462 8.5462 8.8435 8.8435 9.3368 9.3368 k = 0.0661 0.5274 0.2974 ( 14098 PWs) bands (ev): -19.0080 -19.0080 -19.0075 -19.0075 -15.4208 -15.4208 -15.3968 -15.3968 -14.6982 -14.6982 -14.6915 -14.6915 -4.4264 -4.4264 -4.3639 -4.3639 -3.6140 -3.6140 -3.4993 -3.4993 -3.3338 -3.3338 -3.2297 -3.2297 -2.8490 -2.8490 -2.7814 -2.7814 -2.5343 -2.5343 -2.4449 -2.4449 -1.8037 -1.8037 -1.7318 -1.7318 -0.7139 -0.7139 -0.6373 -0.6373 2.9711 2.9711 2.9998 2.9998 3.1568 3.1568 3.2123 3.2123 8.3192 8.3192 8.3807 8.3807 8.5915 8.5915 8.8341 8.8341 9.3983 9.3983 k = 0.0496 0.5216 0.3061 ( 14091 PWs) bands (ev): -19.0080 -19.0080 -19.0075 -19.0075 -15.4180 -15.4180 -15.3998 -15.3998 -14.6972 -14.6972 -14.6921 -14.6921 -4.4152 -4.4152 -4.3677 -4.3677 -3.6020 -3.6020 -3.5141 -3.5141 -3.3238 -3.3238 -3.2441 -3.2441 -2.8403 -2.8403 -2.7891 -2.7891 -2.5261 -2.5261 -2.4569 -2.4569 -1.7936 -1.7936 -1.7404 -1.7404 -0.7092 -0.7092 -0.6511 -0.6511 2.9761 2.9761 2.9979 2.9979 3.1648 3.1648 3.2082 3.2082 8.3374 8.3374 8.3849 8.3849 8.6347 8.6347 8.8195 8.8195 9.4590 9.4590 k = 0.0331 0.5159 0.3148 ( 14099 PWs) bands (ev): -19.0081 -19.0081 -19.0075 -19.0075 -15.4151 -15.4151 -15.4029 -15.4029 -14.6962 -14.6962 -14.6928 -14.6928 -4.4047 -4.4047 -4.3728 -4.3728 -3.5890 -3.5890 -3.5295 -3.5295 -3.3122 -3.3122 -3.2584 -3.2584 -2.8316 -2.8316 -2.7973 -2.7973 -2.5164 -2.5164 -2.4692 -2.4692 -1.7840 -1.7840 -1.7489 -1.7489 -0.7031 -0.7031 -0.6639 -0.6639 2.9808 2.9808 2.9954 2.9954 3.1731 3.1731 3.2029 3.2029 8.3531 8.3531 8.3855 8.3855 8.6752 8.6752 8.7997 8.7997 9.5188 9.5188 k = 0.0165 0.5102 0.3234 ( 14102 PWs) bands (ev): -19.0081 -19.0081 -19.0075 -19.0075 -15.4121 -15.4121 -15.4060 -15.4060 -14.6953 -14.6953 -14.6935 -14.6935 -4.3951 -4.3951 -4.3791 -4.3791 -3.5751 -3.5751 -3.5451 -3.5451 -3.2996 -3.2996 -3.2725 -3.2725 -2.8229 -2.8229 -2.8056 -2.8056 -2.5056 -2.5056 -2.4817 -2.4817 -1.7749 -1.7749 -1.7574 -1.7574 -0.6953 -0.6953 -0.6757 -0.6757 2.9850 2.9850 2.9924 2.9924 3.1813 3.1813 3.1965 3.1965 8.3660 8.3660 8.3825 8.3825 8.7125 8.7125 8.7751 8.7751 9.5778 9.5778 k = 0.0000 0.5045 0.3321 ( 14100 PWs) bands (ev): -19.0081 -19.0081 -19.0075 -19.0075 -15.4091 -15.4091 -15.4091 -15.4091 -14.6945 -14.6945 -14.6942 -14.6942 -4.3866 -4.3866 -4.3865 -4.3865 -3.5605 -3.5605 -3.5603 -3.5603 -3.2864 -3.2864 -3.2862 -3.2862 -2.8143 -2.8143 -2.8141 -2.8141 -2.4940 -2.4940 -2.4938 -2.4938 -1.7661 -1.7661 -1.7659 -1.7659 -0.6863 -0.6863 -0.6861 -0.6861 2.9888 2.9888 2.9890 2.9890 3.1891 3.1891 3.1893 3.1893 8.3759 8.3759 8.3760 8.3760 8.7458 8.7458 8.7460 8.7460 9.6361 9.6362 k = 0.0000 0.5045 0.3321 ( 14100 PWs) bands (ev): -19.0081 -19.0081 -19.0075 -19.0075 -15.4091 -15.4091 -15.4091 -15.4091 -14.6945 -14.6945 -14.6942 -14.6942 -4.3866 -4.3866 -4.3865 -4.3865 -3.5605 -3.5605 -3.5603 -3.5603 -3.2864 -3.2864 -3.2862 -3.2862 -2.8143 -2.8143 -2.8141 -2.8141 -2.4940 -2.4940 -2.4938 -2.4938 -1.7661 -1.7661 -1.7659 -1.7659 -0.6863 -0.6863 -0.6861 -0.6861 2.9888 2.9888 2.9890 2.9890 3.1891 3.1891 3.1893 3.1893 8.3759 8.3759 8.3760 8.3760 8.7458 8.7458 8.7460 8.7460 9.6362 9.6362 k = 0.0100 0.4957 0.3454 ( 14094 PWs) bands (ev): -19.0081 -19.0081 -19.0075 -19.0075 -15.4091 -15.4091 -15.4091 -15.4091 -14.6945 -14.6945 -14.6942 -14.6942 -4.3888 -4.3888 -4.3847 -4.3847 -3.5730 -3.5730 -3.5474 -3.5474 -3.2984 -3.2984 -3.2739 -3.2739 -2.8164 -2.8164 -2.8124 -2.8124 -2.4999 -2.4999 -2.4877 -2.4877 -1.7698 -1.7698 -1.7618 -1.7618 -0.6877 -0.6877 -0.6848 -0.6848 2.9880 2.9880 2.9886 2.9886 3.1891 3.1891 3.1897 3.1897 8.3765 8.3765 8.3774 8.3774 8.7457 8.7457 8.7473 8.7473 9.6354 9.6357 k = 0.0200 0.4870 0.3587 ( 14100 PWs) bands (ev): -19.0081 -19.0081 -19.0075 -19.0075 -15.4093 -15.4093 -15.4093 -15.4093 -14.6943 -14.6943 -14.6940 -14.6940 -4.3914 -4.3914 -4.3834 -4.3834 -3.5849 -3.5849 -3.5342 -3.5342 -3.3100 -3.3100 -3.2613 -3.2613 -2.8190 -2.8190 -2.8111 -2.8111 -2.5055 -2.5055 -2.4815 -2.4815 -1.7732 -1.7732 -1.7574 -1.7574 -0.6893 -0.6893 -0.6836 -0.6836 2.9859 2.9859 2.9871 2.9871 3.1891 3.1891 3.1903 3.1903 8.3791 8.3791 8.3808 8.3808 8.7467 8.7467 8.7499 8.7499 9.6343 9.6343 k = 0.0300 0.4783 0.3720 ( 14102 PWs) bands (ev): -19.0080 -19.0080 -19.0075 -19.0075 -15.4096 -15.4096 -15.4096 -15.4096 -14.6941 -14.6941 -14.6937 -14.6937 -4.3944 -4.3944 -4.3825 -4.3825 -3.5961 -3.5961 -3.5212 -3.5212 -3.3207 -3.3207 -3.2489 -3.2489 -2.8219 -2.8219 -2.8102 -2.8102 -2.5107 -2.5107 -2.4753 -2.4753 -1.7760 -1.7760 -1.7527 -1.7527 -0.6909 -0.6909 -0.6826 -0.6826 2.9828 2.9828 2.9845 2.9845 3.1892 3.1892 3.1910 3.1910 8.3836 8.3836 8.3862 8.3862 8.7489 8.7489 8.7536 8.7536 9.6330 9.6330 k = 0.0400 0.4695 0.3853 ( 14108 PWs) bands (ev): -19.0080 -19.0080 -19.0075 -19.0075 -15.4099 -15.4099 -15.4099 -15.4099 -14.6937 -14.6937 -14.6934 -14.6934 -4.3976 -4.3976 -4.3822 -4.3822 -3.6064 -3.6064 -3.5089 -3.5089 -3.3300 -3.3300 -3.2366 -3.2366 -2.8250 -2.8250 -2.8098 -2.8098 -2.5154 -2.5154 -2.4694 -2.4694 -1.7782 -1.7782 -1.7478 -1.7478 -0.6927 -0.6927 -0.6817 -0.6817 2.9787 2.9787 2.9810 2.9810 3.1893 3.1893 3.1917 3.1917 8.3900 8.3900 8.3935 8.3935 8.7522 8.7522 8.7584 8.7584 9.6314 9.6314 k = 0.0500 0.4608 0.3986 ( 14110 PWs) bands (ev): -19.0080 -19.0080 -19.0074 -19.0074 -15.4104 -15.4104 -15.4104 -15.4104 -14.6932 -14.6932 -14.6929 -14.6929 -4.4011 -4.4011 -4.3824 -4.3824 -3.6158 -3.6158 -3.4981 -3.4981 -3.3372 -3.3372 -3.2246 -3.2246 -2.8283 -2.8283 -2.8098 -2.8098 -2.5196 -2.5196 -2.4639 -2.4639 -1.7797 -1.7797 -1.7429 -1.7429 -0.6945 -0.6945 -0.6811 -0.6811 2.9741 2.9741 2.9769 2.9769 3.1892 3.1892 3.1922 3.1922 8.3983 8.3983 8.4025 8.4025 8.7564 8.7564 8.7642 8.7642 9.6297 9.6297 k = 0.0600 0.4520 0.4118 ( 14110 PWs) bands (ev): -19.0079 -19.0079 -19.0074 -19.0074 -15.4109 -15.4109 -15.4109 -15.4109 -14.6927 -14.6927 -14.6924 -14.6924 -4.4047 -4.4047 -4.3831 -4.3831 -3.6242 -3.6242 -3.4897 -3.4897 -3.3414 -3.3414 -3.2130 -3.2130 -2.8317 -2.8317 -2.8100 -2.8100 -2.5234 -2.5234 -2.4591 -2.4591 -1.7804 -1.7804 -1.7378 -1.7378 -0.6963 -0.6963 -0.6808 -0.6808 2.9690 2.9690 2.9724 2.9724 3.1887 3.1887 3.1923 3.1923 8.4083 8.4083 8.4132 8.4132 8.7616 8.7616 8.7707 8.7707 9.6282 9.6282 k = 0.0700 0.4433 0.4251 ( 14112 PWs) bands (ev): -19.0079 -19.0079 -19.0074 -19.0074 -15.4115 -15.4115 -15.4115 -15.4115 -14.6921 -14.6921 -14.6917 -14.6917 -4.4084 -4.4084 -4.3843 -4.3843 -3.6317 -3.6317 -3.4846 -3.4846 -3.3419 -3.3419 -3.2019 -3.2019 -2.8350 -2.8350 -2.8104 -2.8104 -2.5267 -2.5267 -2.4550 -2.4550 -1.7803 -1.7803 -1.7328 -1.7328 -0.6982 -0.6982 -0.6808 -0.6808 2.9637 2.9637 2.9678 2.9678 3.1877 3.1877 3.1919 3.1919 8.4198 8.4198 8.4253 8.4253 8.7675 8.7675 8.7779 8.7779 9.6269 9.6269 k = 0.0800 0.4345 0.4384 ( 14122 PWs) bands (ev): -19.0079 -19.0079 -19.0073 -19.0073 -15.4122 -15.4122 -15.4122 -15.4122 -14.6914 -14.6914 -14.6911 -14.6911 -4.4121 -4.4121 -4.3860 -4.3860 -3.6381 -3.6381 -3.4833 -3.4833 -3.3381 -3.3381 -3.1914 -3.1914 -2.8381 -2.8381 -2.8109 -2.8109 -2.5297 -2.5297 -2.4518 -2.4518 -1.7793 -1.7793 -1.7278 -1.7278 -0.7001 -0.7001 -0.6810 -0.6810 2.9585 2.9585 2.9632 2.9632 3.1860 3.1860 3.1908 3.1908 8.4328 8.4328 8.4389 8.4389 8.7740 8.7740 8.7855 8.7855 9.6262 9.6262 k = 0.0900 0.4258 0.4517 ( 14124 PWs) bands (ev): -19.0078 -19.0078 -19.0073 -19.0073 -15.4129 -15.4129 -15.4129 -15.4129 -14.6906 -14.6906 -14.6903 -14.6903 -4.4158 -4.4158 -4.3882 -4.3882 -3.6436 -3.6436 -3.4857 -3.4857 -3.3302 -3.3302 -3.1815 -3.1815 -2.8411 -2.8411 -2.8113 -2.8113 -2.5323 -2.5323 -2.4497 -2.4497 -1.7774 -1.7774 -1.7228 -1.7228 -0.7019 -0.7019 -0.6816 -0.6816 2.9536 2.9536 2.9589 2.9589 3.1834 3.1834 3.1889 3.1889 8.4471 8.4471 8.4536 8.4536 8.7808 8.7808 8.7933 8.7933 9.6262 9.6262 k = 0.1000 0.4170 0.4650 ( 14114 PWs) bands (ev): -19.0077 -19.0077 -19.0072 -19.0072 -15.4137 -15.4137 -15.4137 -15.4137 -14.6898 -14.6898 -14.6895 -14.6895 -4.4195 -4.4195 -4.3908 -4.3908 -3.6481 -3.6481 -3.4911 -3.4911 -3.3192 -3.3192 -3.1724 -3.1724 -2.8436 -2.8436 -2.8116 -2.8116 -2.5348 -2.5348 -2.4487 -2.4487 -1.7746 -1.7746 -1.7179 -1.7179 -0.7038 -0.7038 -0.6825 -0.6825 2.9491 2.9491 2.9551 2.9551 3.1800 3.1800 3.1861 3.1861 8.4624 8.4624 8.4692 8.4692 8.7878 8.7878 8.8010 8.8010 9.6273 9.6273 k = 0.1100 0.4083 0.4783 ( 14120 PWs) bands (ev): -19.0077 -19.0077 -19.0072 -19.0072 -15.4145 -15.4145 -15.4145 -15.4145 -14.6890 -14.6890 -14.6887 -14.6887 -4.4230 -4.4230 -4.3937 -4.3937 -3.6517 -3.6517 -3.4986 -3.4986 -3.3059 -3.3059 -3.1641 -3.1641 -2.8458 -2.8458 -2.8115 -2.8115 -2.5372 -2.5372 -2.4489 -2.4489 -1.7710 -1.7710 -1.7131 -1.7131 -0.7057 -0.7057 -0.6837 -0.6837 2.9454 2.9454 2.9520 2.9520 3.1756 3.1756 3.1823 3.1823 8.4787 8.4787 8.4857 8.4857 8.7946 8.7946 8.8082 8.8082 9.6294 9.6294 k = 0.1200 0.3995 0.4916 ( 14118 PWs) bands (ev): -19.0076 -19.0076 -19.0071 -19.0071 -15.4154 -15.4154 -15.4153 -15.4153 -14.6882 -14.6882 -14.6879 -14.6879 -4.4263 -4.4263 -4.3969 -4.3969 -3.6544 -3.6544 -3.5075 -3.5075 -3.2913 -3.2913 -3.1566 -3.1566 -2.8474 -2.8474 -2.8111 -2.8111 -2.5394 -2.5394 -2.4502 -2.4502 -1.7665 -1.7665 -1.7086 -1.7086 -0.7075 -0.7075 -0.6852 -0.6852 2.9424 2.9424 2.9497 2.9497 3.1702 3.1702 3.1776 3.1776 8.4957 8.4957 8.5027 8.5027 8.8011 8.8011 8.8148 8.8148 9.6325 9.6325 k = 0.1300 0.3908 0.5048 ( 14118 PWs) bands (ev): -19.0076 -19.0076 -19.0070 -19.0070 -15.4162 -15.4162 -15.4162 -15.4162 -14.6873 -14.6873 -14.6870 -14.6870 -4.4294 -4.4294 -4.4004 -4.4004 -3.6563 -3.6563 -3.5172 -3.5172 -3.2759 -3.2759 -3.1501 -3.1501 -2.8484 -2.8484 -2.8102 -2.8102 -2.5417 -2.5417 -2.4528 -2.4528 -1.7613 -1.7613 -1.7042 -1.7042 -0.7093 -0.7093 -0.6871 -0.6871 2.9404 2.9404 2.9482 2.9482 3.1639 3.1639 3.1719 3.1719 8.5133 8.5133 8.5202 8.5202 8.8070 8.8070 8.8204 8.8204 9.6365 9.6365 k = 0.1400 0.3820 0.5181 ( 14114 PWs) bands (ev): -19.0075 -19.0075 -19.0070 -19.0070 -15.4170 -15.4170 -15.4170 -15.4170 -14.6865 -14.6865 -14.6862 -14.6862 -4.4323 -4.4323 -4.4041 -4.4041 -3.6573 -3.6573 -3.5272 -3.5272 -3.2604 -3.2604 -3.1445 -3.1445 -2.8487 -2.8487 -2.8089 -2.8089 -2.5439 -2.5439 -2.4565 -2.4565 -1.7555 -1.7555 -1.7001 -1.7001 -0.7110 -0.7110 -0.6892 -0.6892 2.9394 2.9394 2.9478 2.9478 3.1567 3.1567 3.1653 3.1653 8.5311 8.5311 8.5377 8.5377 8.8121 8.8121 8.8249 8.8249 9.6408 9.6408 k = 0.1500 0.3733 0.5314 ( 14114 PWs) bands (ev): -19.0075 -19.0075 -19.0069 -19.0069 -15.4178 -15.4178 -15.4178 -15.4178 -14.6857 -14.6857 -14.6854 -14.6854 -4.4348 -4.4348 -4.4079 -4.4079 -3.6575 -3.6575 -3.5375 -3.5375 -3.2451 -3.2451 -3.1399 -3.1399 -2.8482 -2.8482 -2.8073 -2.8073 -2.5460 -2.5460 -2.4612 -2.4612 -1.7492 -1.7492 -1.6963 -1.6963 -0.7127 -0.7127 -0.6915 -0.6915 2.9394 2.9394 2.9483 2.9483 3.1487 3.1487 3.1578 3.1578 8.5491 8.5491 8.5553 8.5553 8.8162 8.8162 8.8282 8.8282 9.6446 9.6447 k = 0.1600 0.3646 0.5447 ( 14108 PWs) bands (ev): -19.0074 -19.0074 -19.0069 -19.0069 -15.4186 -15.4186 -15.4186 -15.4186 -14.6849 -14.6849 -14.6846 -14.6846 -4.4371 -4.4371 -4.4117 -4.4117 -3.6571 -3.6571 -3.5477 -3.5477 -3.2303 -3.2303 -3.1362 -3.1362 -2.8469 -2.8469 -2.8054 -2.8054 -2.5480 -2.5480 -2.4670 -2.4670 -1.7425 -1.7425 -1.6929 -1.6929 -0.7141 -0.7141 -0.6940 -0.6940 2.9405 2.9405 2.9499 2.9499 3.1401 3.1401 3.1495 3.1495 8.5669 8.5669 8.5726 8.5726 8.8193 8.8193 8.8301 8.8301 9.6473 9.6473 k = 0.1700 0.3558 0.5580 ( 14110 PWs) bands (ev): -19.0073 -19.0073 -19.0068 -19.0068 -15.4193 -15.4193 -15.4193 -15.4193 -14.6842 -14.6842 -14.6838 -14.6838 -4.4389 -4.4389 -4.4155 -4.4155 -3.6559 -3.6559 -3.5577 -3.5577 -3.2163 -3.2163 -3.1335 -3.1335 -2.8448 -2.8448 -2.8034 -2.8034 -2.5497 -2.5497 -2.4735 -2.4735 -1.7356 -1.7356 -1.6900 -1.6900 -0.7154 -0.7154 -0.6967 -0.6967 2.9427 2.9427 2.9523 2.9523 3.1309 3.1309 3.1406 3.1406 8.5844 8.5844 8.5894 8.5894 8.8212 8.8212 8.8307 8.8307 9.6479 9.6482 k = 0.1800 0.3471 0.5713 ( 14092 PWs) bands (ev): -19.0073 -19.0073 -19.0068 -19.0068 -15.4200 -15.4200 -15.4200 -15.4200 -14.6835 -14.6835 -14.6832 -14.6832 -4.4404 -4.4404 -4.4192 -4.4192 -3.6540 -3.6540 -3.5674 -3.5674 -3.2032 -3.2032 -3.1317 -3.1317 -2.8418 -2.8418 -2.8015 -2.8015 -2.5510 -2.5510 -2.4808 -2.4808 -1.7287 -1.7287 -1.6876 -1.6876 -0.7165 -0.7165 -0.6994 -0.6994 2.9459 2.9459 2.9557 2.9557 3.1214 3.1214 3.1312 3.1312 8.6012 8.6012 8.6055 8.6055 8.8221 8.8221 8.8301 8.8301 9.6457 9.6460 k = 0.1900 0.3383 0.5845 ( 14092 PWs) bands (ev): -19.0072 -19.0072 -19.0067 -19.0067 -15.4206 -15.4206 -15.4206 -15.4206 -14.6829 -14.6829 -14.6826 -14.6826 -4.4415 -4.4415 -4.4228 -4.4228 -3.6515 -3.6515 -3.5769 -3.5769 -3.1911 -3.1911 -3.1308 -3.1308 -2.8380 -2.8380 -2.8000 -2.8000 -2.5517 -2.5517 -2.4886 -2.4886 -1.7219 -1.7219 -1.6858 -1.6858 -0.7173 -0.7173 -0.7021 -0.7021 2.9500 2.9500 2.9597 2.9597 3.1118 3.1118 3.1216 3.1216 8.6171 8.6171 8.6206 8.6206 8.8220 8.8220 8.8285 8.8285 9.6409 9.6410 k = 0.2000 0.3296 0.5978 ( 14084 PWs) bands (ev): -19.0072 -19.0072 -19.0067 -19.0067 -15.4211 -15.4211 -15.4211 -15.4211 -14.6823 -14.6823 -14.6820 -14.6820 -4.4421 -4.4421 -4.4262 -4.4262 -3.6484 -3.6484 -3.5859 -3.5859 -3.1803 -3.1803 -3.1308 -3.1308 -2.8336 -2.8336 -2.7991 -2.7991 -2.5516 -2.5516 -2.4967 -2.4967 -1.7153 -1.7153 -1.6846 -1.6846 -0.7179 -0.7179 -0.7048 -0.7048 2.9548 2.9548 2.9642 2.9642 3.1025 3.1025 3.1119 3.1119 8.6317 8.6317 8.6344 8.6344 8.8211 8.8211 8.8261 8.8261 9.6351 9.6352 k = 0.2100 0.3208 0.6111 ( 14076 PWs) bands (ev): -19.0072 -19.0072 -19.0066 -19.0066 -15.4215 -15.4215 -15.4215 -15.4215 -14.6819 -14.6819 -14.6816 -14.6816 -4.4423 -4.4423 -4.4294 -4.4294 -3.6446 -3.6446 -3.5945 -3.5945 -3.1706 -3.1706 -3.1316 -3.1316 -2.8287 -2.8287 -2.7991 -2.7991 -2.5505 -2.5505 -2.5049 -2.5049 -1.7091 -1.7091 -1.6842 -1.6842 -0.7181 -0.7181 -0.7074 -0.7074 2.9600 2.9600 2.9688 2.9688 3.0938 3.0938 3.1026 3.1026 8.6446 8.6446 8.6466 8.6466 8.8196 8.8196 8.8233 8.8233 9.6294 9.6294 k = 0.2200 0.3121 0.6244 ( 14072 PWs) bands (ev): -19.0072 -19.0072 -19.0066 -19.0066 -15.4219 -15.4219 -15.4219 -15.4219 -14.6815 -14.6815 -14.6812 -14.6812 -4.4421 -4.4421 -4.4323 -4.4323 -3.6403 -3.6403 -3.6026 -3.6026 -3.1621 -3.1621 -3.1332 -3.1332 -2.8234 -2.8234 -2.7999 -2.7999 -2.5483 -2.5483 -2.5131 -2.5131 -1.7034 -1.7034 -1.6845 -1.6845 -0.7180 -0.7180 -0.7098 -0.7098 2.9654 2.9654 2.9730 2.9730 3.0864 3.0864 3.0939 3.0939 8.6554 8.6554 8.6567 8.6567 8.8179 8.8179 8.8204 8.8204 9.6243 9.6244 k = 0.2300 0.3033 0.6377 ( 14072 PWs) bands (ev): -19.0071 -19.0071 -19.0066 -19.0066 -15.4221 -15.4221 -15.4221 -15.4221 -14.6813 -14.6813 -14.6810 -14.6810 -4.4415 -4.4415 -4.4349 -4.4349 -3.6354 -3.6354 -3.6102 -3.6102 -3.1548 -3.1548 -3.1357 -3.1357 -2.8182 -2.8182 -2.8018 -2.8018 -2.5449 -2.5449 -2.5209 -2.5209 -1.6984 -1.6984 -1.6857 -1.6857 -0.7175 -0.7175 -0.7120 -0.7120 2.9705 2.9705 2.9761 2.9761 3.0809 3.0809 3.0865 3.0865 8.6637 8.6637 8.6644 8.6644 8.8163 8.8163 8.8178 8.8178 9.6205 9.6206 k = 0.2400 0.2946 0.6510 ( 14068 PWs) bands (ev): -19.0071 -19.0071 -19.0066 -19.0066 -15.4223 -15.4223 -15.4223 -15.4223 -14.6811 -14.6811 -14.6808 -14.6808 -4.4405 -4.4405 -4.4371 -4.4371 -3.6299 -3.6299 -3.6173 -3.6173 -3.1485 -3.1485 -3.1391 -3.1391 -2.8132 -2.8132 -2.8048 -2.8048 -2.5404 -2.5404 -2.5282 -2.5282 -1.6940 -1.6940 -1.6876 -1.6876 -0.7166 -0.7166 -0.7138 -0.7138 2.9746 2.9746 2.9777 2.9777 3.0779 3.0779 3.0810 3.0810 8.6688 8.6688 8.6692 8.6692 8.8153 8.8153 8.8160 8.8160 9.6184 9.6189 k = 0.2500 0.2858 0.6643 ( 14072 PWs) bands (ev): -19.0071 -19.0071 -19.0066 -19.0066 -15.4223 -15.4223 -15.4223 -15.4223 -14.6811 -14.6811 -14.6808 -14.6808 -4.4390 -4.4390 -4.4390 -4.4390 -3.6239 -3.6239 -3.6238 -3.6238 -3.1434 -3.1434 -3.1432 -3.1432 -2.8087 -2.8087 -2.8085 -2.8085 -2.5349 -2.5349 -2.5347 -2.5347 -1.6905 -1.6905 -1.6903 -1.6903 -0.7155 -0.7155 -0.7153 -0.7153 2.9771 2.9771 2.9773 2.9773 3.0779 3.0779 3.0780 3.0780 8.6707 8.6707 8.6708 8.6708 8.8150 8.8150 8.8152 8.8152 9.6178 9.6179 k = 0.2500 0.2858 0.6643 ( 14072 PWs) bands (ev): -19.0071 -19.0071 -19.0066 -19.0066 -15.4223 -15.4223 -15.4223 -15.4223 -14.6811 -14.6811 -14.6808 -14.6808 -4.4390 -4.4390 -4.4390 -4.4390 -3.6239 -3.6239 -3.6238 -3.6238 -3.1434 -3.1434 -3.1432 -3.1432 -2.8087 -2.8087 -2.8085 -2.8085 -2.5349 -2.5349 -2.5347 -2.5347 -1.6905 -1.6905 -1.6903 -1.6903 -0.7155 -0.7155 -0.7153 -0.7153 2.9771 2.9771 2.9773 2.9773 3.0779 3.0779 3.0780 3.0780 8.6707 8.6707 8.6708 8.6708 8.8150 8.8150 8.8152 8.8152 9.6178 9.6178 k = 0.2583 0.2954 0.6498 ( 14072 PWs) bands (ev): -19.0073 -19.0073 -19.0064 -19.0064 -15.4262 -15.4262 -15.4184 -15.4184 -14.6824 -14.6824 -14.6795 -14.6795 -4.4457 -4.4457 -4.4323 -4.4323 -3.6410 -3.6410 -3.6061 -3.6061 -3.1472 -3.1472 -3.1398 -3.1398 -2.8220 -2.8220 -2.7954 -2.7954 -2.5396 -2.5396 -2.5292 -2.5292 -1.7073 -1.7073 -1.6744 -1.6744 -0.7242 -0.7242 -0.7065 -0.7065 2.9709 2.9709 2.9822 2.9822 3.0656 3.0656 3.0920 3.0920 8.6372 8.6372 8.7004 8.7004 8.8037 8.8037 8.8280 8.8280 9.6113 9.6113 k = 0.2667 0.3049 0.6353 ( 14072 PWs) bands (ev): -19.0076 -19.0076 -19.0061 -19.0061 -15.4299 -15.4299 -15.4145 -15.4145 -14.6837 -14.6837 -14.6784 -14.6784 -4.4524 -4.4524 -4.4259 -4.4259 -3.6574 -3.6574 -3.5877 -3.5877 -3.1516 -3.1516 -3.1367 -3.1367 -2.8347 -2.8347 -2.7833 -2.7833 -2.5428 -2.5428 -2.5234 -2.5234 -1.7246 -1.7246 -1.6596 -1.6596 -0.7326 -0.7326 -0.6977 -0.6977 2.9650 2.9650 2.9847 2.9847 3.0545 3.0545 3.1078 3.1078 8.6034 8.6034 8.7206 8.7206 8.7906 8.7906 8.8470 8.8470 9.6077 9.6077 k = 0.2750 0.3144 0.6208 ( 14079 PWs) bands (ev): -19.0079 -19.0079 -19.0058 -19.0058 -15.4334 -15.4334 -15.4105 -15.4105 -14.6851 -14.6851 -14.6774 -14.6774 -4.4592 -4.4592 -4.4196 -4.4196 -3.6730 -3.6730 -3.5691 -3.5691 -3.1563 -3.1563 -3.1341 -3.1341 -2.8469 -2.8469 -2.7726 -2.7726 -2.5443 -2.5443 -2.5174 -2.5174 -1.7422 -1.7422 -1.6461 -1.6461 -0.7404 -0.7404 -0.6888 -0.6888 2.9595 2.9595 2.9848 2.9848 3.0451 3.0451 3.1246 3.1246 8.5694 8.5694 8.7296 8.7296 8.7760 8.7760 8.8723 8.8723 9.6071 9.6071 k = 0.2833 0.3240 0.6064 ( 14083 PWs) bands (ev): -19.0082 -19.0082 -19.0055 -19.0055 -15.4368 -15.4368 -15.4066 -15.4066 -14.6866 -14.6866 -14.6764 -14.6764 -4.4660 -4.4660 -4.4137 -4.4137 -3.6876 -3.6876 -3.5504 -3.5504 -3.1613 -3.1613 -3.1317 -3.1317 -2.8583 -2.8583 -2.7634 -2.7634 -2.5439 -2.5439 -2.5111 -2.5111 -1.7599 -1.7599 -1.6340 -1.6340 -0.7475 -0.7475 -0.6798 -0.6798 2.9544 2.9544 2.9828 2.9828 3.0378 3.0378 3.1414 3.1414 8.5357 8.5357 8.7276 8.7276 8.7616 8.7616 8.9012 8.9012 9.6094 9.6094 k = 0.2917 0.3335 0.5919 ( 14084 PWs) bands (ev): -19.0085 -19.0085 -19.0053 -19.0053 -15.4399 -15.4399 -15.4028 -15.4028 -14.6881 -14.6881 -14.6756 -14.6756 -4.4730 -4.4730 -4.4081 -4.4081 -3.7011 -3.7011 -3.5320 -3.5320 -3.1664 -3.1664 -3.1297 -3.1297 -2.8691 -2.8691 -2.7559 -2.7559 -2.5418 -2.5418 -2.5045 -2.5045 -1.7777 -1.7777 -1.6233 -1.6233 -0.7537 -0.7537 -0.6706 -0.6706 2.9498 2.9498 2.9788 2.9788 3.0327 3.0327 3.1576 3.1576 8.5025 8.5025 8.7146 8.7146 8.7493 8.7493 8.9301 8.9301 9.6146 9.6146 k = 0.3000 0.3430 0.5774 ( 14087 PWs) bands (ev): -19.0087 -19.0087 -19.0051 -19.0051 -15.4429 -15.4429 -15.3990 -15.3990 -14.6896 -14.6896 -14.6749 -14.6749 -4.4800 -4.4800 -4.4029 -4.4029 -3.7135 -3.7135 -3.5142 -3.5142 -3.1714 -3.1714 -3.1278 -3.1278 -2.8790 -2.8790 -2.7502 -2.7502 -2.5381 -2.5381 -2.4972 -2.4972 -1.7954 -1.7954 -1.6140 -1.6140 -0.7591 -0.7591 -0.6612 -0.6612 2.9457 2.9457 2.9736 2.9736 3.0296 3.0296 3.1726 3.1726 8.4702 8.4702 8.6929 8.6929 8.7384 8.7384 8.9561 8.9561 9.6229 9.6229 k = 0.3083 0.3525 0.5630 ( 14090 PWs) bands (ev): -19.0089 -19.0089 -19.0049 -19.0049 -15.4457 -15.4457 -15.3954 -15.3954 -14.6911 -14.6911 -14.6744 -14.6744 -4.4873 -4.4873 -4.3981 -4.3981 -3.7246 -3.7246 -3.4974 -3.4974 -3.1762 -3.1762 -3.1261 -3.1261 -2.8881 -2.8881 -2.7462 -2.7462 -2.5332 -2.5332 -2.4893 -2.4893 -1.8130 -1.8130 -1.6060 -1.6060 -0.7634 -0.7634 -0.6515 -0.6515 2.9421 2.9421 2.9677 2.9677 3.0280 3.0280 3.1861 3.1861 8.4389 8.4389 8.6659 8.6659 8.7266 8.7266 8.9767 8.9767 9.6340 9.6340 k = 0.3167 0.3621 0.5485 ( 14093 PWs) bands (ev): -19.0091 -19.0091 -19.0048 -19.0048 -15.4482 -15.4482 -15.3918 -15.3918 -14.6926 -14.6926 -14.6740 -14.6740 -4.4947 -4.4947 -4.3937 -4.3937 -3.7343 -3.7343 -3.4822 -3.4822 -3.1804 -3.1804 -3.1243 -3.1243 -2.8962 -2.8962 -2.7438 -2.7438 -2.5275 -2.5275 -2.4806 -2.4806 -1.8301 -1.8301 -1.5994 -1.5994 -0.7665 -0.7665 -0.6415 -0.6415 2.9389 2.9389 2.9619 2.9619 3.0275 3.0275 3.1976 3.1976 8.4090 8.4090 8.6352 8.6352 8.7131 8.7131 8.9898 8.9898 9.6478 9.6478 k = 0.3250 0.3716 0.5340 ( 14096 PWs) bands (ev): -19.0092 -19.0092 -19.0046 -19.0046 -15.4505 -15.4505 -15.3884 -15.3884 -14.6941 -14.6941 -14.6737 -14.6737 -4.5022 -4.5022 -4.3898 -4.3898 -3.7428 -3.7428 -3.4691 -3.4691 -3.1838 -3.1838 -3.1223 -3.1223 -2.9034 -2.9034 -2.7427 -2.7427 -2.5214 -2.5214 -2.4710 -2.4710 -1.8469 -1.8469 -1.5940 -1.5940 -0.7686 -0.7686 -0.6312 -0.6312 2.9363 2.9363 2.9565 2.9565 3.0278 3.0278 3.2070 3.2070 8.3807 8.3807 8.6015 8.6015 8.6976 8.6976 8.9935 8.9935 9.6641 9.6641 k = 0.3333 0.3811 0.5195 ( 14100 PWs) bands (ev): -19.0093 -19.0093 -19.0046 -19.0046 -15.4526 -15.4526 -15.3851 -15.3851 -14.6956 -14.6956 -14.6735 -14.6735 -4.5100 -4.5100 -4.3864 -4.3864 -3.7498 -3.7498 -3.4586 -3.4586 -3.1861 -3.1861 -3.1200 -3.1200 -2.9097 -2.9097 -2.7428 -2.7428 -2.5152 -2.5152 -2.4608 -2.4608 -1.8629 -1.8629 -1.5898 -1.5898 -0.7694 -0.7694 -0.6206 -0.6206 2.9341 2.9341 2.9519 2.9519 3.0285 3.0285 3.2139 3.2139 8.3543 8.3543 8.5654 8.5654 8.6802 8.6802 8.9868 8.9868 9.6720 9.6720 k = 0.3417 0.3906 0.5051 ( 14096 PWs) bands (ev): -19.0094 -19.0094 -19.0045 -19.0045 -15.4544 -15.4544 -15.3820 -15.3820 -14.6970 -14.6970 -14.6735 -14.6735 -4.5179 -4.5179 -4.3834 -4.3834 -3.7554 -3.7554 -3.4510 -3.4510 -3.1871 -3.1871 -3.1170 -3.1170 -2.9149 -2.9149 -2.7437 -2.7437 -2.5091 -2.5091 -2.4500 -2.4500 -1.8783 -1.8783 -1.5867 -1.5867 -0.7691 -0.7691 -0.6096 -0.6096 2.9325 2.9325 2.9483 2.9483 3.0296 3.0296 3.2184 3.2184 8.3300 8.3300 8.5273 8.5273 8.6610 8.6610 8.9697 8.9697 9.6291 9.6291 k = 0.3500 0.4002 0.4906 ( 14105 PWs) bands (ev): -19.0095 -19.0095 -19.0044 -19.0044 -15.4560 -15.4560 -15.3791 -15.3791 -14.6983 -14.6983 -14.6737 -14.6737 -4.5259 -4.5259 -4.3811 -4.3811 -3.7597 -3.7597 -3.4468 -3.4468 -3.1866 -3.1866 -3.1133 -3.1133 -2.9192 -2.9192 -2.7453 -2.7453 -2.5031 -2.5031 -2.4390 -2.4390 -1.8927 -1.8927 -1.5845 -1.5845 -0.7675 -0.7675 -0.5984 -0.5984 2.9313 2.9313 2.9457 2.9457 3.0311 3.0311 3.2202 3.2202 8.3079 8.3079 8.4877 8.4877 8.6401 8.6401 8.9428 8.9428 9.5817 9.5817 k = 0.3583 0.4097 0.4761 ( 14114 PWs) bands (ev): -19.0095 -19.0095 -19.0044 -19.0044 -15.4573 -15.4573 -15.3764 -15.3764 -14.6996 -14.6996 -14.6740 -14.6740 -4.5340 -4.5340 -4.3792 -4.3792 -3.7625 -3.7625 -3.4461 -3.4461 -3.1849 -3.1849 -3.1088 -3.1088 -2.9225 -2.9225 -2.7474 -2.7474 -2.4973 -2.4973 -2.4283 -2.4283 -1.9060 -1.9060 -1.5832 -1.5832 -0.7646 -0.7646 -0.5869 -0.5869 2.9308 2.9308 2.9440 2.9440 3.0328 3.0328 3.2193 3.2193 8.2882 8.2882 8.4469 8.4469 8.6175 8.6175 8.9077 8.9077 9.5304 9.5304 k = 0.3667 0.4192 0.4616 ( 14108 PWs) bands (ev): -19.0095 -19.0095 -19.0044 -19.0044 -15.4584 -15.4584 -15.3739 -15.3739 -14.7009 -14.7009 -14.6744 -14.6744 -4.5420 -4.5420 -4.3780 -4.3780 -3.7640 -3.7640 -3.4485 -3.4485 -3.1822 -3.1822 -3.1032 -3.1032 -2.9251 -2.9251 -2.7498 -2.7498 -2.4916 -2.4916 -2.4182 -2.4182 -1.9181 -1.9181 -1.5824 -1.5824 -0.7606 -0.7606 -0.5753 -0.5753 2.9308 2.9308 2.9433 2.9433 3.0348 3.0348 3.2159 3.2159 8.2710 8.2710 8.4053 8.4053 8.5935 8.5935 8.8664 8.8664 9.4753 9.4753 k = 0.3750 0.4288 0.4472 ( 14112 PWs) bands (ev): -19.0094 -19.0094 -19.0045 -19.0045 -15.4592 -15.4592 -15.3716 -15.3716 -14.7020 -14.7020 -14.6750 -14.6750 -4.5501 -4.5501 -4.3773 -4.3773 -3.7643 -3.7643 -3.4537 -3.4537 -3.1787 -3.1787 -3.0967 -3.0967 -2.9269 -2.9269 -2.7523 -2.7523 -2.4858 -2.4858 -2.4091 -2.4091 -1.9290 -1.9290 -1.5821 -1.5821 -0.7553 -0.7553 -0.5636 -0.5636 2.9314 2.9314 2.9433 2.9433 3.0372 3.0372 3.2100 3.2100 8.2563 8.2563 8.3633 8.3633 8.5681 8.5681 8.8204 8.8204 9.4168 9.4168 k = 0.3833 0.4383 0.4327 ( 14104 PWs) bands (ev): -19.0094 -19.0094 -19.0045 -19.0045 -15.4598 -15.4598 -15.3695 -15.3695 -14.7031 -14.7031 -14.6757 -14.6757 -4.5580 -4.5580 -4.3772 -4.3772 -3.7633 -3.7633 -3.4614 -3.4614 -3.1749 -3.1749 -3.0895 -3.0895 -2.9283 -2.9283 -2.7547 -2.7547 -2.4801 -2.4801 -2.4013 -2.4013 -1.9385 -1.9385 -1.5819 -1.5819 -0.7488 -0.7488 -0.5519 -0.5519 2.9325 2.9325 2.9441 2.9441 3.0399 3.0399 3.2017 3.2017 8.2441 8.2441 8.3212 8.3212 8.5414 8.5414 8.7713 8.7713 9.3554 9.3554 k = 0.3917 0.4478 0.4182 ( 14100 PWs) bands (ev): -19.0093 -19.0093 -19.0046 -19.0046 -15.4601 -15.4601 -15.3677 -15.3677 -14.7040 -14.7040 -14.6766 -14.6766 -4.5656 -4.5656 -4.3777 -4.3777 -3.7611 -3.7611 -3.4709 -3.4709 -3.1709 -3.1709 -3.0817 -3.0817 -2.9293 -2.9293 -2.7568 -2.7568 -2.4743 -2.4743 -2.3951 -2.3951 -1.9466 -1.9466 -1.5818 -1.5818 -0.7413 -0.7413 -0.5402 -0.5402 2.9338 2.9338 2.9454 2.9454 3.0431 3.0431 3.1914 3.1914 8.2342 8.2342 8.2794 8.2794 8.5136 8.5136 8.7203 8.7203 9.2919 9.2919 k = 0.4000 0.4573 0.4038 ( 14094 PWs) bands (ev): -19.0091 -19.0091 -19.0047 -19.0047 -15.4602 -15.4602 -15.3660 -15.3660 -14.7049 -14.7049 -14.6775 -14.6775 -4.5730 -4.5730 -4.3788 -4.3788 -3.7577 -3.7577 -3.4817 -3.4817 -3.1668 -3.1668 -3.0738 -3.0738 -2.9302 -2.9302 -2.7584 -2.7584 -2.4684 -2.4684 -2.3907 -2.3907 -1.9534 -1.9534 -1.5814 -1.5814 -0.7326 -0.7326 -0.5287 -0.5287 2.9349 2.9349 2.9473 2.9473 3.0469 3.0469 3.1795 3.1795 8.2244 8.2244 8.2402 8.2402 8.4848 8.4848 8.6684 8.6684 9.2271 9.2271 k = 0.4083 0.4669 0.3893 ( 14090 PWs) bands (ev): -19.0090 -19.0090 -19.0048 -19.0048 -15.4600 -15.4600 -15.3647 -15.3647 -14.7057 -14.7057 -14.6786 -14.6786 -4.5800 -4.5800 -4.3806 -4.3806 -3.7534 -3.7534 -3.4935 -3.4935 -3.1629 -3.1629 -3.0661 -3.0661 -2.9313 -2.9313 -2.7592 -2.7592 -2.4624 -2.4624 -2.3882 -2.3882 -1.9591 -1.9591 -1.5806 -1.5806 -0.7229 -0.7229 -0.5174 -0.5174 2.9354 2.9354 2.9498 2.9498 3.0515 3.0515 3.1664 3.1664 8.1940 8.1940 8.2247 8.2247 8.4553 8.4553 8.6161 8.6161 9.1616 9.1616 k = 0.4167 0.4764 0.3748 ( 14091 PWs) bands (ev): -19.0088 -19.0088 -19.0050 -19.0050 -15.4596 -15.4596 -15.3635 -15.3635 -14.7064 -14.7064 -14.6798 -14.6798 -4.5866 -4.5866 -4.3829 -4.3829 -3.7481 -3.7481 -3.5057 -3.5057 -3.1590 -3.1590 -3.0587 -3.0587 -2.9329 -2.9329 -2.7590 -2.7590 -2.4564 -2.4564 -2.3876 -2.3876 -1.9639 -1.9639 -1.5790 -1.5790 -0.7123 -0.7123 -0.5064 -0.5064 2.9346 2.9346 2.9528 2.9528 3.0570 3.0570 3.1526 3.1526 8.1546 8.1546 8.2212 8.2212 8.4251 8.4251 8.5641 8.5641 9.0961 9.0961 k = 0.4250 0.4859 0.3603 ( 14093 PWs) bands (ev): -19.0086 -19.0086 -19.0051 -19.0051 -15.4590 -15.4590 -15.3626 -15.3626 -14.7071 -14.7071 -14.6811 -14.6811 -4.5927 -4.5927 -4.3857 -4.3857 -3.7420 -3.7420 -3.5180 -3.5180 -3.1552 -3.1552 -3.0520 -3.0520 -2.9354 -2.9354 -2.7576 -2.7576 -2.4504 -2.4504 -2.3887 -2.3887 -1.9680 -1.9680 -1.5765 -1.5765 -0.7008 -0.7008 -0.4958 -0.4958 2.9318 2.9318 2.9565 2.9565 3.0636 3.0636 3.1388 3.1388 8.1156 8.1156 8.2202 8.2202 8.3944 8.3944 8.5127 8.5127 9.0311 9.0311 k = 0.4333 0.4955 0.3459 ( 14103 PWs) bands (ev): -19.0084 -19.0084 -19.0053 -19.0053 -15.4582 -15.4582 -15.3619 -15.3619 -14.7076 -14.7076 -14.6825 -14.6825 -4.5981 -4.5981 -4.3892 -4.3892 -3.7353 -3.7353 -3.5299 -3.5299 -3.1516 -3.1516 -3.0460 -3.0460 -2.9388 -2.9388 -2.7548 -2.7548 -2.4446 -2.4446 -2.3915 -2.3915 -1.9717 -1.9717 -1.5730 -1.5730 -0.6885 -0.6885 -0.4856 -0.4856 2.9264 2.9264 2.9607 2.9607 3.0714 3.0714 3.1259 3.1259 8.0778 8.0778 8.2210 8.2210 8.3635 8.3635 8.4621 8.4621 8.9674 8.9674 k = 0.4417 0.5050 0.3314 ( 14107 PWs) bands (ev): -19.0082 -19.0082 -19.0055 -19.0055 -15.4572 -15.4572 -15.3614 -15.3614 -14.7080 -14.7080 -14.6840 -14.6840 -4.6029 -4.6029 -4.3931 -4.3931 -3.7282 -3.7282 -3.5412 -3.5412 -3.1483 -3.1483 -3.0407 -3.0407 -2.9433 -2.9433 -2.7508 -2.7508 -2.4390 -2.4390 -2.3956 -2.3956 -1.9754 -1.9754 -1.5683 -1.5683 -0.6757 -0.6757 -0.4760 -0.4760 2.9179 2.9179 2.9654 2.9654 3.0801 3.0801 3.1146 3.1146 8.0413 8.0413 8.2232 8.2232 8.3326 8.3326 8.4125 8.4125 8.9054 8.9054 k = 0.4500 0.5145 0.3169 ( 14099 PWs) bands (ev): -19.0079 -19.0079 -19.0057 -19.0057 -15.4560 -15.4560 -15.3611 -15.3611 -14.7084 -14.7084 -14.6855 -14.6855 -4.6070 -4.6070 -4.3974 -4.3974 -3.7210 -3.7210 -3.5512 -3.5512 -3.1454 -3.1454 -3.0362 -3.0362 -2.9488 -2.9488 -2.7456 -2.7456 -2.4341 -2.4341 -2.4006 -2.4006 -1.9794 -1.9794 -1.5623 -1.5623 -0.6624 -0.6624 -0.4669 -0.4669 2.9064 2.9064 2.9705 2.9705 3.0884 3.0884 3.1067 3.1067 8.0063 8.0063 8.2266 8.2266 8.3019 8.3019 8.3639 8.3639 8.8457 8.8457 k = 0.4583 0.5240 0.3024 ( 14099 PWs) bands (ev): -19.0077 -19.0077 -19.0059 -19.0059 -15.4546 -15.4546 -15.3610 -15.3610 -14.7087 -14.7087 -14.6871 -14.6871 -4.6103 -4.6103 -4.4021 -4.4021 -3.7142 -3.7142 -3.5596 -3.5596 -3.1429 -3.1429 -3.0325 -3.0325 -2.9552 -2.9552 -2.7393 -2.7393 -2.4304 -2.4304 -2.4055 -2.4055 -1.9839 -1.9839 -1.5550 -1.5550 -0.6488 -0.6488 -0.4583 -0.4583 2.8919 2.8919 2.9759 2.9759 3.0902 3.0902 3.1083 3.1083 7.9730 7.9730 8.2309 8.2309 8.2716 8.2716 8.3166 8.3166 8.7887 8.7887 k = 0.4667 0.5336 0.2880 ( 14093 PWs) bands (ev): -19.0074 -19.0074 -19.0062 -19.0062 -15.4530 -15.4530 -15.3612 -15.3612 -14.7090 -14.7090 -14.6887 -14.6887 -4.6128 -4.6128 -4.4072 -4.4072 -3.7082 -3.7082 -3.5657 -3.5657 -3.1411 -3.1411 -3.0295 -3.0295 -2.9623 -2.9623 -2.7323 -2.7323 -2.4298 -2.4298 -2.4087 -2.4087 -1.9890 -1.9890 -1.5466 -1.5466 -0.6351 -0.6351 -0.4504 -0.4504 2.8749 2.8749 2.9816 2.9816 3.0860 3.0860 3.1188 3.1188 7.9412 7.9412 8.2355 8.2355 8.2415 8.2415 8.2712 8.2712 8.7348 8.7348 k = 0.4750 0.5431 0.2735 ( 14092 PWs) bands (ev): -19.0072 -19.0072 -19.0063 -19.0063 -15.4513 -15.4513 -15.3614 -15.3614 -14.7092 -14.7092 -14.6903 -14.6903 -4.6144 -4.6144 -4.4125 -4.4125 -3.7036 -3.7036 -3.5689 -3.5689 -3.1402 -3.1402 -3.0271 -3.0271 -2.9697 -2.9697 -2.7249 -2.7249 -2.4334 -2.4334 -2.4086 -2.4086 -1.9949 -1.9949 -1.5371 -1.5371 -0.6215 -0.6215 -0.4432 -0.4432 2.8561 2.8561 2.9875 2.9875 3.0819 3.0819 3.1316 3.1316 7.9112 7.9112 8.2091 8.2091 8.2302 8.2302 8.2409 8.2409 8.6843 8.6843 k = 0.4833 0.5526 0.2590 ( 14088 PWs) bands (ev): -19.0071 -19.0071 -19.0064 -19.0064 -15.4495 -15.4495 -15.3619 -15.3619 -14.7093 -14.7093 -14.6919 -14.6919 -4.6152 -4.6152 -4.4180 -4.4180 -3.7009 -3.7009 -3.5686 -3.5686 -3.1403 -3.1403 -3.0254 -3.0254 -2.9771 -2.9771 -2.7172 -2.7172 -2.4400 -2.4400 -2.4065 -2.4065 -2.0015 -2.0015 -1.5267 -1.5267 -0.6082 -0.6082 -0.4365 -0.4365 2.8363 2.8363 2.9936 2.9936 3.0787 3.0787 3.1452 3.1452 7.8828 7.8828 8.1709 8.1709 8.1983 8.1983 8.2460 8.2460 8.6373 8.6373 k = 0.4917 0.5621 0.2446 ( 14080 PWs) bands (ev): -19.0073 -19.0073 -19.0062 -19.0062 -15.4475 -15.4475 -15.3625 -15.3625 -14.7094 -14.7094 -14.6936 -14.6936 -4.6151 -4.6151 -4.4235 -4.4235 -3.7003 -3.7003 -3.5648 -3.5648 -3.1417 -3.1417 -3.0242 -3.0242 -2.9843 -2.9843 -2.7097 -2.7097 -2.4476 -2.4476 -2.4040 -2.4040 -2.0090 -2.0090 -1.5156 -1.5156 -0.5955 -0.5955 -0.4305 -0.4305 2.8160 2.8160 2.9998 2.9998 3.0765 3.0765 3.1594 3.1594 7.8559 7.8559 8.1294 8.1294 8.1732 8.1732 8.2509 8.2509 8.5941 8.5941 k = 0.5000 0.5717 0.2301 ( 14082 PWs) bands (ev): -19.0076 -19.0076 -19.0059 -19.0059 -15.4454 -15.4454 -15.3632 -15.3632 -14.7095 -14.7095 -14.6952 -14.6952 -4.6141 -4.6141 -4.4291 -4.4291 -3.7016 -3.7016 -3.5575 -3.5575 -3.1446 -3.1446 -3.0235 -3.0235 -2.9908 -2.9908 -2.7027 -2.7027 -2.4553 -2.4553 -2.4017 -2.4017 -2.0172 -2.0172 -1.5041 -1.5041 -0.5836 -0.5836 -0.4251 -0.4251 2.7961 2.7961 3.0061 3.0061 3.0751 3.0751 3.1736 3.1736 7.8305 7.8305 8.0881 8.0881 8.1521 