Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:36:56 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: ./LiO2.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 38 38 11 1522 1522 237 Max 39 39 12 1527 1527 241 Sum 1389 1389 401 54907 54907 8585 bravais-lattice index = 14 lattice parameter (alat) = 5.5955 a.u. unit-cell volume = 389.0256 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 30.00 number of Kohn-Sham states= 38 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.595479 celldm(2)= 1.348193 celldm(3)= 1.647079 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.348193 0.000000 ) a(3) = ( 0.000000 0.000000 1.647079 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.741733 -0.000000 ) b(3) = ( 0.000000 0.000000 0.607136 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Li 3.00 6.94100 Li( 1.00) 8 Sym. Ops., with inversion, found ( 4 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 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.6740966 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8235393 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.6740966 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8235393 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 inversion cryst. s( 5) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 6) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 6) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.6740966 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8235393 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.6740966 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8235393 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_2h (mmm) there are 10 classes and 2 irreducible representations the character table: E -E C2 C2' C2'' i -i s_v s_v' s_v'' -C2 -C2' -C2'' -s_v -s_v' -s_v' G_5+ 2.00 -2.00 0.00 0.00 0.00 2.00 -2.00 0.00 0.00 0.00 G_5- 2.00 -2.00 0.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] C2' -C2' 3 -3 180 deg rotation - cart. axis [0,1,0] C2'' -C2'' 4 -4 180 deg rotation - cart. axis [1,0,0] i 5 inversion -i -5 inversion E s_v -s_v 6 -6 inv. 180 deg rotation - cart. axis [0,0,1] s_v'-s_v' 7 -7 inv. 180 deg rotation - cart. axis [0,1,0] s_v''-s_v' 8 -8 inv. 180 deg rotation - cart. axis [1,0,0] Cartesian axes number of k points= 520 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019231 k( 2) = ( 0.0092593 -0.0000000 -0.0000000), wk = 0.0019231 k( 3) = ( 0.0185185 -0.0000000 -0.0000000), wk = 0.0019231 k( 4) = ( 0.0277778 -0.0000000 -0.0000000), wk = 0.0019231 k( 5) = ( 0.0370370 -0.0000000 -0.0000000), wk = 0.0019231 k( 6) = ( 0.0462963 -0.0000000 -0.0000000), wk = 0.0019231 k( 7) = ( 0.0555556 -0.0000000 -0.0000000), wk = 0.0019231 k( 8) = ( 0.0648148 -0.0000000 -0.0000000), wk = 0.0019231 k( 9) = ( 0.0740741 -0.0000000 -0.0000000), wk = 0.0019231 k( 10) = ( 0.0833333 -0.0000000 -0.0000000), wk = 0.0019231 k( 11) = ( 0.0925926 -0.0000000 -0.0000000), wk = 0.0019231 k( 12) = ( 0.1018518 -0.0000000 -0.0000000), wk = 0.0019231 k( 13) = ( 0.1111111 -0.0000000 -0.0000000), wk = 0.0019231 k( 14) = ( 0.1203704 -0.0000000 -0.0000000), wk = 0.0019231 k( 15) = ( 0.1296296 -0.0000000 -0.0000000), wk = 0.0019231 k( 16) = ( 0.1388889 -0.0000000 -0.0000000), wk = 0.0019231 k( 17) = ( 0.1481482 -0.0000000 -0.0000000), wk = 0.0019231 k( 18) = ( 0.1574074 -0.0000000 -0.0000000), wk = 0.0019231 k( 19) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0019231 k( 20) = ( 0.1759259 -0.0000000 -0.0000000), wk = 0.0019231 k( 21) = ( 0.1851852 -0.0000000 -0.0000000), wk = 0.0019231 k( 22) = ( 0.1944444 -0.0000000 -0.0000000), wk = 0.0019231 k( 23) = ( 0.2037037 -0.0000000 -0.0000000), wk = 0.0019231 k( 24) = ( 0.2129630 -0.0000000 -0.0000000), wk = 0.0019231 k( 25) = ( 0.2222222 -0.0000000 -0.0000000), wk = 0.0019231 k( 26) = ( 0.2314815 -0.0000000 -0.0000000), wk = 0.0019231 k( 27) = ( 0.2407407 -0.0000000 -0.0000000), wk = 0.0019231 k( 28) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0019231 k( 29) = ( 0.2592593 -0.0000000 -0.0000000), wk = 0.0019231 k( 30) = ( 0.2685185 -0.0000000 -0.0000000), wk = 0.0019231 k( 31) = ( 0.2777778 -0.0000000 -0.0000000), wk = 0.0019231 k( 32) = ( 0.2870370 -0.0000000 -0.0000000), wk = 0.0019231 k( 33) = ( 0.2962963 -0.0000000 -0.0000000), wk = 0.0019231 k( 34) = ( 0.3055556 -0.0000000 -0.0000000), wk = 0.0019231 k( 35) = ( 0.3148148 -0.0000000 -0.0000000), wk = 0.0019231 k( 36) = ( 0.3240741 -0.0000000 -0.0000000), wk = 0.0019231 k( 37) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0019231 k( 38) = ( 0.3425926 -0.0000000 -0.0000000), wk = 0.0019231 k( 39) = ( 0.3518519 -0.0000000 -0.0000000), wk = 0.0019231 k( 40) = ( 0.3611111 -0.0000000 -0.0000000), wk = 0.0019231 k( 41) = ( 0.3703704 -0.0000000 -0.0000000), wk = 0.0019231 k( 42) = ( 0.3796296 -0.0000000 -0.0000000), wk = 0.0019231 k( 43) = ( 0.3888889 -0.0000000 -0.0000000), wk = 0.0019231 k( 44) = ( 0.3981481 -0.0000000 -0.0000000), wk = 0.0019231 k( 45) = ( 0.4074074 -0.0000000 -0.0000000), wk = 0.0019231 k( 46) = ( 0.4166667 -0.0000000 -0.0000000), wk = 0.0019231 k( 47) = ( 0.4259259 -0.0000000 -0.0000000), wk = 0.0019231 k( 48) = ( 0.4351852 -0.0000000 -0.0000000), wk = 0.0019231 k( 49) = ( 0.4444444 -0.0000000 -0.0000000), wk = 0.0019231 k( 50) = ( 0.4537037 -0.0000000 -0.0000000), wk = 0.0019231 k( 51) = ( 0.4629630 -0.0000000 -0.0000000), wk = 0.0019231 k( 52) = ( 0.4722222 -0.0000000 -0.0000000), wk = 0.0019231 k( 53) = ( 0.4814815 -0.0000000 -0.0000000), wk = 0.0019231 k( 54) = ( 0.4907407 -0.0000000 -0.0000000), wk = 0.0019231 k( 55) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0019231 k( 56) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0019231 k( 57) = ( 0.5000000 0.0092717 -0.0000000), wk = 0.0019231 k( 58) = ( 0.5000000 0.0185433 -0.0000000), wk = 0.0019231 k( 59) = ( 0.5000000 0.0278150 -0.0000000), wk = 0.0019231 k( 60) = ( 0.5000000 0.0370867 -0.0000000), wk = 0.0019231 k( 61) = ( 0.5000000 0.0463583 -0.0000000), wk = 0.0019231 k( 62) = ( 0.5000000 0.0556300 -0.0000000), wk = 0.0019231 k( 63) = ( 0.5000000 0.0649017 -0.0000000), wk = 0.0019231 k( 64) = ( 0.5000000 0.0741733 -0.0000000), wk = 0.0019231 k( 65) = ( 0.5000000 0.0834450 -0.0000000), wk = 0.0019231 k( 66) = ( 0.5000000 0.0927167 -0.0000000), wk = 0.0019231 k( 67) = ( 0.5000000 0.1019884 -0.0000000), wk = 0.0019231 k( 68) = ( 0.5000000 0.1112600 -0.0000000), wk = 0.0019231 k( 69) = ( 0.5000000 0.1205317 -0.0000000), wk = 0.0019231 k( 70) = ( 0.5000000 0.1298034 -0.0000000), wk = 0.0019231 k( 71) = ( 0.5000000 0.1390750 -0.0000000), wk = 0.0019231 k( 72) = ( 0.5000000 0.1483467 -0.0000000), wk = 0.0019231 k( 73) = ( 0.5000000 0.1576184 -0.0000000), wk = 0.0019231 k( 74) = ( 0.5000000 0.1668900 -0.0000000), wk = 0.0019231 k( 75) = ( 0.5000000 0.1761617 -0.0000000), wk = 0.0019231 k( 76) = ( 0.5000000 0.1854334 -0.0000000), wk = 0.0019231 k( 77) = ( 0.5000000 0.1947050 -0.0000000), wk = 0.0019231 k( 78) = ( 0.5000000 0.2039767 -0.0000000), wk = 0.0019231 k( 79) = ( 0.5000000 0.2132484 -0.0000000), wk = 0.0019231 k( 80) = ( 0.5000000 0.2225200 -0.0000000), wk = 0.0019231 k( 81) = ( 0.5000000 0.2317917 -0.0000000), wk = 0.0019231 k( 82) = ( 0.5000000 0.2410634 -0.0000000), wk = 0.0019231 k( 83) = ( 0.5000000 0.2503350 -0.0000000), wk = 0.0019231 k( 84) = ( 0.5000000 0.2596067 -0.0000000), wk = 0.0019231 k( 85) = ( 0.5000000 0.2688784 -0.0000000), wk = 0.0019231 k( 86) = ( 0.5000000 0.2781501 -0.0000000), wk = 0.0019231 k( 87) = ( 0.5000000 0.2874217 -0.0000000), wk = 0.0019231 k( 88) = ( 0.5000000 0.2966934 -0.0000000), wk = 0.0019231 k( 89) = ( 0.5000000 0.3059651 -0.0000000), wk = 0.0019231 k( 90) = ( 0.5000000 0.3152367 -0.0000000), wk = 0.0019231 k( 91) = ( 0.5000000 0.3245084 -0.0000000), wk = 0.0019231 k( 92) = ( 0.5000000 0.3337801 -0.0000000), wk = 0.0019231 k( 93) = ( 0.5000000 0.3430517 -0.0000000), wk = 0.0019231 k( 94) = ( 0.5000000 0.3523234 -0.0000000), wk = 0.0019231 k( 95) = ( 0.5000000 0.3615951 -0.0000000), wk = 0.0019231 k( 96) = ( 0.5000000 0.3708667 -0.0000000), wk = 0.0019231 k( 97) = ( 0.5000000 0.3708667 -0.0000000), wk = 0.0019231 k( 98) = ( 0.4907407 0.3708667 -0.0000000), wk = 0.0019231 k( 99) = ( 0.4814815 0.3708667 -0.0000000), wk = 0.0019231 k( 100) = ( 0.4722222 0.3708667 -0.0000000), wk = 0.0019231 k( 101) = ( 0.4629630 0.3708667 -0.0000000), wk = 0.0019231 k( 102) = ( 0.4537037 0.3708667 -0.0000000), wk = 0.0019231 k( 103) = ( 0.4444444 0.3708667 -0.0000000), wk = 0.0019231 k( 104) = ( 0.4351852 0.3708667 -0.0000000), wk = 0.0019231 k( 105) = ( 0.4259259 0.3708667 -0.0000000), wk = 0.0019231 k( 106) = ( 0.4166667 0.3708667 -0.0000000), wk = 0.0019231 k( 107) = ( 0.4074074 0.3708667 -0.0000000), wk = 0.0019231 k( 108) = ( 0.3981481 0.3708667 -0.0000000), wk = 0.0019231 k( 109) = ( 0.3888889 0.3708667 -0.0000000), wk = 0.0019231 k( 110) = ( 0.3796296 0.3708667 -0.0000000), wk = 0.0019231 k( 111) = ( 0.3703704 0.3708667 -0.0000000), wk = 0.0019231 k( 112) = ( 0.3611111 0.3708667 -0.0000000), wk = 0.0019231 k( 113) = ( 0.3518519 0.3708667 -0.0000000), wk = 0.0019231 k( 114) = ( 0.3425926 0.3708667 -0.0000000), wk = 0.0019231 k( 115) = ( 0.3333333 0.3708667 -0.0000000), wk = 0.0019231 k( 116) = ( 0.3240741 0.3708667 -0.0000000), wk = 0.0019231 k( 117) = ( 0.3148148 0.3708667 -0.0000000), wk = 0.0019231 k( 118) = ( 0.3055556 0.3708667 -0.0000000), wk = 0.0019231 k( 119) = ( 0.2962963 0.3708667 -0.0000000), wk = 0.0019231 k( 120) = ( 0.2870370 0.3708667 -0.0000000), wk = 0.0019231 k( 121) = ( 0.2777778 0.3708667 -0.0000000), wk = 0.0019231 k( 122) = ( 0.2685185 0.3708667 -0.0000000), wk = 0.0019231 k( 123) = ( 0.2592593 0.3708667 -0.0000000), wk = 0.0019231 k( 124) = ( 0.2500000 0.3708667 -0.0000000), wk = 0.0019231 k( 125) = ( 0.2407407 0.3708667 -0.0000000), wk = 0.0019231 k( 126) = ( 0.2314815 0.3708667 -0.0000000), wk = 0.0019231 k( 127) = ( 0.2222222 0.3708667 -0.0000000), wk = 0.0019231 k( 128) = ( 0.2129630 0.3708667 -0.0000000), wk = 0.0019231 k( 129) = ( 0.2037037 0.3708667 -0.0000000), wk = 0.0019231 k( 130) = ( 0.1944444 0.3708667 -0.0000000), wk = 0.0019231 k( 131) = ( 0.1851852 0.3708667 -0.0000000), wk = 0.0019231 k( 132) = ( 0.1759259 0.3708667 -0.0000000), wk = 0.0019231 k( 133) = ( 0.1666667 0.3708667 -0.0000000), wk = 0.0019231 k( 134) = ( 0.1574074 0.3708667 -0.0000000), wk = 0.0019231 k( 135) = ( 0.1481482 0.3708667 -0.0000000), wk = 0.0019231 k( 136) = ( 0.1388889 0.3708667 -0.0000000), wk = 0.0019231 k( 137) = ( 0.1296296 0.3708667 -0.0000000), wk = 0.0019231 k( 138) = ( 0.1203704 0.3708667 -0.0000000), wk = 0.0019231 k( 139) = ( 0.1111111 0.3708667 -0.0000000), wk = 0.0019231 k( 140) = ( 0.1018518 0.3708667 -0.0000000), wk = 0.0019231 k( 141) = ( 0.0925926 0.3708667 -0.0000000), wk = 0.0019231 k( 142) = ( 0.0833333 0.3708667 -0.0000000), wk = 0.0019231 k( 143) = ( 0.0740741 0.3708667 -0.0000000), wk = 0.0019231 k( 144) = ( 0.0648148 0.3708667 -0.0000000), wk = 0.0019231 k( 145) = ( 0.0555556 0.3708667 -0.0000000), wk = 0.0019231 k( 146) = ( 0.0462963 0.3708667 -0.0000000), wk = 0.0019231 k( 147) = ( 0.0370370 0.3708667 -0.0000000), wk = 0.0019231 k( 148) = ( 0.0277778 0.3708667 -0.0000000), wk = 0.0019231 k( 149) = ( 0.0185185 0.3708667 -0.0000000), wk = 0.0019231 k( 150) = ( 0.0092593 0.3708667 -0.0000000), wk = 0.0019231 k( 151) = ( 0.0000000 0.3708667 -0.0000000), wk = 0.0019231 k( 152) = ( 0.0000000 0.3708667 -0.0000000), wk = 0.0019231 k( 153) = ( 0.0000000 0.3615951 -0.0000000), wk = 0.0019231 k( 154) = ( 0.0000000 0.3523234 -0.0000000), wk = 0.0019231 k( 155) = ( 0.0000000 0.3430517 -0.0000000), wk = 0.0019231 k( 156) = ( 0.0000000 0.3337801 -0.0000000), wk = 0.0019231 k( 157) = ( 0.0000000 0.3245084 -0.0000000), wk = 0.0019231 k( 158) = ( 0.0000000 0.3152367 -0.0000000), wk = 0.0019231 k( 159) = ( 0.0000000 0.3059651 -0.0000000), wk = 0.0019231 k( 160) = ( 0.0000000 0.2966934 -0.0000000), wk = 0.0019231 k( 161) = ( 0.0000000 0.2874217 -0.0000000), wk = 0.0019231 k( 162) = ( 0.0000000 0.2781501 -0.0000000), wk = 0.0019231 k( 163) = ( 0.0000000 0.2688784 -0.0000000), wk = 0.0019231 k( 164) = ( 0.0000000 0.2596067 -0.0000000), wk = 0.0019231 k( 165) = ( 0.0000000 0.2503350 -0.0000000), wk = 0.0019231 k( 166) = ( 0.0000000 0.2410634 -0.0000000), wk = 0.0019231 k( 167) = ( 0.0000000 0.2317917 -0.0000000), wk = 0.0019231 k( 168) = ( 0.0000000 0.2225200 -0.0000000), wk = 0.0019231 k( 169) = ( 0.0000000 0.2132484 -0.0000000), wk = 0.0019231 k( 170) = ( 0.0000000 0.2039767 -0.0000000), wk = 0.0019231 k( 171) = ( 0.0000000 0.1947050 -0.0000000), wk = 0.0019231 k( 172) = ( 0.0000000 0.1854334 -0.0000000), wk = 0.0019231 k( 173) = ( 0.0000000 0.1761617 -0.0000000), wk = 0.0019231 k( 174) = ( 0.0000000 0.1668900 -0.0000000), wk = 0.0019231 k( 175) = ( 0.0000000 0.1576184 -0.0000000), wk = 0.0019231 k( 176) = ( 0.0000000 0.1483467 -0.0000000), wk = 0.0019231 k( 177) = ( 0.0000000 0.1390750 -0.0000000), wk = 0.0019231 k( 178) = ( 0.0000000 0.1298034 -0.0000000), wk = 0.0019231 k( 179) = ( 0.0000000 0.1205317 -0.0000000), wk = 0.0019231 k( 180) = ( 0.0000000 0.1112600 -0.0000000), wk = 0.0019231 k( 181) = ( 0.0000000 0.1019884 -0.0000000), wk = 0.0019231 k( 182) = ( 0.0000000 0.0927167 -0.0000000), wk = 0.0019231 k( 183) = ( 0.0000000 0.0834450 -0.0000000), wk = 0.0019231 k( 184) = ( 0.0000000 0.0741733 -0.0000000), wk = 0.0019231 k( 185) = ( 0.0000000 0.0649017 -0.0000000), wk = 0.0019231 k( 186) = ( 0.0000000 0.0556300 -0.0000000), wk = 0.0019231 k( 187) = ( 0.0000000 0.0463583 -0.0000000), wk = 0.0019231 k( 188) = ( 0.0000000 0.0370867 -0.0000000), wk = 0.0019231 k( 189) = ( 0.0000000 0.0278150 -0.0000000), wk = 0.0019231 k( 190) = ( 0.0000000 0.0185433 -0.0000000), wk = 0.0019231 k( 191) = ( 0.0000000 0.0092717 -0.0000000), wk = 0.0019231 k( 192) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019231 k( 193) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019231 k( 194) = ( 0.0000000 0.0000000 0.0091990), wk = 0.0019231 k( 195) = ( 0.0000000 0.0000000 0.0183980), wk = 0.0019231 k( 196) = ( 0.0000000 0.0000000 0.0275971), wk = 0.0019231 k( 197) = ( 0.0000000 0.0000000 0.0367961), wk = 0.0019231 k( 198) = ( 0.0000000 0.0000000 0.0459951), wk = 0.0019231 k( 199) = ( 0.0000000 0.0000000 0.0551941), wk = 0.0019231 k( 200) = ( 0.0000000 0.0000000 0.0643932), wk = 0.0019231 k( 201) = ( 0.0000000 0.0000000 0.0735922), wk = 0.0019231 k( 202) = ( 0.0000000 0.0000000 0.0827912), wk = 0.0019231 k( 203) = ( 0.0000000 0.0000000 0.0919902), wk = 0.0019231 k( 204) = ( 0.0000000 0.0000000 0.1011893), wk = 0.0019231 k( 205) = ( 0.0000000 0.0000000 0.1103883), wk = 0.0019231 k( 206) = ( 0.0000000 0.0000000 0.1195873), wk = 0.0019231 k( 207) = ( 0.0000000 0.0000000 0.1287863), wk = 0.0019231 k( 208) = ( 0.0000000 0.0000000 0.1379854), wk = 0.0019231 k( 209) = ( 0.0000000 0.0000000 0.1471844), wk = 0.0019231 k( 210) = ( 0.0000000 0.0000000 0.1563834), wk = 0.0019231 k( 211) = ( 0.0000000 0.0000000 0.1655824), wk = 0.0019231 k( 212) = ( 0.0000000 0.0000000 0.1747814), wk = 0.0019231 k( 213) = ( 0.0000000 0.0000000 0.1839805), wk = 0.0019231 k( 214) = ( 0.0000000 0.0000000 0.1931795), wk = 0.0019231 k( 215) = ( 0.0000000 0.0000000 0.2023785), wk = 0.0019231 k( 216) = ( 0.0000000 0.0000000 0.2115775), wk = 0.0019231 k( 217) = ( 0.0000000 0.0000000 0.2207766), wk = 0.0019231 k( 218) = ( 0.0000000 0.0000000 0.2299756), wk = 0.0019231 k( 219) = ( 0.0000000 0.0000000 0.2391746), wk = 0.0019231 k( 220) = ( 0.0000000 0.0000000 0.2483736), wk = 0.0019231 k( 221) = ( 0.0000000 0.0000000 0.2575726), wk = 0.0019231 k( 222) = ( 0.0000000 0.0000000 0.2667717), wk = 0.0019231 k( 223) = ( 0.0000000 0.0000000 0.2759707), wk = 0.0019231 k( 224) = ( 0.0000000 0.0000000 0.2851697), wk = 0.0019231 k( 225) = ( 0.0000000 0.0000000 0.2943687), wk = 0.0019231 k( 226) = ( 0.0000000 0.0000000 0.3035678), wk = 0.0019231 k( 227) = ( 0.0000000 0.0000000 0.3035678), wk = 0.0019231 k( 228) = ( 0.0092593 -0.0000000 0.3035678), wk = 0.0019231 k( 229) = ( 0.0185185 -0.0000000 0.3035678), wk = 0.0019231 k( 230) = ( 0.0277778 -0.0000000 0.3035678), wk = 0.0019231 k( 231) = ( 0.0370370 -0.0000000 0.3035678), wk = 0.0019231 k( 232) = ( 0.0462963 -0.0000000 0.3035678), wk = 0.0019231 k( 233) = ( 0.0555556 -0.0000000 0.3035678), wk = 0.0019231 k( 234) = ( 0.0648148 -0.0000000 0.3035678), wk = 0.0019231 k( 235) = ( 0.0740741 -0.0000000 0.3035678), wk = 0.0019231 k( 236) = ( 0.0833333 -0.0000000 0.3035678), wk = 0.0019231 k( 237) = ( 0.0925926 -0.0000000 0.3035678), wk = 0.0019231 k( 238) = ( 0.1018518 -0.0000000 0.3035678), wk = 0.0019231 k( 239) = ( 0.1111111 -0.0000000 0.3035678), wk = 0.0019231 k( 240) = ( 0.1203704 -0.0000000 0.3035678), wk = 0.0019231 k( 241) = ( 0.1296296 -0.0000000 0.3035678), wk = 0.0019231 k( 242) = ( 0.1388889 -0.0000000 0.3035678), wk = 0.0019231 k( 243) = ( 0.1481482 -0.0000000 0.3035678), wk = 0.0019231 k( 244) = ( 0.1574074 -0.0000000 0.3035678), wk = 0.0019231 k( 245) = ( 0.1666667 -0.0000000 0.3035678), wk = 0.0019231 k( 246) = ( 0.1759259 -0.0000000 0.3035678), wk = 0.0019231 k( 247) = ( 0.1851852 -0.0000000 0.3035678), wk = 0.0019231 k( 248) = ( 0.1944444 -0.0000000 0.3035678), wk = 0.0019231 k( 249) = ( 0.2037037 -0.0000000 0.3035678), wk = 0.0019231 k( 250) = ( 0.2129630 -0.0000000 0.3035678), wk = 0.0019231 k( 251) = ( 0.2222222 -0.0000000 0.3035678), wk = 0.0019231 k( 252) = ( 0.2314815 -0.0000000 0.3035678), wk = 0.0019231 k( 253) = ( 0.2407407 -0.0000000 0.3035678), wk = 0.0019231 k( 254) = ( 0.2500000 -0.0000000 0.3035678), wk = 0.0019231 k( 255) = ( 0.2592593 -0.0000000 0.3035678), wk = 0.0019231 k( 256) = ( 0.2685185 -0.0000000 0.3035678), wk = 0.0019231 k( 257) = ( 0.2777778 -0.0000000 0.3035678), wk = 0.0019231 k( 258) = ( 0.2870370 -0.0000000 0.3035678), wk = 0.0019231 k( 259) = ( 0.2962963 -0.0000000 0.3035678), wk = 0.0019231 k( 260) = ( 0.3055556 -0.0000000 0.3035678), wk = 0.0019231 k( 261) = ( 0.3148148 -0.0000000 0.3035678), wk = 0.0019231 k( 262) = ( 0.3240741 -0.0000000 0.3035678), wk = 0.0019231 k( 263) = ( 0.3333333 -0.0000000 0.3035678), wk = 0.0019231 k( 264) = ( 0.3425926 -0.0000000 0.3035678), wk = 0.0019231 k( 265) = ( 0.3518519 -0.0000000 0.3035678), wk = 0.0019231 k( 266) = ( 0.3611111 -0.0000000 0.3035678), wk = 0.0019231 k( 267) = ( 0.3703704 -0.0000000 0.3035678), wk = 0.0019231 k( 268) = ( 0.3796296 -0.0000000 0.3035678), wk = 0.0019231 k( 269) = ( 0.3888889 -0.0000000 0.3035678), wk = 0.0019231 k( 270) = ( 0.3981481 -0.0000000 0.3035678), wk = 0.0019231 k( 271) = ( 0.4074074 -0.0000000 0.3035678), wk = 0.0019231 k( 272) = ( 0.4166667 -0.0000000 0.3035678), wk = 0.0019231 k( 273) = ( 0.4259259 -0.0000000 0.3035678), wk = 0.0019231 k( 274) = ( 0.4351852 -0.0000000 0.3035678), wk = 0.0019231 k( 275) = ( 0.4444444 -0.0000000 0.3035678), wk = 0.0019231 k( 276) = ( 0.4537037 -0.0000000 0.3035678), wk = 0.0019231 k( 277) = ( 0.4629630 -0.0000000 0.3035678), wk = 0.0019231 k( 278) = ( 0.4722222 -0.0000000 0.3035678), wk = 0.0019231 k( 279) = ( 0.4814815 -0.0000000 0.3035678), wk = 0.0019231 k( 280) = ( 0.4907407 -0.0000000 0.3035678), wk = 0.0019231 k( 281) = ( 0.5000000 -0.0000000 0.3035678), wk = 0.0019231 k( 282) = ( 0.5000000 -0.0000000 0.3035678), wk = 0.0019231 k( 283) = ( 0.5000000 0.0092717 0.3035678), wk = 0.0019231 k( 284) = ( 0.5000000 0.0185433 0.3035678), wk = 0.0019231 k( 285) = ( 0.5000000 0.0278150 0.3035678), wk = 0.0019231 k( 286) = ( 0.5000000 0.0370867 0.3035678), wk = 0.0019231 k( 287) = ( 0.5000000 0.0463583 0.3035678), wk = 0.0019231 k( 288) = ( 0.5000000 0.0556300 0.3035678), wk = 0.0019231 k( 289) = ( 0.5000000 0.0649017 0.3035678), wk = 0.0019231 k( 290) = ( 0.5000000 0.0741733 0.3035678), wk = 0.0019231 k( 291) = ( 0.5000000 0.0834450 0.3035678), wk = 0.0019231 k( 292) = ( 0.5000000 0.0927167 0.3035678), wk = 0.0019231 k( 293) = ( 0.5000000 0.1019884 0.3035678), wk = 0.0019231 k( 294) = ( 0.5000000 0.1112600 0.3035678), wk = 0.0019231 k( 295) = ( 0.5000000 0.1205317 0.3035678), wk = 0.0019231 k( 296) = ( 0.5000000 0.1298034 0.3035678), wk = 0.0019231 k( 297) = ( 0.5000000 0.1390750 0.3035678), wk = 0.0019231 k( 298) = ( 0.5000000 0.1483467 0.3035678), wk = 0.0019231 k( 299) = ( 0.5000000 0.1576184 0.3035678), wk = 0.0019231 k( 300) = ( 0.5000000 0.1668900 0.3035678), wk = 0.0019231 k( 301) = ( 0.5000000 0.1761617 0.3035678), wk = 0.0019231 k( 302) = ( 0.5000000 0.1854334 0.3035678), wk = 0.0019231 k( 303) = ( 0.5000000 0.1947050 0.3035678), wk = 0.0019231 k( 304) = ( 0.5000000 0.2039767 0.3035678), wk = 0.0019231 k( 305) = ( 0.5000000 0.2132484 0.3035678), wk = 0.0019231 k( 306) = ( 0.5000000 0.2225200 0.3035678), wk = 0.0019231 k( 307) = ( 0.5000000 0.2317917 0.3035678), wk = 0.0019231 k( 308) = ( 0.5000000 0.2410634 0.3035678), wk = 0.0019231 k( 309) = ( 0.5000000 0.2503350 0.3035678), wk = 0.0019231 k( 310) = ( 0.5000000 0.2596067 0.3035678), wk = 0.0019231 k( 311) = ( 0.5000000 0.2688784 0.3035678), wk = 0.0019231 k( 312) = ( 0.5000000 0.2781501 0.3035678), wk = 0.0019231 k( 313) = ( 0.5000000 0.2874217 0.3035678), wk = 0.0019231 k( 314) = ( 0.5000000 0.2966934 0.3035678), wk = 0.0019231 k( 315) = ( 0.5000000 0.3059651 0.3035678), wk = 0.0019231 k( 316) = ( 0.5000000 0.3152367 0.3035678), wk = 0.0019231 k( 317) = ( 0.5000000 0.3245084 0.3035678), wk = 0.0019231 k( 318) = ( 0.5000000 0.3337801 0.3035678), wk = 0.0019231 k( 319) = ( 0.5000000 0.3430517 0.3035678), wk = 0.0019231 k( 320) = ( 0.5000000 0.3523234 0.3035678), wk = 0.0019231 k( 321) = ( 0.5000000 0.3615951 0.3035678), wk = 0.0019231 k( 322) = ( 0.5000000 0.3708667 0.3035678), wk = 0.0019231 k( 323) = ( 0.5000000 0.3708667 0.3035678), wk = 0.0019231 k( 324) = ( 0.4907407 0.3708667 0.3035678), wk = 0.0019231 k( 325) = ( 0.4814815 0.3708667 0.3035678), wk = 0.0019231 k( 326) = ( 0.4722222 0.3708667 0.3035678), wk = 0.0019231 k( 327) = ( 0.4629630 0.3708667 0.3035678), wk = 0.0019231 k( 328) = ( 0.4537037 0.3708667 0.3035678), wk = 0.0019231 k( 329) = ( 0.4444444 0.3708667 0.3035678), wk = 0.0019231 k( 330) = ( 0.4351852 0.3708667 0.3035678), wk = 0.0019231 k( 331) = ( 0.4259259 0.3708667 0.3035678), wk = 0.0019231 k( 332) = ( 0.4166667 0.3708667 