8.1521 8.2555 8.2555 8.5547 8.5547 k = 0.5000 0.5717 0.2301 ( 14082 PWs) bands (ev): -19.0076 -19.0076 -19.0059 -19.0059 -15.4454 -15.4454 -15.3632 -15.3632 -14.7095 -14.7095 -14.6952 -14.6952 -4.6141 -4.6141 -4.4291 -4.4291 -3.7016 -3.7016 -3.5575 -3.5575 -3.1446 -3.1446 -3.0235 -3.0235 -2.9908 -2.9908 -2.7027 -2.7027 -2.4553 -2.4553 -2.4017 -2.4017 -2.0172 -2.0172 -1.5041 -1.5041 -0.5836 -0.5836 -0.4251 -0.4251 2.7961 2.7961 3.0061 3.0061 3.0751 3.0751 3.1736 3.1736 7.8305 7.8305 8.0881 8.0881 8.1521 8.1521 8.2555 8.2555 8.5547 8.5547 k = 0.5000 0.5717 0.2109 ( 14102 PWs) bands (ev): -19.0079 -19.0079 -19.0055 -19.0055 -15.4427 -15.4427 -15.3643 -15.3643 -14.7095 -14.7095 -14.6972 -14.6972 -4.6121 -4.6121 -4.4365 -4.4365 -3.7055 -3.7055 -3.5437 -3.5437 -3.1501 -3.1501 -3.0232 -3.0232 -2.9985 -2.9985 -2.6938 -2.6938 -2.4652 -2.4652 -2.3990 -2.3990 -2.0290 -2.0290 -1.4883 -1.4883 -0.5692 -0.5692 -0.4184 -0.4184 2.7707 2.7707 3.0143 3.0143 3.0737 3.0737 3.1922 3.1922 7.7987 7.7987 8.0357 8.0357 8.1277 8.1277 8.2599 8.2599 8.5066 8.5066 k = 0.5000 0.5717 0.1917 ( 14100 PWs) bands (ev): -19.0083 -19.0083 -19.0051 -19.0051 -15.4401 -15.4401 -15.3653 -15.3653 -14.7096 -14.7096 -14.6992 -14.6992 -4.6098 -4.6098 -4.4440 -4.4440 -3.7112 -3.7112 -3.5268 -3.5268 -3.1571 -3.1571 -3.0238 -3.0238 -3.0046 -3.0046 -2.6853 -2.6853 -2.4748 -2.4748 -2.3959 -2.3959 -2.0417 -2.0417 -1.4722 -1.4722 -0.5564 -0.5564 -0.4117 -0.4117 2.7466 2.7466 3.0219 3.0219 3.0724 3.0724 3.2101 3.2101 7.7688 7.7688 7.9870 7.9870 8.1061 8.1061 8.2615 8.2615 8.4618 8.4618 k = 0.5000 0.5717 0.1726 ( 14108 PWs) bands (ev): -19.0087 -19.0087 -19.0047 -19.0047 -15.4377 -15.4377 -15.3662 -15.3662 -14.7097 -14.7097 -14.7010 -14.7010 -4.6073 -4.6073 -4.4514 -4.4514 -3.7177 -3.7177 -3.5077 -3.5077 -3.1657 -3.1657 -3.0257 -3.0257 -3.0085 -3.0085 -2.6772 -2.6772 -2.4839 -2.4839 -2.3926 -2.3926 -2.0548 -2.0548 -1.4562 -1.4562 -0.5452 -0.5452 -0.4050 -0.4050 2.7242 2.7242 3.0289 3.0289 3.0712 3.0712 3.2270 3.2270 7.7409 7.7409 7.9424 7.9424 8.0871 8.0871 8.2607 8.2607 8.4205 8.4205 k = 0.5000 0.5717 0.1534 ( 14092 PWs) bands (ev): -19.0090 -19.0090 -19.0044 -19.0044 -15.4354 -15.4354 -15.3670 -15.3670 -14.7097 -14.7097 -14.7027 -14.7027 -4.6046 -4.6046 -4.4587 -4.4587 -3.7243 -3.7243 -3.4871 -3.4871 -3.1760 -3.1760 -3.0287 -3.0287 -3.0103 -3.0103 -2.6696 -2.6696 -2.4924 -2.4924 -2.3891 -2.3891 -2.0677 -2.0677 -1.4408 -1.4408 -0.5356 -0.5356 -0.3985 -0.3985 2.7036 2.7036 3.0352 3.0352 3.0702 3.0702 3.2428 3.2428 7.7149 7.7149 7.9025 7.9025 8.0705 8.0705 8.2580 8.2580 8.3828 8.3828 k = 0.5000 0.5717 0.1342 ( 14104 PWs) bands (ev): -19.0094 -19.0094 -19.0040 -19.0040 -15.4334 -15.4334 -15.3678 -15.3678 -14.7098 -14.7098 -14.7043 -14.7043 -4.6019 -4.6019 -4.4657 -4.4657 -3.7307 -3.7307 -3.4656 -3.4656 -3.1879 -3.1879 -3.0321 -3.0321 -3.0109 -3.0109 -2.6628 -2.6628 -2.5001 -2.5001 -2.3855 -2.3855 -2.0803 -2.0803 -1.4264 -1.4264 -0.5277 -0.5277 -0.3921 -0.3921 2.6849 2.6849 3.0407 3.0407 3.0695 3.0695 3.2572 3.2572 7.6910 7.6910 7.8674 7.8674 8.0563 8.0563 8.2540 8.2540 8.3490 8.3490 k = 0.5000 0.5717 0.1150 ( 14094 PWs) bands (ev): -19.0096 -19.0096 -19.0038 -19.0038 -15.4316 -15.4316 -15.3684 -15.3684 -14.7098 -14.7098 -14.7057 -14.7057 -4.5991 -4.5991 -4.4723 -4.4723 -3.7365 -3.7365 -3.4435 -3.4435 -3.2015 -3.2015 -3.0353 -3.0353 -3.0108 -3.0108 -2.6567 -2.6567 -2.5071 -2.5071 -2.3818 -2.3818 -2.0921 -2.0921 -1.4132 -1.4132 -0.5212 -0.5212 -0.3861 -0.3861 2.6684 2.6684 3.0453 3.0453 3.0691 3.0691 3.2700 3.2700 7.6695 7.6695 7.8372 7.8372 8.0445 8.0445 8.2492 8.2492 8.3192 8.3192 k = 0.5000 0.5717 0.0959 ( 14102 PWs) bands (ev): -19.0099 -19.0099 -19.0035 -19.0035 -15.4300 -15.4300 -15.3690 -15.3690 -14.7099 -14.7099 -14.7068 -14.7068 -4.5964 -4.5964 -4.4784 -4.4784 -3.7417 -3.7417 -3.4211 -3.4211 -3.2166 -3.2166 -3.0378 -3.0378 -3.0105 -3.0105 -2.6515 -2.6515 -2.5132 -2.5132 -2.3783 -2.3783 -2.1028 -2.1028 -1.4016 -1.4016 -0.5161 -0.5161 -0.3807 -0.3807 2.6542 2.6542 3.0490 3.0490 3.0691 3.0691 3.2811 3.2811 7.6505 7.6505 7.8121 7.8121 8.0349 8.0349 8.2439 8.2439 8.2936 8.2936 k = 0.5000 0.5717 0.0767 ( 14102 PWs) bands (ev): -19.0101 -19.0101 -19.0033 -19.0033 -15.4287 -15.4287 -15.3695 -15.3695 -14.7099 -14.7099 -14.7078 -14.7078 -4.5939 -4.5939 -4.4836 -4.4836 -3.7460 -3.7460 -3.3987 -3.3987 -3.2330 -3.2330 -3.0398 -3.0398 -3.0101 -3.0101 -2.6472 -2.6472 -2.5183 -2.5183 -2.3751 -2.3751 -2.1121 -2.1121 -1.3918 -1.3918 -0.5122 -0.5122 -0.3759 -0.3759 2.6424 2.6424 3.0516 3.0516 3.0695 3.0695 3.2904 3.2904 7.6343 7.6343 7.7917 7.7917 8.0274 8.0274 8.2385 8.2385 8.2727 8.2727 k = 0.5000 0.5717 0.0575 ( 14094 PWs) bands (ev): -19.0102 -19.0102 -19.0032 -19.0032 -15.4277 -15.4277 -15.3699 -15.3699 -14.7099 -14.7099 -14.7086 -14.7086 -4.5917 -4.5917 -4.4880 -4.4880 -3.7495 -3.7495 -3.3764 -3.3764 -3.2505 -3.2505 -3.0413 -3.0413 -3.0098 -3.0098 -2.6438 -2.6438 -2.5224 -2.5224 -2.3723 -2.3723 -2.1197 -2.1197 -1.3840 -1.3840 -0.5094 -0.5094 -0.3720 -0.3720 2.6331 2.6331 3.0533 3.0533 3.0701 3.0701 3.2978 3.2978 7.6213 7.6213 7.7762 7.7762 8.0218 8.0218 8.2332 8.2332 8.2568 8.2568 k = 0.5000 0.5717 0.0383 ( 14090 PWs) bands (ev): -19.0103 -19.0103 -19.0030 -19.0030 -15.4269 -15.4269 -15.3701 -15.3701 -14.7100 -14.7100 -14.7092 -14.7092 -4.5900 -4.5900 -4.4913 -4.4913 -3.7520 -3.7520 -3.3547 -3.3547 -3.2689 -3.2689 -3.0423 -3.0423 -3.0095 -3.0095 -2.6413 -2.6413 -2.5253 -2.5253 -2.3702 -2.3702 -2.1253 -2.1253 -1.3782 -1.3782 -0.5074 -0.5074 -0.3692 -0.3692 2.6264 2.6264 3.0544 3.0544 3.0708 3.0708 3.3031 3.3031 7.6118 7.6118 7.7652 7.7652 8.0179 8.0179 8.2281 8.2281 8.2463 8.2463 k = 0.5000 0.5717 0.0192 ( 14082 PWs) bands (ev): -19.0104 -19.0104 -19.0030 -19.0030 -15.4265 -15.4265 -15.3703 -15.3703 -14.7100 -14.7100 -14.7095 -14.7095 -4.5889 -4.5889 -4.4934 -4.4934 -3.7535 -3.7535 -3.3340 -3.3340 -3.2875 -3.2875 -3.0428 -3.0428 -3.0093 -3.0093 -2.6398 -2.6398 -2.5271 -2.5271 -2.3689 -2.3689 -2.1288 -2.1288 -1.3748 -1.3748 -0.5063 -0.5063 -0.3674 -0.3674 2.6224 2.6224 3.0549 3.0549 3.0713 3.0713 3.3063 3.3063 7.6060 7.6060 7.7587 7.7587 8.0157 8.0157 8.2241 8.2241 8.2408 8.2408 k = 0.5000 0.5717-0.0000 ( 14082 PWs) bands (ev): -19.0104 -19.0104 -19.0029 -19.0029 -15.4263 -15.4263 -15.3703 -15.3703 -14.7100 -14.7100 -14.7096 -14.7096 -4.5885 -4.5885 -4.4941 -4.4941 -3.7540 -3.7540 -3.3207 -3.3207 -3.3001 -3.3001 -3.0430 -3.0430 -3.0093 -3.0093 -2.6393 -2.6393 -2.5277 -2.5277 -2.3684 -2.3684 -2.1300 -2.1300 -1.3736 -1.3736 -0.5059 -0.5059 -0.3668 -0.3668 2.6210 2.6210 3.0550 3.0550 3.0715 3.0715 3.3074 3.3074 7.6041 7.6041 7.7565 7.7565 8.0150 8.0150 8.2226 8.2226 8.2391 8.2391 k = 0.0000 0.0000 0.6643 ( 14136 PWs) bands (ev): -19.0142 -19.0142 -18.9995 -18.9995 -15.4940 -15.4940 -15.3436 -15.3436 -14.7080 -14.7080 -14.6595 -14.6595 -4.6192 -4.6192 -4.3590 -4.3590 -3.8841 -3.8841 -3.2038 -3.2038 -3.1634 -3.1634 -3.1203 -3.1203 -3.0411 -3.0411 -2.5714 -2.5714 -2.4155 -2.4155 -2.2853 -2.2853 -2.2813 -2.2813 -1.4177 -1.4177 -0.9273 -0.9273 -0.5671 -0.5671 2.8294 2.8294 2.8511 2.8511 3.0959 3.0959 3.3201 3.3201 7.8273 7.8273 8.6653 8.6653 9.1084 9.1084 9.1820 9.1820 9.4277 9.4277 k = 0.0125 0.0143 0.6643 ( 14120 PWs) bands (ev): -19.0142 -19.0142 -18.9995 -18.9995 -15.4938 -15.4938 -15.3439 -15.3439 -14.7079 -14.7079 -14.6596 -14.6596 -4.6185 -4.6185 -4.3591 -4.3591 -3.8835 -3.8835 -3.2075 -3.2075 -3.1611 -3.1611 -3.1203 -3.1203 -3.0404 -3.0404 -2.5714 -2.5714 -2.4161 -2.4161 -2.3140 -2.3140 -2.2523 -2.2523 -1.4185 -1.4185 -0.9265 -0.9265 -0.5675 -0.5675 2.8301 2.8301 2.8515 2.8515 3.0955 3.0955 3.3194 3.3194 7.8305 7.8305 8.6656 8.6656 9.1072 9.1072 9.1790 9.1790 9.4320 9.4320 k = 0.0250 0.0286 0.6643 ( 14116 PWs) bands (ev): -19.0141 -19.0141 -18.9995 -18.9995 -15.4932 -15.4932 -15.3447 -15.3447 -14.7076 -14.7076 -14.6598 -14.6598 -4.6164 -4.6164 -4.3595 -4.3595 -3.8816 -3.8816 -3.2169 -3.2169 -3.1561 -3.1561 -3.1205 -3.1205 -3.0384 -3.0384 -2.5714 -2.5714 -2.4181 -2.4181 -2.3444 -2.3444 -2.2211 -2.2211 -1.4209 -1.4209 -0.9239 -0.9239 -0.5687 -0.5687 2.8323 2.8323 2.8528 2.8528 3.0944 3.0944 3.3172 3.3172 7.8398 7.8398 8.6666 8.6666 9.1034 9.1034 9.1705 9.1705 9.4445 9.4445 k = 0.0375 0.0429 0.6643 ( 14122 PWs) bands (ev): -19.0140 -19.0140 -18.9997 -18.9997 -15.4921 -15.4921 -15.3459 -15.3459 -14.7072 -14.7072 -14.6601 -14.6601 -4.6128 -4.6128 -4.3601 -4.3601 -3.8785 -3.8785 -3.2296 -3.2296 -3.1509 -3.1509 -3.1207 -3.1207 -3.0349 -3.0349 -2.5713 -2.5713 -2.4212 -2.4212 -2.3743 -2.3743 -2.1898 -2.1898 -1.4248 -1.4248 -0.9196 -0.9196 -0.5708 -0.5708 2.8360 2.8360 2.8550 2.8550 3.0927 3.0927 3.3135 3.3135 7.8553 7.8553 8.6683 8.6683 9.0970 9.0970 9.1581 9.1581 9.4636 9.4636 k = 0.0500 0.0572 0.6643 ( 14134 PWs) bands (ev): -19.0139 -19.0139 -18.9998 -18.9998 -15.4906 -15.4906 -15.3477 -15.3477 -14.7065 -14.7065 -14.6605 -14.6605 -4.6080 -4.6080 -4.3611 -4.3611 -3.8741 -3.8741 -3.2445 -3.2445 -3.1464 -3.1464 -3.1210 -3.1210 -3.0300 -3.0300 -2.5712 -2.5712 -2.4256 -2.4256 -2.4039 -2.4039 -2.1584 -2.1584 -1.4303 -1.4303 -0.9137 -0.9137 -0.5737 -0.5737 2.8411 2.8411 2.8581 2.8581 3.0902 3.0902 3.3084 3.3084 7.8768 7.8768 8.6707 8.6707 9.0878 9.0878 9.1434 9.1434 9.4870 9.4870 k = 0.0625 0.0715 0.6643 ( 14126 PWs) bands (ev): -19.0137 -19.0137 -19.0000 -19.0000 -15.4888 -15.4888 -15.3499 -15.3499 -14.7057 -14.7057 -14.6610 -14.6610 -4.6019 -4.6019 -4.3623 -4.3623 -3.8684 -3.8684 -3.2611 -3.2611 -3.1432 -3.1432 -3.1213 -3.1213 -3.0236 -3.0236 -2.5712 -2.5712 -2.4328 -2.4328 -2.4309 -2.4309 -2.1269 -2.1269 -1.4372 -1.4372 -0.9064 -0.9064 -0.5774 -0.5774 2.8475 2.8475 2.8621 2.8621 3.0871 3.0871 3.3018 3.3018 7.9040 7.9040 8.6738 8.6738 9.0757 9.0757 9.1276 9.1276 9.4930 9.4930 k = 0.0750 0.0858 0.6643 ( 14110 PWs) bands (ev): -19.0134 -19.0134 -19.0003 -19.0003 -15.4865 -15.4865 -15.3527 -15.3527 -14.7047 -14.7047 -14.6617 -14.6617 -4.5945 -4.5945 -4.3638 -4.3638 -3.8614 -3.8614 -3.2792 -3.2792 -3.1412 -3.1412 -3.1217 -3.1217 -3.0157 -3.0157 -2.5713 -2.5713 -2.4611 -2.4611 -2.4370 -2.4370 -2.0955 -2.0955 -1.4456 -1.4456 -0.8977 -0.8977 -0.5818 -0.5818 2.8549 2.8549 2.8671 2.8671 3.0833 3.0833 3.2939 3.2939 7.9366 7.9366 8.6776 8.6776 9.0610 9.0610 9.1114 9.1114 9.4970 9.4970 k = 0.0875 0.1000 0.6643 ( 14122 PWs) bands (ev): -19.0131 -19.0131 -19.0005 -19.0005 -15.4838 -15.4838 -15.3558 -15.3558 -14.7035 -14.7035 -14.6624 -14.6624 -4.5861 -4.5861 -4.3657 -4.3657 -3.8531 -3.8531 -3.2987 -3.2987 -3.1403 -3.1403 -3.1224 -3.1224 -3.0066 -3.0066 -2.5717 -2.5717 -2.4885 -2.4885 -2.4439 -2.4439 -2.0641 -2.0641 -1.4554 -1.4554 -0.8879 -0.8879 -0.5871 -0.5871 2.8630 2.8630 2.8736 2.8736 3.0789 3.0789 3.2847 3.2847 7.9743 7.9743 8.6822 8.6822 9.0441 9.0441 9.0947 9.0947 9.5016 9.5016 k = 0.1000 0.1143 0.6643 ( 14114 PWs) bands (ev): -19.0128 -19.0128 -19.0009 -19.0009 -15.4808 -15.4808 -15.3593 -15.3593 -14.7022 -14.7022 -14.6633 -14.6633 -4.5767 -4.5767 -4.3679 -4.3679 -3.8435 -3.8435 -3.3194 -3.3194 -3.1401 -3.1401 -3.1233 -3.1233 -2.9963 -2.9963 -2.5729 -2.5729 -2.5143 -2.5143 -2.4513 -2.4513 -2.0329 -2.0329 -1.4665 -1.4665 -0.8770 -0.8770 -0.5931 -0.5931 2.8711 2.8711 2.8821 2.8821 3.0738 3.0738 3.2742 3.2742 8.0165 8.0165 8.6875 8.6875 9.0255 9.0255 9.0771 9.0771 9.5069 9.5069 k = 0.1125 0.1286 0.6643 ( 14102 PWs) bands (ev): -19.0125 -19.0125 -19.0012 -19.0012 -15.4774 -15.4774 -15.3633 -15.3633 -14.7008 -14.7008 -14.6643 -14.6643 -4.5665 -4.5665 -4.3706 -4.3706 -3.8325 -3.8325 -3.3413 -3.3413 -3.1405 -3.1405 -3.1245 -3.1245 -2.9849 -2.9849 -2.5769 -2.5769 -2.5367 -2.5367 -2.4591 -2.4591 -2.0019 -2.0019 -1.4790 -1.4790 -0.8653 -0.8653 -0.5998 -0.5998 2.8789 2.8789 2.8927 2.8927 3.0682 3.0682 3.2624 3.2624 8.0630 8.0630 8.6936 8.6936 9.0060 9.0060 9.0582 9.0582 9.5130 9.5130 k = 0.1250 0.1429 0.6643 ( 14094 PWs) bands (ev): -19.0121 -19.0121 -19.0016 -19.0016 -15.4736 -15.4736 -15.3676 -15.3676 -14.6993 -14.6993 -14.6654 -14.6654 -4.5555 -4.5555 -4.3738 -4.3738 -3.8202 -3.8202 -3.3644 -3.3644 -3.1411 -3.1411 -3.1259 -3.1259 -2.9726 -2.9726 -2.5883 -2.5883 -2.5508 -2.5508 -2.4671 -2.4671 -1.9711 -1.9711 -1.4927 -1.4927 -0.8528 -0.8528 -0.6073 -0.6073 2.8866 2.8866 2.9052 2.9052 3.0620 3.0620 3.2496 3.2496 8.1130 8.1130 8.7004 8.7004 8.9858 8.9858 9.0377 9.0377 9.5197 9.5197 k = 0.1375 0.1572 0.6643 ( 14100 PWs) bands (ev): -19.0116 -19.0116 -19.0021 -19.0021 -15.4695 -15.4695 -15.3722 -15.3722 -14.6976 -14.6976 -14.6666 -14.6666 -4.5440 -4.5440 -4.3774 -4.3774 -3.8064 -3.8064 -3.3885 -3.3885 -3.1419 -3.1419 -3.1277 -3.1277 -2.9595 -2.9595 -2.6081 -2.6081 -2.5558 -2.5558 -2.4751 -2.4751 -1.9407 -1.9407 -1.5076 -1.5076 -0.8397 -0.8397 -0.6155 -0.6155 2.8945 2.8945 2.9190 2.9190 3.0553 3.0553 3.2356 3.2356 8.1660 8.1660 8.7081 8.7081 8.9652 8.9652 9.0154 9.0154 9.5270 9.5270 k = 0.1500 0.1715 0.6643 ( 14086 PWs) bands (ev): -19.0112 -19.0112 -19.0025 -19.0025 -15.4652 -15.4652 -15.3771 -15.3771 -14.6959 -14.6959 -14.6679 -14.6679 -4.5321 -4.5321 -4.3816 -4.3816 -3.7913 -3.7913 -3.4134 -3.4134 -3.1428 -3.1428 -3.1296 -3.1296 -2.9455 -2.9455 -2.6311 -2.6311 -2.5567 -2.5567 -2.4831 -2.4831 -1.9106 -1.9106 -1.5237 -1.5237 -0.8263 -0.8263 -0.6243 -0.6243 2.9027 2.9027 2.9340 2.9340 3.0480 3.0480 3.2207 3.2207 8.2214 8.2214 8.7166 8.7166 8.9442 8.9442 8.9913 8.9913 9.5350 9.5350 k = 0.1625 0.1858 0.6643 ( 14080 PWs) bands (ev): -19.0107 -19.0107 -19.0030 -19.0030 -15.4605 -15.4605 -15.3823 -15.3823 -14.6941 -14.6941 -14.6692 -14.6692 -4.5199 -4.5199 -4.3864 -4.3864 -3.7748 -3.7748 -3.4391 -3.4391 -3.1436 -3.1436 -3.1315 -3.1315 -2.9308 -2.9308 -2.6548 -2.6548 -2.5560 -2.5560 -2.4908 -2.4908 -1.8810 -1.8810 -1.5409 -1.5409 -0.8125 -0.8125 -0.6338 -0.6338 2.9113 2.9113 2.9499 2.9499 3.0404 3.0404 3.2049 3.2049 8.2785 8.2785 8.7259 8.7259 8.9224 8.9224 8.9654 8.9654 9.5436 9.5436 k = 0.1750 0.2001 0.6643 ( 14076 PWs) bands (ev): -19.0102 -19.0102 -19.0035 -19.0035 -15.4556 -15.4556 -15.3876 -15.3876 -14.6923 -14.6923 -14.6707 -14.6707 -4.5076 -4.5076 -4.3919 -4.3919 -3.7570 -3.7570 -3.4653 -3.4653 -3.1442 -3.1442 -3.1336 -3.1336 -2.9154 -2.9154 -2.6783 -2.6783 -2.5545 -2.5545 -2.4983 -2.4983 -1.8519 -1.8519 -1.5592 -1.5592 -0.7985 -0.7985 -0.6439 -0.6439 2.9201 2.9201 2.9666 2.9666 3.0323 3.0323 3.1884 3.1884 8.3366 8.3366 8.7361 8.7361 8.8992 8.8992 8.9387 8.9387 9.5528 9.5528 k = 0.1875 0.2144 0.6643 ( 14070 PWs) bands (ev): -19.0097 -19.0097 -19.0040 -19.0040 -15.4505 -15.4505 -15.3932 -15.3932 -14.6904 -14.6904 -14.6723 -14.6723 -4.4953 -4.4953 -4.3980 -4.3980 -3.7378 -3.7378 -3.4919 -3.4919 -3.1447 -3.1447 -3.1356 -3.1356 -2.8993 -2.8993 -2.7015 -2.7015 -2.5524 -2.5524 -2.5055 -2.5055 -1.8233 -1.8233 -1.5786 -1.5786 -0.7844 -0.7844 -0.6546 -0.6546 2.9293 2.9293 2.9841 2.9841 3.0238 3.0238 3.1711 3.1711 8.3950 8.3950 8.7471 8.7471 8.8727 8.8727 8.9127 8.9127 9.5626 9.5626 k = 0.2000 0.2287 0.6643 ( 14080 PWs) bands (ev): -19.0091 -19.0091 -19.0046 -19.0046 -15.4451 -15.4451 -15.3989 -15.3989 -14.6884 -14.6884 -14.6739 -14.6739 -4.4832 -4.4832 -4.4048 -4.4048 -3.7172 -3.7172 -3.5187 -3.5187 -3.1449 -3.1449 -3.1375 -3.1375 -2.8825 -2.8825 -2.7242 -2.7242 -2.5498 -2.5498 -2.5123 -2.5123 -1.7953 -1.7953 -1.5991 -1.5991 -0.7703 -0.7703 -0.6658 -0.6658 2.9386 2.9386 3.0018 3.0018 3.0154 3.0154 3.1532 3.1532 8.4532 8.4532 8.7589 8.7589 8.8414 8.8414 8.8890 8.8890 9.5729 9.5729 k = 0.2125 0.2430 0.6643 ( 14084 PWs) bands (ev): -19.0086 -19.0086 -19.0051 -19.0051 -15.4396 -15.4396 -15.4047 -15.4047 -14.6865 -14.6865 -14.6756 -14.6756 -4.4714 -4.4714 -4.4123 -4.4123 -3.6955 -3.6955 -3.5455 -3.5455 -3.1449 -3.1449 -3.1393 -3.1393 -2.8650 -2.8650 -2.7462 -2.7462 -2.5468 -2.5468 -2.5186 -2.5186 -1.7679 -1.7679 -1.6205 -1.6205 -0.7562 -0.7562 -0.6776 -0.6776 2.9481 2.9481 3.0054 3.0054 3.0212 3.0212 3.1348 3.1348 8.5104 8.5104 8.7715 8.7715 8.8050 8.8050 8.8679 8.8679 9.5836 9.5836 k = 0.2250 0.2573 0.6643 ( 14070 PWs) bands (ev): -19.0080 -19.0080 -19.0057 -19.0057 -15.4339 -15.4339 -15.4105 -15.4105 -14.6846 -14.6846 -14.6774 -14.6774 -4.4601 -4.4601 -4.4205 -4.4205 -3.6726 -3.6726 -3.5720 -3.5720 -3.1446 -3.1446 -3.1409 -3.1409 -2.8469 -2.8469 -2.7677 -2.7677 -2.5433 -2.5433 -2.5244 -2.5244 -1.7413 -1.7413 -1.6429 -1.6429 -0.7423 -0.7423 -0.6898 -0.6898 2.9577 2.9577 2.9963 2.9963 3.0398 3.0398 3.1161 3.1161 8.5660 8.5660 8.7635 8.7635 8.7855 8.7855 8.8490 8.8490 9.5947 9.5947 k = 0.2375 0.2715 0.6643 ( 14070 PWs) bands (ev): -19.0075 -19.0075 -19.0062 -19.0062 -15.4282 -15.4282 -15.4164 -15.4164 -14.6827 -14.6827 -14.6792 -14.6792 -4.4492 -4.4492 -4.4294 -4.4294 -3.6487 -3.6487 -3.5982 -3.5982 -3.1440 -3.1440 -3.1423 -3.1423 -2.8281 -2.8281 -2.7885 -2.7885 -2.5393 -2.5393 -2.5298 -2.5298 -1.7154 -1.7154 -1.6663 -1.6663 -0.7287 -0.7287 -0.7025 -0.7025 2.9674 2.9674 2.9869 2.9869 3.0588 3.0588 3.0971 3.0971 8.6197 8.6197 8.7189 8.7189 8.7998 8.7998 8.8315 8.8315 9.6062 9.6062 k = 0.2500 0.2858 0.6643 ( 14072 PWs) bands (ev): -19.0071 -19.0071 -19.0066 -19.0066 -15.4223 -15.4223 -15.4223 -15.4223 -14.6811 -14.6811 -14.6808 -14.6808 -4.4390 -4.4390 -4.4390 -4.4390 -3.6239 -3.6239 -3.6238 -3.6238 -3.1434 -3.1434 -3.1432 -3.1432 -2.8087 -2.8087 -2.8085 -2.8085 -2.5349 -2.5349 -2.5347 -2.5347 -1.6905 -1.6905 -1.6903 -1.6903 -0.7155 -0.7155 -0.7153 -0.7153 2.9771 2.9771 2.9773 2.9773 3.0779 3.0779 3.0780 3.0780 8.6707 8.6707 8.6708 8.6708 8.8150 8.8150 8.8152 8.8152 9.6178 9.6178 Writing output data file CsN3.save init_run : 0.66s CPU 0.90s WALL ( 1 calls) electrons : 360.97s CPU 365.09s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.07s WALL ( 1 calls) potinit : 0.03s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 360.96s CPU 365.08s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.18s CPU 0.19s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.13s CPU 0.26s WALL ( 277 calls) cegterg : 326.89s CPU 329.15s WALL ( 401 calls) Called by sum_band: Called by *egterg: h_psi : 227.59s CPU 229.56s WALL ( 6795 calls) s_psi : 9.77s CPU 9.83s WALL ( 6795 calls) g_psi : 0.84s CPU 0.75s WALL ( 6117 calls) cdiaghg : 60.42s CPU 61.12s WALL ( 6394 calls) cegterg:over : 18.17s CPU 18.22s WALL ( 6117 calls) cegterg:upda : 19.69s CPU 19.76s WALL ( 6117 calls) cegterg:last : 8.47s CPU 8.44s WALL ( 1059 calls) cdiaghg:chol : 3.50s CPU 3.56s WALL ( 6394 calls) cdiaghg:inve : 2.52s CPU 2.49s WALL ( 6394 calls) cdiaghg:para : 4.20s CPU 4.05s WALL ( 12788 calls) Called by h_psi: h_psi:vloc : 195.38s CPU 197.20s WALL ( 6795 calls) h_psi:vnl : 31.30s CPU 31.50s WALL ( 6795 calls) add_vuspsi : 17.40s CPU 17.38s WALL ( 6795 calls) General routines calbec : 13.88s CPU 14.10s WALL ( 6795 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 184.62s CPU 186.54s WALL ( 769544 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.22s CPU 0.56s WALL ( 554 calls) Parallel routines fft_scatter : 58.22s CPU 59.11s WALL ( 769567 calls) PWSCF : 6m35.35s CPU 7m 1.19s WALL This run was terminated on: 17:37: 1 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=