0.3035678), wk = 0.0019231 k( 333) = ( 0.4074074 0.3708667 0.3035678), wk = 0.0019231 k( 334) = ( 0.3981481 0.3708667 0.3035678), wk = 0.0019231 k( 335) = ( 0.3888889 0.3708667 0.3035678), wk = 0.0019231 k( 336) = ( 0.3796296 0.3708667 0.3035678), wk = 0.0019231 k( 337) = ( 0.3703704 0.3708667 0.3035678), wk = 0.0019231 k( 338) = ( 0.3611111 0.3708667 0.3035678), wk = 0.0019231 k( 339) = ( 0.3518519 0.3708667 0.3035678), wk = 0.0019231 k( 340) = ( 0.3425926 0.3708667 0.3035678), wk = 0.0019231 k( 341) = ( 0.3333333 0.3708667 0.3035678), wk = 0.0019231 k( 342) = ( 0.3240741 0.3708667 0.3035678), wk = 0.0019231 k( 343) = ( 0.3148148 0.3708667 0.3035678), wk = 0.0019231 k( 344) = ( 0.3055556 0.3708667 0.3035678), wk = 0.0019231 k( 345) = ( 0.2962963 0.3708667 0.3035678), wk = 0.0019231 k( 346) = ( 0.2870370 0.3708667 0.3035678), wk = 0.0019231 k( 347) = ( 0.2777778 0.3708667 0.3035678), wk = 0.0019231 k( 348) = ( 0.2685185 0.3708667 0.3035678), wk = 0.0019231 k( 349) = ( 0.2592593 0.3708667 0.3035678), wk = 0.0019231 k( 350) = ( 0.2500000 0.3708667 0.3035678), wk = 0.0019231 k( 351) = ( 0.2407407 0.3708667 0.3035678), wk = 0.0019231 k( 352) = ( 0.2314815 0.3708667 0.3035678), wk = 0.0019231 k( 353) = ( 0.2222222 0.3708667 0.3035678), wk = 0.0019231 k( 354) = ( 0.2129630 0.3708667 0.3035678), wk = 0.0019231 k( 355) = ( 0.2037037 0.3708667 0.3035678), wk = 0.0019231 k( 356) = ( 0.1944444 0.3708667 0.3035678), wk = 0.0019231 k( 357) = ( 0.1851852 0.3708667 0.3035678), wk = 0.0019231 k( 358) = ( 0.1759259 0.3708667 0.3035678), wk = 0.0019231 k( 359) = ( 0.1666667 0.3708667 0.3035678), wk = 0.0019231 k( 360) = ( 0.1574074 0.3708667 0.3035678), wk = 0.0019231 k( 361) = ( 0.1481482 0.3708667 0.3035678), wk = 0.0019231 k( 362) = ( 0.1388889 0.3708667 0.3035678), wk = 0.0019231 k( 363) = ( 0.1296296 0.3708667 0.3035678), wk = 0.0019231 k( 364) = ( 0.1203704 0.3708667 0.3035678), wk = 0.0019231 k( 365) = ( 0.1111111 0.3708667 0.3035678), wk = 0.0019231 k( 366) = ( 0.1018518 0.3708667 0.3035678), wk = 0.0019231 k( 367) = ( 0.0925926 0.3708667 0.3035678), wk = 0.0019231 k( 368) = ( 0.0833333 0.3708667 0.3035678), wk = 0.0019231 k( 369) = ( 0.0740741 0.3708667 0.3035678), wk = 0.0019231 k( 370) = ( 0.0648148 0.3708667 0.3035678), wk = 0.0019231 k( 371) = ( 0.0555556 0.3708667 0.3035678), wk = 0.0019231 k( 372) = ( 0.0462963 0.3708667 0.3035678), wk = 0.0019231 k( 373) = ( 0.0370370 0.3708667 0.3035678), wk = 0.0019231 k( 374) = ( 0.0277778 0.3708667 0.3035678), wk = 0.0019231 k( 375) = ( 0.0185185 0.3708667 0.3035678), wk = 0.0019231 k( 376) = ( 0.0092593 0.3708667 0.3035678), wk = 0.0019231 k( 377) = ( 0.0000000 0.3708667 0.3035678), wk = 0.0019231 k( 378) = ( 0.0000000 0.3708667 0.3035678), wk = 0.0019231 k( 379) = ( 0.0000000 0.3615951 0.3035678), wk = 0.0019231 k( 380) = ( 0.0000000 0.3523234 0.3035678), wk = 0.0019231 k( 381) = ( 0.0000000 0.3430517 0.3035678), wk = 0.0019231 k( 382) = ( 0.0000000 0.3337801 0.3035678), wk = 0.0019231 k( 383) = ( 0.0000000 0.3245084 0.3035678), wk = 0.0019231 k( 384) = ( 0.0000000 0.3152367 0.3035678), wk = 0.0019231 k( 385) = ( 0.0000000 0.3059651 0.3035678), wk = 0.0019231 k( 386) = ( 0.0000000 0.2966934 0.3035678), wk = 0.0019231 k( 387) = ( 0.0000000 0.2874217 0.3035678), wk = 0.0019231 k( 388) = ( 0.0000000 0.2781501 0.3035678), wk = 0.0019231 k( 389) = ( 0.0000000 0.2688784 0.3035678), wk = 0.0019231 k( 390) = ( 0.0000000 0.2596067 0.3035678), wk = 0.0019231 k( 391) = ( 0.0000000 0.2503350 0.3035678), wk = 0.0019231 k( 392) = ( 0.0000000 0.2410634 0.3035678), wk = 0.0019231 k( 393) = ( 0.0000000 0.2317917 0.3035678), wk = 0.0019231 k( 394) = ( 0.0000000 0.2225200 0.3035678), wk = 0.0019231 k( 395) = ( 0.0000000 0.2132484 0.3035678), wk = 0.0019231 k( 396) = ( 0.0000000 0.2039767 0.3035678), wk = 0.0019231 k( 397) = ( 0.0000000 0.1947050 0.3035678), wk = 0.0019231 k( 398) = ( 0.0000000 0.1854334 0.3035678), wk = 0.0019231 k( 399) = ( 0.0000000 0.1761617 0.3035678), wk = 0.0019231 k( 400) = ( 0.0000000 0.1668900 0.3035678), wk = 0.0019231 k( 401) = ( 0.0000000 0.1576184 0.3035678), wk = 0.0019231 k( 402) = ( 0.0000000 0.1483467 0.3035678), wk = 0.0019231 k( 403) = ( 0.0000000 0.1390750 0.3035678), wk = 0.0019231 k( 404) = ( 0.0000000 0.1298034 0.3035678), wk = 0.0019231 k( 405) = ( 0.0000000 0.1205317 0.3035678), wk = 0.0019231 k( 406) = ( 0.0000000 0.1112600 0.3035678), wk = 0.0019231 k( 407) = ( 0.0000000 0.1019884 0.3035678), wk = 0.0019231 k( 408) = ( 0.0000000 0.0927167 0.3035678), wk = 0.0019231 k( 409) = ( 0.0000000 0.0834450 0.3035678), wk = 0.0019231 k( 410) = ( 0.0000000 0.0741733 0.3035678), wk = 0.0019231 k( 411) = ( 0.0000000 0.0649017 0.3035678), wk = 0.0019231 k( 412) = ( 0.0000000 0.0556300 0.3035678), wk = 0.0019231 k( 413) = ( 0.0000000 0.0463583 0.3035678), wk = 0.0019231 k( 414) = ( 0.0000000 0.0370867 0.3035678), wk = 0.0019231 k( 415) = ( 0.0000000 0.0278150 0.3035678), wk = 0.0019231 k( 416) = ( 0.0000000 0.0185433 0.3035678), wk = 0.0019231 k( 417) = ( 0.0000000 0.0092717 0.3035678), wk = 0.0019231 k( 418) = ( 0.0000000 0.0000000 0.3035678), wk = 0.0019231 k( 419) = ( 0.0000000 0.3708667 -0.0000000), wk = 0.0019231 k( 420) = ( 0.0000000 0.3708667 0.0091990), wk = 0.0019231 k( 421) = ( 0.0000000 0.3708667 0.0183980), wk = 0.0019231 k( 422) = ( 0.0000000 0.3708667 0.0275971), wk = 0.0019231 k( 423) = ( 0.0000000 0.3708667 0.0367961), wk = 0.0019231 k( 424) = ( 0.0000000 0.3708667 0.0459951), wk = 0.0019231 k( 425) = ( 0.0000000 0.3708667 0.0551941), wk = 0.0019231 k( 426) = ( 0.0000000 0.3708667 0.0643932), wk = 0.0019231 k( 427) = ( 0.0000000 0.3708667 0.0735922), wk = 0.0019231 k( 428) = ( 0.0000000 0.3708667 0.0827912), wk = 0.0019231 k( 429) = ( 0.0000000 0.3708667 0.0919902), wk = 0.0019231 k( 430) = ( 0.0000000 0.3708667 0.1011893), wk = 0.0019231 k( 431) = ( 0.0000000 0.3708667 0.1103883), wk = 0.0019231 k( 432) = ( 0.0000000 0.3708667 0.1195873), wk = 0.0019231 k( 433) = ( 0.0000000 0.3708667 0.1287863), wk = 0.0019231 k( 434) = ( 0.0000000 0.3708667 0.1379854), wk = 0.0019231 k( 435) = ( 0.0000000 0.3708667 0.1471844), wk = 0.0019231 k( 436) = ( 0.0000000 0.3708667 0.1563834), wk = 0.0019231 k( 437) = ( 0.0000000 0.3708667 0.1655824), wk = 0.0019231 k( 438) = ( 0.0000000 0.3708667 0.1747814), wk = 0.0019231 k( 439) = ( 0.0000000 0.3708667 0.1839805), wk = 0.0019231 k( 440) = ( 0.0000000 0.3708667 0.1931795), wk = 0.0019231 k( 441) = ( 0.0000000 0.3708667 0.2023785), wk = 0.0019231 k( 442) = ( 0.0000000 0.3708667 0.2115775), wk = 0.0019231 k( 443) = ( 0.0000000 0.3708667 0.2207766), wk = 0.0019231 k( 444) = ( 0.0000000 0.3708667 0.2299756), wk = 0.0019231 k( 445) = ( 0.0000000 0.3708667 0.2391746), wk = 0.0019231 k( 446) = ( 0.0000000 0.3708667 0.2483736), wk = 0.0019231 k( 447) = ( 0.0000000 0.3708667 0.2575726), wk = 0.0019231 k( 448) = ( 0.0000000 0.3708667 0.2667717), wk = 0.0019231 k( 449) = ( 0.0000000 0.3708667 0.2759707), wk = 0.0019231 k( 450) = ( 0.0000000 0.3708667 0.2851697), wk = 0.0019231 k( 451) = ( 0.0000000 0.3708667 0.2943687), wk = 0.0019231 k( 452) = ( 0.0000000 0.3708667 0.3035678), wk = 0.0019231 k( 453) = ( 0.5000000 -0.0000000 0.3035678), wk = 0.0019231 k( 454) = ( 0.5000000 -0.0000000 0.2943687), wk = 0.0019231 k( 455) = ( 0.5000000 -0.0000000 0.2851697), wk = 0.0019231 k( 456) = ( 0.5000000 -0.0000000 0.2759707), wk = 0.0019231 k( 457) = ( 0.5000000 -0.0000000 0.2667717), wk = 0.0019231 k( 458) = ( 0.5000000 -0.0000000 0.2575726), wk = 0.0019231 k( 459) = ( 0.5000000 -0.0000000 0.2483736), wk = 0.0019231 k( 460) = ( 0.5000000 -0.0000000 0.2391746), wk = 0.0019231 k( 461) = ( 0.5000000 -0.0000000 0.2299756), wk = 0.0019231 k( 462) = ( 0.5000000 -0.0000000 0.2207766), wk = 0.0019231 k( 463) = ( 0.5000000 -0.0000000 0.2115775), wk = 0.0019231 k( 464) = ( 0.5000000 -0.0000000 0.2023785), wk = 0.0019231 k( 465) = ( 0.5000000 -0.0000000 0.1931795), wk = 0.0019231 k( 466) = ( 0.5000000 -0.0000000 0.1839805), wk = 0.0019231 k( 467) = ( 0.5000000 -0.0000000 0.1747814), wk = 0.0019231 k( 468) = ( 0.5000000 -0.0000000 0.1655824), wk = 0.0019231 k( 469) = ( 0.5000000 -0.0000000 0.1563834), wk = 0.0019231 k( 470) = ( 0.5000000 -0.0000000 0.1471844), wk = 0.0019231 k( 471) = ( 0.5000000 -0.0000000 0.1379854), wk = 0.0019231 k( 472) = ( 0.5000000 -0.0000000 0.1287863), wk = 0.0019231 k( 473) = ( 0.5000000 -0.0000000 0.1195873), wk = 0.0019231 k( 474) = ( 0.5000000 -0.0000000 0.1103883), wk = 0.0019231 k( 475) = ( 0.5000000 -0.0000000 0.1011893), wk = 0.0019231 k( 476) = ( 0.5000000 -0.0000000 0.0919902), wk = 0.0019231 k( 477) = ( 0.5000000 -0.0000000 0.0827912), wk = 0.0019231 k( 478) = ( 0.5000000 -0.0000000 0.0735922), wk = 0.0019231 k( 479) = ( 0.5000000 -0.0000000 0.0643932), wk = 0.0019231 k( 480) = ( 0.5000000 -0.0000000 0.0551941), wk = 0.0019231 k( 481) = ( 0.5000000 -0.0000000 0.0459951), wk = 0.0019231 k( 482) = ( 0.5000000 -0.0000000 0.0367961), wk = 0.0019231 k( 483) = ( 0.5000000 -0.0000000 0.0275971), wk = 0.0019231 k( 484) = ( 0.5000000 -0.0000000 0.0183980), wk = 0.0019231 k( 485) = ( 0.5000000 -0.0000000 0.0091990), wk = 0.0019231 k( 486) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0019231 k( 487) = ( 0.5000000 0.3708667 -0.0000000), wk = 0.0019231 k( 488) = ( 0.5000000 0.3708667 0.0091990), wk = 0.0019231 k( 489) = ( 0.5000000 0.3708667 0.0183980), wk = 0.0019231 k( 490) = ( 0.5000000 0.3708667 0.0275971), wk = 0.0019231 k( 491) = ( 0.5000000 0.3708667 0.0367961), wk = 0.0019231 k( 492) = ( 0.5000000 0.3708667 0.0459951), wk = 0.0019231 k( 493) = ( 0.5000000 0.3708667 0.0551941), wk = 0.0019231 k( 494) = ( 0.5000000 0.3708667 0.0643932), wk = 0.0019231 k( 495) = ( 0.5000000 0.3708667 0.0735922), wk = 0.0019231 k( 496) = ( 0.5000000 0.3708667 0.0827912), wk = 0.0019231 k( 497) = ( 0.5000000 0.3708667 0.0919902), wk = 0.0019231 k( 498) = ( 0.5000000 0.3708667 0.1011893), wk = 0.0019231 k( 499) = ( 0.5000000 0.3708667 0.1103883), wk = 0.0019231 k( 500) = ( 0.5000000 0.3708667 0.1195873), wk = 0.0019231 k( 501) = ( 0.5000000 0.3708667 0.1287863), wk = 0.0019231 k( 502) = ( 0.5000000 0.3708667 0.1379854), wk = 0.0019231 k( 503) = ( 0.5000000 0.3708667 0.1471844), wk = 0.0019231 k( 504) = ( 0.5000000 0.3708667 0.1563834), wk = 0.0019231 k( 505) = ( 0.5000000 0.3708667 0.1655824), wk = 0.0019231 k( 506) = ( 0.5000000 0.3708667 0.1747814), wk = 0.0019231 k( 507) = ( 0.5000000 0.3708667 0.1839805), wk = 0.0019231 k( 508) = ( 0.5000000 0.3708667 0.1931795), wk = 0.0019231 k( 509) = ( 0.5000000 0.3708667 0.2023785), wk = 0.0019231 k( 510) = ( 0.5000000 0.3708667 0.2115775), wk = 0.0019231 k( 511) = ( 0.5000000 0.3708667 0.2207766), wk = 0.0019231 k( 512) = ( 0.5000000 0.3708667 0.2299756), wk = 0.0019231 k( 513) = ( 0.5000000 0.3708667 0.2391746), wk = 0.0019231 k( 514) = ( 0.5000000 0.3708667 0.2483736), wk = 0.0019231 k( 515) = ( 0.5000000 0.3708667 0.2575726), wk = 0.0019231 k( 516) = ( 0.5000000 0.3708667 0.2667717), wk = 0.0019231 k( 517) = ( 0.5000000 0.3708667 0.2759707), wk = 0.0019231 k( 518) = ( 0.5000000 0.3708667 0.2851697), wk = 0.0019231 k( 519) = ( 0.5000000 0.3708667 0.2943687), wk = 0.0019231 k( 520) = ( 0.5000000 0.3708667 0.3035678), wk = 0.0019231 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019231 k( 2) = ( 0.0092593 0.0000000 -0.0000000), wk = 0.0019231 k( 3) = ( 0.0185185 0.0000000 -0.0000000), wk = 0.0019231 k( 4) = ( 0.0277778 0.0000000 -0.0000000), wk = 0.0019231 k( 5) = ( 0.0370370 0.0000000 -0.0000000), wk = 0.0019231 k( 6) = ( 0.0462963 0.0000000 0.0000000), wk = 0.0019231 k( 7) = ( 0.0555556 0.0000000 -0.0000000), wk = 0.0019231 k( 8) = ( 0.0648148 0.0000000 0.0000000), wk = 0.0019231 k( 9) = ( 0.0740741 0.0000000 0.0000000), wk = 0.0019231 k( 10) = ( 0.0833333 0.0000000 0.0000000), wk = 0.0019231 k( 11) = ( 0.0925926 0.0000000 -0.0000000), wk = 0.0019231 k( 12) = ( 0.1018518 0.0000000 -0.0000000), wk = 0.0019231 k( 13) = ( 0.1111111 0.0000000 0.0000000), wk = 0.0019231 k( 14) = ( 0.1203704 0.0000000 -0.0000000), wk = 0.0019231 k( 15) = ( 0.1296296 0.0000000 0.0000000), wk = 0.0019231 k( 16) = ( 0.1388889 0.0000000 -0.0000000), wk = 0.0019231 k( 17) = ( 0.1481482 -0.0000000 -0.0000000), wk = 0.0019231 k( 18) = ( 0.1574074 0.0000000 -0.0000000), wk = 0.0019231 k( 19) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0019231 k( 20) = ( 0.1759259 0.0000000 -0.0000000), wk = 0.0019231 k( 21) = ( 0.1851852 0.0000000 -0.0000000), wk = 0.0019231 k( 22) = ( 0.1944444 -0.0000000 -0.0000000), wk = 0.0019231 k( 23) = ( 0.2037037 0.0000000 -0.0000000), wk = 0.0019231 k( 24) = ( 0.2129630 0.0000000 -0.0000000), wk = 0.0019231 k( 25) = ( 0.2222222 0.0000000 0.0000000), wk = 0.0019231 k( 26) = ( 0.2314815 -0.0000000 0.0000000), wk = 0.0019231 k( 27) = ( 0.2407407 0.0000000 -0.0000000), wk = 0.0019231 k( 28) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0019231 k( 29) = ( 0.2592593 0.0000000 0.0000000), wk = 0.0019231 k( 30) = ( 0.2685185 0.0000000 0.0000000), wk = 0.0019231 k( 31) = ( 0.2777778 0.0000000 -0.0000000), wk = 0.0019231 k( 32) = ( 0.2870370 0.0000000 -0.0000000), wk = 0.0019231 k( 33) = ( 0.2962963 -0.0000000 -0.0000000), wk = 0.0019231 k( 34) = ( 0.3055556 -0.0000000 -0.0000000), wk = 0.0019231 k( 35) = ( 0.3148148 0.0000000 -0.0000000), wk = 0.0019231 k( 36) = ( 0.3240741 0.0000000 0.0000000), wk = 0.0019231 k( 37) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0019231 k( 38) = ( 0.3425926 0.0000000 0.0000000), wk = 0.0019231 k( 39) = ( 0.3518519 0.0000000 0.0000000), wk = 0.0019231 k( 40) = ( 0.3611111 0.0000000 -0.0000000), wk = 0.0019231 k( 41) = ( 0.3703704 0.0000000 0.0000000), wk = 0.0019231 k( 42) = ( 0.3796296 0.0000000 0.0000000), wk = 0.0019231 k( 43) = ( 0.3888889 0.0000000 0.0000000), wk = 0.0019231 k( 44) = ( 0.3981481 0.0000000 0.0000000), wk = 0.0019231 k( 45) = ( 0.4074074 0.0000000 -0.0000000), wk = 0.0019231 k( 46) = ( 0.4166667 0.0000000 0.0000000), wk = 0.0019231 k( 47) = ( 0.4259259 0.0000000 0.0000000), wk = 0.0019231 k( 48) = ( 0.4351852 0.0000000 0.0000000), wk = 0.0019231 k( 49) = ( 0.4444444 0.0000000 0.0000000), wk = 0.0019231 k( 50) = ( 0.4537037 0.0000000 -0.0000000), wk = 0.0019231 k( 51) = ( 0.4629630 -0.0000000 0.0000000), wk = 0.0019231 k( 52) = ( 0.4722222 -0.0000000 -0.0000000), wk = 0.0019231 k( 53) = ( 0.4814815 0.0000000 -0.0000000), wk = 0.0019231 k( 54) = ( 0.4907407 0.0000000 0.0000000), wk = 0.0019231 k( 55) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0019231 k( 56) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0019231 k( 57) = ( 0.5000000 0.0125000 0.0000000), wk = 0.0019231 k( 58) = ( 0.5000000 0.0250000 0.0000000), wk = 0.0019231 k( 59) = ( 0.5000000 0.0375000 -0.0000000), wk = 0.0019231 k( 60) = ( 0.5000000 0.0500000 0.0000000), wk = 0.0019231 k( 61) = ( 0.5000000 0.0625000 -0.0000000), wk = 0.0019231 k( 62) = ( 0.5000000 0.0750000 0.0000000), wk = 0.0019231 k( 63) = ( 0.5000000 0.0875000 0.0000000), wk = 0.0019231 k( 64) = ( 0.5000000 0.1000000 0.0000000), wk = 0.0019231 k( 65) = ( 0.5000000 0.1125000 0.0000000), wk = 0.0019231 k( 66) = ( 0.5000000 0.1250000 -0.0000000), wk = 0.0019231 k( 67) = ( 0.5000000 0.1375000 0.0000000), wk = 0.0019231 k( 68) = ( 0.5000000 0.1500000 0.0000000), wk = 0.0019231 k( 69) = ( 0.5000000 0.1625000 0.0000000), wk = 0.0019231 k( 70) = ( 0.5000000 0.1750000 0.0000000), wk = 0.0019231 k( 71) = ( 0.5000000 0.1875000 0.0000000), wk = 0.0019231 k( 72) = ( 0.5000000 0.2000000 -0.0000000), wk = 0.0019231 k( 73) = ( 0.5000000 0.2125000 0.0000000), wk = 0.0019231 k( 74) = ( 0.5000000 0.2250000 0.0000000), wk = 0.0019231 k( 75) = ( 0.5000000 0.2375000 -0.0000000), wk = 0.0019231 k( 76) = ( 0.5000000 0.2500000 -0.0000000), wk = 0.0019231 k( 77) = ( 0.5000000 0.2625000 -0.0000000), wk = 0.0019231 k( 78) = ( 0.5000000 0.2750000 -0.0000000), wk = 0.0019231 k( 79) = ( 0.5000000 0.2875000 -0.0000000), wk = 0.0019231 k( 80) = ( 0.5000000 0.3000000 -0.0000000), wk = 0.0019231 k( 81) = ( 0.5000000 0.3125000 -0.0000000), wk = 0.0019231 k( 82) = ( 0.5000000 0.3250000 -0.0000000), wk = 0.0019231 k( 83) = ( 0.5000000 0.3375000 0.0000000), wk = 0.0019231 k( 84) = ( 0.5000000 0.3500000 0.0000000), wk = 0.0019231 k( 85) = ( 0.5000000 0.3625000 0.0000000), wk = 0.0019231 k( 86) = ( 0.5000000 0.3750000 0.0000000), wk = 0.0019231 k( 87) = ( 0.5000000 0.3875000 0.0000000), wk = 0.0019231 k( 88) = ( 0.5000000 0.4000000 -0.0000000), wk = 0.0019231 k( 89) = ( 0.5000000 0.4125000 -0.0000000), wk = 0.0019231 k( 90) = ( 0.5000000 0.4250000 0.0000000), wk = 0.0019231 k( 91) = ( 0.5000000 0.4375000 -0.0000000), wk = 0.0019231 k( 92) = ( 0.5000000 0.4500000 -0.0000000), wk = 0.0019231 k( 93) = ( 0.5000000 0.4625000 -0.0000000), wk = 0.0019231 k( 94) = ( 0.5000000 0.4750000 0.0000000), wk = 0.0019231 k( 95) = ( 0.5000000 0.4875000 0.0000000), wk = 0.0019231 k( 96) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0019231 k( 97) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0019231 k( 98) = ( 0.4907407 0.5000000 0.0000000), wk = 0.0019231 k( 99) = ( 0.4814815 0.5000000 0.0000000), wk = 0.0019231 k( 100) = ( 0.4722222 0.5000000 0.0000000), wk = 0.0019231 k( 101) = ( 0.4629630 0.5000000 0.0000000), wk = 0.0019231 k( 102) = ( 0.4537037 0.5000000 0.0000000), wk = 0.0019231 k( 103) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0019231 k( 104) = ( 0.4351852 0.5000000 -0.0000000), wk = 0.0019231 k( 105) = ( 0.4259259 0.5000000 0.0000000), wk = 0.0019231 k( 106) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0019231 k( 107) = ( 0.4074074 0.5000000 0.0000000), wk = 0.0019231 k( 108) = ( 0.3981481 0.5000000 0.0000000), wk = 0.0019231 k( 109) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0019231 k( 110) = ( 0.3796296 0.5000000 -0.0000000), wk = 0.0019231 k( 111) = ( 0.3703704 0.5000000 -0.0000000), wk = 0.0019231 k( 112) = ( 0.3611111 0.5000000 -0.0000000), wk = 0.0019231 k( 113) = ( 0.3518519 0.5000000 0.0000000), wk = 0.0019231 k( 114) = ( 0.3425926 0.5000000 -0.0000000), wk = 0.0019231 k( 115) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0019231 k( 116) = ( 0.3240741 0.5000000 0.0000000), wk = 0.0019231 k( 117) = ( 0.3148148 0.5000000 0.0000000), wk = 0.0019231 k( 118) = ( 0.3055556 0.5000000 0.0000000), wk = 0.0019231 k( 119) = ( 0.2962963 0.5000000 0.0000000), wk = 0.0019231 k( 120) = ( 0.2870370 0.5000000 0.0000000), wk = 0.0019231 k( 121) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0019231 k( 122) = ( 0.2685185 0.5000000 0.0000000), wk = 0.0019231 k( 123) = ( 0.2592593 0.5000000 0.0000000), wk = 0.0019231 k( 124) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0019231 k( 125) = ( 0.2407407 0.5000000 0.0000000), wk = 0.0019231 k( 126) = ( 0.2314815 0.5000000 0.0000000), wk = 0.0019231 k( 127) = ( 0.2222222 0.5000000 0.0000000), wk = 0.0019231 k( 128) = ( 0.2129630 0.5000000 0.0000000), wk = 0.0019231 k( 129) = ( 0.2037037 0.5000000 0.0000000), wk = 0.0019231 k( 130) = ( 0.1944444 0.5000000 0.0000000), wk = 0.0019231 k( 131) = ( 0.1851852 0.5000000 0.0000000), wk = 0.0019231 k( 132) = ( 0.1759259 0.5000000 0.0000000), wk = 0.0019231 k( 133) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0019231 k( 134) = ( 0.1574074 0.5000000 0.0000000), wk = 0.0019231 k( 135) = ( 0.1481482 0.5000000 0.0000000), wk = 0.0019231 k( 136) = ( 0.1388889 0.5000000 0.0000000), wk = 0.0019231 k( 137) = ( 0.1296296 0.5000000 0.0000000), wk = 0.0019231 k( 138) = ( 0.1203704 0.5000000 0.0000000), wk = 0.0019231 k( 139) = ( 0.1111111 0.5000000 0.0000000), wk = 0.0019231 k( 140) = ( 0.1018518 0.5000000 0.0000000), wk = 0.0019231 k( 141) = ( 0.0925926 0.5000000 0.0000000), wk = 0.0019231 k( 142) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0019231 k( 143) = ( 0.0740741 0.5000000 0.0000000), wk = 0.0019231 k( 144) = ( 0.0648148 0.5000000 0.0000000), wk = 0.0019231 k( 145) = ( 0.0555556 0.5000000 0.0000000), wk = 0.0019231 k( 146) = ( 0.0462963 0.5000000 0.0000000), wk = 0.0019231 k( 147) = ( 0.0370370 0.5000000 0.0000000), wk = 0.0019231 k( 148) = ( 0.0277778 0.5000000 -0.0000000), wk = 0.0019231 k( 149) = ( 0.0185185 0.5000000 0.0000000), wk = 0.0019231 k( 150) = ( 0.0092593 0.5000000 0.0000000), wk = 0.0019231 k( 151) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0019231 k( 152) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0019231 k( 153) = ( 0.0000000 0.4875000 -0.0000000), wk = 0.0019231 k( 154) = ( 0.0000000 0.4750000 0.0000000), wk = 0.0019231 k( 155) = ( 0.0000000 0.4625000 -0.0000000), wk = 0.0019231 k( 156) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0019231 k( 157) = ( 0.0000000 0.4375000 0.0000000), wk = 0.0019231 k( 158) = ( 0.0000000 0.4250000 0.0000000), wk = 0.0019231 k( 159) = ( 0.0000000 0.4125000 -0.0000000), wk = 0.0019231 k( 160) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0019231 k( 161) = ( 0.0000000 0.3875000 0.0000000), wk = 0.0019231 k( 162) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0019231 k( 163) = ( 0.0000000 0.3625000 0.0000000), wk = 0.0019231 k( 164) = ( 0.0000000 0.3500000 0.0000000), wk = 0.0019231 k( 165) = ( 0.0000000 0.3375000 0.0000000), wk = 0.0019231 k( 166) = ( 0.0000000 0.3250000 0.0000000), wk = 0.0019231 k( 167) = ( 0.0000000 0.3125000 0.0000000), wk = 0.0019231 k( 168) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0019231 k( 169) = ( 0.0000000 0.2875000 0.0000000), wk = 0.0019231 k( 170) = ( 0.0000000 0.2750000 0.0000000), wk = 0.0019231 k( 171) = ( 0.0000000 0.2625000 0.0000000), wk = 0.0019231 k( 172) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0019231 k( 173) = ( 0.0000000 0.2375000 0.0000000), wk = 0.0019231 k( 174) = ( 0.0000000 0.2250000 0.0000000), wk = 0.0019231 k( 175) = ( 0.0000000 0.2125000 0.0000000), wk = 0.0019231 k( 176) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0019231 k( 177) = ( 0.0000000 0.1875000 0.0000000), wk = 0.0019231 k( 178) = ( 0.0000000 0.1750000 0.0000000), wk = 0.0019231 k( 179) = ( 0.0000000 0.1625000 0.0000000), wk = 0.0019231 k( 180) = ( 0.0000000 0.1500000 0.0000000), wk = 0.0019231 k( 181) = ( 0.0000000 0.1375000 0.0000000), wk = 0.0019231 k( 182) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0019231 k( 183) = ( 0.0000000 0.1125000 0.0000000), wk = 0.0019231 k( 184) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0019231 k( 185) = ( 0.0000000 0.0875000 0.0000000), wk = 0.0019231 k( 186) = ( 0.0000000 0.0750000 0.0000000), wk = 0.0019231 k( 187) = ( 0.0000000 0.0625000 0.0000000), wk = 0.0019231 k( 188) = ( 0.0000000 0.0500000 0.0000000), wk = 0.0019231 k( 189) = ( 0.0000000 0.0375000 0.0000000), wk = 0.0019231 k( 190) = ( 0.0000000 0.0250000 0.0000000), wk = 0.0019231 k( 191) = ( 0.0000000 0.0125000 0.0000000), wk = 0.0019231 k( 192) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019231 k( 193) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019231 k( 194) = ( 0.0000000 0.0000000 0.0151515), wk = 0.0019231 k( 195) = ( 0.0000000 0.0000000 0.0303030), wk = 0.0019231 k( 196) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0019231 k( 197) = ( 0.0000000 0.0000000 0.0606061), wk = 0.0019231 k( 198) = ( 0.0000000 0.0000000 0.0757576), wk = 0.0019231 k( 199) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0019231 k( 200) = ( 0.0000000 0.0000000 0.1060606), wk = 0.0019231 k( 201) = ( 0.0000000 0.0000000 0.1212121), wk = 0.0019231 k( 202) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0019231 k( 203) = ( 0.0000000 0.0000000 0.1515151), wk = 0.0019231 k( 204) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0019231 k( 205) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0019231 k( 206) = ( 0.0000000 0.0000000 0.1969697), wk = 0.0019231 k( 207) = ( 0.0000000 0.0000000 0.2121212), wk = 0.0019231 k( 208) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0019231 k( 209) = ( 0.0000000 0.0000000 0.2424242), wk = 0.0019231 k( 210) = ( 0.0000000 0.0000000 0.2575758), wk = 0.0019231 k( 211) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0019231 k( 212) = ( 0.0000000 0.0000000 0.2878788), wk = 0.0019231 k( 213) = ( 0.0000000 0.0000000 0.3030303), wk = 0.0019231 k( 214) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0019231 k( 215) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0019231 k( 216) = ( 0.0000000 0.0000000 0.3484849), wk = 0.0019231 k( 217) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0019231 k( 218) = ( 0.0000000 0.0000000 0.3787879), wk = 0.0019231 k( 219) = ( 0.0000000 0.0000000 0.3939394), wk = 0.0019231 k( 220) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0019231 k( 221) = ( 0.0000000 0.0000000 0.4242424), wk = 0.0019231 k( 222) = ( 0.0000000 0.0000000 0.4393939), wk = 0.0019231 k( 223) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0019231 k( 224) = ( 0.0000000 0.0000000 0.4696970), wk = 0.0019231 k( 225) = ( 0.0000000 0.0000000 0.4848485), wk = 0.0019231 k( 226) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019231 k( 227) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019231 k( 228) = ( 0.0092593 0.0000000 0.5000000), wk = 0.0019231 k( 229) = ( 0.0185185 0.0000000 0.5000000), wk = 0.0019231 k( 230) = ( 0.0277778 0.0000000 0.5000000), wk = 0.0019231 k( 231) = ( 0.0370370 0.0000000 0.5000000), wk = 0.0019231 k( 232) = ( 0.0462963 0.0000000 0.5000000), wk = 0.0019231 k( 233) = ( 0.0555556 0.0000000 0.5000000), wk = 0.0019231 k( 234) = ( 0.0648148 0.0000000 0.5000000), wk = 0.0019231 k( 235) = ( 0.0740741 0.0000000 0.5000000), wk = 0.0019231 k( 236) = ( 0.0833333 0.0000000 0.5000000), wk = 0.0019231 k( 237) = ( 0.0925926 0.0000000 0.5000000), wk = 0.0019231 k( 238) = ( 0.1018518 0.0000000 0.5000000), wk = 0.0019231 k( 239) = ( 0.1111111 0.0000000 0.5000000), wk = 0.0019231 k( 240) = ( 0.1203704 0.0000000 0.5000000), wk = 0.0019231 k( 241) = ( 0.1296296 0.0000000 0.5000000), wk = 0.0019231 k( 242) = ( 0.1388889 0.0000000 0.5000000), wk = 0.0019231 k( 243) = ( 0.1481482 -0.0000000 0.5000000), wk = 0.0019231 k( 244) = ( 0.1574074 0.0000000 0.5000000), wk = 0.0019231 k( 245) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0019231 k( 246) = ( 0.1759259 0.0000000 0.5000000), wk = 0.0019231 k( 247) = ( 0.1851852 0.0000000 0.5000000), wk = 0.0019231 k( 248) = ( 0.1944444 -0.0000000 0.5000000), wk = 0.0019231 k( 249) = ( 0.2037037 0.0000000 0.5000000), wk = 0.0019231 k( 250) = ( 0.2129630 0.0000000 0.5000000), wk = 0.0019231 k( 251) = ( 0.2222222 0.0000000 0.5000000), wk = 0.0019231 k( 252) = ( 0.2314815 -0.0000000 0.5000000), wk = 0.0019231 k( 253) = ( 0.2407407 0.0000000 0.5000000), wk = 0.0019231 k( 254) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0019231 k( 255) = ( 0.2592593 0.0000000 0.5000000), wk = 0.0019231 k( 256) = ( 0.2685185 0.0000000 0.5000000), wk = 0.0019231 k( 257) = ( 0.2777778 0.0000000 0.5000000), wk = 0.0019231 k( 258) = ( 0.2870370 0.0000000 0.5000000), wk = 0.0019231 k( 259) = ( 0.2962963 -0.0000000 0.5000000), wk = 0.0019231 k( 260) = ( 0.3055556 -0.0000000 0.5000000), wk = 0.0019231 k( 261) = ( 0.3148148 0.0000000 0.5000000), wk = 0.0019231 k( 262) = ( 0.3240741 0.0000000 0.5000000), wk = 0.0019231 k( 263) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0019231 k( 264) = ( 0.3425926 0.0000000 0.5000000), wk = 0.0019231 k( 265) = ( 0.3518519 0.0000000 0.5000000), wk = 0.0019231 k( 266) = ( 0.3611111 0.0000000 0.5000000), wk = 0.0019231 k( 267) = ( 0.3703704 0.0000000 0.5000000), wk = 0.0019231 k( 268) = ( 0.3796296 0.0000000 0.5000000), wk = 0.0019231 k( 269) = ( 0.3888889 0.0000000 0.5000000), wk = 0.0019231 k( 270) = ( 0.3981481 0.0000000 0.5000000), wk = 0.0019231 k( 271) = ( 0.4074074 0.0000000 0.5000000), wk = 0.0019231 k( 272) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0019231 k( 273) = ( 0.4259259 0.0000000 0.5000000), wk = 0.0019231 k( 274) = ( 0.4351852 0.0000000 0.5000000), wk = 0.0019231 k( 275) = ( 0.4444444 0.0000000 0.5000000), wk = 0.0019231 k( 276) = ( 0.4537037 0.0000000 0.5000000), wk = 0.0019231 k( 277) = ( 0.4629630 -0.0000000 0.5000000), wk = 0.0019231 k( 278) = ( 0.4722222 -0.0000000 0.5000000), wk = 0.0019231 k( 279) = ( 0.4814815 0.0000000 0.5000000), wk = 0.0019231 k( 280) = ( 0.4907407 0.0000000 0.5000000), wk = 0.0019231 k( 281) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0019231 k( 282) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0019231 k( 283) = ( 0.5000000 0.0125000 0.5000000), wk = 0.0019231 k( 284) = ( 0.5000000 0.0250000 0.5000000), wk = 0.0019231 k( 285) = ( 0.5000000 0.0375000 0.5000000), wk = 0.0019231 k( 286) = ( 0.5000000 0.0500000 0.5000000), wk = 0.0019231 k( 287) = ( 0.5000000 0.0625000 0.5000000), wk = 0.0019231 k( 288) = ( 0.5000000 0.0750000 0.5000000), wk = 0.0019231 k( 289) = ( 0.5000000 0.0875000 0.5000000), wk = 0.0019231 k( 290) = ( 0.5000000 0.1000000 0.5000000), wk = 0.0019231 k( 291) = ( 0.5000000 0.1125000 0.5000000), wk = 0.0019231 k( 292) = ( 0.5000000 0.1250000 0.5000000), wk = 0.0019231 k( 293) = ( 0.5000000 0.1375000 0.5000000), wk = 0.0019231 k( 294) = ( 0.5000000 0.1500000 0.5000000), wk = 0.0019231 k( 295) = ( 0.5000000 0.1625000 0.5000000), wk = 0.0019231 k( 296) = ( 0.5000000 0.1750000 0.5000000), wk = 0.0019231 k( 297) = ( 0.5000000 0.1875000 0.5000000), wk = 0.0019231 k( 298) = ( 0.5000000 0.2000000 0.5000000), wk = 0.0019231 k( 299) = ( 0.5000000 0.2125000 0.5000000), wk = 0.0019231 k( 300) = ( 0.5000000 0.2250000 0.5000000), wk = 0.0019231 k( 301) = ( 0.5000000 0.2375000 0.5000000), wk = 0.0019231 k( 302) = ( 0.5000000 0.2500000 0.5000000), wk = 0.0019231 k( 303) = ( 0.5000000 0.2625000 0.5000000), wk = 0.0019231 k( 304) = ( 0.5000000 0.2750000 0.5000000), wk = 0.0019231 k( 305) = ( 0.5000000 0.2875000 0.5000000), wk = 0.0019231 k( 306) = ( 0.5000000 0.3000000 0.5000000), wk = 0.0019231 k( 307) = ( 0.5000000 0.3125000 0.5000000), wk = 0.0019231 k( 308) = ( 0.5000000 0.3250000 0.5000000), wk = 0.0019231 k( 309) = ( 0.5000000 0.3375000 0.5000000), wk = 0.0019231 k( 310) = ( 0.5000000 0.3500000 0.5000000), wk = 0.0019231 k( 311) = ( 0.5000000 0.3625000 0.5000000), wk = 0.0019231 k( 312) = ( 0.5000000 0.3750000 0.5000000), wk = 0.0019231 k( 313) = ( 0.5000000 0.3875000 0.5000000), wk = 0.0019231 k( 314) = ( 0.5000000 0.4000000 0.5000000), wk = 0.0019231 k( 315) = ( 0.5000000 0.4125000 0.5000000), wk = 0.0019231 k( 316) = ( 0.5000000 0.4250000 0.5000000), wk = 0.0019231 k( 317) = ( 0.5000000 0.4375000 0.5000000), wk = 0.0019231 k( 318) = ( 0.5000000 0.4500000 0.5000000), wk = 0.0019231 k( 319) = ( 0.5000000 0.4625000 0.5000000), wk = 0.0019231 k( 320) = ( 0.5000000 0.4750000 0.5000000), wk = 0.0019231 k( 321) = ( 0.5000000 0.4875000 0.5000000), wk = 0.0019231 k( 322) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0019231 k( 323) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0019231 k( 324) = ( 0.4907407 0.5000000 0.5000000), wk = 0.0019231 k( 325) = ( 0.4814815 0.5000000 0.5000000), wk = 0.0019231 k( 326) = ( 0.4722222 0.5000000 0.5000000), wk = 0.0019231 k( 327) = ( 0.4629630 0.5000000 0.5000000), wk = 0.0019231 k( 328) = ( 0.4537037 0.5000000 0.5000000), wk = 0.0019231 k( 329) = ( 0.4444444 0.5000000 0.5000000), wk = 0.0019231 k( 330) = ( 0.4351852 0.5000000 0.5000000), wk = 0.0019231 k( 331) = ( 0.4259259 0.5000000 0.5000000), wk = 0.0019231 k( 332) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0019231 k( 333) = ( 0.4074074 0.5000000 0.5000000), wk = 0.0019231 k( 334) = ( 0.3981481 0.5000000 0.5000000), wk = 0.0019231 k( 335) = ( 0.3888889 0.5000000 0.5000000), wk = 0.0019231 k( 336) = ( 0.3796296 0.5000000 0.5000000), wk = 0.0019231 k( 337) = ( 0.3703704 0.5000000 0.5000000), wk = 0.0019231 k( 338) = ( 0.3611111 0.5000000 0.5000000), wk = 0.0019231 k( 339) = ( 0.3518519 0.5000000 0.5000000), wk = 0.0019231 k( 340) = ( 0.3425926 0.5000000 0.5000000), wk = 0.0019231 k( 341) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0019231 k( 342) = ( 0.3240741 0.5000000 0.5000000), wk = 0.0019231 k( 343) = ( 0.3148148 0.5000000 0.5000000), wk = 0.0019231 k( 344) = ( 0.3055556 0.5000000 0.5000000), wk = 0.0019231 k( 345) = ( 0.2962963 0.5000000 0.5000000), wk = 0.0019231 k( 346) = ( 0.2870370 0.5000000 0.5000000), wk = 0.0019231 k( 347) = ( 0.2777778 0.5000000 0.5000000), wk = 0.0019231 k( 348) = ( 0.2685185 0.5000000 0.5000000), wk = 0.0019231 k( 349) = ( 0.2592593 0.5000000 0.5000000), wk = 0.0019231 k( 350) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0019231 k( 351) = ( 0.2407407 0.5000000 0.5000000), wk = 0.0019231 k( 352) = ( 0.2314815 0.5000000 0.5000000), wk = 0.0019231 k( 353) = ( 0.2222222 0.5000000 0.5000000), wk = 0.0019231 k( 354) = ( 0.2129630 0.5000000 0.5000000), wk = 0.0019231 k( 355) = ( 0.2037037 0.5000000 0.5000000), wk = 0.0019231 k( 356) = ( 0.1944444 0.5000000 0.5000000), wk = 0.0019231 k( 357) = ( 0.1851852 0.5000000 0.5000000), wk = 0.0019231 k( 358) = ( 0.1759259 0.5000000 0.5000000), wk = 0.0019231 k( 359) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0019231 k( 360) = ( 0.1574074 0.5000000 0.5000000), wk = 0.0019231 k( 361) = ( 0.1481482 0.5000000 0.5000000), wk = 0.0019231 k( 362) = ( 0.1388889 0.5000000 0.5000000), wk = 0.0019231 k( 363) = ( 0.1296296 0.5000000 0.5000000), wk = 0.0019231 k( 364) = ( 0.1203704 0.5000000 0.5000000), wk = 0.0019231 k( 365) = ( 0.1111111 0.5000000 0.5000000), wk = 0.0019231 k( 366) = ( 0.1018518 0.5000000 0.5000000), wk = 0.0019231 k( 367) = ( 0.0925926 0.5000000 0.5000000), wk = 0.0019231 k( 368) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0019231 k( 369) = ( 0.0740741 0.5000000 0.5000000), wk = 0.0019231 k( 370) = ( 0.0648148 0.5000000 0.5000000), wk = 0.0019231 k( 371) = ( 0.0555556 0.5000000 0.5000000), wk = 0.0019231 k( 372) = ( 0.0462963 0.5000000 0.5000000), wk = 0.0019231 k( 373) = ( 0.0370370 0.5000000 0.5000000), wk = 0.0019231 k( 374) = ( 0.0277778 0.5000000 0.5000000), wk = 0.0019231 k( 375) = ( 0.0185185 0.5000000 0.5000000), wk = 0.0019231 k( 376) = ( 0.0092593 0.5000000 0.5000000), wk = 0.0019231 k( 377) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0019231 k( 378) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0019231 k( 379) = ( 0.0000000 0.4875000 0.5000000), wk = 0.0019231 k( 380) = ( 0.0000000 0.4750000 0.5000000), wk = 0.0019231 k( 381) = ( 0.0000000 0.4625000 0.5000000), wk = 0.0019231 k( 382) = ( 0.0000000 0.4500000 0.5000000), wk = 0.0019231 k( 383) = ( 0.0000000 0.4375000 0.5000000), wk = 0.0019231 k( 384) = ( 0.0000000 0.4250000 0.5000000), wk = 0.0019231 k( 385) = ( 0.0000000 0.4125000 0.5000000), wk = 0.0019231 k( 386) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0019231 k( 387) = ( 0.0000000 0.3875000 0.5000000), wk = 0.0019231 k( 388) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0019231 k( 389) = ( 0.0000000 0.3625000 0.5000000), wk = 0.0019231 k( 390) = ( 0.0000000 0.3500000 0.5000000), wk = 0.0019231 k( 391) = ( 0.0000000 0.3375000 0.5000000), wk = 0.0019231 k( 392) = ( 0.0000000 0.3250000 0.5000000), wk = 0.0019231 k( 393) = ( 0.0000000 0.3125000 0.5000000), wk = 0.0019231 k( 394) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0019231 k( 395) = ( 0.0000000 0.2875000 0.5000000), wk = 0.0019231 k( 396) = ( 0.0000000 0.2750000 0.5000000), wk = 0.0019231 k( 397) = ( 0.0000000 0.2625000 0.5000000), wk = 0.0019231 k( 398) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0019231 k( 399) = ( 0.0000000 0.2375000 0.5000000), wk = 0.0019231 k( 400) = ( 0.0000000 0.2250000 0.5000000), wk = 0.0019231 k( 401) = ( 0.0000000 0.2125000 0.5000000), wk = 0.0019231 k( 402) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0019231 k( 403) = ( 0.0000000 0.1875000 0.5000000), wk = 0.0019231 k( 404) = ( 0.0000000 0.1750000 0.5000000), wk = 0.0019231 k( 405) = ( 0.0000000 0.1625000 0.5000000), wk = 0.0019231 k( 406) = ( 0.0000000 0.1500000 0.5000000), wk = 0.0019231 k( 407) = ( 0.0000000 0.1375000 0.5000000), wk = 0.0019231 k( 408) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0019231 k( 409) = ( 0.0000000 0.1125000 0.5000000), wk = 0.0019231 k( 410) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0019231 k( 411) = ( 0.0000000 0.0875000 0.5000000), wk = 0.0019231 k( 412) = ( 0.0000000 0.0750000 0.5000000), wk = 0.0019231 k( 413) = ( 0.0000000 0.0625000 0.5000000), wk = 0.0019231 k( 414) = ( 0.0000000 0.0500000 0.5000000), wk = 0.0019231 k( 415) = ( 0.0000000 0.0375000 0.5000000), wk = 0.0019231 k( 416) = ( 0.0000000 0.0250000 0.5000000), wk = 0.0019231 k( 417) = ( 0.0000000 0.0125000 0.5000000), wk = 0.0019231 k( 418) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019231 k( 419) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0019231 k( 420) = ( 0.0000000 0.5000000 0.0151515), wk = 0.0019231 k( 421) = ( 0.0000000 0.5000000 0.0303030), wk = 0.0019231 k( 422) = ( 0.0000000 0.5000000 0.0454545), wk = 0.0019231 k( 423) = ( 0.0000000 0.5000000 0.0606061), wk = 0.0019231 k( 424) = ( 0.0000000 0.5000000 0.0757576), wk = 0.0019231 k( 425) = ( 0.0000000 0.5000000 0.0909091), wk = 0.0019231 k( 426) = ( 0.0000000 0.5000000 0.1060606), wk = 0.0019231 k( 427) = ( 0.0000000 0.5000000 0.1212121), wk = 0.0019231 k( 428) = ( 0.0000000 0.5000000 0.1363636), wk = 0.0019231 k( 429) = ( 0.0000000 0.5000000 0.1515151), wk = 0.0019231 k( 430) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0019231 k( 431) = ( 0.0000000 0.5000000 0.1818182), wk = 0.0019231 k( 432) = ( 0.0000000 0.5000000 0.1969697), wk = 0.0019231 k( 433) = ( 0.0000000 0.5000000 0.2121212), wk = 0.0019231 k( 434) = ( 0.0000000 0.5000000 0.2272727), wk = 0.0019231 k( 435) = ( 0.0000000 0.5000000 0.2424242), wk = 0.0019231 k( 436) = ( 0.0000000 0.5000000 0.2575758), wk = 0.0019231 k( 437) = ( 0.0000000 0.5000000 0.2727273), wk = 0.0019231 k( 438) = ( 0.0000000 0.5000000 0.2878788), wk = 0.0019231 k( 439) = ( 0.0000000 0.5000000 0.3030303), wk = 0.0019231 k( 440) = ( 0.0000000 0.5000000 0.3181818), wk = 0.0019231 k( 441) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0019231 k( 442) = ( 0.0000000 0.5000000 0.3484848), wk = 0.0019231 k( 443) = ( 0.0000000 0.5000000 0.3636364), wk = 0.0019231 k( 444) = ( 0.0000000 0.5000000 0.3787879), wk = 0.0019231 k( 445) = ( 0.0000000 0.5000000 0.3939394), wk = 0.0019231 k( 446) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0019231 k( 447) = ( 0.0000000 0.5000000 0.4242424), wk = 0.0019231 k( 448) = ( 0.0000000 0.5000000 0.4393939), wk = 0.0019231 k( 449) = ( 0.0000000 0.5000000 0.4545454), wk = 0.0019231 k( 450) = ( 0.0000000 0.5000000 0.4696970), wk = 0.0019231 k( 451) = ( 0.0000000 0.5000000 0.4848485), wk = 0.0019231 k( 452) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0019231 k( 453) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0019231 k( 454) = ( 0.5000000 0.0000000 0.4848485), wk = 0.0019231 k( 455) = ( 0.5000000 0.0000000 0.4696970), wk = 0.0019231 k( 456) = ( 0.5000000 0.0000000 0.4545455), wk = 0.0019231 k( 457) = ( 0.5000000 0.0000000 0.4393939), wk = 0.0019231 k( 458) = ( 0.5000000 0.0000000 0.4242424), wk = 0.0019231 k( 459) = ( 0.5000000 0.0000000 0.4090909), wk = 0.0019231 k( 460) = ( 0.5000000 0.0000000 0.3939394), wk = 0.0019231 k( 461) = ( 0.5000000 0.0000000 0.3787879), wk = 0.0019231 k( 462) = ( 0.5000000 0.0000000 0.3636364), wk = 0.0019231 k( 463) = ( 0.5000000 0.0000000 0.3484849), wk = 0.0019231 k( 464) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0019231 k( 465) = ( 0.5000000 0.0000000 0.3181818), wk = 0.0019231 k( 466) = ( 0.5000000 0.0000000 0.3030303), wk = 0.0019231 k( 467) = ( 0.5000000 0.0000000 0.2878788), wk = 0.0019231 k( 468) = ( 0.5000000 0.0000000 0.2727273), wk = 0.0019231 k( 469) = ( 0.5000000 0.0000000 0.2575758), wk = 0.0019231 k( 470) = ( 0.5000000 0.0000000 0.2424242), wk = 0.0019231 k( 471) = ( 0.5000000 0.0000000 0.2272727), wk = 0.0019231 k( 472) = ( 0.5000000 0.0000000 0.2121212), wk = 0.0019231 k( 473) = ( 0.5000000 0.0000000 0.1969697), wk = 0.0019231 k( 474) = ( 0.5000000 0.0000000 0.1818182), wk = 0.0019231 k( 475) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0019231 k( 476) = ( 0.5000000 0.0000000 0.1515151), wk = 0.0019231 k( 477) = ( 0.5000000 0.0000000 0.1363636), wk = 0.0019231 k( 478) = ( 0.5000000 0.0000000 0.1212121), wk = 0.0019231 k( 479) = ( 0.5000000 0.0000000 0.1060606), wk = 0.0019231 k( 480) = ( 0.5000000 0.0000000 0.0909091), wk = 0.0019231 k( 481) = ( 0.5000000 0.0000000 0.0757576), wk = 0.0019231 k( 482) = ( 0.5000000 0.0000000 0.0606061), wk = 0.0019231 k( 483) = ( 0.5000000 0.0000000 0.0454546), wk = 0.0019231 k( 484) = ( 0.5000000 0.0000000 0.0303030), wk = 0.0019231 k( 485) = ( 0.5000000 0.0000000 0.0151515), wk = 0.0019231 k( 486) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0019231 k( 487) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0019231 k( 488) = ( 0.5000000 0.5000000 0.0151515), wk = 0.0019231 k( 489) = ( 0.5000000 0.5000000 0.0303030), wk = 0.0019231 k( 490) = ( 0.5000000 0.5000000 0.0454546), wk = 0.0019231 k( 491) = ( 0.5000000 0.5000000 0.0606061), wk = 0.0019231 k( 492) = ( 0.5000000 0.5000000 0.0757576), wk = 0.0019231 k( 493) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0019231 k( 494) = ( 0.5000000 0.5000000 0.1060606), wk = 0.0019231 k( 495) = ( 0.5000000 0.5000000 0.1212121), wk = 0.0019231 k( 496) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0019231 k( 497) = ( 0.5000000 0.5000000 0.1515151), wk = 0.0019231 k( 498) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0019231 k( 499) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0019231 k( 500) = ( 0.5000000 0.5000000 0.1969697), wk = 0.0019231 k( 501) = ( 0.5000000 0.5000000 0.2121212), wk = 0.0019231 k( 502) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0019231 k( 503) = ( 0.5000000 0.5000000 0.2424242), wk = 0.0019231 k( 504) = ( 0.5000000 0.5000000 0.2575758), wk = 0.0019231 k( 505) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0019231 k( 506) = ( 0.5000000 0.5000000 0.2878788), wk = 0.0019231 k( 507) = ( 0.5000000 0.5000000 0.3030303), wk = 0.0019231 k( 508) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0019231 k( 509) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0019231 k( 510) = ( 0.5000000 0.5000000 0.3484848), wk = 0.0019231 k( 511) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0019231 k( 512) = ( 0.5000000 0.5000000 0.3787879), wk = 0.0019231 k( 513) = ( 0.5000000 0.5000000 0.3939394), wk = 0.0019231 k( 514) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0019231 k( 515) = ( 0.5000000 0.5000000 0.4242424), wk = 0.0019231 k( 516) = ( 0.5000000 0.5000000 0.4393939), wk = 0.0019231 k( 517) = ( 0.5000000 0.5000000 0.4545454), wk = 0.0019231 k( 518) = ( 0.5000000 0.5000000 0.4696970), wk = 0.0019231 k( 519) = ( 0.5000000 0.5000000 0.4848485), wk = 0.0019231 k( 520) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0019231 Dense grid: 54907 G-vectors FFT dimensions: ( 40, 50, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.23 Mb ( 404, 38) NL pseudopotentials 0.26 Mb ( 202, 84) Each V/rho on FFT grid 0.06 Mb ( 4000) Each G-vector array 0.01 Mb ( 1524) G-vector shells 0.01 Mb ( 752) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.94 Mb ( 404, 152) Each subspace H/S matrix 0.02 Mb ( 38, 38) Each matrix 0.10 Mb ( 84, 2, 38) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./LiO2.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.3 secs Computing kpt #: 2 total cpu time spent up to now is 1.6 secs Computing kpt #: 3 total cpu time spent up to now is 1.9 secs Computing kpt #: 4 total cpu time spent up to now is 2.2 secs Computing kpt #: 5 total cpu time spent up to now is 2.5 secs Computing kpt #: 6 total cpu time spent up to now is 2.8 secs Computing kpt #: 7 total cpu time spent up to now is 3.1 secs Computing kpt #: 8 total cpu time spent up to now is 3.4 secs Computing kpt #: 9 total cpu time spent up to now is 3.7 secs Computing kpt #: 10 total cpu time spent up to now is 4.0 secs Computing kpt #: 11 total cpu time spent up to now is 4.3 secs Computing kpt #: 12 total cpu time spent up to now is 4.6 secs Computing kpt #: 13 total cpu time spent up to now is 4.9 secs Computing kpt #: 14 total cpu time spent up to now is 5.2 secs Computing kpt #: 15 total cpu time spent up to now is 5.5 secs Computing kpt #: 16 total cpu time spent up to now is 5.8 secs Computing kpt #: 17 total cpu time spent up to now is 6.0 secs Computing kpt #: 18 total cpu time spent up to now is 6.3 secs Computing kpt #: 19 total cpu time spent up to now is 6.7 secs Computing kpt #: 20 total cpu time spent up to now is 7.0 secs Computing kpt #: 21 total cpu time spent up to now is 7.2 secs Computing kpt #: 22 total cpu time spent up to now is 7.5 secs Computing kpt #: 23 total cpu time spent up to now is 7.8 secs Computing kpt #: 24 total cpu time spent up to now is 8.1 secs Computing kpt #: 25 total cpu time spent up to now is 8.4 secs Computing kpt #: 26 total cpu time spent up to now is 8.7 secs Computing kpt #: 27 total cpu time spent up to now is 9.0 secs Computing kpt #: 28 total cpu time spent up to now is 9.3 secs Computing kpt #: 29 total cpu time spent up to now is 9.6 secs Computing kpt #: 30 total cpu time spent up to now is 10.0 secs Computing kpt #: 31 total cpu time spent up to now is 10.3 secs Computing kpt #: 32 total cpu time spent up to now is 10.6 secs Computing kpt #: 33 total cpu time spent up to now is 10.9 secs Computing kpt #: 34 total cpu time spent up to now is 11.2 secs Computing kpt #: 35 total cpu time spent up to now is 11.5 secs Computing kpt #: 36 total cpu time spent up to now is 11.8 secs Computing kpt #: 37 total cpu time spent up to now is 12.1 secs Computing kpt #: 38 total cpu time spent up to now is 12.4 secs Computing kpt #: 39 total cpu time spent up to now is 12.7 secs Computing kpt #: 40 total cpu time spent up to now is 13.0 secs Computing kpt #: 41 total cpu time spent up to now is 13.3 secs Computing kpt #: 42 total cpu time spent up to now is 13.6 secs Computing kpt #: 43 total cpu time spent up to now is 13.9 secs Computing kpt #: 44 total cpu time spent up to now is 14.2 secs Computing kpt #: 45 total cpu time spent up to now is 14.6 secs Computing kpt #: 46 total cpu time spent up to now is 14.9 secs Computing kpt #: 47 total cpu time spent up to now is 15.2 secs Computing kpt #: 48 total cpu time spent up to now is 15.5 secs Computing kpt #: 49 total cpu time spent up to now is 15.9 secs Computing kpt #: 50 total cpu time spent up to now is 16.2 secs Computing kpt #: 51 total cpu time spent up to now is 16.5 secs Computing kpt #: 52 total cpu time spent up to now is 16.9 secs Computing kpt #: 53 total cpu time spent up to now is 17.3 secs Computing kpt #: 54 total cpu time spent up to now is 17.6 secs Computing kpt #: 55 total cpu time spent up to now is 17.9 secs Computing kpt #: 56 total cpu time spent up to now is 18.2 secs Computing kpt #: 57 total cpu time spent up to now is 18.5 secs Computing kpt #: 58 total cpu time spent up to now is 18.8 secs Computing kpt #: 59 total cpu time spent up to now is 19.2 secs Computing kpt #: 60 total cpu time spent up to now is 19.5 secs Computing kpt #: 61 total cpu time spent up to now is 19.8 secs Computing kpt #: 62 total cpu time spent up to now is 20.1 secs Computing kpt #: 63 total cpu time spent up to now is 20.4 secs Computing kpt #: 64 total cpu time spent up to now is 20.8 secs Computing kpt #: 65 total cpu time spent up to now is 21.1 secs Computing kpt #: 66 total cpu time spent up to now is 21.4 secs Computing kpt #: 67 total cpu time spent up to now is 21.7 secs Computing kpt #: 68 total cpu time spent up to now is 22.0 secs Computing kpt #: 69 total cpu time spent up to now is 22.4 secs Computing kpt #: 70 total cpu time spent up to now is 22.7 secs Computing kpt #: 71 total cpu time spent up to now is 23.0 secs Computing kpt #: 72 total cpu time spent up to now is 23.4 secs Computing kpt #: 73 total cpu time spent up to now is 23.7 secs Computing kpt #: 74 total cpu time spent up to now is 24.0 secs Computing kpt #: 75 total cpu time spent up to now is 24.3 secs Computing kpt #: 76 total cpu time spent up to now is 24.7 secs Computing kpt #: 77 total cpu time spent up to now is 25.0 secs Computing kpt #: 78 total cpu time spent up to now is 25.4 secs Computing kpt #: 79 total cpu time spent up to now is 25.7 secs Computing kpt #: 80 total cpu time spent up to now is 26.0 secs Computing kpt #: 81 total cpu time spent up to now is 26.4 secs Computing kpt #: 82 total cpu time spent up to now is 26.7 secs Computing kpt #: 83 total cpu time spent up to now is 27.1 secs Computing kpt #: 84 total cpu time spent up to now is 27.4 secs Computing kpt #: 85 total cpu time spent up to now is 27.8 secs Computing kpt #: 86 total cpu time spent up to now is 28.1 secs Computing kpt #: 87 total cpu time spent up to now is 28.5 secs Computing kpt #: 88 total cpu time spent up to now is 28.8 secs Computing kpt #: 89 total cpu time spent up to now is 29.2 secs Computing kpt #: 90 total cpu time spent up to now is 29.7 secs Computing kpt #: 91 total cpu time spent up to now is 30.1 secs Computing kpt #: 92 total cpu time spent up to now is 30.5 secs Computing kpt #: 93 total cpu time spent up to now is 30.9 secs Computing kpt #: 94 total cpu time spent up to now is 31.4 secs Computing kpt #: 95 total cpu time spent up to now is 31.8 secs Computing kpt #: 96 total cpu time spent up to now is 32.2 secs Computing kpt #: 97 total cpu time spent up to now is 32.6 secs Computing kpt #: 98 total cpu time spent up to now is 33.1 secs Computing kpt #: 99 total cpu time spent up to now is 33.6 secs Computing kpt #: 100 total cpu time spent up to now is 34.0 secs Computing kpt #: 101 total cpu time spent up to now is 34.4 secs Computing kpt #: 102 total cpu time spent up to now is 34.8 secs Computing kpt #: 103 total cpu time spent up to now is 35.3 secs Computing kpt #: 104 total cpu time spent up to now is 35.7 secs Computing kpt #: 105 total cpu time spent up to now is 36.2 secs Computing kpt #: 106 total cpu time spent up to now is 36.6 secs Computing kpt #: 107 total cpu time spent up to now is 37.1 secs Computing kpt #: 108 total cpu time spent up to now is 37.7 secs Computing kpt #: 109 total cpu time spent up to now is 38.3 secs Computing kpt #: 110 total cpu time spent up to now is 38.8 secs Computing kpt #: 111 total cpu time spent up to now is 39.4 secs Computing kpt #: 112 total cpu time spent up to now is 39.9 secs Computing kpt #: 113 total cpu time spent up to now is 40.5 secs Computing kpt #: 114 total cpu time spent up to now is 41.0 secs Computing kpt #: 115 total cpu time spent up to now is 41.6 secs Computing kpt #: 116 total cpu time spent up to now is 42.2 secs Computing kpt #: 117 total cpu time spent up to now is 42.8 secs Computing kpt #: 118 total cpu time spent up to now is 43.4 secs Computing kpt #: 119 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 44.5 secs Computing kpt #: 120 total cpu time spent up to now is 45.0 secs Computing kpt #: 121 total cpu time spent up to now is 45.6 secs Computing kpt #: 122 total cpu time spent up to now is 46.1 secs Computing kpt #: 123 total cpu time spent up to now is 46.7 secs Computing kpt #: 124 total cpu time spent up to now is 47.2 secs Computing kpt #: 125 total cpu time spent up to now is 47.7 secs Computing kpt #: 126 total cpu time spent up to now is 48.2 secs Computing kpt #: 127 total cpu time spent up to now is 48.7 secs Computing kpt #: 128 total cpu time spent up to now is 49.2 secs Computing kpt #: 129 total cpu time spent up to now is 49.6 secs Computing kpt #: 130 total cpu time spent up to now is 50.1 secs Computing kpt #: 131 total cpu time spent up to now is 50.5 secs Computing kpt #: 132 total cpu time spent up to now is 51.0 secs Computing kpt #: 133 total cpu time spent up to now is 51.5 secs Computing kpt #: 134 total cpu time spent up to now is 51.9 secs Computing kpt #: 135 total cpu time spent up to now is 52.4 secs Computing kpt #: 136 total cpu time spent up to now is 52.9 secs Computing kpt #: 137 total cpu time spent up to now is 53.3 secs Computing kpt #: 138 total cpu time spent up to now is 53.7 secs Computing kpt #: 139 total cpu time spent up to now is 54.1 secs Computing kpt #: 140 total cpu time spent up to now is 54.6 secs Computing kpt #: 141 total cpu time spent up to now is 55.0 secs Computing kpt #: 142 total cpu time spent up to now is 55.4 secs Computing kpt #: 143 total cpu time spent up to now is 55.8 secs Computing kpt #: 144 total cpu time spent up to now is 56.3 secs Computing kpt #: 145 total cpu time spent up to now is 56.7 secs Computing kpt #: 146 total cpu time spent up to now is 57.1 secs Computing kpt #: 147 total cpu time spent up to now is 57.6 secs Computing kpt #: 148 total cpu time spent up to now is 58.0 secs Computing kpt #: 149 total cpu time spent up to now is 58.5 secs Computing kpt #: 150 total cpu time spent up to now is 58.9 secs Computing kpt #: 151 total cpu time spent up to now is 59.3 secs Computing kpt #: 152 total cpu time spent up to now is 59.8 secs Computing kpt #: 153 total cpu time spent up to now is 60.2 secs Computing kpt #: 154 total cpu time spent up to now is 60.5 secs Computing kpt #: 155 total cpu time spent up to now is 60.9 secs Computing kpt #: 156 total cpu time spent up to now is 61.2 secs Computing kpt #: 157 total cpu time spent up to now is 61.6 secs Computing kpt #: 158 total cpu time spent up to now is 61.9 secs Computing kpt #: 159 total cpu time spent up to now is 62.3 secs Computing kpt #: 160 total cpu time spent up to now is 62.6 secs Computing kpt #: 161 total cpu time spent up to now is 62.9 secs Computing kpt #: 162 total cpu time spent up to now is 63.2 secs Computing kpt #: 163 total cpu time spent up to now is 63.7 secs Computing kpt #: 164 total cpu time spent up to now is 64.0 secs Computing kpt #: 165 total cpu time spent up to now is 64.3 secs Computing kpt #: 166 total cpu time spent up to now is 64.6 secs Computing kpt #: 167 total cpu time spent up to now is 64.9 secs Computing kpt #: 168 total cpu time spent up to now is 65.2 secs Computing kpt #: 169 total cpu time spent up to now is 65.6 secs Computing kpt #: 170 total cpu time spent up to now is 65.9 secs Computing kpt #: 171 total cpu time spent up to now is 66.2 secs Computing kpt #: 172 total cpu time spent up to now is 66.5 secs Computing kpt #: 173 total cpu time spent up to now is 66.8 secs Computing kpt #: 174 total cpu time spent up to now is 67.2 secs Computing kpt #: 175 total cpu time spent up to now is 67.5 secs Computing kpt #: 176 total cpu time spent up to now is 67.8 secs Computing kpt #: 177 total cpu time spent up to now is 68.1 secs Computing kpt #: 178 total cpu time spent up to now is 68.4 secs Computing kpt #: 179 total cpu time spent up to now is 68.7 secs Computing kpt #: 180 total cpu time spent up to now is 69.0 secs Computing kpt #: 181 total cpu time spent up to now is 69.3 secs Computing kpt #: 182 total cpu time spent up to now is 69.6 secs Computing kpt #: 183 total cpu time spent up to now is 70.0 secs Computing kpt #: 184 total cpu time spent up to now is 70.3 secs Computing kpt #: 185 total cpu time spent up to now is 70.6 secs Computing kpt #: 186 total cpu time spent up to now is 70.9 secs Computing kpt #: 187 total cpu time spent up to now is 71.2 secs Computing kpt #: 188 total cpu time spent up to now is 71.5 secs Computing kpt #: 189 total cpu time spent up to now is 71.8 secs Computing kpt #: 190 total cpu time spent up to now is 72.1 secs Computing kpt #: 191 total cpu time spent up to now is 72.4 secs Computing kpt #: 192 total cpu time spent up to now is 72.7 secs Computing kpt #: 193 total cpu time spent up to now is 73.0 secs Computing kpt #: 194 total cpu time spent up to now is 73.3 secs Computing kpt #: 195 total cpu time spent up to now is 73.6 secs Computing kpt #: 196 total cpu time spent up to now is 73.8 secs Computing kpt #: 197 total cpu time spent up to now is 74.1 secs Computing kpt #: 198 total cpu time spent up to now is 74.4 secs Computing kpt #: 199 total cpu time spent up to now is 74.7 secs Computing kpt #: 200 total cpu time spent up to now is 75.0 secs Computing kpt #: 201 total cpu time spent up to now is 75.3 secs Computing kpt #: 202 total cpu time spent up to now is 75.6 secs Computing kpt #: 203 total cpu time spent up to now is 75.9 secs Computing kpt #: 204 total cpu time spent up to now is 76.3 secs Computing kpt #: 205 total cpu time spent up to now is 76.5 secs Computing kpt #: 206 total cpu time spent up to now is 76.9 secs Computing kpt #: 207 total cpu time spent up to now is 77.2 secs Computing kpt #: 208 total cpu time spent up to now is 77.5 secs Computing kpt #: 209 total cpu time spent up to now is 77.8 secs Computing kpt #: 210 total cpu time spent up to now is 78.1 secs Computing kpt #: 211 total cpu time spent up to now is 78.4 secs Computing kpt #: 212 total cpu time spent up to now is 78.7 secs Computing kpt #: 213 total cpu time spent up to now is 79.0 secs Computing kpt #: 214 total cpu time spent up to now is 79.3 secs Computing kpt #: 215 total cpu time spent up to now is 79.6 secs Computing kpt #: 216 total cpu time spent up to now is 79.9 secs Computing kpt #: 217 total cpu time spent up to now is 80.2 secs Computing kpt #: 218 total cpu time spent up to now is 80.5 secs Computing kpt #: 219 total cpu time spent up to now is 80.8 secs Computing kpt #: 220 total cpu time spent up to now is 81.1 secs Computing kpt #: 221 total cpu time spent up to now is 81.5 secs Computing kpt #: 222 total cpu time spent up to now is 81.8 secs Computing kpt #: 223 total cpu time spent up to now is 82.1 secs Computing kpt #: 224 total cpu time spent up to now is 82.5 secs Computing kpt #: 225 total cpu time spent up to now is 82.8 secs Computing kpt #: 226 total cpu time spent up to now is 83.1 secs Computing kpt #: 227 total cpu time spent up to now is 83.4 secs Computing kpt #: 228 total cpu time spent up to now is 83.7 secs Computing kpt #: 229 total cpu time spent up to now is 84.2 secs Computing kpt #: 230 total cpu time spent up to now is 84.6 secs Computing kpt #: 231 total cpu time spent up to now is 85.0 secs Computing kpt #: 232 total cpu time spent up to now is 85.4 secs Computing kpt #: 233 total cpu time spent up to now is 85.9 secs Computing kpt #: 234 total cpu time spent up to now is 86.2 secs Computing kpt #: 235 total cpu time spent up to now is 86.6 secs Computing kpt #: 236 total cpu time spent up to now is 87.1 secs Computing kpt #: 237 total cpu time spent up to now is 87.5 secs Computing kpt #: 238 total cpu time spent up to now is 87.9 secs Computing kpt #: 239 total cpu time spent up to now is 88.3 secs Computing kpt #: 240 total cpu time spent up to now is 88.7 secs Computing kpt #: 241 total cpu time spent up to now is 89.1 secs Computing kpt #: 242 total cpu time spent up to now is 89.5 secs Computing kpt #: 243 total cpu time spent up to now is 90.0 secs Computing kpt #: 244 total cpu time spent up to now is 90.4 secs Computing kpt #: 245 total cpu time spent up to now is 90.8 secs Computing kpt #: 246 total cpu time spent up to now is 91.2 secs Computing kpt #: 247 total cpu time spent up to now is 91.6 secs Computing kpt #: 248 total cpu time spent up to now is 92.1 secs Computing kpt #: 249 total cpu time spent up to now is 92.5 secs Computing kpt #: 250 total cpu time spent up to now is 92.9 secs Computing kpt #: 251 total cpu time spent up to now is 93.3 secs Computing kpt #: 252 total cpu time spent up to now is 93.7 secs Computing kpt #: 253 total cpu time spent up to now is 94.1 secs Computing kpt #: 254 total cpu time spent up to now is 94.6 secs Computing kpt #: 255 total cpu time spent up to now is 95.0 secs Computing kpt #: 256 total cpu time spent up to now is 95.4 secs Computing kpt #: 257 total cpu time spent up to now is 95.8 secs Computing kpt #: 258 total cpu time spent up to now is 96.3 secs Computing kpt #: 259 total cpu time spent up to now is 96.7 secs Computing kpt #: 260 total cpu time spent up to now is 97.1 secs Computing kpt #: 261 total cpu time spent up to now is 97.5 secs Computing kpt #: 262 total cpu time spent up to now is 98.0 secs Computing kpt #: 263 total cpu time spent up to now is 98.4 secs Computing kpt #: 264 total cpu time spent up to now is 98.8 secs Computing kpt #: 265 total cpu time spent up to now is 99.3 secs Computing kpt #: 266 total cpu time spent up to now is 99.7 secs Computing kpt #: 267 total cpu time spent up to now is 100.1 secs Computing kpt #: 268 total cpu time spent up to now is 100.5 secs Computing kpt #: 269 total cpu time spent up to now is 101.0 secs Computing kpt #: 270 total cpu time spent up to now is 101.4 secs Computing kpt #: 271 total cpu time spent up to now is 101.8 secs Computing kpt #: 272 total cpu time spent up to now is 102.3 secs Computing kpt #: 273 total cpu time spent up to now is 102.7 secs Computing kpt #: 274 total cpu time spent up to now is 103.1 secs Computing kpt #: 275 total cpu time spent up to now is 103.6 secs Computing kpt #: 276 total cpu time spent up to now is 104.0 secs Computing kpt #: 277 total cpu time spent up to now is 104.4 secs Computing kpt #: 278 total cpu time spent up to now is 104.9 secs Computing kpt #: 279 total cpu time spent up to now is 105.3 secs Computing kpt #: 280 total cpu time spent up to now is 105.8 secs Computing kpt #: 281 total cpu time spent up to now is 106.2 secs Computing kpt #: 282 total cpu time spent up to now is 106.6 secs Computing kpt #: 283 total cpu time spent up to now is 107.1 secs Computing kpt #: 284 total cpu time spent up to now is 107.5 secs Computing kpt #: 285 total cpu time spent up to now is 107.9 secs Computing kpt #: 286 total cpu time spent up to now is 108.4 secs Computing kpt #: 287 total cpu time spent up to now is 108.8 secs Computing kpt #: 288 total cpu time spent up to now is 109.2 secs Computing kpt #: 289 total cpu time spent up to now is 109.6 secs Computing kpt #: 290 total cpu time spent up to now is 110.0 secs Computing kpt #: 291 total cpu time spent up to now is 110.5 secs Computing kpt #: 292 total cpu time spent up to now is 110.9 secs Computing kpt #: 293 total cpu time spent up to now is 111.3 secs Computing kpt #: 294 total cpu time spent up to now is 111.7 secs Computing kpt #: 295 total cpu time spent up to now is 112.2 secs Computing kpt #: 296 total cpu time spent up to now is 112.6 secs Computing kpt #: 297 total cpu time spent up to now is 113.0 secs Computing kpt #: 298 total cpu time spent up to now is 113.4 secs Computing kpt #: 299 total cpu time spent up to now is 113.9 secs Computing kpt #: 300 total cpu time spent up to now is 114.3 secs Computing kpt #: 301 total cpu time spent up to now is 114.8 secs Computing kpt #: 302 total cpu time spent up to now is 115.2 secs Computing kpt #: 303 total cpu time spent up to now is 115.7 secs Computing kpt #: 304 total cpu time spent up to now is 116.1 secs Computing kpt #: 305 total cpu time spent up to now is 116.6 secs Computing kpt #: 306 total cpu time spent up to now is 117.1 secs Computing kpt #: 307 total cpu time spent up to now is 117.6 secs Computing kpt #: 308 total cpu time spent up to now is 118.1 secs Computing kpt #: 309 total cpu time spent up to now is 118.6 secs Computing kpt #: 310 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 119.7 secs Computing kpt #: 311 total cpu time spent up to now is 120.3 secs Computing kpt #: 312 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 121.4 secs Computing kpt #: 313 total cpu time spent up to now is 122.5 secs Computing kpt #: 314 total cpu time spent up to now is 123.3 secs Computing kpt #: 315 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 124.4 secs Computing kpt #: 316 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 125.6 secs Computing kpt #: 317 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 126.7 secs Computing kpt #: 318 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 127.8 secs Computing kpt #: 319 total cpu time spent up to now is 128.8 secs Computing kpt #: 320 total cpu time spent up to now is 129.2 secs Computing kpt #: 321 total cpu time spent up to now is 129.6 secs Computing kpt #: 322 total cpu time spent up to now is 130.1 secs Computing kpt #: 323 total cpu time spent up to now is 130.5 secs Computing kpt #: 324 total cpu time spent up to now is 131.0 secs Computing kpt #: 325 total cpu time spent up to now is 131.4 secs Computing kpt #: 326 total cpu time spent up to now is 131.8 secs Computing kpt #: 327 total cpu time spent up to now is 132.3 secs Computing kpt #: 328 total cpu time spent up to now is 132.8 secs Computing kpt #: 329 total cpu time spent up to now is 133.2 secs Computing kpt #: 330 total cpu time spent up to now is 133.7 secs Computing kpt #: 331 total cpu time spent up to now is 134.1 secs Computing kpt #: 332 total cpu time spent up to now is 134.5 secs Computing kpt #: 333 total cpu time spent up to now is 134.9 secs Computing kpt #: 334 total cpu time spent up to now is 135.3 secs Computing kpt #: 335 total cpu time spent up to now is 135.7 secs Computing kpt #: 336 total cpu time spent up to now is 136.1 secs Computing kpt #: 337 total cpu time spent up to now is 136.5 secs Computing kpt #: 338 total cpu time spent up to now is 136.9 secs Computing kpt #: 339 total cpu time spent up to now is 137.2 secs Computing kpt #: 340 total cpu time spent up to now is 137.6 secs Computing kpt #: 341 total cpu time spent up to now is 137.9 secs Computing kpt #: 342 total cpu time spent up to now is 138.2 secs Computing kpt #: 343 total cpu time spent up to now is 138.6 secs Computing kpt #: 344 total cpu time spent up to now is 138.9 secs Computing kpt #: 345 total cpu time spent up to now is 139.2 secs Computing kpt #: 346 total cpu time spent up to now is 139.5 secs Computing kpt #: 347 total cpu time spent up to now is 139.9 secs Computing kpt #: 348 total cpu time spent up to now is 140.2 secs Computing kpt #: 349 total cpu time spent up to now is 140.5 secs Computing kpt #: 350 total cpu time spent up to now is 140.8 secs Computing kpt #: 351 total cpu time spent up to now is 141.1 secs Computing kpt #: 352 total cpu time spent up to now is 141.4 secs Computing kpt #: 353 total cpu time spent up to now is 141.7 secs Computing kpt #: 354 total cpu time spent up to now is 142.0 secs Computing kpt #: 355 total cpu time spent up to now is 142.3 secs Computing kpt #: 356 total cpu time spent up to now is 142.6 secs Computing kpt #: 357 total cpu time spent up to now is 142.9 secs Computing kpt #: 358 total cpu time spent up to now is 143.2 secs Computing kpt #: 359 total cpu time spent up to now is 143.5 secs Computing kpt #: 360 total cpu time spent up to now is 143.8 secs Computing kpt #: 361 total cpu time spent up to now is 144.1 secs Computing kpt #: 362 total cpu time spent up to now is 144.4 secs Computing kpt #: 363 total cpu time spent up to now is 144.7 secs Computing kpt #: 364 total cpu time spent up to now is 145.0 secs Computing kpt #: 365 total cpu time spent up to now is 145.3 secs Computing kpt #: 366 total cpu time spent up to now is 145.6 secs Computing kpt #: 367 total cpu time spent up to now is 145.9 secs Computing kpt #: 368 total cpu time spent up to now is 146.2 secs Computing kpt #: 369 total cpu time spent up to now is 146.5 secs Computing kpt #: 370 total cpu time spent up to now is 146.8 secs Computing kpt #: 371 total cpu time spent up to now is 147.1 secs Computing kpt #: 372 total cpu time spent up to now is 147.4 secs Computing kpt #: 373 total cpu time spent up to now is 147.7 secs Computing kpt #: 374 total cpu time spent up to now is 148.0 secs Computing kpt #: 375 total cpu time spent up to now is 148.3 secs Computing kpt #: 376 total cpu time spent up to now is 148.6 secs Computing kpt #: 377 total cpu time spent up to now is 148.9 secs Computing kpt #: 378 total cpu time spent up to now is 149.2 secs Computing kpt #: 379 total cpu time spent up to now is 149.5 secs Computing kpt #: 380 total cpu time spent up to now is 149.8 secs Computing kpt #: 381 total cpu time spent up to now is 150.1 secs Computing kpt #: 382 total cpu time spent up to now is 150.5 secs Computing kpt #: 383 total cpu time spent up to now is 150.8 secs Computing kpt #: 384 total cpu time spent up to now is 151.1 secs Computing kpt #: 385 total cpu time spent up to now is 151.4 secs Computing kpt #: 386 total cpu time spent up to now is 151.8 secs Computing kpt #: 387 total cpu time spent up to now is 152.1 secs Computing kpt #: 388 total cpu time spent up to now is 152.4 secs Computing kpt #: 389 total cpu time spent up to now is 152.7 secs Computing kpt #: 390 total cpu time spent up to now is 153.1 secs Computing kpt #: 391 total cpu time spent up to now is 153.4 secs Computing kpt #: 392 total cpu time spent up to now is 153.7 secs Computing kpt #: 393 total cpu time spent up to now is 154.0 secs Computing kpt #: 394 total cpu time spent up to now is 154.4 secs Computing kpt #: 395 total cpu time spent up to now is 154.7 secs Computing kpt #: 396 total cpu time spent up to now is 155.0 secs Computing kpt #: 397 total cpu time spent up to now is 155.4 secs Computing kpt #: 398 total cpu time spent up to now is 155.7 secs Computing kpt #: 399 total cpu time spent up to now is 156.0 secs Computing kpt #: 400 total cpu time spent up to now is 156.4 secs Computing kpt #: 401 total cpu time spent up to now is 156.7 secs Computing kpt #: 402 total cpu time spent up to now is 157.0 secs Computing kpt #: 403 total cpu time spent up to now is 157.3 secs Computing kpt #: 404 total cpu time spent up to now is 157.6 secs Computing kpt #: 405 total cpu time spent up to now is 158.0 secs Computing kpt #: 406 total cpu time spent up to now is 158.3 secs Computing kpt #: 407 total cpu time spent up to now is 158.6 secs Computing kpt #: 408 total cpu time spent up to now is 158.9 secs Computing kpt #: 409 total cpu time spent up to now is 159.2 secs Computing kpt #: 410 total cpu time spent up to now is 159.6 secs Computing kpt #: 411 total cpu time spent up to now is 159.9 secs Computing kpt #: 412 total cpu time spent up to now is 160.2 secs Computing kpt #: 413 total cpu time spent up to now is 160.5 secs Computing kpt #: 414 total cpu time spent up to now is 160.8 secs Computing kpt #: 415 total cpu time spent up to now is 161.1 secs Computing kpt #: 416 total cpu time spent up to now is 161.4 secs Computing kpt #: 417 total cpu time spent up to now is 161.7 secs Computing kpt #: 418 total cpu time spent up to now is 162.0 secs Computing kpt #: 419 total cpu time spent up to now is 162.3 secs Computing kpt #: 420 total cpu time spent up to now is 162.7 secs Computing kpt #: 421 total cpu time spent up to now is 163.0 secs Computing kpt #: 422 total cpu time spent up to now is 163.3 secs Computing kpt #: 423 total cpu time spent up to now is 163.6 secs Computing kpt #: 424 total cpu time spent up to now is 164.0 secs Computing kpt #: 425 total cpu time spent up to now is 164.3 secs Computing kpt #: 426 total cpu time spent up to now is 164.6 secs Computing kpt #: 427 total cpu time spent up to now is 165.0 secs Computing kpt #: 428 total cpu time spent up to now is 165.3 secs Computing kpt #: 429 total cpu time spent up to now is 165.6 secs Computing kpt #: 430 total cpu time spent up to now is 166.0 secs Computing kpt #: 431 total cpu time spent up to now is 166.3 secs Computing kpt #: 432 total cpu time spent up to now is 166.6 secs Computing kpt #: 433 total cpu time spent up to now is 167.0 secs Computing kpt #: 434 total cpu time spent up to now is 167.3 secs Computing kpt #: 435 total cpu time spent up to now is 167.6 secs Computing kpt #: 436 total cpu time spent up to now is 168.0 secs Computing kpt #: 437 total cpu time spent up to now is 168.3 secs Computing kpt #: 438 total cpu time spent up to now is 168.7 secs Computing kpt #: 439 total cpu time spent up to now is 169.0 secs Computing kpt #: 440 total cpu time spent up to now is 169.3 secs Computing kpt #: 441 total cpu time spent up to now is 169.7 secs Computing kpt #: 442 total cpu time spent up to now is 170.0 secs Computing kpt #: 443 total cpu time spent up to now is 170.3 secs Computing kpt #: 444 total cpu time spent up to now is 170.6 secs Computing kpt #: 445 total cpu time spent up to now is 171.0 secs Computing kpt #: 446 total cpu time spent up to now is 171.3 secs Computing kpt #: 447 total cpu time spent up to now is 171.6 secs Computing kpt #: 448 total cpu time spent up to now is 171.9 secs Computing kpt #: 449 total cpu time spent up to now is 172.2 secs Computing kpt #: 450 total cpu time spent up to now is 172.5 secs Computing kpt #: 451 total cpu time spent up to now is 172.8 secs Computing kpt #: 452 total cpu time spent up to now is 173.1 secs Computing kpt #: 453 total cpu time spent up to now is 173.5 secs Computing kpt #: 454 total cpu time spent up to now is 174.0 secs Computing kpt #: 455 total cpu time spent up to now is 174.4 secs Computing kpt #: 456 total cpu time spent up to now is 174.8 secs Computing kpt #: 457 total cpu time spent up to now is 175.3 secs Computing kpt #: 458 total cpu time spent up to now is 175.7 secs Computing kpt #: 459 total cpu time spent up to now is 176.1 secs Computing kpt #: 460 total cpu time spent up to now is 176.5 secs Computing kpt #: 461 total cpu time spent up to now is 176.9 secs Computing kpt #: 462 total cpu time spent up to now is 177.4 secs Computing kpt #: 463 total cpu time spent up to now is 177.8 secs Computing kpt #: 464 total cpu time spent up to now is 178.2 secs Computing kpt #: 465 total cpu time spent up to now is 178.6 secs Computing kpt #: 466 total cpu time spent up to now is 179.0 secs Computing kpt #: 467 total cpu time spent up to now is 179.5 secs Computing kpt #: 468 total cpu time spent up to now is 179.9 secs Computing kpt #: 469 total cpu time spent up to now is 180.3 secs Computing kpt #: 470 total cpu time spent up to now is 180.7 secs Computing kpt #: 471 total cpu time spent up to now is 181.1 secs Computing kpt #: 472 total cpu time spent up to now is 181.6 secs Computing kpt #: 473 total cpu time spent up to now is 182.0 secs Computing kpt #: 474 total cpu time spent up to now is 182.4 secs Computing kpt #: 475 total cpu time spent up to now is 182.8 secs Computing kpt #: 476 total cpu time spent up to now is 183.2 secs Computing kpt #: 477 total cpu time spent up to now is 183.7 secs Computing kpt #: 478 total cpu time spent up to now is 184.1 secs Computing kpt #: 479 total cpu time spent up to now is 184.5 secs Computing kpt #: 480 total cpu time spent up to now is 184.9 secs Computing kpt #: 481 total cpu time spent up to now is 185.3 secs Computing kpt #: 482 total cpu time spent up to now is 185.7 secs Computing kpt #: 483 total cpu time spent up to now is 186.2 secs Computing kpt #: 484 total cpu time spent up to now is 186.5 secs Computing kpt #: 485 total cpu time spent up to now is 186.8 secs Computing kpt #: 486 total cpu time spent up to now is 187.1 secs Computing kpt #: 487 total cpu time spent up to now is 187.6 secs Computing kpt #: 488 total cpu time spent up to now is 188.0 secs Computing kpt #: 489 total cpu time spent up to now is 188.4 secs Computing kpt #: 490 total cpu time spent up to now is 188.8 secs Computing kpt #: 491 total cpu time spent up to now is 189.2 secs Computing kpt #: 492 total cpu time spent up to now is 189.6 secs Computing kpt #: 493 total cpu time spent up to now is 190.1 secs Computing kpt #: 494 total cpu time spent up to now is 190.4 secs Computing kpt #: 495 total cpu time spent up to now is 190.9 secs Computing kpt #: 496 total cpu time spent up to now is 191.3 secs Computing kpt #: 497 total cpu time spent up to now is 191.7 secs Computing kpt #: 498 total cpu time spent up to now is 192.1 secs Computing kpt #: 499 total cpu time spent up to now is 192.6 secs Computing kpt #: 500 total cpu time spent up to now is 193.0 secs Computing kpt #: 501 total cpu time spent up to now is 193.4 secs Computing kpt #: 502 total cpu time spent up to now is 193.9 secs Computing kpt #: 503 total cpu time spent up to now is 194.5 secs Computing kpt #: 504 total cpu time spent up to now is 194.9 secs Computing kpt #: 505 total cpu time spent up to now is 195.4 secs Computing kpt #: 506 total cpu time spent up to now is 195.8 secs Computing kpt #: 507 total cpu time spent up to now is 196.2 secs Computing kpt #: 508 total cpu time spent up to now is 196.6 secs Computing kpt #: 509 total cpu time spent up to now is 197.0 secs Computing kpt #: 510 total cpu time spent up to now is 197.5 secs Computing kpt #: 511 total cpu time spent up to now is 197.9 secs Computing kpt #: 512 total cpu time spent up to now is 198.3 secs Computing kpt #: 513 total cpu time spent up to now is 198.7 secs Computing kpt #: 514 total cpu time spent up to now is 199.1 secs Computing kpt #: 515 total cpu time spent up to now is 199.5 secs Computing kpt #: 516 total cpu time spent up to now is 200.0 secs Computing kpt #: 517 total cpu time spent up to now is 200.4 secs Computing kpt #: 518 total cpu time spent up to now is 200.8 secs Computing kpt #: 519 total cpu time spent up to now is 201.3 secs Computing kpt #: 520 total cpu time spent up to now is 201.7 secs ethr = 3.33E-08, avg # of iterations = 21.3 total cpu time spent up to now is 201.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6855 PWs) bands (ev): -40.5595 -40.5595 -40.5506 -40.5506 -20.1383 -20.1383 -19.7745 -19.7745 -11.1893 -11.1893 -11.0568 -11.0568 -3.7801 -3.7801 -3.1125 -3.1125 -2.5057 -2.5057 -1.6005 -1.6005 -1.5293 -1.5293 -0.8734 -0.8734 1.8708 1.8708 3.4519 3.4519 3.6185 3.6185 3.6831 3.6831 9.7030 9.7030 10.0132 10.0132 11.0140 11.0140 k = 0.0093-0.0000-0.0000 ( 6849 PWs) bands (ev): -40.5595 -40.5595 -40.5506 -40.5506 -20.1381 -20.1381 -19.7744 -19.7744 -11.1891 -11.1891 -11.0566 -11.0566 -3.7802 -3.7802 -3.1126 -3.1126 -2.5054 -2.5054 -1.6005 -1.6005 -1.5307 -1.5307 -0.8747 -0.8747 1.8711 1.8711 3.4516 3.4516 3.6173 3.6173 3.6818 3.6818 9.7031 9.7031 10.0132 10.0132 11.0156 11.0156 k = 0.0185-0.0000-0.0000 ( 6859 PWs) bands (ev): -40.5594 -40.5594 -40.5506 -40.5506 -20.1374 -20.1374 -19.7742 -19.7742 -11.1883 -11.1883 -11.0559 -11.0559 -3.7803 -3.7803 -3.1129 -3.1129 -2.5042 -2.5042 -1.6005 -1.6005 -1.5346 -1.5346 -0.8787 -0.8787 1.8720 1.8720 3.4506 3.4506 3.6135 3.6135 3.6778 3.6778 9.7035 9.7035 10.0130 10.0130 11.0206 11.0206 k = 0.0278-0.0000-0.0000 ( 6861 PWs) bands (ev): -40.5594 -40.5594 -40.5505 -40.5505 -20.1363 -20.1363 -19.7738 -19.7738 -11.1869 -11.1869 -11.0548 -11.0548 -3.7805 -3.7805 -3.1133 -3.1133 -2.5023 -2.5023 -1.6005 -1.6005 -1.5411 -1.5411 -0.8853 -0.8853 1.8735 1.8735 3.4490 3.4490 3.6072 3.6072 3.6711 3.6711 9.7042 9.7042 10.0127 10.0127 11.0287 11.0287 k = 0.0370-0.0000-0.0000 ( 6873 PWs) bands (ev): -40.5593 -40.5593 -40.5505 -40.5505 -20.1348 -20.1348 -19.7733 -19.7733 -11.1851 -11.1851 -11.0533 -11.0533 -3.7808 -3.7808 -3.1140 -3.1140 -2.4996 -2.4996 -1.6005 -1.6005 -1.5501 -1.5501 -0.8945 -0.8945 1.8757 1.8757 3.4467 3.4467 3.5985 3.5985 3.6618 3.6618 9.7051 9.7051 10.0123 10.0123 11.0401 11.0401 k = 0.0463-0.0000-0.0000 ( 6862 PWs) bands (ev): -40.5592 -40.5592 -40.5504 -40.5504 -20.1329 -20.1329 -19.7726 -19.7726 -11.1827 -11.1827 -11.0514 -11.0514 -3.7811 -3.7811 -3.1148 -3.1148 -2.4962 -2.4962 -1.6007 -1.6007 -1.5614 -1.5614 -0.9063 -0.9063 1.8784 1.8784 3.4439 3.4439 3.5874 3.5874 3.6500 3.6500 9.7062 9.7062 10.0118 10.0118 11.0546 11.0546 k = 0.0556-0.0000-0.0000 ( 6858 PWs) bands (ev): -40.5591 -40.5591 -40.5504 -40.5504 -20.1305 -20.1305 -19.7718 -19.7718 -11.1798 -11.1798 -11.0490 -11.0490 -3.7816 -3.7816 -3.1159 -3.1159 -2.4920 -2.4920 -1.6012 -1.6012 -1.5748 -1.5748 -0.9205 -0.9205 1.8818 1.8818 3.4403 3.4403 3.5739 3.5739 3.6356 3.6356 9.7076 9.7076 10.0112 10.0112 11.0722 11.0722 k = 0.0648-0.0000-0.0000 ( 6854 PWs) bands (ev): -40.5589 -40.5589 -40.5503 -40.5503 -20.1278 -20.1278 -19.7708 -19.7708 -11.1764 -11.1764 -11.0462 -11.0462 -3.7821 -3.7821 -3.1172 -3.1172 -2.4871 -2.4871 -1.6035 -1.6035 -1.5887 -1.5887 -0.9372 -0.9372 1.8857 1.8857 3.4361 3.4361 3.5582 3.5582 3.6188 3.6188 9.7092 9.7092 10.0105 10.0105 11.0928 11.0928 k = 0.0741-0.0000-0.0000 ( 6856 PWs) bands (ev): -40.5588 -40.5588 -40.5501 -40.5501 -20.1246 -20.1246 -19.7698 -19.7698 -11.1725 -11.1725 -11.0430 -11.0430 -3.7827 -3.7827 -3.1188 -3.1188 -2.4815 -2.4815 -1.6146 -1.6146 -1.5961 -1.5961 -0.9562 -0.9562 1.8903 1.8903 3.4312 3.4312 3.5402 3.5402 3.5996 3.5996 9.7110 9.7110 10.0096 10.0096 11.1163 11.1163 k = 0.0833-0.0000-0.0000 ( 6856 PWs) bands (ev): -40.5586 -40.5586 -40.5500 -40.5500 -20.1210 -20.1210 -19.7686 -19.7686 -11.1681 -11.1681 -11.0395 -11.0395 -3.7834 -3.7834 -3.1206 -3.1206 -2.4751 -2.4751 -1.6338 -1.6338 -1.5975 -1.5975 -0.9774 -0.9774 1.8955 1.8955 3.4256 3.4256 3.5202 3.5202 3.5782 3.5782 9.7130 9.7130 10.0086 10.0086 11.1425 11.1425 k = 0.0926-0.0000-0.0000 ( 6856 PWs) bands (ev): -40.5584 -40.5584 -40.5499 -40.5499 -20.1170 -20.1170 -19.7673 -19.7673 -11.1632 -11.1632 -11.0355 -11.0355 -3.7842 -3.7842 -3.1227 -3.1227 -2.4680 -2.4680 -1.6560 -1.6560 -1.5979 -1.5979 -1.0007 -1.0007 1.9012 1.9012 3.4193 3.4193 3.4981 3.4981 3.5545 3.5545 9.7151 9.7151 10.0075 10.0075 11.1714 11.1714 k = 0.1019-0.0000-0.0000 ( 6854 PWs) bands (ev): -40.5582 -40.5582 -40.5497 -40.5497 -20.1126 -20.1126 -19.7658 -19.7658 -11.1578 -11.1578 -11.0312 -11.0312 -3.7850 -3.7850 -3.1252 -3.1252 -2.4603 -2.4603 -1.6803 -1.6803 -1.5980 -1.5980 -1.0260 -1.0260 1.9076 1.9076 3.4121 3.4121 3.4743 3.4743 3.5289 3.5289 9.7174 9.7174 10.0062 10.0062 11.2029 11.2029 k = 0.1111-0.0000-0.0000 ( 6854 PWs) bands (ev): -40.5579 -40.5579 -40.5496 -40.5496 -20.1079 -20.1079 -19.7643 -19.7643 -11.1520 -11.1520 -11.0265 -11.0265 -3.7860 -3.7860 -3.1280 -3.1280 -2.4518 -2.4518 -1.7063 -1.7063 -1.5981 -1.5981 -1.0532 -1.0532 1.9146 1.9146 3.4039 3.4039 3.4491 3.4491 3.5013 3.5013 9.7198 9.7198 10.0048 10.0048 11.2367 11.2367 k = 0.1204-0.0000-0.0000 ( 6856 PWs) bands (ev): -40.5577 -40.5577 -40.5494 -40.5494 -20.1027 -20.1027 -19.7627 -19.7627 -11.1458 -11.1458 -11.0215 -11.0215 -3.7871 -3.7871 -3.1313 -3.1313 -2.4428 -2.4428 -1.7339 -1.7339 -1.5982 -1.5982 -1.0822 -1.0822 1.9221 1.9221 3.3938 3.3938 3.4233 3.4233 3.4719 3.4719 9.7223 9.7223 10.0032 10.0032 11.2728 11.2728 k = 0.1296-0.0000-0.0000 ( 6856 PWs) bands (ev): -40.5574 -40.5574 -40.5492 -40.5492 -20.0973 -20.0973 -19.7610 -19.7610 -11.1391 -11.1391 -11.0161 -11.0161 -3.7882 -3.7882 -3.1349 -3.1349 -2.4330 -2.4330 -1.7629 -1.7629 -1.5983 -1.5983 -1.1128 -1.1128 1.9303 1.9303 3.3784 3.3784 3.4003 3.4003 3.4411 3.4411 9.7249 9.7249 10.0014 10.0014 11.3109 11.3109 k = 0.1389-0.0000-0.0000 ( 6854 PWs) bands (ev): -40.5571 -40.5571 -40.5490 -40.5490 -20.0914 -20.0914 -19.7592 -19.7592 -11.1321 -11.1321 -11.0105 -11.0105 -3.7895 -3.7895 -3.1391 -3.1391 -2.4227 -2.4227 -1.7929 -1.7929 -1.5985 -1.5985 -1.1448 -1.1448 1.9390 1.9390 3.3535 3.3535 3.3839 3.3839 3.4094 3.4094 9.7276 9.7276 9.9994 9.9994 11.3510 11.3510 k = 0.1481-0.0000-0.0000 ( 6856 PWs) bands (ev): -40.5568 -40.5568 -40.5489 -40.5489 -20.0853 -20.0853 -19.7574 -19.7574 -11.1246 -11.1246 -11.0046 -11.0046 -3.7908 -3.7908 -3.1438 -3.1438 -2.4117 -2.4117 -1.8239 -1.8239 -1.5988 -1.5988 -1.1782 -1.1782 1.9483 1.9483 3.3231 3.3231 3.3659 3.3659 3.3815 3.3815 9.7303 9.7303 9.9973 9.9973 11.3928 11.3928 k = 0.1574-0.0000-0.0000 ( 6856 PWs) bands (ev): -40.5565 -40.5565 -40.5487 -40.5487 -20.0788 -20.0788 -19.7555 -19.7555 -11.1168 -11.1168 -10.9984 -10.9984 -3.7923 -3.7923 -3.1490 -3.1490 -2.4002 -2.4002 -1.8556 -1.8556 -1.5992 -1.5992 -1.2128 -1.2128 1.9582 1.9582 3.2904 3.2904 3.3350 3.3350 3.3656 3.3656 9.7330 9.7330 9.9950 9.9950 11.4363 11.4363 k = 0.1667-0.0000-0.0000 ( 6858 PWs) bands (ev): -40.5561 -40.5561 -40.5484 -40.5484 -20.0720 -20.0720 -19.7536 -19.7536 -11.1087 -11.1087 -10.9919 -10.9919 -3.7938 -3.7938 -3.1550 -3.1550 -2.3881 -2.3881 -1.8879 -1.8879 -1.5997 -1.5997 -1.2484 -1.2484 1.9687 1.9687 3.2562 3.2562 3.2993 3.2993 3.3532 3.3532 9.7358 9.7358 9.9925 9.9925 11.4812 11.4812 k = 0.1759-0.0000-0.0000 ( 6862 PWs) bands (ev): -40.5558 -40.5558 -40.5482 -40.5482 -20.0650 -20.0650 -19.7517 -19.7517 -11.1002 -11.1002 -10.9853 -10.9853 -3.7955 -3.7955 -3.1616 -3.1616 -2.3756 -2.3756 -1.9204 -1.9204 -1.6004 -1.6004 -1.2849 -1.2849 1.9797 1.9797 3.2209 3.2209 3.2619 3.2619 3.3409 3.3409 9.7385 9.7385 9.9898 9.9898 11.5274 11.5274 k = 0.1852-0.0000-0.0000 ( 6856 PWs) bands (ev): -40.5554 -40.5554 -40.5480 -40.5480 -20.0576 -20.0576 -19.7498 -19.7498 -11.0915 -11.0915 -10.9784 -10.9784 -3.7972 -3.7972 -3.1689 -3.1689 -2.3625 -2.3625 -1.9530 -1.9530 -1.6013 -1.6013 -1.3222 -1.3222 1.9913 1.9913 3.1847 3.1847 3.2236 3.2236 3.3283 3.3283 9.7412 9.7412 9.9868 9.9868 11.5747 11.5747 k = 0.1944-0.0000-0.0000 ( 6856 PWs) bands (ev): -40.5551 -40.5551 -40.5478 -40.5478 -20.0500 -20.0500 -19.7478 -19.7478 -11.0825 -11.0825 -10.9714 -10.9714 -3.7991 -3.7991 -3.1771 -3.1771 -2.3489 -2.3489 -1.9855 -1.9855 -1.6023 -1.6023 -1.3601 -1.3601 2.0035 2.0035 3.1478 3.1478 3.1844 3.1844 3.3152 3.3152 9.7439 9.7439 9.9837 9.9837 11.6230 11.6230 k = 0.2037-0.0000-0.0000 ( 6862 PWs) bands (ev): -40.5547 -40.5547 -40.5476 -40.5476 -20.0422 -20.0422 -19.7459 -19.7459 -11.0732 -11.0732 -10.9642 -10.9642 -3.8010 -3.8010 -3.1861 -3.1861 -2.3349 -2.3349 -2.0176 -2.0176 -1.6036 -1.6036 -1.3984 -1.3984 2.0162 2.0162 3.1102 3.1102 3.1447 3.1447 3.3016 3.3016 9.7465 9.7465 9.9804 9.9804 11.6722 11.6722 k = 0.2130-0.0000-0.0000 ( 6866 PWs) bands (ev): -40.5543 -40.5543 -40.5473 -40.5473 -20.0342 -20.0342 -19.7441 -19.7441 -11.0637 -11.0637 -10.9569 -10.9569 -3.8030 -3.8030 -3.1960 -3.1960 -2.3204 -2.3204 -2.0492 -2.0492 -1.6051 -1.6051 -1.4370 -1.4370 2.0294 2.0294 3.0723 3.0723 3.1045 3.1045 3.2875 3.2875 9.7490 9.7490 9.9768 9.9768 11.7220 11.7220 k = 0.2222-0.0000-0.0000 ( 6862 PWs) bands (ev): -40.5539 -40.5539 -40.5471 -40.5471 -20.0259 -20.0259 -19.7422 -19.7422 -11.0541 -11.0541 -10.9496 -10.9496 -3.8051 -3.8051 -3.2069 -3.2069 -2.3056 -2.3056 -2.0800 -2.0800 -1.6069 -1.6069 -1.4758 -1.4758 2.0432 2.0432 3.0340 3.0340 3.0640 3.0640 3.2728 3.2728 9.7515 9.7515 9.9730 9.9730 11.7725 11.7725 k = 0.2315-0.0000-0.0000 ( 6862 PWs) bands (ev): -40.5535 -40.5535 -40.5469 -40.5469 -20.0174 -20.0174 -19.7405 -19.7405 -11.0442 -11.0442 -10.9421 -10.9421 -3.8072 -3.8072 -3.2188 -3.2188 -2.2905 -2.2905 -2.1099 -2.1099 -1.6091 -1.6091 -1.5146 -1.5146 2.0575 2.0575 2.9957 2.9957 3.0235 3.0235 3.2576 3.2576 9.7539 9.7539 9.9691 9.9691 11.8234 11.8234 k = 0.2407-0.0000-0.0000 ( 6864 PWs) bands (ev): -40.5531 -40.5531 -40.5466 -40.5466 -20.0088 -20.0088 -19.7388 -19.7388 -11.0343 -11.0343 -10.9346 -10.9346 -3.8093 -3.8093 -3.2317 -3.2317 -2.2751 -2.2751 -2.1386 -2.1386 -1.6117 -1.6117 -1.5530 -1.5530 2.0724 2.0724 2.9573 2.9573 2.9829 2.9829 3.2419 3.2419 9.7562 9.7562 9.9649 9.9649 11.8746 11.8746 k = 0.2500-0.0000-0.0000 ( 6866 PWs) bands (ev): -40.5527 -40.5527 -40.5464 -40.5464 -20.0001 -20.0001 -19.7372 -19.7372 -11.0242 -11.0242 -10.9271 -10.9271 -3.8115 -3.8115 -3.2457 -3.2457 -2.2594 -2.2594 -2.1660 -2.1660 -1.6159 -1.6159 -1.5901 -1.5901 2.0877 2.0877 2.9190 2.9190 2.9424 2.9424 3.2256 3.2256 9.7585 9.7585 9.9605 9.9605 11.9261 11.9261 k = 0.2593-0.0000-0.0000 ( 6862 PWs) bands (ev): -40.5523 -40.5523 -40.5462 -40.5462 -19.9912 -19.9912 -19.7358 -19.7358 -11.0141 -11.0141 -10.9196 -10.9196 -3.8137 -3.8137 -3.2608 -3.2608 -2.2438 -2.2438 -2.1917 -2.1917 -1.6347 -1.6347 -1.6125 -1.6125 2.1036 2.1036 2.8809 2.8809 2.9023 2.9023 3.2088 3.2088 9.7606 9.7606 9.9559 9.9559 11.9777 11.9777 k = 0.2685-0.0000-0.0000 ( 6866 PWs) bands (ev): -40.5518 -40.5518 -40.5459 -40.5459 -19.9822 -19.9822 -19.7344 -19.7344 -11.0039 -11.0039 -10.9122 -10.9122 -3.8159 -3.8159 -3.2769 -3.2769 -2.2306 -2.2306 -2.2132 -2.2132 -1.6705 -1.6705 -1.6178 -1.6178 2.1199 2.1199 2.8433 2.8433 2.8626 2.8626 3.1915 3.1915 9.7627 9.7627 9.9512 9.9512 12.0294 12.0294 k = 0.2778-0.0000-0.0000 ( 6868 PWs) bands (ev): -40.5514 -40.5514 -40.5457 -40.5457 -19.9731 -19.9731 -19.7333 -19.7333 -10.9937 -10.9937 -10.9049 -10.9049 -3.8180 -3.8180 -3.2941 -3.2941 -2.2421 -2.2421 -2.2081 -2.2081 -1.7076 -1.7076 -1.6218 -1.6218 2.1367 2.1367 2.8061 2.8061 2.8234 2.8234 3.1737 3.1737 9.7646 9.7646 9.9462 9.9462 12.0811 12.0811 k = 0.2870-0.0000-0.0000 ( 6864 PWs) bands (ev): -40.5510 -40.5510 -40.5455 -40.5455 -19.9639 -19.9639 -19.7322 -19.7322 -10.9835 -10.9835 -10.8976 -10.8976 -3.8201 -3.8201 -3.3122 -3.3122 -2.2624 -2.2624 -2.1923 -2.1923 -1.7443 -1.7443 -1.6259 -1.6259 2.1540 2.1540 2.7695 2.7695 2.7849 2.7849 3.1554 3.1554 9.7665 9.7665 9.9411 9.9411 12.1327 12.1327 k = 0.2963-0.0000-0.0000 ( 6866 PWs) bands (ev): -40.5506 -40.5506 -40.5453 -40.5453 -19.9547 -19.9547 -19.7314 -19.7314 -10.9734 -10.9734 -10.8905 -10.8905 -3.8221 -3.8221 -3.3312 -3.3312 -2.2817 -2.2817 -2.1758 -2.1758 -1.7804 -1.7804 -1.6302 -1.6302 2.1717 2.1717 2.7336 2.7336 2.7473 2.7473 3.1367 3.1367 9.7684 9.7684 9.9359 9.9359 12.1843 12.1843 k = 0.3056-0.0000-0.0000 ( 6864 PWs) bands (ev): -40.5502 -40.5502 -40.5451 -40.5451 -19.9455 -19.9455 -19.7307 -19.7307 -10.9633 -10.9633 -10.8836 -10.8836 -3.8240 -3.8240 -3.3511 -3.3511 -2.2993 -2.2993 -2.1589 -2.1589 -1.8158 -1.8158 -1.6348 -1.6348 2.1899 2.1899 2.6986 2.6986 2.7105 2.7105 3.1175 3.1175 9.7701 9.7701 9.9305 9.9305 12.2356 12.2356 k = 0.3148-0.0000-0.0000 ( 6868 PWs) bands (ev): -40.5498 -40.5498 -40.5449 -40.5449 -19.9362 -19.9362 -19.7302 -19.7302 -10.9534 -10.9534 -10.8768 -10.8768 -3.8257 -3.8257 -3.3717 -3.3717 -2.3152 -2.3152 -2.1420 -2.1420 -1.8504 -1.8504 -1.6398 -1.6398 2.2085 2.2085 2.6644 2.6644 2.6747 2.6747 3.0979 3.0979 9.7719 9.7719 9.9250 9.9250 12.2869 12.2869 k = 0.3241-0.0000-0.0000 ( 6868 PWs) bands (ev): -40.5494 -40.5494 -40.5448 -40.5448 -19.9270 -19.9270 -19.7299 -19.7299 -10.9436 -10.9436 -10.8703 -10.8703 -3.8272 -3.8272 -3.3929 -3.3929 -2.3293 -2.3293 -2.1249 -2.1249 -1.8841 -1.8841 -1.6452 -1.6452 2.2275 2.2275 2.6313 2.6313 2.6401 2.6401 3.0779 3.0779 9.7735 9.7735 9.9193 9.9193 12.3379 12.3379 k = 0.3333-0.0000-0.0000 ( 6876 PWs) bands (ev): -40.5490 -40.5490 -40.5446 -40.5446 -19.9178 -19.9178 -19.7299 -19.7299 -10.9340 -10.9340 -10.8640 -10.8640 -3.8284 -3.8284 -3.4146 -3.4146 -2.3416 -2.3416 -2.1079 -2.1079 -1.9169 -1.9169 -1.6509 -1.6509 2.2470 2.2470 2.5993 2.5993 2.6067 2.6067 3.0575 3.0575 9.7752 9.7752 9.9136 9.9136 12.3887 12.3887 k = 0.3426-0.0000-0.0000 ( 6888 PWs) bands (ev): -40.5486 -40.5486 -40.5444 -40.5444 -19.9087 -19.9087 -19.7301 -19.7301 -10.9246 -10.9246 -10.8580 -10.8580 -3.8294 -3.8294 -3.4366 -3.4366 -2.3523 -2.3523 -2.0909 -2.0909 -1.9486 -1.9486 -1.6571 -1.6571 2.2667 2.2667 2.5685 2.5685 2.5746 2.5746 3.0367 3.0367 9.7768 9.7768 9.9078 9.9078 12.4393 12.4393 k = 0.3519-0.0000-0.0000 ( 6894 PWs) bands (ev): -40.5482 -40.5482 -40.5443 -40.5443 -19.8996 -19.8996 -19.7306 -19.7306 -10.9154 -10.9154 -10.8524 -10.8524 -3.8300 -3.8300 -3.4589 -3.4589 -2.3613 -2.3613 -2.0739 -2.0739 -1.9793 -1.9793 -1.6637 -1.6637 2.2869 2.2869 2.5390 2.5390 2.5440 2.5440 3.0156 3.0156 9.7785 9.7785 9.9020 9.9020 12.4897 12.4897 k = 0.3611-0.0000-0.0000 ( 6890 PWs) bands (ev): -40.5479 -40.5479 -40.5441 -40.5441 -19.8906 -19.8906 -19.7313 -19.7313 -10.9064 -10.9064 -10.8470 -10.8470 -3.8303 -3.8303 -3.4813 -3.4813 -2.3686 -2.3686 -2.0573 -2.0573 -2.0087 -2.0087 -1.6707 -1.6707 2.3073 2.3073 2.5109 2.5109 2.5148 2.5148 2.9942 2.9942 9.7801 9.7801 9.8961 9.8961 12.5400 12.5400 k = 0.3704-0.0000-0.0000 ( 6878 PWs) bands (ev): -40.5475 -40.5475 -40.5440 -40.5440 -19.8817 -19.8817 -19.7323 -19.7323 -10.8978 -10.8978 -10.8420 -10.8420 -3.8301 -3.8301 -3.5036 -3.5036 -2.3744 -2.3744 -2.0446 -2.0446 -2.0330 -2.0330 -1.6781 -1.6781 2.3281 2.3281 2.4841 2.4841 2.4873 2.4873 2.9724 2.9724 9.7819 9.7819 9.8903 9.8903 12.5901 12.5901 k = 0.3796-0.0000-0.0000 ( 6872 PWs) bands (ev): -40.5472 -40.5472 -40.5439 -40.5439 -19.8730 -19.8730 -19.7335 -19.7335 -10.8895 -10.8895 -10.8374 -10.8374 -3.8295 -3.8295 -3.5257 -3.5257 -2.3787 -2.3787 -2.0662 -2.0662 -2.0221 -2.0221 -1.6859 -1.6859 2.3490 2.3490 2.4589 2.4589 2.4617 2.4617 2.9503 2.9503 9.7836 9.7836 9.8844 9.8844 12.6402 12.6402 k = 0.3889-0.0000-0.0000 ( 6872 PWs) bands (ev): -40.5468 -40.5468 -40.5438 -40.5438 -19.8644 -19.8644 -19.7351 -19.7351 -10.8815 -10.8815 -10.8332 -10.8332 -3.8283 -3.8283 -3.5476 -3.5476 -2.3816 -2.3816 -2.0922 -2.0922 -2.0059 -2.0059 -1.6941 -1.6941 2.3697 2.3697 2.4353 2.4353 2.4382 2.4382 2.9280 2.9280 9.7854 9.7854 9.8786 9.8786 12.6901 12.6901 k = 0.3981-0.0000-0.0000 ( 6866 PWs) bands (ev): -40.5465 -40.5465 -40.5437 -40.5437 -19.8560 -19.8560 -19.7370 -19.7370 -10.8739 -10.8739 -10.8294 -10.8294 -3.8265 -3.8265 -3.5691 -3.5691 -2.3831 -2.3831 -2.1173 -2.1173 -1.9895 -1.9895 -1.7028 -1.7028 2.3883 2.3883 2.4132 2.4132 2.4189 2.4189 2.9054 2.9054 9.7874 9.7874 9.8729 9.8729 12.7400 12.7400 k = 0.4074-0.0000-0.0000 ( 6860 PWs) bands (ev): -40.5462 -40.5462 -40.5437 -40.5437 -19.8477 -19.8477 -19.7391 -19.7391 -10.8667 -10.8667 -10.8261 -10.8261 -3.8241 -3.8241 -3.5900 -3.5900 -2.3832 -2.3832 -2.1413 -2.1413 -1.9733 -1.9733 -1.7119 -1.7119 2.3882 2.3882 2.3927 2.3927 2.4205 2.4205 2.8826 2.8826 9.7894 9.7894 9.8672 9.8672 12.7899 12.7899 k = 0.4167-0.0000-0.0000 ( 6864 PWs) bands (ev): -40.5459 -40.5459 -40.5436 -40.5436 -19.8397 -19.8397 -19.7416 -19.7416 -10.8599 -10.8599 -10.8232 -10.8232 -3.8210 -3.8210 -3.6103 -3.6103 -2.3820 -2.3820 -2.1641 -2.1641 -1.9573 -1.9573 -1.7214 -1.7214 2.3722 2.3722 2.3741 2.3741 2.4401 2.4401 2.8597 2.8597 9.7915 9.7915 9.8616 9.8616 12.8399 12.8399 k = 0.4259-0.0000-0.0000 ( 6876 PWs) bands (ev): -40.5456 -40.5456 -40.5436 -40.5436 -19.8318 -19.8318 -19.7444 -19.7444 -10.8535 -10.8535 -10.8208 -10.8208 -3.8171 -3.8171 -3.6299 -3.6299 -2.3796 -2.3796 -2.1858 -2.1858 -1.9414 -1.9414 -1.7313 -1.7313 2.3560 2.3560 2.3574 2.3574 2.4620 2.4620 2.8365 2.8365 9.7938 9.7938 9.8562 9.8562 12.8900 12.8900 k = 0.4352-0.0000-0.0000 ( 6878 PWs) bands (ev): -40.5454 -40.5454 -40.5436 -40.5436 -19.8242 -19.8242 -19.7475 -19.7475 -10.8476 -10.8476 -10.8189 -10.8189 -3.8125 -3.8125 -3.6488 -3.6488 -2.3760 -2.3760 -2.2064 -2.2064 -1.9259 -1.9259 -1.7416 -1.7416 2.3412 2.3412 2.3425 2.3425 2.4844 2.4844 2.8132 2.8132 9.7963 9.7963 9.8508 9.8508 12.9402 12.9402 k = 0.4444-0.0000-0.0000 ( 6882 PWs) bands (ev): -40.5451 -40.5451 -40.5436 -40.5436 -19.8169 -19.8169 -19.7510 -19.7510 -10.8422 -10.8422 -10.8175 -10.8175 -3.8071 -3.8071 -3.6668 -3.6668 -2.3712 -2.3712 -2.2258 -2.2258 -1.9106 -1.9106 -1.7524 -1.7524 2.3283 2.3283 2.3294 2.3294 2.5073 2.5073 2.7897 2.7897 9.7989 9.7989 9.8457 9.8457 12.9907 12.9907 k = 0.4537-0.0000-0.0000 ( 6870 PWs) bands (ev): -40.5449 -40.5449 -40.5436 -40.5436 -19.8098 -19.8098 -19.7547 -19.7547 -10.8372 -10.8372 -10.8166 -10.8166 -3.8007 -3.8007 -3.6839 -3.6839 -2.3652 -2.3652 -2.2441 -2.2441 -1.8955 -1.8955 -1.7635 -1.7635 2.3173 2.3173 2.3183 2.3183 2.5303 2.5303 2.7662 2.7662 9.8017 9.8017 9.8407 9.8407 13.0414 13.0414 k = 0.4630-0.0000-0.0000 ( 6872 PWs) bands (ev): -40.5447 -40.5447 -40.5437 -40.5437 -19.8029 -19.8029 -19.7588 -19.7588 -10.8328 -10.8328 -10.8162 -10.8162 -3.7935 -3.7935 -3.7001 -3.7001 -2.3581 -2.3581 -2.2612 -2.2612 -1.8808 -1.8808 -1.7750 -1.7750 2.3083 2.3083 2.3092 2.3092 2.5536 2.5536 2.7426 2.7426 9.8046 9.8046 9.8359 9.8359 13.0925 13.0925 k = 0.4722-0.0000-0.0000 ( 6876 PWs) bands (ev): -40.5445 -40.5445 -40.5437 -40.5437 -19.7963 -19.7963 -19.7632 -19.7632 -10.8288 -10.8288 -10.8164 -10.8164 -3.7853 -3.7853 -3.7153 -3.7153 -2.3499 -2.3499 -2.2772 -2.2772 -1.8663 -1.8663 -1.7870 -1.7870 2.3013 2.3013 2.3020 2.3020 2.5770 2.5770 2.7189 2.7189 9.8078 9.8078 9.8312 9.8312 13.1440 13.1440 k = 0.4815-0.0000-0.0000 ( 6868 PWs) bands (ev): -40.5443 -40.5443 -40.5438 -40.5438 -19.7901 -19.7901 -19.7680 -19.7680 -10.8254 -10.8254 -10.8171 -10.8171 -3.7762 -3.7762 -3.7295 -3.7295 -2.3406 -2.3406 -2.2921 -2.2921 -1.8522 -1.8522 -1.7993 -1.7993 2.2963 2.2963 2.2968 2.2968 2.6005 2.6005 2.6952 2.6952 9.8112 9.8112 9.8268 9.8268 13.1959 13.1959 k = 0.4907-0.0000-0.0000 ( 6874 PWs) bands (ev): -40.5442 -40.5442 -40.5439 -40.5439 -19.7841 -19.7841 -19.7730 -19.7730 -10.8226 -10.8226 -10.8184 -10.8184 -3.7660 -3.7660 -3.7427 -3.7427 -2.3301 -2.3301 -2.3059 -2.3059 -1.8385 -1.8385 -1.8120 -1.8120 2.2934 2.2934 2.2936 2.2936 2.6241 2.6241 2.6714 2.6714 9.8148 9.8148 9.8226 9.8226 13.2483 13.2483 k = 0.5000-0.0000-0.0000 ( 6874 PWs) bands (ev): -40.5440 -40.5440 -40.5440 -40.5440 -19.7784 -19.7784 -19.7784 -19.7784 -10.8202 -10.8202 -10.8202 -10.8202 -3.7548 -3.7548 -3.7548 -3.7548 -2.3185 -2.3185 -2.3185 -2.3185 -1.8251 -1.8251 -1.8251 -1.8251 2.2925 2.2925 2.2925 2.2925 2.6477 2.6477 2.6477 2.6477 9.8186 9.8186 9.8186 9.8186 13.3013 13.3013 k = 0.5000-0.0000-0.0000 ( 6874 PWs) bands (ev): -40.5440 -40.5440 -40.5440 -40.5440 -19.7784 -19.7784 -19.7784 -19.7784 -10.8202 -10.8202 -10.8202 -10.8202 -3.7548 -3.7548 -3.7548 -3.7548 -2.3185 -2.3185 -2.3185 -2.3185 -1.8251 -1.8251 -1.8251 -1.8251 2.2925 2.2925 2.2925 2.2925 2.6477 2.6477 2.6477 2.6477 9.8186 9.8186 9.8186 9.8186 13.3013 13.3013 k = 0.5000 0.0093-0.0000 ( 6874 PWs) bands (ev): -40.5440 -40.5440 -40.5440 -40.5440 -19.7783 -19.7783 -19.7783 -19.7783 -10.8206 -10.8206 -10.8206 -10.8206 -3.7544 -3.7544 -3.7542 -3.7542 -2.3190 -2.3190 -2.3189 -2.3189 -1.8254 -1.8254 -1.8251 -1.8251 2.2920 2.2920 2.2926 2.2926 2.6485 2.6485 2.6491 2.6491 9.8182 9.8182 9.8185 9.8185 13.3029 13.3030 k = 0.5000 0.0185-0.0000 ( 6872 PWs) bands (ev): -40.5440 -40.5440 -40.5440 -40.5440 -19.7781 -19.7781 -19.7781 -19.7781 -10.8218 -10.8218 -10.8217 -10.8217 -3.7527 -3.7527 -3.7524 -3.7524 -2.3202 -2.3202 -2.3199 -2.3199 -1.8262 -1.8262 -1.8256 -1.8256 2.2912 2.2912 2.2924 2.2924 2.6513 2.6513 2.6526 2.6526 9.8174 9.8174 9.8179 9.8179 13.3079 13.3080 k = 0.5000 0.0278-0.0000 ( 6884 PWs) bands (ev): -40.5440 -40.5440 -40.5440 -40.5440 -19.7778 -19.7778 -19.7778 -19.7778 -10.8237 -10.8237 -10.8237 -10.8237 -3.7499 -3.7499 -3.7494 -3.7494 -2.3221 -2.3221 -2.3217 -2.3217 -1.8274 -1.8274 -1.8264 -1.8264 2.2901 2.2901 2.2919 2.2919 2.6562 2.6562 2.6582 2.6582 9.8161 9.8161 9.8169 9.8169 13.3162 13.3163 k = 0.5000 0.0371-0.0000 ( 6888 PWs) bands (ev): -40.5440 -40.5440 -40.5440 -40.5440 -19.7773 -19.7773 -19.7773 -19.7773 -10.8263 -10.8263 -10.8263 -10.8263 -3.7460 -3.7460 -3.7453 -3.7453 -2.3248 -2.3248 -2.3243 -2.3243 -1.8290 -1.8290 -1.8277 -1.8277 2.2887 2.2887 2.2910 2.2910 2.6632 2.6632 2.6658 2.6658 9.8143 9.8143 9.8155 9.8155 13.3279 13.3280 k = 0.5000 0.0464-0.0000 ( 6880 PWs) bands (ev): -40.5440 -40.5440 -40.5440 -40.5440 -19.7768 -19.7768 -19.7767 -19.7767 -10.8297 -10.8297 -10.8297 -10.8297 -3.7409 -3.7409 -3.7401 -3.7401 -2.3283 -2.3283 -2.3277 -2.3277 -1.8309 -1.8309 -1.8293 -1.8293 2.2870 2.2870 2.2898 2.2898 2.6723 2.6723 2.6755 2.6755 9.8122 9.8122 9.8136 9.8136 13.3427 13.3429 k = 0.5000 0.0556-0.0000 ( 6880 PWs) bands (ev): -40.5440 -40.5440 -40.5440 -40.5440 -19.7760 -19.7760 -19.7760 -19.7760 -10.8338 -10.8338 -10.8338 -10.8338 -3.7346 -3.7346 -3.7337 -3.7337 -2.3325 -2.3325 -2.3318 -2.3318 -1.8333 -1.8333 -1.8314 -1.8314 2.2850 2.2850 2.2883 2.2883 2.6834 2.6834 2.6871 2.6871 9.8095 9.8095 9.8112 9.8112 13.3608 13.3610 k = 0.5000 0.0649-0.0000 ( 6880 PWs) bands (ev): -40.5440 -40.5440 -40.5440 -40.5440 -19.7752 -19.7752 -19.7752 -19.7752 -10.8386 -10.8386 -10.8386 -10.8386 -3.7273 -3.7273 -3.7262 -3.7262 -2.3375 -2.3375 -2.3367 -2.3367 -1.8361 -1.8361 -1.8338 -1.8338 2.2828 2.2828 2.2865 2.2865 2.6964 2.6964 2.7006 2.7006 9.8065 9.8065 9.8084 9.8084 13.3820 13.3822 k = 0.5000 0.0742-0.0000 ( 6880 PWs) bands (ev): -40.5440 -40.5440 -40.5440 -40.5440 -19.7743 -19.7743 -19.7742 -19.7742 -10.8440 -10.8440 -10.8440 -10.8440 -3.7188 -3.7188 -3.7175 -3.7175 -2.3434 -2.3434 -2.3423 -2.3423 -1.8392 -1.8392 -1.8365 -1.8365 2.2804 2.2804 2.2844 2.2844 2.7113 2.7113 2.7160 2.7160 9.8030 9.8030 9.8052 9.8052 13.4063 13.4064 k = 0.5000 0.0834-0.0000 ( 6880 PWs) bands (ev): -40.5440 -40.5440 -40.5440 -40.5440 -19.7732 -19.7732 -19.7732 -19.7732 -10.8501 -10.8501 -10.8500 -10.8500 -3.7093 -3.7093 -3.7078 -3.7078 -2.3500 -2.3500 -2.3488 -2.3488 -1.8427 -1.8427 -1.8396 -1.8396 2.2777 2.2777 2.2821 2.2821 2.7281 2.7281 2.7332 2.7332 9.7991 9.7991 9.8016 9.8016 13.4335 13.4337 k = 0.5000 0.0927-0.0000 ( 6880 PWs) bands (ev): -40.5440 -40.5440 -40.5440 -40.5440 -19.7720 -19.7720 -19.7720 -19.7720 -10.8567 -10.8567 -10.8566 -10.8566 -3.6986 -3.6986 -3.6970 -3.6970 -2.3575 -2.3575 -2.3562 -2.3562 -1.8465 -1.8465 -1.8430 -1.8430 2.2749 2.2749 2.2796 2.2796 2.7466 2.7466 2.7520 2.7520 9.7947 9.7947 9.7975 9.7975 13.4636 13.4638 k = 0.5000 0.1020-0.0000 ( 6872 PWs) bands (ev): -40.5440 -40.5440 -40.5440 -40.5440 -19.7708 -19.7708 -19.7708 -19.7708 -10.8638 -10.8638 -10.8638 -10.8638 -3.6869 -3.6869 -3.6851 -3.6851 -2.3659 -2.3659 -2.3643 -2.3643 -1.8506 -1.8506 -1.8467 -1.8467 2.2719 2.2719 2.2769 2.2769 2.7668 2.7668 2.7726 2.7726 9.7900 9.7900 9.7930 9.7930 13.4964 13.4967 k = 0.5000 0.1113-0.0000 ( 6862 PWs) bands (ev): -40.5440 -40.5440 -40.5440 -40.5440 -19.7694 -19.7694 -19.7694 -19.7694 -10.8715 -10.8715 -10.8714 -10.8714 -3.6741 -3.6741 -3.6721 -3.6721 -2.3751 -2.3751 -2.3734 -2.3734 -1.8550 -1.8550 -1.8507 -1.8507 2.2687 2.2687 2.2740 2.2740 2.7885 2.7885 2.7946 2.7946 9.7848 9.7848 9.7881 9.7881 13.5319 13.5322 k = 0.5000 0.1205-0.0000 ( 6862 PWs) bands (ev): -40.5439 -40.5439 -40.5439 -40.5439 -19.7680 -19.7680 -19.7680 -19.7680 -10.8795 -10.8795 -10.8795 -10.8795 -3.6602 -3.6602 -3.6581 -3.6581 -2.3852 -2.3852 -2.3833 -2.3833 -1.8596 -1.8596 -1.8549 -1.8549 2.2654 2.2654 2.2710 2.2710 2.8118 2.8118 2.8182 2.8182 9.7793 9.7793 9.7828 9.7828 13.5699 13.5703 k = 0.5000 0.1298-0.0000 ( 6856 PWs) bands (ev): -40.5439 -40.5439 -40.5439 -40.5439 -19.7665 -19.7665 -19.7665 -19.7665 -10.8880 -10.8880 -10.8879 -10.8879 -3.6453 -3.6453 -3.6431 -3.6431 -2.3962 -2.3962 -2.3941 -2.3941 -1.8645 -1.8645 -1.8594 -1.8594 2.2620 2.2620 2.2678 2.2678 2.8363 2.8363 2.8430 2.8430 9.7734 9.7734 9.7771 9.7771 13.6104 13.6106 k = 0.5000 0.1391-0.0000 ( 6848 PWs) bands (ev): -40.5439 -40.5439 -40.5439 -40.5439 -19.7650 -19.7650 -19.7650 -19.7650 -10.8968 -10.8968 -10.8967 -10.8967 -3.6295 -3.6295 -3.6271 -3.6271 -2.4082 -2.4082 -2.4058 -2.4058 -1.8695 -1.8695 -1.8640 -1.8640 2.2585 2.2585 2.2645 2.2645 2.8622 2.8622 2.8691 2.8691 9.7671 9.7671 9.7711 9.7711 13.6531 13.6534 k = 0.5000 0.1483-0.0000 ( 6856 PWs) bands (ev): -40.5439 -40.5439 -40.5439 -40.5439 -19.7634 -19.7634 -19.7633 -19.7633 -10.9058 -10.9058 -10.9057 -10.9057 -3.6126 -3.6126 -3.6101 -3.6101 -2.4210 -2.4210 -2.4185 -2.4185 -1.8747 -1.8747 -1.8687 -1.8687 2.2549 2.2549 2.2611 2.2611 2.8891 2.8891 2.8962 2.8962 9.7605 9.7605 9.7647 9.7647 13.6979 13.6981 k = 0.5000 0.1576-0.0000 ( 6858 PWs) bands (ev): -40.5439 -40.5439 -40.5439 -40.5439 -19.7617 -19.7617 -19.7617 -19.7617 -10.9151 -10.9151 -10.9150 -10.9150 -3.5948 -3.5948 -3.5921 -3.5921 -2.4349 -2.4349 -2.4321 -2.4321 -1.8800 -1.8800 -1.8736 -1.8736 2.2513 2.2513 2.2576 2.2576 2.9170 2.9170 2.9243 2.9243 9.7535 9.7535 9.7579 9.7579 13.7445 13.7446 k = 0.5000 0.1669-0.0000 ( 6858 PWs) bands (ev): -40.5439 -40.5439 -40.5439 -40.5439 -19.7600 -19.7600 -19.7600 -19.7600 -10.9245 -10.9245 -10.9244 -10.9244 -3.5761 -3.5761 -3.5732 -3.5732 -2.4496 -2.4496 -2.4467 -2.4467 -1.8853 -1.8853 -1.8785 -1.8785 2.2476 2.2476 2.2541 2.2541 2.9458 2.9458 2.9533 2.9533 9.7463 9.7463 9.7509 9.7509 13.7929 13.7931 k = 0.5000 0.1762-0.0000 ( 6852 PWs) bands (ev): -40.5439 -40.5439 -40.5439 -40.5439 -19.7583 -19.7583 -19.7583 -19.7583 -10.9340 -10.9340 -10.9339 -10.9339 -3.5565 -3.5565 -3.5534 -3.5534 -2.4654 -2.4654 -2.4622 -2.4622 -1.8907 -1.8907 -1.8834 -1.8834 2.2440 2.2440 2.2505 2.2505 2.9752 2.9752 2.9828 2.9828 9.7387 9.7387 9.7436 9.7436 13.8429 13.8432 k = 0.5000 0.1854-0.0000 ( 6860 PWs) bands (ev): -40.5439 -40.5439 -40.5439 -40.5439 -19.7566 -19.7566 -19.7566 -19.7566 -10.9436 -10.9436 -10.9434 -10.9434 -3.5360 -3.5360 -3.5327 -3.5327 -2.4821 -2.4821 -2.4788 -2.4788 -1.8961 -1.8961 -1.8884 -1.8884 2.2403 2.2403 2.2470 2.2470 3.0051 3.0051 3.0129 3.0129 9.7309 9.7309 9.7360 9.7360 13.8944 13.8946 k = 0.5000 0.1947-0.0000 ( 6864 PWs) bands (ev): -40.5439 -40.5439 -40.5439 -40.5439 -19.7549 -19.7549 -19.7548 -19.7548 -10.9531 -10.9531 -10.9530 -10.9530 -3.5146 -3.5146 -3.5112 -3.5112 -2.4998 -2.4998 -2.4963 -2.4963 -1.9014 -1.9014 -1.8932 -1.8932 2.2366 2.2366 2.2434 2.2434 3.0353 3.0353 3.0432 3.0432 9.7229 9.7229 9.7282 9.7282 13.9469 13.9472 k = 0.5000 0.2040-0.0000 ( 6864 PWs) bands (ev): -40.5438 -40.5438 -40.5438 -40.5438 -19.7531 -19.7531 -19.7531 -19.7531 -10.9625 -10.9625 -10.9624 -10.9624 -3.4925 -3.4925 -3.4889 -3.4889 -2.5184 -2.5184 -2.5148 -2.5148 -1.9066 -1.9066 -1.8980 -1.8980 2.2330 2.2330 2.2399 2.2399 3.0657 3.0657 3.0737 3.0737 9.7148 9.7148 9.7202 9.7202 14.0004 14.0007 k = 0.5000 0.2132-0.0000 ( 6868 PWs) bands (ev): -40.5438 -40.5438 -40.5438 -40.5438 -19.7515 -19.7515 -19.7514 -19.7514 -10.9719 -10.9719 -10.9717 -10.9717 -3.4696 -3.4696 -3.4658 -3.4658 -2.5380 -2.5380 -2.5342 -2.5342 -1.9116 -1.9116 -1.9027 -1.9027 2.2294 2.2294 2.2364 2.2364 3.0960 3.0960 3.1041 3.1041 9.7065 9.7065 9.7120 9.7120 14.0547 14.0550 k = 0.5000 0.2225-0.0000 ( 6870 PWs) bands (ev): -40.5438 -40.5438 -40.5438 -40.5438 -19.7498 -19.7498 -19.7498 -19.7498 -10.9810 -10.9810 -10.9809 -10.9809 -3.4459 -3.4459 -3.4420 -3.4420 -2.5585 -2.5585 -2.5546 -2.5546 -1.9166 -1.9166 -1.9073 -1.9073 2.2259 2.2259 2.2330 2.2330 3.1260 3.1260 3.1343 3.1343 9.6981 9.6981 9.7038 9.7038 14.1095 14.1096 k = 0.5000 0.2318-0.0000 ( 6870 PWs) bands (ev): -40.5438 -40.5438 -40.5438 -40.5438 -19.7482 -19.7482 -19.7481 -19.7481 -10.9899 -10.9899 -10.9897 -10.9897 -3.4216 -3.4216 -3.4175 -3.4175 -2.5799 -2.5799 -2.5758 -2.5758 -1.9213 -1.9213 -1.9116 -1.9116 2.2226 2.2226 2.2298 2.2298 3.1556 3.1556 3.1640 3.1640 9.6897 9.6897 9.6956 9.6956 14.1644 14.1645 k = 0.5000 0.2411-0.0000 ( 6882 PWs) bands (ev): -40.5438 -40.5438 -40.5438 -40.5438 -19.7466 -19.7466 -19.7466 -19.7466 -10.9985 -10.9985 -10.9983 -10.9983 -3.3966 -3.3966 -3.3924 -3.3924 -2.6021 -2.6021 -2.5980 -2.5980 -1.9258 -1.9258 -1.9158 -1.9158 2.2193 2.2193 2.2266 2.2266 3.1845 3.1845 3.1931 3.1931 9.6813 9.6813 9.6874 9.6874 14.2191 14.2194 k = 0.5000 0.2503-0.0000 ( 6880 PWs) bands (ev): -40.5438 -40.5438 -40.5438 -40.5438 -19.7451 -19.7451 -19.7451 -19.7451 -11.0067 -11.0067 -11.0066 -11.0066 -3.3711 -3.3711 -3.3666 -3.3666 -2.6252 -2.6252 -2.6210 -2.6210 -1.9300 -1.9300 -1.9198 -1.9198 2.2162 2.2162 2.2235 2.2235 3.2126 3.2126 3.2212 3.2212 9.6731 9.6731 9.6793 9.6793 14.2735 14.2737 k = 0.5000 0.2596-0.0000 ( 6880 PWs) bands (ev): -40.5438 -40.5438 -40.5438 -40.5438 -19.7436 -19.7436 -19.7436 -19.7436 -11.0145 -11.0145 -11.0144 -11.0144 -3.3449 -3.3449 -3.3403 -3.3403 -2.6490 -2.6490 -2.6447 -2.6447 -1.9341 -1.9341 -1.9235 -1.9235 2.2132 2.2132 2.2206 2.2206 3.2397 3.2397 3.2483 3.2483 9.6650 9.6650 9.6714 9.6714 14.3271 14.3272 k = 0.5000 0.2689-0.0000 ( 6872 PWs) bands (ev): -40.5438 -40.5438 -40.5438 -40.5438 -19.7423 -19.7423 -19.7422 -19.7422 -11.0219 -11.0219 -11.0218 -11.0218 -3.3184 -3.3184 -3.3135 -3.3135 -2.6735 -2.6735 -2.6692 -2.6692 -1.9378 -1.9378 -1.9270 -1.9270 2.2104 2.2104 2.2179 2.2179 3.2654 3.2654 3.2742 3.2742 9.6572 9.6572 9.6637 9.6637 14.3793 14.3797 k = 0.5000 0.2782-0.0000 ( 6872 PWs) bands (ev): -40.5438 -40.5438 -40.5438 -40.5438 -19.7410 -19.7410 -19.7410 -19.7410 -11.0288 -11.0288 -11.0287 -11.0287 -3.2914 -3.2914 -3.2863 -3.2863 -2.6986 -2.6986 -2.6944 -2.6944 -1.9412 -1.9412 -1.9302 -1.9302 2.2078 2.2078 2.2153 2.2153 3.2897 3.2897 3.2985 3.2985 9.6497 9.6497 9.6563 9.6563 14.4299 14.4303 k = 0.5000 0.2874-0.0000 ( 6876 PWs) bands (ev): -40.5438 -40.5438 -40.5438 -40.5438 -19.7398 -19.7398 -19.7398 -19.7398 -11.0352 -11.0352 -11.0350 -11.0350 -3.2640 -3.2640 -3.2587 -3.2587 -2.7243 -2.7243 -2.7201 -2.7201 -1.9444 -1.9444 -1.9331 -1.9331 2.2053 2.2053 2.2129 2.2129 3.3123 3.3123 3.3213 3.3213 9.6426 9.6426 9.6493 9.6493 14.4785 14.4788 k = 0.5000 0.2967-0.0000 ( 6880 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7387 -19.7387 -19.7387 -19.7387 -11.0409 -11.0409 -11.0408 -11.0408 -3.2364 -3.2364 -3.2309 -3.2309 -2.7504 -2.7504 -2.7464 -2.7464 -1.9472 -1.9472 -1.9357 -1.9357 2.2031 2.2031 2.2108 2.2108 3.3331 3.3331 3.3421 3.3421 9.6360 9.6360 9.6428 9.6428 14.5242 14.5248 k = 0.5000 0.3060-0.0000 ( 6880 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7378 -19.7378 -19.7377 -19.7377 -11.0461 -11.0461 -11.0460 -11.0460 -3.2087 -3.2087 -3.2029 -3.2029 -2.7768 -2.7768 -2.7730 -2.7730 -1.9497 -1.9497 -1.9380 -1.9380 2.2011 2.2012 2.2088 2.2088 3.3519 3.3519 3.3610 3.3610 9.6299 9.6299 9.6369 9.6369 14.5670 14.5672 k = 0.5000 0.3152-0.0000 ( 6888 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7369 -19.7369 -19.7369 -19.7369 -11.0507 -11.0507 -11.0506 -11.0506 -3.1811 -3.1811 -3.1749 -3.1749 -2.8034 -2.8034 -2.7998 -2.7998 -1.9519 -1.9519 -1.9401 -1.9401 2.1994 2.1994 2.2071 2.2071 3.3686 3.3686 3.3776 3.3776 9.6245 9.6245 9.6316 9.6316 14.6057 14.6061 k = 0.5000 0.3245-0.0000 ( 6882 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7362 -19.7362 -19.7362 -19.7362 -11.0546 -11.0546 -11.0545 -11.0545 -3.1537 -3.1537 -3.1471 -3.1471 -2.8299 -2.8299 -2.8266 -2.8266 -1.9537 -1.9537 -1.9418 -1.9418 2.1979 2.1979 2.2057 2.2057 3.3829 3.3829 3.3920 3.3920 9.6199 9.6199 9.6270 9.6270 14.6400 14.6402 k = 0.5000 0.3338-0.0000 ( 6882 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7356 -19.7356 -19.7356 -19.7356 -11.0578 -11.0578 -11.0577 -11.0577 -3.1270 -3.1270 -3.1199 -3.1199 -2.8559 -2.8559 -2.8530 -2.8530 -1.9552 -1.9552 -1.9432 -1.9432 2.1967 2.1967 2.2045 2.2045 3.3948 3.3948 3.4039 3.4039 9.6159 9.6159 9.6231 9.6231 14.6690 14.6695 k = 0.5000 0.3431-0.0000 ( 6870 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7351 -19.7351 -19.7351 -19.7351 -11.0604 -11.0604 -11.0602 -11.0602 -3.1017 -3.1017 -3.0940 -3.0940 -2.8806 -2.8806 -2.8783 -2.8783 -1.9564 -1.9564 -1.9443 -1.9443 2.1957 2.1957 2.2035 2.2035 3.4041 3.4041 3.4133 3.4133 9.6128 9.6128 9.6200 9.6200 14.6923 14.6930 k = 0.5000 0.3523-0.0000 ( 6884 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7348 -19.7348 -19.7347 -19.7347 -11.0622 -11.0622 -11.0620 -11.0620 -3.0792 -3.0792 -3.0706 -3.0706 -2.9028 -2.9028 -2.9012 -2.9012 -1.9573 -1.9573 -1.9451 -1.9451 2.1950 2.1950 2.2029 2.2029 3.4109 3.4109 3.4201 3.4201 9.6106 9.6106 9.6178 9.6178 14.7095 14.7101 k = 0.5000 0.3616-0.0000 ( 6880 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7346 -19.7346 -19.7345 -19.7345 -11.0633 -11.0633 -11.0631 -11.0631 -3.0623 -3.0623 -3.0527 -3.0527 -2.9194 -2.9194 -2.9189 -2.9189 -1.9578 -1.9578 -1.9456 -1.9456 2.1946 2.1946 2.2025 2.2025 3.4150 3.4150 3.4242 3.4242 9.6092 9.6092 9.6164 9.6164 14.7201 14.7207 k = 0.5000 0.3709-0.0000 ( 6876 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7345 -19.7345 -19.7345 -19.7345 -11.0636 -11.0636 -11.0635 -11.0635 -3.0557 -3.0557 -3.0456 -3.0456 -2.9259 -2.9259 -2.9259 -2.9259 -1.9579 -1.9579 -1.9458 -1.9458 2.1945 2.1945 2.2023 2.2023 3.4163 3.4163 3.4255 3.4255 9.6087 9.6087 9.6160 9.6160 14.7235 14.7243 k = 0.5000 0.3709-0.0000 ( 6876 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7345 -19.7345 -19.7345 -19.7345 -11.0636 -11.0636 -11.0635 -11.0635 -3.0557 -3.0557 -3.0456 -3.0456 -2.9259 -2.9259 -2.9259 -2.9259 -1.9579 -1.9579 -1.9458 -1.9458 2.1945 2.1945 2.2023 2.2023 3.4163 3.4163 3.4255 3.4255 9.6087 9.6087 9.6160 9.6160 14.7234 14.7241 k = 0.4907 0.3709-0.0000 ( 6864 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7347 -19.7347 -19.7346 -19.7346 -11.0638 -11.0638 -11.0637 -11.0637 -3.0583 -3.0583 -3.0485 -3.0485 -2.9226 -2.9226 -2.9224 -2.9224 -1.9576 -1.9576 -1.9454 -1.9454 2.1954 2.1954 2.2033 2.2033 3.4162 3.4162 3.4254 3.4254 9.6083 9.6083 9.6155 9.6155 14.7238 14.7245 k = 0.4815 0.3709-0.0000 ( 6864 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7352 -19.7352 -19.7352 -19.7352 -11.0643 -11.0643 -11.0641 -11.0641 -3.0656 -3.0656 -3.0563 -3.0563 -2.9135 -2.9135 -2.9127 -2.9127 -1.9566 -1.9566 -1.9444 -1.9444 2.1982 2.1982 2.2061 2.2061 3.4158 3.4158 3.4250 3.4250 9.6069 9.6069 9.6142 9.6142 14.7246 14.7253 k = 0.4722 0.3709-0.0000 ( 6874 PWs) bands (ev): -40.5438 -40.5438 -40.5438 -40.5438 -19.7361 -19.7361 -19.7361 -19.7361 -11.0650 -11.0650 -11.0649 -11.0649 -3.0762 -3.0762 -3.0676 -3.0676 -2.8998 -2.8998 -2.8984 -2.8984 -1.9550 -1.9550 -1.9428 -1.9428 2.2029 2.2029 2.2108 2.2108 3.4151 3.4151 3.4244 3.4244 9.6046 9.6046 9.6118 9.6118 14.7259 14.7263 k = 0.4630 0.3709-0.0000 ( 6878 PWs) bands (ev): -40.5439 -40.5439 -40.5439 -40.5439 -19.7374 -19.7374 -19.7373 -19.7373 -11.0661 -11.0661 -11.0660 -11.0660 -3.0889 -3.0889 -3.0809 -3.0809 -2.8827 -2.8827 -2.8808 -2.8808 -1.9527 -1.9527 -1.9405 -1.9405 2.2094 2.2094 2.2174 2.2174 3.4142 3.4142 3.4235 3.4235 9.6014 9.6014 9.6086 9.6086 14.7273 14.7282 k = 0.4537 0.3709-0.0000 ( 6870 PWs) bands (ev): -40.5439 -40.5439 -40.5439 -40.5439 -19.7390 -19.7390 -19.7389 -19.7389 -11.0675 -11.0675 -11.0673 -11.0673 -3.1029 -3.1029 -3.0953 -3.0953 -2.8631 -2.8631 -2.8607 -2.8607 -1.9498 -1.9498 -1.9377 -1.9377 2.2178 2.2178 2.2258 2.2258 3.4130 3.4130 3.4223 3.4223 9.5972 9.5972 9.6045 9.6045 14.7292 14.7302 k = 0.4444 0.3709-0.0000 ( 6874 PWs) bands (ev): -40.5440 -40.5440 -40.5440 -40.5440 -19.7409 -19.7409 -19.7409 -19.7409 -11.0691 -11.0691 -11.0690 -11.0690 -3.1177 -3.1177 -3.1106 -3.1106 -2.8414 -2.8414 -2.8386 -2.8386 -1.9462 -1.9462 -1.9342 -1.9342 2.2280 2.2280 2.2360 2.2360 3.4116 3.4116 3.4210 3.4210 9.5922 9.5922 9.5994 9.5994 14.7314 14.7320 k = 0.4352 0.3709-0.0000 ( 6886 PWs) bands (ev): -40.5442 -40.5442 -40.5442 -40.5442 -19.7432 -19.7432 -19.7432 -19.7432 -11.0711 -11.0711 -11.0709 -11.0709 -3.1331 -3.1331 -3.1263 -3.1263 -2.8179 -2.8179 -2.8148 -2.8148 -1.9422 -1.9422 -1.9302 -1.9302 2.2400 2.2400 2.2480 2.2480 3.4099 3.4099 3.4193 3.4193 9.5862 9.5862 9.5934 9.5934 14.7330 14.7339 k = 0.4259 0.3709-0.0000 ( 6878 PWs) bands (ev): -40.5443 -40.5443 -40.5443 -40.5443 -19.7458 -19.7458 -19.7458 -19.7458 -11.0733 -11.0733 -11.0732 -11.0732 -3.1488 -3.1488 -3.1423 -3.1423 -2.7927 -2.7927 -2.7894 -2.7894 -1.9376 -1.9376 -1.9256 -1.9256 2.2537 2.2537 2.2618 2.2618 3.4080 3.4080 3.4175 3.4175 9.5793 9.5793 9.5865 9.5865 14.7344 14.7350 k = 0.4167 0.3709-0.0000 ( 6886 PWs) bands (ev): -40.5444 -40.5444 -40.5444 -40.5444 -19.7487 -19.7487 -19.7487 -19.7487 -11.0758 -11.0758 -11.0757 -11.0757 -3.1649 -3.1649 -3.1586 -3.1586 -2.7659 -2.7659 -2.7624 -2.7624 -1.9325 -1.9325 -1.9206 -1.9206 2.2691 2.2691 2.2773 2.2773 3.4058 3.4058 3.4154 3.4154 9.5715 9.5715 9.5786 9.5786 14.7347 14.7359 k = 0.4074 0.3709-0.0000 ( 6884 PWs) bands (ev): -40.5446 -40.5446 -40.5446 -40.5446 -19.7520 -19.7520 -19.7519 -19.7519 -11.0786 -11.0786 -11.0785 -11.0785 -3.1811 -3.1811 -3.1751 -3.1751 -2.7377 -2.7377 -2.7339 -2.7339 -1.9269 -1.9269 -1.9150 -1.9150 2.2862 2.2862 2.2945 2.2945 3.4034 3.4034 3.4131 3.4131 9.5628 9.5628 9.5699 9.5699 14.7340 14.7347 k = 0.3981 0.3709-0.0000 ( 6886 PWs) bands (ev): -40.5448 -40.5448 -40.5448 -40.5448 -19.7555 -19.7555 -19.7555 -19.7555 -11.0816 -11.0816 -11.0815 -11.0815 -3.1976 -3.1976 -3.1918 -3.1918 -2.7079 -2.7079 -2.7040 -2.7040 -1.9209 -1.9209 -1.9091 -1.9091 2.3049 2.3049 2.3133 2.3133 3.4008 3.4008 3.4106 3.4106 9.5532 9.5532 9.5602 9.5602 14.7313 14.7322 k = 0.3889 0.3709-0.0000 ( 6886 PWs) bands (ev): -40.5450 -40.5450 -40.5450 -40.5450 -19.7593 -19.7593 -19.7593 -19.7593 -11.0849 -11.0849 -11.0848 -11.0848 -3.2143 -3.2143 -3.2086 -3.2086 -2.6767 -2.6767 -2.6725 -2.6725 -1.9145 -1.9145 -1.9028 -1.9028 2.3251 2.3251 2.3337 2.3337 3.3980 3.3980 3.4079 3.4079 9.5427 9.5427 9.5497 9.5497 14.7266 14.7277 k = 0.3796 0.3709-0.0000 ( 6886 PWs) bands (ev): -40.5452 -40.5452 -40.5452 -40.5452 -19.7634 -19.7634 -19.7633 -19.7633 -11.0884 -11.0884 -11.0883 -11.0883 -3.2311 -3.2311 -3.2257 -3.2257 -2.6440 -2.6440 -2.6397 -2.6397 -1.9078 -1.9078 -1.8961 -1.8961 2.3469 2.3469 2.3556 2.3556 3.3951 3.3951 3.4051 3.4051 9.5312 9.5312 9.5382 9.5382 14.7178 14.7193 k = 0.3704 0.3709-0.0000 ( 6886 PWs) bands (ev): -40.5454 -40.5454 -40.5454 -40.5454 -19.7677 -19.7677 -19.7677 -19.7677 -11.0921 -11.0921 -11.0920 -11.0920 -3.2480 -3.2480 -3.2428 -3.2428 -2.6099 -2.6099 -2.6055 -2.6055 -1.9008 -1.9008 -1.8891 -1.8891 2.3701 2.3701 2.3789 2.3789 3.3919 3.3919 3.4020 3.4020 9.5189 9.5189 9.5258 9.5258 14.7055 14.7085 k = 0.3611 0.3709-0.0000 ( 6882 PWs) bands (ev): -40.5456 -40.5456 -40.5456 -40.5456 -19.7723 -19.7723 -19.7723 -19.7723 -11.0961 -11.0961 -11.0959 -11.0959 -3.2651 -3.2651 -3.2600 -3.2600 -2.5745 -2.5745 -2.5698 -2.5698 -1.8935 -1.8935 -1.8817 -1.8817 2.3947 2.3947 2.4036 2.4036 3.3886 3.3886 3.3989 3.3989 9.5057 9.5057 9.5125 9.5125 14.6888 14.6890 k = 0.3519 0.3709-0.0000 ( 6888 PWs) bands (ev): -40.5459 -40.5459 -40.5459 -40.5459 -19.7771 -19.7771 -19.7770 -19.7770 -11.1002 -11.1002 -11.1000 -11.1000 -3.2822 -3.2822 -3.2773 -3.2773 -2.5378 -2.5378 -2.5329 -2.5329 -1.8859 -1.8859 -1.8742 -1.8742 2.4205 2.4205 2.4297 2.4297 3.3851 3.3851 3.3956 3.3956 9.4916 9.4916 9.4984 9.4984 14.6670 14.6671 k = 0.3426 0.3709-0.0000 ( 6886 PWs) bands (ev): -40.5462 -40.5462 -40.5462 -40.5462 -19.7821 -19.7821 -19.7820 -19.7820 -11.1045 -11.1045 -11.1044 -11.1044 -3.2994 -3.2994 -3.2947 -3.2947 -2.4999 -2.4999 -2.4948 -2.4948 -1.8781 -1.8781 -1.8663 -1.8663 2.4476 2.4476 2.4569 2.4569 3.3815 3.3815 3.3921 3.3921 9.4766 9.4766 9.4833 9.4833 14.6400 14.6400 k = 0.3333 0.3709-0.0000 ( 6884 PWs) bands (ev): -40.5464 -40.5464 -40.5464 -40.5464 -19.7873 -19.7873 -19.7872 -19.7872 -11.1089 -11.1089 -11.1088 -11.1088 -3.3166 -3.3166 -3.3121 -3.3121 -2.4608 -2.4608 -2.4555 -2.4555 -1.8701 -1.8701 -1.8583 -1.8583 2.4758 2.4758 2.4854 2.4854 3.3778 3.3778 3.3886 3.3886 9.4608 9.4608 9.4674 9.4674 14.6076 14.6077 k = 0.3241 0.3709-0.0000 ( 6888 PWs) bands (ev): -40.5467 -40.5467 -40.5467 -40.5467 -19.7926 -19.7926 -19.7926 -19.7926 -11.1136 -11.1136 -11.1134 -11.1134 -3.3339 -3.3339 -3.3295 -3.3295 -2.4207 -2.4207 -2.4151 -2.4151 -1.8619 -1.8619 -1.8500 -1.8500 2.5050 2.5050 2.5148 2.5148 3.3739 3.3739 3.3850 3.3850 9.4441 9.4441 9.4507 9.4507 14.5703 14.5704 k = 0.3148 0.3709-0.0000 ( 6884 PWs) bands (ev): -40.5470 -40.5470 -40.5470 -40.5470 -19.7981 -19.7981 -19.7981 -19.7981 -11.1183 -11.1183 -11.1182 -11.1182 -3.3511 -3.3511 -3.3469 -3.3469 -2.3797 -2.3797 -2.3737 -2.3737 -1.8534 -1.8534 -1.8414 -1.8414 2.5352 2.5352 2.5453 2.5453 3.3700 3.3700 3.3814 3.3814 9.4266 9.4266 9.4331 9.4331 14.5286 14.5291 k = 0.3056 0.3709-0.0000 ( 6896 PWs) bands (ev): -40.5473 -40.5473 -40.5473 -40.5473 -19.8037 -19.8037 -19.8037 -19.8037 -11.1232 -11.1232 -11.1230 -11.1230 -3.3682 -3.3682 -3.3642 -3.3642 -2.3378 -2.3378 -2.3315 -2.3315 -1.8448 -1.8448 -1.8326 -1.8326 2.5662 2.5662 2.5766 2.5766 3.3661 3.3661 3.3777 3.3777 9.4084 9.4084 9.4147 9.4147 14.4830 14.4832 k = 0.2963 0.3709-0.0000 ( 6888 PWs) bands (ev): -40.5476 -40.5476 -40.5476 -40.5476 -19.8095 -19.8095 -19.8095 -19.8095 -11.1281 -11.1281 -11.1280 -11.1280 -3.3853 -3.3853 -3.3814 -3.3814 -2.2953 -2.2953 -2.2886 -2.2886 -1.8359 -1.8359 -1.8235 -1.8235 2.5980 2.5980 2.6086 2.6086 3.3621 3.3621 3.3741 3.3741 9.3893 9.3893 9.3956 9.3956 14.4343 14.4360 k = 0.2870 0.3709-0.0000 ( 6888 PWs) bands (ev): -40.5479 -40.5479 -40.5479 -40.5479 -19.8153 -19.8153 -19.8153 -19.8153 -11.1332 -11.1332 -11.1331 -11.1331 -3.4022 -3.4022 -3.3985 -3.3985 -2.2523 -2.2523 -2.2452 -2.2452 -1.8268 -1.8268 -1.8141 -1.8141 2.6303 2.6303 2.6414 2.6414 3.3582 3.3582 3.3704 3.3704 9.3695 9.3695 9.3757 9.3757 14.3830 14.3830 k = 0.2778 0.3709-0.0000 ( 6872 PWs) bands (ev): -40.5482 -40.5482 -40.5482 -40.5482 -19.8212 -19.8212 -19.8212 -19.8212 -11.1383 -11.1383 -11.1382 -11.1382 -3.4190 -3.4190 -3.4154 -3.4154 -2.2091 -2.2091 -2.2014 -2.2014 -1.8172 -1.8172 -1.8042 -1.8042 2.6632 2.6632 2.6746 2.6746 3.3542 3.3542 3.3669 3.3669 9.3489 9.3489 9.3550 9.3550 14.3299 14.3301 k = 0.2685 0.3709-0.0000 ( 6860 PWs) bands (ev): -40.5485 -40.5485 -40.5485 -40.5485 -19.8272 -19.8272 -19.8271 -19.8271 -11.1434 -11.1434 -11.1433 -11.1433 -3.4355 -3.4355 -3.4321 -3.4321 -2.1659 -2.1659 -2.1577 -2.1577 -1.8072 -1.8072 -1.7938 -1.7938 2.6964 2.6964 2.7083 2.7083 3.3504 3.3504 3.3634 3.3634 9.3277 9.3277 9.3337 9.3337 14.2752 14.2753 k = 0.2593 0.3709-0.0000 ( 6860 PWs) bands (ev): -40.5488 -40.5488 -40.5488 -40.5488 -19.8331 -19.8331 -19.8331 -19.8331 -11.1486 -11.1486 -11.1485 -11.1485 -3.4519 -3.4519 -3.4486 -3.4486 -2.1231 -2.1231 -2.1142 -2.1142 -1.7964 -1.7964 -1.7825 -1.7825 2.7299 2.7299 2.7422 2.7422 3.3466 3.3466 3.3600 3.3600 9.3059 9.3059 9.3117 9.3117 14.2196 14.2196 k = 0.2500 0.3709-0.0000 ( 6864 PWs) bands (ev): -40.5491 -40.5491 -40.5491 -40.5491 -19.8391 -19.8391 -19.8391 -19.8391 -11.1538 -11.1538 -11.1537 -11.1537 -3.4680 -3.4680 -3.4648 -3.4648 -2.0810 -2.0810 -2.0714 -2.0714 -1.7847 -1.7847 -1.7703 -1.7703 2.7635 2.7635 2.7763 2.7763 3.3429 3.3429 3.3569 3.3569 9.2834 9.2834 9.2892 9.2892 14.1634 14.1634 k = 0.2407 0.3709-0.0000 ( 6868 PWs) bands (ev): -40.5494 -40.5494 -40.5494 -40.5494 -19.8451 -19.8451 -19.8451 -19.8451 -11.1590 -11.1590 -11.1589 -11.1589 -3.4838 -3.4838 -3.4808 -3.4808 -2.0402 -2.0402 -2.0299 -2.0299 -1.7716 -1.7716 -1.7566 -1.7566 2.7970 2.7970 2.8104 2.8104 3.3395 3.3395 3.3540 3.3540 9.2605 9.2605 9.2661 9.2661 14.1069 14.1069 k = 0.2315 0.3709-0.0000 ( 6868 PWs) bands (ev): -40.5497 -40.5497 -40.5497 -40.5497 -19.8511 -19.8511 -19.8510 -19.8510 -11.1641 -11.1641 -11.1641 -11.1641 -3.4992 -3.4992 -3.4964 -3.4964 -2.0014 -2.0014 -1.9904 -1.9904 -1.7565 -1.7565 -1.7410 -1.7410 2.8304 2.8304 2.8443 2.8443 3.3363 3.3363 3.3514 3.3514 9.2370 9.2370 9.2425 9.2425 14.0505 14.0505 k = 0.2222 0.3709-0.0000 ( 6864 PWs) bands (ev): -40.5500 -40.5500 -40.5500 -40.5500 -19.8569 -19.8569 -19.8569 -19.8569 -11.1693 -11.1693 -11.1692 -11.1692 -3.5144 -3.5144 -3.5116 -3.5116 -1.9653 -1.9653 -1.9538 -1.9538 -1.7387 -1.7387 -1.7230 -1.7230 2.8633 2.8633 2.8779 2.8779 3.3334 3.3334 3.3491 3.3491 9.2132 9.2132 9.2185 9.2185 13.9944 13.9944 k = 0.2130 0.3709-0.0000 ( 6860 PWs) bands (ev): -40.5503 -40.5503 -40.5503 -40.5503 -19.8628 -19.8628 -19.8628 -19.8628 -11.1743 -11.1743 -11.1742 -11.1742 -3.5291 -3.5291 -3.5265 -3.5265 -1.9325 -1.9325 -1.9209 -1.9209 -1.7176 -1.7176 -1.7019 -1.7019 2.8957 2.8957 2.9110 2.9110 3.3309 3.3309 3.3473 3.3473 9.1890 9.1890 9.1942 9.1942 13.9388 13.9388 k = 0.2037 0.3709-0.0000 ( 6868 PWs) bands (ev): -40.5507 -40.5507 -40.5507 -40.5507 -19.8685 -19.8685 -19.8685 -19.8685 -11.1793 -11.1793 -11.1792 -11.1792 -3.5434 -3.5434 -3.5410 -3.5410 -1.9039 -1.9039 -1.8926 -1.8926 -1.6924 -1.6924 -1.6772 -1.6772 2.9273 2.9273 2.9434 2.9434 3.3290 3.3290 3.3461 3.3461 9.1646 9.1646 9.1696 9.1696 13.8841 13.8841 k = 0.1944 0.3709-0.0000 ( 6872 PWs) bands (ev): -40.5510 -40.5510 -40.5509 -40.5509 -19.8741 -19.8741 -19.8741 -19.8741 -11.1842 -11.1842 -11.1841 -11.1841 -3.5573 -3.5573 -3.5550 -3.5550 -1.8795 -1.8795 -1.8691 -1.8691 -1.6631 -1.6631 -1.6490 -1.6490 2.9579 2.9579 2.9748 2.9748 3.3276 3.3276 3.3455 3.3455 9.1400 9.1400 9.1448 9.1448 13.8303 13.8303 k = 0.1852 0.3709-0.0000 ( 6876 PWs) bands (ev): -40.5512 -40.5512 -40.5512 -40.5512 -19.8796 -19.8796 -19.8796 -19.8796 -11.1890 -11.1890 -11.1889 -11.1889 -3.5707 -3.5707 -3.5685 -3.5685 -1.8591 -1.8591 -1.8500 -1.8500 -1.6303 -1.6303 -1.6176 -1.6176 2.9873 2.9873 3.0050 3.0050 3.3270 3.3270 3.3457 3.3457 9.1154 9.1154 9.1200 9.1200 13.7778 13.7778 k = 0.1759 0.3709-0.0000 ( 6880 PWs) bands (ev): -40.5515 -40.5515 -40.5515 -40.5515 -19.8850 -19.8850 -19.8850 -19.8850 -11.1937 -11.1937 -11.1936 -11.1936 -3.5836 -3.5836 -3.5816 -3.5816 -1.8424 -1.8424 -1.8345 -1.8345 -1.5949 -1.5949 -1.5836 -1.5836 3.0151 3.0151 3.0337 3.0337 3.3274 3.3274 3.3469 3.3469 9.0908 9.0908 9.0952 9.0952 13.7266 13.7266 k = 0.1667 0.3709-0.0000 ( 6876 PWs) bands (ev): -40.5518 -40.5518 -40.5518 -40.5518 -19.8902 -19.8902 -19.8902 -19.8902 -11.1982 -11.1982 -11.1981 -11.1981 -3.5961 -3.5961 -3.5941 -3.5941 -1.8285 -1.8285 -1.8219 -1.8219 -1.5579 -1.5579 -1.5480 -1.5480 3.0412 3.0412 3.0605 3.0605 3.3290 3.3290 3.3491 3.3491 9.0663 9.0663 9.0706 9.0706 13.6770 13.6770 k = 0.1574 0.3709-0.0000 ( 6880 PWs) bands (ev): -40.5521 -40.5521 -40.5521 -40.5521 -19.8952 -19.8952 -19.8952 -19.8952 -11.2026 -11.2026 -11.2025 -11.2025 -3.6079 -3.6079 -3.6061 -3.6061 -1.8170 -1.8170 -1.8114 -1.8114 -1.5200 -1.5200 -1.5114 -1.5114 3.0653 3.0653 3.0852 3.0852 3.3320 3.3320 3.3527 3.3527 9.0421 9.0421 9.0462 9.0462 13.6291 13.6291 k = 0.1481 0.3709-0.0000 ( 6874 PWs) bands (ev): -40.5523 -40.5523 -40.5523 -40.5523 -19.9000 -19.9000 -19.9000 -19.9000 -11.2068 -11.2068 -11.2067 -11.2067 -3.6192 -3.6192 -3.6175 -3.6175 -1.8073 -1.8073 -1.8026 -1.8026 -1.4821 -1.4821 -1.4746 -1.4746 3.0871 3.0871 3.1073 3.1073 3.3367 3.3367 3.3576 3.3576 9.0184 9.0184 9.0222 9.0222 13.5832 13.5832 k = 0.1389 0.3709-0.0000 ( 6858 PWs) bands (ev): -40.5526 -40.5526 -40.5526 -40.5526 -19.9046 -19.9046 -19.9046 -19.9046 -11.2108 -11.2108 -11.2107 -11.2107 -3.6299 -3.6299 -3.6283 -3.6283 -1.7990 -1.7990 -1.7951 -1.7951 -1.4447 -1.4447 -1.4381 -1.4381 3.1064 3.1064 3.1265 3.1265 3.3432 3.3432 3.3641 3.3641 8.9951 8.9951 8.9988 8.9988 13.5392 13.5392 k = 0.1296 0.3709-0.0000 ( 6854 PWs) bands (ev): -40.5528 -40.5528 -40.5528 -40.5528 -19.9090 -19.9090 -19.9090 -19.9090 -11.2146 -11.2146 -11.2145 -11.2145 -3.6401 -3.6401 -3.6386 -3.6386 -1.7918 -1.7918 -1.7886 -1.7886 -1.4081 -1.4081 -1.4024 -1.4024 3.1231 3.1231 3.1427 3.1427 3.3518 3.3518 3.3721 3.3721 8.9725 8.9725 8.9759 8.9759 13.4975 13.4975 k = 0.1204 0.3709-0.0000 ( 6856 PWs) bands (ev): -40.5530 -40.5530 -40.5530 -40.5530 -19.9131 -19.9131 -19.9131 -19.9131 -11.2182 -11.2182 -11.2182 -11.2182 -3.6496 -3.6496 -3.6482 -3.6482 -1.7856 -1.7856 -1.7829 -1.7829 -1.3729 -1.3729 -1.3679 -1.3679 3.1372 3.1372 3.1558 3.1558 3.3621 3.3621 3.3815 3.3815 8.9507 8.9507 8.9539 8.9539 13.4580 13.4581 k = 0.1111 0.3709-0.0000 ( 6852 PWs) bands (ev): -40.5532 -40.5532 -40.5532 -40.5532 -19.9170 -19.9170 -19.9170 -19.9170 -11.2216 -11.2216 -11.2216 -11.2216 -3.6584 -3.6584 -3.6572 -3.6572 -1.7801 -1.7801 -1.7779 -1.7779 -1.3392 -1.3392 -1.3348 -1.3348 3.1488 3.1488 3.1661 3.1661 3.3741 3.3741 3.3920 3.3920 8.9298 8.9298 8.9328 8.9328 13.4210 13.4211 k = 0.1019 0.3709-0.0000 ( 6852 PWs) bands (ev): -40.5534 -40.5534 -40.5534 -40.5534 -19.9206 -19.9206 -19.9206 -19.9206 -11.2248 -11.2248 -11.2247 -11.2247 -3.6666 -3.6666 -3.6655 -3.6655 -1.7753 -1.7753 -1.7735 -1.7735 -1.3073 -1.3073 -1.3034 -1.3034 3.1582 3.1582 3.1740 3.1740 3.3871 3.3871 3.4034 3.4034 8.9099 8.9099 8.9127 8.9127 13.3866 13.3866 k = 0.0926 0.3709-0.0000 ( 6848 PWs) bands (ev): -40.5536 -40.5536 -40.5536 -40.5536 -19.9240 -19.9240 -19.9239 -19.9239 -11.2277 -11.2277 -11.2277 -11.2277 -3.6741 -3.6741 -3.6731 -3.6731 -1.7711 -1.7711 -1.7696 -1.7696 -1.2774 -1.2774 -1.2741 -1.2741 3.1658 3.1658 3.1798 3.1798 3.4007 3.4007 3.4152 3.4152 8.8913 8.8913 8.8938 8.8938 13.3548 13.3548 k = 0.0833 0.3709-0.0000 ( 6848 PWs) bands (ev): -40.5538 -40.5538 -40.5538 -40.5538 -19.9270 -19.9270 -19.9270 -19.9270 -11.2304 -11.2304 -11.2303 -11.2303 -3.6810 -3.6810 -3.6801 -3.6801 -1.7675 -1.7675 -1.7662 -1.7662 -1.2498 -1.2498 -1.2469 -1.2469 3.1717 3.1717 3.1839 3.1839 3.4143 3.4143 3.4270 3.4270 8.8739 8.8739 8.8762 8.8762 13.3258 13.3258 k = 0.0741 0.3709-0.0000 ( 6848 PWs) bands (ev): -40.5539 -40.5539 -40.5539 -40.5539 -19.9298 -19.9298 -19.9298 -19.9298 -11.2328 -11.2328 -11.2328 -11.2328 -3.6872 -3.6872 -3.6863 -3.6863 -1.7643 -1.7643 -1.7632 -1.7632 -1.2247 -1.2247 -1.2221 -1.2221 3.1763 3.1763 3.1869 3.1869 3.4276 3.4276 3.4386 3.4386 8.8581 8.8581 8.8601 8.8601 13.2996 13.2996 k = 0.0648 0.3709-0.0000 ( 6846 PWs) bands (ev): -40.5540 -40.5540 -40.5540 -40.5540 -19.9322 -19.9322 -19.9322 -19.9322 -11.2349 -11.2349 -11.2349 -11.2349 -3.6926 -3.6926 -3.6919 -3.6919 -1.7615 -1.7615 -1.7606 -1.7606 -1.2020 -1.2020 -1.1999 -1.1999 3.1799 3.1799 3.1889 3.1889 3.4400 3.4400 3.4494 3.4494 8.8438 8.8438 8.8456 8.8456 13.2763 13.2763 k = 0.0556 0.3709-0.0000 ( 6850 PWs) bands (ev): -40.5542 -40.5542 -40.5542 -40.5542 -19.9344 -19.9344 -19.9344 -19.9344 -11.2368 -11.2368 -11.2368 -11.2368 -3.6973 -3.6973 -3.6967 -3.6967 -1.7592 -1.7592 -1.7584 -1.7584 -1.1821 -1.1821 -1.1803 -1.1803 3.1827 3.1827 3.1901 3.1901 3.4514 3.4514 3.4592 3.4592 8.8311 8.8311 8.8327 8.8327 13.2560 13.2560 k = 0.0463 0.3709-0.0000 ( 6846 PWs) bands (ev): -40.5543 -40.5543 -40.5543 -40.5543 -19.9362 -19.9362 -19.9362 -19.9362 -11.2384 -11.2384 -11.2384 -11.2384 -3.7014 -3.7014 -3.7008 -3.7008 -1.7572 -1.7572 -1.7566 -1.7566 -1.1651 -1.1651 -1.1636 -1.1636 3.1848 3.1848 3.1909 3.1909 3.4615 3.4615 3.4678 3.4678 8.8203 8.8203 8.8216 8.8216 13.2388 13.2388 k = 0.0370 0.3709-0.0000 ( 6850 PWs) bands (ev): -40.5543 -40.5543 -40.5543 -40.5543 -19.9377 -19.9377 -19.9377 -19.9377 -11.2397 -11.2397 -11.2397 -11.2397 -3.7046 -3.7046 -3.7042 -3.7042 -1.7556 -1.7556 -1.7552 -1.7552 -1.1509 -1.1509 -1.1498 -1.1498 3.1865 3.1865 3.1913 3.1913 3.4701 3.4701 3.4750 3.4750 8.8113 8.8113 8.8124 8.8124 13.2246 13.2259 k = 0.0278 0.3709-0.0000 ( 6846 PWs) bands (ev): -40.5544 -40.5544 -40.5544 -40.5544 -19.9389 -19.9389 -19.9389 -19.9389 -11.2408 -11.2408 -11.2408 -11.2408 -3.7072 -3.7072 -3.7069 -3.7069 -1.7544 -1.7544 -1.7540 -1.7540 -1.1398 -1.1398 -1.1390 -1.1390 3.1879 3.1879 3.1914 3.1914 3.4770 3.4770 3.4807 3.4807 8.8043 8.8043 8.8051 8.8051 13.2136 13.2136 k = 0.0185 0.3709-0.0000 ( 6846 PWs) bands (ev): -40.5544 -40.5544 -40.5544 -40.5544 -19.9397 -19.9397 -19.9397 -19.9397 -11.2415 -11.2415 -11.2415 -11.2415 -3.7090 -3.7090 -3.7088 -3.7088 -1.7535 -1.7535 -1.7533 -1.7533 -1.1318 -1.1318 -1.1312 -1.1312 3.1889 3.1889 3.1912 3.1912 3.4822 3.4822 3.4846 3.4846 8.7993 8.7993 8.7998 8.7998 13.2058 13.2058 k = 0.0093 0.3709-0.0000 ( 6852 PWs) bands (ev): -40.5545 -40.5545 -40.5545 -40.5545 -19.9402 -19.9402 -19.9402 -19.9402 -11.2419 -11.2419 -11.2419 -11.2419 -3.7101 -3.7101 -3.7100 -3.7100 -1.7529 -1.7529 -1.7528 -1.7528 -1.1269 -1.1269 -1.1266 -1.1266 3.1898 3.1898 3.1909 3.1909 3.4855 3.4855 3.4867 3.4867 8.7963 8.7963 8.7966 8.7966 13.2012 13.2014 k = 0.0000 0.3709-0.0000 ( 6852 PWs) bands (ev): -40.5545 -40.5545 -40.5545 -40.5545 -19.9404 -19.9404 -19.9404 -19.9404 -11.2421 -11.2421 -11.2421 -11.2421 -3.7104 -3.7104 -3.7104 -3.7104 -1.7527 -1.7527 -1.7527 -1.7527 -1.1252 -1.1252 -1.1252 -1.1252 3.1904 3.1904 3.1904 3.1904 3.4871 3.4871 3.4871 3.4871 8.7954 8.7954 8.7954 8.7954 13.1997 13.1997 k = 0.0000 0.3709-0.0000 ( 6852 PWs) bands (ev): -40.5545 -40.5545 -40.5545 -40.5545 -19.9404 -19.9404 -19.9404 -19.9404 -11.2421 -11.2421 -11.2421 -11.2421 -3.7104 -3.7104 -3.7104 -3.7104 -1.7527 -1.7527 -1.7527 -1.7527 -1.1252 -1.1252 -1.1252 -1.1252 3.1904 3.1904 3.1904 3.1904 3.4871 3.4871 3.4871 3.4871 8.7954 8.7954 8.7954 8.7954 13.1997 13.1997 k = 0.0000 0.3616-0.0000 ( 6850 PWs) bands (ev): -40.5547 -40.5547 -40.5543 -40.5543 -19.9476 -19.9476 -19.9332 -19.9332 -11.2437 -11.2437 -11.2401 -11.2401 -3.7336 -3.7336 -3.6863 -3.6863 -1.7561 -1.7561 -1.7505 -1.7505 -1.1387 -1.1387 -1.1119 -1.1119 3.1599 3.1599 3.2194 3.2194 3.4870 3.4870 3.4877 3.4877 8.7698 8.7698 8.8237 8.8237 13.1842 13.1842 k = 0.0000 0.3523-0.0000 ( 6856 PWs) bands (ev): -40.5548 -40.5548 -40.5541 -40.5541 -19.9549 -19.9549 -19.9261 -19.9261 -11.2450 -11.2450 -11.2377 -11.2377 -3.7558 -3.7558 -3.6614 -3.6614 -1.7606 -1.7606 -1.7493 -1.7493 -1.1524 -1.1524 -1.0989 -1.0989 3.1278 3.1278 3.2468 3.2468 3.4873 3.4873 3.4888 3.4888 8.7470 8.7470 8.8545 8.8545 13.1651 13.1651 k = 0.0000 0.3431-0.0000 ( 6852 PWs) bands (ev): -40.5550 -40.5550 -40.5540 -40.5540 -19.9622 -19.9622 -19.9190 -19.9190 -11.2459 -11.2459 -11.2350 -11.2350 -3.7769 -3.7769 -3.6357 -3.6357 -1.7665 -1.7665 -1.7491 -1.7491 -1.1663 -1.1663 -1.0862 -1.0862 3.0942 3.0942 3.2725 3.2725 3.4882 3.4882 3.4905 3.4905 8.7271 8.7271 8.8877 8.8877 13.1422 13.1422 k = 0.0000 0.3338-0.0000 ( 6852 PWs) bands (ev): -40.5552 -40.5552 -40.5538 -40.5538 -19.9695 -19.9695 -19.9121 -19.9121 -11.2465 -11.2465 -11.2319 -11.2319 -3.7969 -3.7969 -3.6095 -3.6095 -1.7737 -1.7737 -1.7498 -1.7498 -1.1804 -1.1804 -1.0738 -1.0738 3.0593 3.0593 3.2965 3.2965 3.4896 3.4896 3.4927 3.4927 8.7104 8.7104 8.9230 8.9230 13.1152 13.1152 k = 0.0000 0.3245-0.0000 ( 6852 PWs) bands (ev): -40.5554 -40.5554 -40.5536 -40.5536 -19.9768 -19.9768 -19.9052 -19.9052 -11.2468 -11.2468 -11.2285 -11.2285 -3.8157 -3.8157 -3.5828 -3.5828 -1.7822 -1.7822 -1.7511 -1.7511 -1.1946 -1.1946 -1.0617 -1.0617 3.0231 3.0231 3.3188 3.3188 3.4914 3.4914 3.4954 3.4954 8.6967 8.6967 8.9603 8.9603 13.0842 13.0842 k = 0.0000 0.3152-0.0000 ( 6856 PWs) bands (ev): -40.5555 -40.5555 -40.5535 -40.5535 -19.9841 -19.9841 -19.8984 -19.8984 -11.2467 -11.2467 -11.2247 -11.2247 -3.8332 -3.8332 -3.5557 -3.5557 -1.7923 -1.7923 -1.7531 -1.7531 -1.2089 -1.2089 -1.0499 -1.0499 2.9856 2.9856 3.3394 3.3394 3.4937 3.4937 3.4986 3.4986 8.6864 8.6864 8.9994 8.9994 13.0492 13.0492 k = 0.0000 0.3060-0.0000 ( 6864 PWs) bands (ev): -40.5557 -40.5557 -40.5533 -40.5533 -19.9914 -19.9914 -19.8918 -19.8918 -11.2463 -11.2463 -11.2205 -11.2205 -3.8494 -3.8494 -3.5285 -3.5285 -1.8038 -1.8038 -1.7555 -1.7555 -1.2232 -1.2232 -1.0386 -1.0386 2.9470 2.9470 3.3583 3.3583 3.4963 3.4963 3.5023 3.5023 8.6794 8.6794 9.0401 9.0401 13.0102 13.0102 k = 0.0000 0.2967-0.0000 ( 6872 PWs) bands (ev): -40.5559 -40.5559 -40.5532 -40.5532 -19.9986 -19.9986 -19.8852 -19.8852 -11.2457 -11.2457 -11.2161 -11.2161 -3.8642 -3.8642 -3.5011 -3.5011 -1.8167 -1.8167 -1.7582 -1.7582 -1.2376 -1.2376 -1.0276 -1.0276 2.9074 2.9074 3.3756 3.3756 3.4994 3.4994 3.5065 3.5065 8.6757 8.6757 9.0822 9.0822 12.9674 12.9674 k = 0.0000 0.2874-0.0000 ( 6868 PWs) bands (ev): -40.5561 -40.5561 -40.5530 -40.5530 -20.0058 -20.0058 -19.8788 -19.8788 -11.2448 -11.2448 -11.2113 -11.2113 -3.8776 -3.8776 -3.4737 -3.4737 -1.8312 -1.8312 -1.7611 -1.7611 -1.2520 -1.2520 -1.0169 -1.0169 2.8668 2.8668 3.3912 3.3912 3.5029 3.5029 3.5112 3.5112 8.6755 8.6755 9.1254 9.1254 12.9208 12.9208 k = 0.0000 0.2782-0.0000 ( 6872 PWs) bands (ev): -40.5563 -40.5563 -40.5529 -40.5529 -20.0129 -20.0129 -19.8726 -19.8726 -11.2436 -11.2436 -11.2062 -11.2062 -3.8895 -3.8895 -3.4466 -3.4466 -1.8471 -1.8471 -1.7640 -1.7640 -1.2663 -1.2663 -1.0067 -1.0067 2.8254 2.8254 3.4051 3.4051 3.5066 3.5066 3.5163 3.5163 8.6787 8.6787 9.1695 9.1695 12.8706 12.8706 k = 0.0000 0.2689-0.0000 ( 6868 PWs) bands (ev): -40.5565 -40.5565 -40.5527 -40.5527 -20.0199 -20.0199 -19.8665 -19.8665 -11.2422 -11.2422 -11.2008 -11.2008 -3.9000 -3.9000 -3.4198 -3.4198 -1.8644 -1.8644 -1.7668 -1.7668 -1.2806 -1.2806 -0.9969 -0.9969 2.7833 2.7833 3.4176 3.4176 3.5107 3.5107 3.5218 3.5218 8.6854 8.6854 9.2143 9.2143 12.8171 12.8171 k = 0.0000 0.2596-0.0000 ( 6864 PWs) bands (ev): -40.5566 -40.5566 -40.5526 -40.5526 -20.0269 -20.0269 -19.8605 -19.8605 -11.2406 -11.2406 -11.1951 -11.1951 -3.9090 -3.9090 -3.3935 -3.3935 -1.8832 -1.8832 -1.7692 -1.7692 -1.2947 -1.2947 -0.9875 -0.9875 2.7405 2.7405 3.4285 3.4285 3.5150 3.5150 3.5276 3.5276 8.6954 8.6954 9.2596 9.2596 12.7604 12.7604 k = 0.0000 0.2503-0.0000 ( 6864 PWs) bands (ev): -40.5568 -40.5568 -40.5524 -40.5524 -20.0337 -20.0337 -19.8547 -19.8547 -11.2388 -11.2388 -11.1892 -11.1892 -3.9164 -3.9164 -3.3679 -3.3679 -1.9034 -1.9034 -1.7713 -1.7713 -1.3087 -1.3087 -0.9785 -0.9785 2.6973 2.6973 3.4381 3.4381 3.5196 3.5196 3.5339 3.5339 8.7089 8.7089 9.3050 9.3050 12.7007 12.7007 k = 0.0000 0.2411-0.0000 ( 6858 PWs) bands (ev): -40.5570 -40.5570 -40.5523 -40.5523 -20.0405 -20.0405 -19.8491 -19.8491 -11.2368 -11.2368 -11.1831 -11.1831 -3.9224 -3.9224 -3.3430 -3.3430 -1.9249 -1.9249 -1.7727 -1.7727 -1.3226 -1.3226 -0.9699 -0.9699 2.6537 2.6537 3.4462 3.4462 3.5243 3.5243 3.5404 3.5404 8.7258 8.7258 9.3505 9.3505 12.6383 12.6383 k = 0.0000 0.2318-0.0000 ( 6854 PWs) bands (ev): -40.5571 -40.5571 -40.5522 -40.5522 -20.0470 -20.0470 -19.8436 -19.8436 -11.2347 -11.2347 -11.1768 -11.1768 -3.9269 -3.9269 -3.3192 -3.3192 -1.9477 -1.9477 -1.7735 -1.7735 -1.3362 -1.3362 -0.9618 -0.9618 2.6099 2.6099 3.4532 3.4532 3.5292 3.5292 3.5472 3.5472 8.7460 8.7460 9.3957 9.3957 12.5734 12.5734 k = 0.0000 0.2225-0.0000 ( 6858 PWs) bands (ev): -40.5573 -40.5573 -40.5521 -40.5521 -20.0535 -20.0535 -19.8383 -19.8383 -11.2325 -11.2325 -11.1703 -11.1703 -3.9298 -3.9298 -3.2963 -3.2963 -1.9717 -1.9717 -1.7734 -1.7734 -1.3496 -1.3496 -0.9540 -0.9540 2.5660 2.5660 3.4590 3.4590 3.5343 3.5343 3.5543 3.5543 8.7694 8.7694 9.4404 9.4404 12.5063 12.5063 k = 0.0000 0.2132-0.0000 ( 6862 PWs) bands (ev): -40.5575 -40.5575 -40.5519 -40.5519 -20.0598 -20.0598 -19.8333 -19.8333 -11.2301 -11.2301 -11.1637 -11.1637 -3.9314 -3.9314 -3.2747 -3.2747 -1.9967 -1.9967 -1.7723 -1.7723 -1.3627 -1.3627 -0.9467 -0.9467 2.5221 2.5221 3.4636 3.4636 3.5394 3.5394 3.5615 3.5615 8.7959 8.7959 9.4844 9.4844 12.4370 12.4370 k = 0.0000 0.2040-0.0000 ( 6864 PWs) bands (ev): -40.5576 -40.5576 -40.5518 -40.5518 -20.0659 -20.0659 -19.8284 -19.8284 -11.2277 -11.2277 -11.1570 -11.1570 -3.9314 -3.9314 -3.2544 -3.2544 -2.0228 -2.0228 -1.7702 -1.7702 -1.3756 -1.3756 -0.9398 -0.9398 2.4783 2.4783 3.4673 3.4673 3.5445 3.5445 3.5689 3.5689 8.8255 8.8255 9.5275 9.5275 12.3660 12.3660 k = 0.0000 0.1947-0.0000 ( 6866 PWs) bands (ev): -40.5578 -40.5578 -40.5517 -40.5517 -20.0719 -20.0719 -19.8237 -19.8237 -11.2252 -11.2252 -11.1503 -11.1503 -3.9301 -3.9301 -3.2355 -3.2355 -2.0498 -2.0498 -1.7670 -1.7670 -1.3881 -1.3881 -0.9333 -0.9333 2.4349 2.4349 3.4701 3.4701 3.5497 3.5497 3.5764 3.5764 8.8580 8.8580 9.5695 9.5695 12.2933 12.2933 k = 0.0000 0.1854-0.0000 ( 6858 PWs) bands (ev): -40.5579 -40.5579 -40.5516 -40.5516 -20.0776 -20.0776 -19.8192 -19.8192 -11.2226 -11.2226 -11.1435 -11.1435 -3.9275 -3.9275 -3.2181 -3.2181 -2.0775 -2.0775 -1.7626 -1.7626 -1.4002 -1.4002 -0.9271 -0.9271 2.3919 2.3919 3.4720 3.4720 3.5548 3.5548 3.5840 3.5840 8.8933 8.8933 9.6101 9.6101 12.2192 12.2192 k = 0.0000 0.1762-0.0000 ( 6844 PWs) bands (ev): -40.5581 -40.5581 -40.5515 -40.5515 -20.0832 -20.0832 -19.8149 -19.8149 -11.2201 -11.2201 -11.1367 -11.1367 -3.9236 -3.9236 -3.2022 -3.2022 -2.1059 -2.1059 -1.7571 -1.7571 -1.4119 -1.4119 -0.9214 -0.9214 2.3496 2.3496 3.4732 3.4732 3.5600 3.5600 3.5916 3.5916 8.9313 8.9313 9.6493 9.6493 12.1440 12.1440 k = 0.0000 0.1669-0.0000 ( 6844 PWs) bands (ev): -40.5582 -40.5582 -40.5514 -40.5514 -20.0885 -20.0885 -19.8108 -19.8108 -11.2175 -11.2175 -11.1300 -11.1300 -3.9184 -3.9184 -3.1879 -3.1879 -2.1348 -2.1348 -1.7504 -1.7504 -1.4232 -1.4232 -0.9160 -0.9160 2.3080 2.3080 3.4737 3.4737 3.5650 3.5650 3.5992 3.5992 8.9718 8.9718 9.6868 9.6868 12.0680 12.0680 k = 0.0000 0.1576-0.0000 ( 6832 PWs) bands (ev): -40.5583 -40.5583 -40.5513 -40.5513 -20.0936 -20.0936 -19.8069 -19.8069 -11.2149 -11.2149 -11.1234 -11.1234 -3.9122 -3.9122 -3.1751 -3.1751 -2.1640 -2.1640 -1.7426 -1.7426 -1.4341 -1.4341 -0.9111 -0.9111 2.2673 2.2673 3.4736 3.4736 3.5700 3.5700 3.6068 3.6068 9.0145 9.0145 9.7225 9.7225 11.9912 11.9912 k = 0.0000 0.1483-0.0000 ( 6836 PWs) bands (ev): -40.5584 -40.5584 -40.5512 -40.5512 -20.0985 -20.0985 -19.8032 -19.8032 -11.2124 -11.2124 -11.1168 -11.1168 -3.9049 -3.9049 -3.1638 -3.1638 -2.1933 -2.1933 -1.7339 -1.7339 -1.4444 -1.4444 -0.9064 -0.9064 2.2277 2.2277 3.4731 3.4731 3.5749 3.5749 3.6142 3.6142 9.0594 9.0594 9.7563 9.7563 11.9141 11.9141 k = 0.0000 0.1391-0.0000 ( 6836 PWs) bands (ev): -40.5586 -40.5586 -40.5512 -40.5512 -20.1031 -20.1031 -19.7998 -19.7998 -11.2100 -11.2100 -11.1105 -11.1105 -3.8967 -3.8967 -3.1539 -3.1539 -2.2227 -2.2227 -1.7242 -1.7242 -1.4543 -1.4543 -0.9022 -0.9022 2.1893 2.1893 3.4721 3.4721 3.5796 3.5796 3.6214 3.6214 9.1061 9.1061 9.7882 9.7882 11.8369 11.8369 k = 0.0000 0.1298-0.0000 ( 6833 PWs) bands (ev): -40.5587 -40.5587 -40.5511 -40.5511 -20.1075 -20.1075 -19.7965 -19.7965 -11.2076 -11.2076 -11.1043 -11.1043 -3.8878 -3.8878 -3.1455 -3.1455 -2.2518 -2.2518 -1.7139 -1.7139 -1.4636 -1.4636 -0.8982 -0.8982 2.1524 2.1524 3.4708 3.4708 3.5841 3.5841 3.6285 3.6285 9.1544 9.1544 9.8179 9.8179 11.7599 11.7599 k = 0.0000 0.1205-0.0000 ( 6829 PWs) bands (ev): -40.5588 -40.5588 -40.5510 -40.5510 -20.1116 -20.1116 -19.7935 -19.7935 -11.2053 -11.2053 -11.0984 -11.0984 -3.8782 -3.8782 -3.1384 -3.1384 -2.2805 -2.2805 -1.7029 -1.7029 -1.4724 -1.4724 -0.8946 -0.8946 2.1170 2.1170 3.4692 3.4692 3.5885 3.5885 3.6353 3.6353 9.2041 9.2041 9.8456 9.8456 11.6834 11.6834 k = 0.0000 0.1113-0.0000 ( 6839 PWs) bands (ev): -40.5589 -40.5589 -40.5510 -40.5510 -20.1155 -20.1155 -19.7907 -19.7907 -11.2031 -11.2031 -11.0927 -11.0927 -3.8681 -3.8681 -3.1324 -3.1324 -2.3086 -2.3086 -1.6916 -1.6916 -1.4807 -1.4807 -0.8913 -0.8913 2.0833 2.0833 3.4675 3.4675 3.5926 3.5926 3.6418 3.6418 9.2547 9.2547 9.8710 9.8710 11.6078 11.6078 k = 0.0000 0.1020-0.0000 ( 6845 PWs) bands (ev): -40.5590 -40.5590 -40.5509 -40.5509 -20.1191 -20.1191 -19.7881 -19.7881 -11.2011 -11.2011 -11.0874 -11.0874 -3.8577 -3.8577 -3.1275 -3.1275 -2.3357 -2.3357 -1.6801 -1.6801 -1.4883 -1.4883 -0.8883 -0.8883 2.0516 2.0516 3.4656 3.4656 3.5965 3.5965 3.6479 3.6479 9.3059 9.3059 9.8943 9.8943 11.5336 11.5336 k = 0.0000 0.0927-0.0000 ( 6849 PWs) bands (ev): -40.5591 -40.5591 -40.5509 -40.5509 -20.1223 -20.1223 -19.7858 -19.7858 -11.1991 -11.1991 -11.0824 -11.0824 -3.8472 -3.8472 -3.1236 -3.1236 -2.3618 -2.3618 -1.6687 -1.6687 -1.4953 -1.4953 -0.8857 -0.8857 2.0219 2.0219 3.4637 3.4637 3.6002 3.6002 3.6537 3.6537 9.3573 9.3573 9.9155 9.9155 11.4611 11.4611 k = 0.0000 0.0834-0.0000 ( 6851 PWs) bands (ev): -40.5591 -40.5591 -40.5508 -40.5508 -20.1253 -20.1253 -19.7836 -19.7836 -11.1973 -11.1973 -11.0777 -11.0777 -3.8368 -3.8368 -3.1205 -3.1205 -2.3865 -2.3865 -1.6576 -1.6576 -1.5017 -1.5017 -0.8833 -0.8833 1.9945 1.9945 3.4618 3.4618 3.6035 3.6035 3.6590 3.6590 9.4083 9.4083 9.9344 9.9344 11.3909 11.3909 k = 0.0000 0.0742-0.0000 ( 6849 PWs) bands (ev): -40.5592 -40.5592 -40.5508 -40.5508 -20.1280 -20.1280 -19.7817 -19.7817 -11.1957 -11.1957 -11.0735 -11.0735 -3.8266 -3.8266 -3.1181 -3.1181 -2.4095 -2.4095 -1.6469 -1.6469 -1.5075 -1.5075 -0.8811 -0.8811 1.9695 1.9695 3.4600 3.4600 3.6066 3.6066 3.6639 3.6639 9.4583 9.4583 9.9513 9.9513 11.3238 11.3238 k = 0.0000 0.0649-0.0000 ( 6853 PWs) bands (ev): -40.5593 -40.5593 -40.5507 -40.5507 -20.1304 -20.1304 -19.7800 -19.7800 -11.1943 -11.1943 -11.0697 -11.0697 -3.8170 -3.8170 -3.1163 -3.1163 -2.4307 -2.4307 -1.6369 -1.6369 -1.5126 -1.5126 -0.8793 -0.8793 1.9470 1.9470 3.4583 3.4583 3.6093 3.6093 3.6683 3.6683 9.5064 9.5064 9.9660 9.9660 11.2605 11.2605 k = 0.0000 0.0556-0.0000 ( 6857 PWs) bands (ev): -40.5593 -40.5593 -40.5507 -40.5507 -20.1325 -20.1325 -19.7785 -19.7785 -11.1930 -11.1930 -11.0664 -11.0664 -3.8080 -3.8080 -3.1150 -3.1150 -2.4496 -2.4496 -1.6278 -1.6278 -1.5170 -1.5170 -0.8777 -0.8777 1.9272 1.9272 3.4567 3.4567 3.6117 3.6117 3.6721 3.6721 9.5519 9.5519 9.9787 9.9787 11.2018 11.2018 k = 0.0000 0.0464-0.0000 ( 6865 PWs) bands (ev): -40.5594 -40.5594 -40.5507 -40.5507 -20.1343 -20.1343 -19.7773 -19.7773 -11.1919 -11.1919 -11.0635 -11.0635 -3.8000 -3.8000 -3.1140 -3.1140 -2.4662 -2.4662 -1.6198 -1.6198 -1.5208 -1.5208 -0.8764 -0.8764 1.9102 1.9102 3.4553 3.4553 3.6138 3.6138 3.6754 3.6754 9.5936 9.5936 9.9893 9.9893 11.1489 11.1489 k = 0.0000 0.0371-0.0000 ( 6861 PWs) bands (ev): -40.5594 -40.5594 -40.5506 -40.5506 -20.1357 -20.1357 -19.7763 -19.7763 -11.1910 -11.1910 -11.0611 -11.0611 -3.7931 -3.7931 -3.1134 -3.1134 -2.4801 -2.4801 -1.6131 -1.6131 -1.5239 -1.5239 -0.8753 -0.8753 1.8962 1.8962 3.4541 3.4541 3.6155 3.6155 3.6782 3.6782 9.6303 9.6303 9.9980 9.9980 11.1030 11.1030 k = 0.0000 0.0278-0.0000 ( 6861 PWs) bands (ev): -40.5595 -40.5595 -40.5506 -40.5506 -20.1368 -20.1368 -19.7755 -19.7755 -11.1903 -11.1903 -11.0592 -11.0592 -3.7876 -3.7876 -3.1129 -3.1129 -2.4912 -2.4912 -1.6076 -1.6076 -1.5263 -1.5263 -0.8745 -0.8745 1.8851 1.8851 3.4531 3.4531 3.6168 3.6168 3.6803 3.6803 9.6608 9.6608 10.0047 10.0047 11.0654 11.0654 k = 0.0000 0.0185-0.0000 ( 6851 PWs) bands (ev): -40.5595 -40.5595 -40.5506 -40.5506 -20.1376 -20.1376 -19.7749 -19.7749 -11.1897 -11.1897 -11.0579 -11.0579 -3.7835 -3.7835 -3.1127 -3.1127 -2.4992 -2.4992 -1.6037 -1.6037 -1.5280 -1.5280 -0.8739 -0.8739 1.8772 1.8772 3.4525 3.4525 3.6177 3.6177 3.6819 3.6819 9.6838 9.6838 10.0094 10.0094 11.0373 11.0373 k = 0.0000 0.0093-0.0000 ( 6851 PWs) bands (ev): -40.5595 -40.5595 -40.5506 -40.5506 -20.1381 -20.1381 -19.7746 -19.7746 -11.1894 -11.1894 -11.0571 -11.0571 -3.7810 -3.7810 -3.1125 -3.1125 -2.5041 -2.5041 -1.6013 -1.6013 -1.5290 -1.5290 -0.8735 -0.8735 1.8724 1.8724 3.4520 3.4520 3.6183 3.6183 3.6828 3.6828 9.6982 9.6982 10.0123 10.0123 11.0199 11.0199 k = 0.0000 0.0000 0.0000 ( 6855 PWs) bands (ev): -40.5595 -40.5595 -40.5506 -40.5506 -20.1383 -20.1383 -19.7745 -19.7745 -11.1893 -11.1893 -11.0568 -11.0568 -3.7801 -3.7801 -3.1125 -3.1125 -2.5057 -2.5057 -1.6005 -1.6005 -1.5293 -1.5293 -0.8734 -0.8734 1.8708 1.8708 3.4519 3.4519 3.6185 3.6185 3.6831 3.6831 9.7030 9.7030 10.0132 10.0132 11.0140 11.0140 k = 0.0000 0.0000 0.0000 ( 6855 PWs) bands (ev): -40.5595 -40.5595 -40.5506 -40.5506 -20.1383 -20.1383 -19.7745 -19.7745 -11.1893 -11.1893 -11.0568 -11.0568 -3.7801 -3.7801 -3.1125 -3.1125 -2.5057 -2.5057 -1.6005 -1.6005 -1.5293 -1.5293 -0.8734 -0.8734 1.8708 1.8708 3.4519 3.4519 3.6185 3.6185 3.6831 3.6831 9.7030 9.7030 10.0132 10.0132 11.0140 11.0140 k = 0.0000 0.0000 0.0092 ( 6855 PWs) bands (ev): -40.5595 -40.5595 -40.5506 -40.5506 -20.1381 -20.1381 -19.7747 -19.7747 -11.1892 -11.1892 -11.0568 -11.0568 -3.7805 -3.7805 -3.1160 -3.1160 -2.5018 -2.5018 -1.5999 -1.5999 -1.5290 -1.5290 -0.8738 -0.8738 1.8713 1.8713 3.4505 3.4505 3.6186 3.6186 3.6831 3.6831 9.7016 9.7016 10.0081 10.0081 11.0203 11.0203 k = 0.0000 0.0000 0.0184 ( 6863 PWs) bands (ev): -40.5595 -40.5595 -40.5506 -40.5506 -20.1376 -20.1376 -19.7754 -19.7754 -11.1886 -11.1886 -11.0567 -11.0567 -3.7816 -3.7816 -3.1263 -3.1263 -2.4902 -2.4902 -1.5982 -1.5982 -1.5280 -1.5280 -0.8750 -0.8750 1.8729 1.8729 3.4463 3.4463 3.6187 3.6187 3.6831 3.6831 9.6973 9.6973 9.9931 9.9931 11.0389 11.0389 k = 0.0000 0.0000 0.0276 ( 6865 PWs) bands (ev): -40.5594 -40.5594 -40.5506 -40.5506 -20.1367 -20.1367 -19.7766 -19.7766 -11.1877 -11.1877 -11.0566 -11.0566 -3.7835 -3.7835 -3.1425 -3.1425 -2.4717 -2.4717 -1.5954 -1.5954 -1.5262 -1.5262 -0.8770 -0.8770 1.8755 1.8755 3.4394 3.4394 3.6190 3.6190 3.6829 3.6829 9.6903 9.6903 9.9694 9.9694 11.0687 11.0687 k = 0.0000 0.0000 0.0368 ( 6861 PWs) bands (ev): -40.5594 -40.5594 -40.5507 -40.5507 -20.1354 -20.1354 -19.7782 -19.7782 -11.1864 -11.1864 -11.0565 -11.0565 -3.7861 -3.7861 -3.1638 -3.1638 -2.4475 -2.4475 -1.5915 -1.5915 -1.5238 -1.5238 -0.8798 -0.8798 1.8791 1.8791 3.4297 3.4297 3.6193 3.6193 3.6828 3.6828 9.6805 9.6805 9.9383 9.9383 11.1083 11.1083 k = 0.0000 0.0000 0.0460 ( 6849 PWs) bands (ev): -40.5593 -40.5593 -40.5507 -40.5507 -20.1338 -20.1338 -19.7803 -19.7803 -11.1847 -11.1847 -11.0563 -11.0563 -3.7893 -3.7893 -3.1889 -3.1889 -2.4185 -2.4185 -1.5866 -1.5866 -1.5207 -1.5207 -0.8834 -0.8834 1.8838 1.8838 3.4174 3.4174 3.6198 3.6198 3.6826 3.6826 9.6681 9.6681 9.9016 9.9016 11.1559 11.1559 k = 0.0000 0.0000 0.0552 ( 6857 PWs) bands (ev): -40.5593 -40.5593 -40.5508 -40.5508 -20.1318 -20.1318 -19.7829 -19.7829 -11.1828 -11.1828 -11.0561 -11.0561 -3.7932 -3.7932 -3.2169 -3.2169 -2.3858 -2.3858 -1.5807 -1.5807 -1.5169 -1.5169 -0.8878 -0.8878 1.8895 1.8895 3.4024 3.4024 3.6203 3.6203 3.6824 3.6824 9.6532 9.6532 9.8605 9.8605 11.2102 11.2102 k = 0.0000 0.0000 0.0644 ( 6853 PWs) bands (ev): -40.5592 -40.5592 -40.5508 -40.5508 -20.1295 -20.1295 -19.7859 -19.7859 -11.1805 -11.1805 -11.0558 -11.0558 -3.7976 -3.7976 -3.2469 -3.2469 -2.3502 -2.3502 -1.5740 -1.5740 -1.5125 -1.5125 -0.8929 -0.8929 1.8963 1.8963 3.3849 3.3849 3.6210 3.6210 3.6821 3.6821 9.6360 9.6360 9.8166 9.8166 11.2700 11.2700 k = 0.0000 0.0000 0.0736 ( 6850 PWs) bands (ev): -40.5591 -40.5591 -40.5509 -40.5509 -20.1268 -20.1268 -19.7893 -19.7893 -11.1778 -11.1778 -11.0556 -11.0556 -3.8026 -3.8026 -3.2784 -3.2784 -2.3125 -2.3125 -1.5665 -1.5665 -1.5073 -1.5073 -0.8988 -0.8988 1.9042 1.9042 3.3650 3.3650 3.6217 3.6217 3.6818 3.6818 9.6166 9.6166 9.7706 9.7706 11.3341 11.3341 k = 0.0000 0.0000 0.0828 ( 6844 PWs) bands (ev): -40.5591 -40.5591 -40.5510 -40.5510 -20.1238 -20.1238 -19.7931 -19.7931 -11.1749 -11.1749 -11.0553 -11.0553 -3.8079 -3.8079 -3.3107 -3.3107 -2.2732 -2.2732 -1.5583 -1.5583 -1.5016 -1.5016 -0.9054 -0.9054 1.9131 1.9131 3.3426 3.3426 3.6226 3.6226 3.6814 3.6814 9.5952 9.5952 9.7236 9.7236 11.4017 11.4017 k = 0.0000 0.0000 0.0920 ( 6848 PWs) bands (ev): -40.5590 -40.5590 -40.5511 -40.5511 -20.1205 -20.1205 -19.7974 -19.7974 -11.1717 -11.1717 -11.0550 -11.0550 -3.8137 -3.8137 -3.3434 -3.3434 -2.2327 -2.2327 -1.5495 -1.5495 -1.4951 -1.4951 -0.9127 -0.9127 1.9231 1.9231 3.3181 3.3181 3.6235 3.6235 3.6810 3.6810 9.5720 9.5720 9.6761 9.6761 11.4722 11.4722 k = 0.0000 0.0000 0.1012 ( 6850 PWs) bands (ev): -40.5589 -40.5589 -40.5512 -40.5512 -20.1168 -20.1168 -19.8020 -19.8020 -11.1683 -11.1683 -11.0548 -11.0548 -3.8197 -3.8197 -3.3762 -3.3762 -2.1916 -2.1916 -1.5402 -1.5402 -1.4881 -1.4881 -0.9207 -0.9207 1.9341 1.9341 3.2914 3.2914 3.6246 3.6246 3.6805 3.6805 9.5473 9.5473 9.6288 9.6288 11.5450 11.5450 k = 0.0000 0.0000 0.1104 ( 6850 PWs) bands (ev): -40.5588 -40.5588 -40.5513 -40.5513 -20.1127 -20.1127 -19.8071 -19.8071 -11.1646 -11.1646 -11.0546 -11.0546 -3.8260 -3.8260 -3.4088 -3.4088 -2.1501 -2.1501 -1.5307 -1.5307 -1.4804 -1.4804 -0.9294 -0.9294 1.9463 1.9463 3.2628 3.2628 3.6257 3.6257 3.6800 3.6800 9.5212 9.5212 9.5821 9.5821 11.6196 11.6196 k = 0.0000 0.0000 0.1196 ( 6844 PWs) bands (ev): -40.5586 -40.5586 -40.5514 -40.5514 -20.1084 -20.1084 -19.8125 -19.8125 -11.1607 -11.1607 -11.0544 -11.0544 -3.8323 -3.8323 -3.4411 -3.4411 -2.1084 -2.1084 -1.5209 -1.5209 -1.4722 -1.4722 -0.9387 -0.9387 1.9595 1.9595 3.2323 3.2323 3.6269 3.6269 3.6795 3.6795 9.4940 9.4940 9.5363 9.5363 11.6958 11.6958 k = 0.0000 0.0000 0.1288 ( 6850 PWs) bands (ev): -40.5585 -40.5585 -40.5515 -40.5515 -20.1037 -20.1037 -19.8182 -19.8182 -11.1566 -11.1566 -11.0542 -11.0542 -3.8387 -3.8387 -3.4727 -3.4727 -2.0668 -2.0668 -1.5111 -1.5111 -1.4634 -1.4634 -0.9487 -0.9487 1.9739 1.9739 3.2001 3.2001 3.6282 3.6282 3.6789 3.6789 9.4659 9.4659 9.4919 9.4919 11.7731 11.7731 k = 0.0000 0.0000 0.1380 ( 6850 PWs) bands (ev): -40.5584 -40.5584 -40.5516 -40.5516 -20.0988 -20.0988 -19.8243 -19.8243 -11.1524 -11.1524 -11.0541 -11.0541 -3.8451 -3.8451 -3.5036 -3.5036 -2.0255 -2.0255 -1.5013 -1.5013 -1.4540 -1.4540 -0.9592 -0.9592 1.9894 1.9894 3.1664 3.1664 3.6295 3.6295 3.6783 3.6783 9.4367 9.4367 9.4493 9.4493 11.8514 11.8514 k = 0.0000 0.0000 0.1472 ( 6848 PWs) bands (ev): -40.5582 -40.5582 -40.5518 -40.5518 -20.0935 -20.0935 -19.8307 -19.8307 -11.1480 -11.1480 -11.0541 -11.0541 -3.8513 -3.8513 -3.5337 -3.5337 -1.9847 -1.9847 -1.4918 -1.4918 -1.4440 -1.4440 -0.9703 -0.9703 2.0060 2.0060 3.1313 3.1313 3.6309 3.6309 3.6776 3.6776 9.4040 9.4040 9.4116 9.4116 11.9304 11.9304 k = 0.0000 0.0000 0.1564 ( 6852 PWs) bands (ev): -40.5581 -40.5581 -40.5519 -40.5519 -20.0879 -20.0879 -19.8374 -19.8374 -11.1435 -11.1435 -11.0542 -11.0542 -3.8573 -3.8573 -3.5628 -3.5628 -1.9446 -1.9446 -1.4826 -1.4826 -1.4336 -1.4336 -0.9820 -0.9820 2.0237 2.0237 3.0949 3.0949 3.6324 3.6324 3.6768 3.6768 9.3661 9.3661 9.3809 9.3809 12.0099 12.0099 k = 0.0000 0.0000 0.1656 ( 6864 PWs) bands (ev): -40.5579 -40.5579 -40.5521 -40.5521 -20.0821 -20.0821 -19.8444 -19.8444 -11.1390 -11.1390 -11.0544 -11.0544 -3.8630 -3.8630 -3.5909 -3.5909 -1.9052 -1.9052 -1.4739 -1.4739 -1.4227 -1.4227 -0.9941 -0.9941 2.0426 2.0426 3.0574 3.0574 3.6339 3.6339 3.6761 3.6761 9.3288 9.3288 9.3516 9.3516 12.0898 12.0898 k = 0.0000 0.0000 0.1748 ( 6864 PWs) bands (ev): -40.5577 -40.5577 -40.5522 -40.5522 -20.0760 -20.0760 -19.8516 -19.8516 -11.1343 -11.1343 -11.0547 -11.0547 -3.8683 -3.8683 -3.6179 -3.6179 -1.8669 -1.8669 -1.4658 -1.4658 -1.4112 -1.4112 -1.0068 -1.0068 2.0626 2.0626 3.0190 3.0190 3.6354 3.6354 3.6752 3.6752 9.2935 9.2935 9.3228 9.3228 12.1698 12.1698 k = 0.0000 0.0000 0.1840 ( 6860 PWs) bands (ev): -40.5576 -40.5576 -40.5524 -40.5524 -20.0696 -20.0696 -19.8591 -19.8591 -11.1297 -11.1297 -11.0551 -11.0551 -3.8731 -3.8731 -3.6437 -3.6437 -1.8296 -1.8296 -1.4586 -1.4586 -1.3994 -1.3994 -1.0198 -1.0198 2.0839 2.0839 2.9799 2.9799 3.6370 3.6370 3.6743 3.6743 9.2604 9.2604 9.2948 9.2948 12.2499 12.2499 k = 0.0000 0.0000 0.1932 ( 6854 PWs) bands (ev): -40.5574 -40.5574 -40.5526 -40.5526 -20.0629 -20.0629 -19.8668 -19.8668 -11.1250 -11.1250 -11.0556 -11.0556 -3.8773 -3.8773 -3.6683 -3.6683 -1.7936 -1.7936 -1.4522 -1.4522 -1.3870 -1.3870 -1.0333 -1.0333 2.1063 2.1063 2.9401 2.9401 3.6386 3.6386 3.6734 3.6734 9.2297 9.2297 9.2675 9.2675 12.3299 12.3299 k = 0.0000 0.0000 0.2024 ( 6858 PWs) bands (ev): -40.5572 -40.5572 -40.5528 -40.5528 -20.0561 -20.0561 -19.8747 -19.8747 -11.1204 -11.1204 -11.0563 -11.0563 -3.8810 -3.8810 -3.6917 -3.6917 -1.7588 -1.7588 -1.4469 -1.4469 -1.3743 -1.3743 -1.0472 -1.0472 2.1298 2.1298 2.8999 2.8999 3.6403 3.6403 3.6724 3.6724 9.2015 9.2015 9.2413 9.2413 12.4097 12.4097 k = 0.0000 0.0000 0.2116 ( 6842 PWs) bands (ev): -40.5570 -40.5570 -40.5529 -40.5529 -20.0489 -20.0489 -19.8828 -19.8828 -11.1158 -11.1158 -11.0572 -11.0572 -3.8839 -3.8839 -3.7138 -3.7138 -1.7256 -1.7256 -1.4428 -1.4428 -1.3611 -1.3611 -1.0613 -1.0613 2.1546 2.1546 2.8593 2.8593 3.6419 3.6419 3.6714 3.6714 9.1758 9.1758 9.2163 9.2163 12.4891 12.4891 k = 0.0000 0.0000 0.2208 ( 6844 PWs) bands (ev): -40.5568 -40.5568 -40.5531 -40.5531 -20.0416 -20.0416 -19.8910 -19.8910 -11.1113 -11.1113 -11.0583 -11.0583 -3.8860 -3.8860 -3.7345 -3.7345 -1.6938 -1.6938 -1.4400 -1.4400 -1.3476 -1.3476 -1.0758 -1.0758 2.1806 2.1806 2.8186 2.8186 3.6436 3.6436 3.6703 3.6703 9.1528 9.1528 9.1927 9.1927 12.5681 12.5681 k = 0.0000 0.0000 0.2300 ( 6846 PWs) bands (ev): -40.5566 -40.5566 -40.5533 -40.5533 -20.0341 -20.0341 -19.8994 -19.8994 -11.1068 -11.1068 -11.0595 -11.0595 -3.8873 -3.8873 -3.7539 -3.7539 -1.6637 -1.6637 -1.4386 -1.4386 -1.3338 -1.3338 -1.0906 -1.0906 2.2077 2.2077 2.7779 2.7779 3.6453 3.6453 3.6691 3.6691 9.1324 9.1324 9.1706 9.1706 12.6466 12.6466 k = 0.0000 0.0000 0.2392 ( 6842 PWs) bands (ev): -40.5564 -40.5564 -40.5535 -40.5535 -20.0264 -20.0264 -19.9078 -19.9078 -11.1025 -11.1025 -11.0609 -11.0609 -3.8877 -3.8877 -3.7720 -3.7720 -1.6353 -1.6353 -1.4388 -1.4388 -1.3196 -1.3196 -1.1056 -1.1056 2.2360 2.2360 2.7372 2.7372 3.6470 3.6470 3.6679 3.6679 9.1148 9.1148 9.1504 9.1504 12.7244 12.7244 k = 0.0000 0.0000 0.2484 ( 6838 PWs) bands (ev): -40.5562 -40.5562 -40.5537 -40.5537 -20.0185 -20.0185 -19.9164 -19.9164 -11.0983 -11.0983 -11.0625 -11.0625 -3.8871 -3.8871 -3.7887 -3.7887 -1.6087 -1.6087 -1.4406 -1.4406 -1.3051 -1.3051 -1.1208 -1.1208 2.2655 2.2655 2.6968 2.6968 3.6486 3.6486 3.6667 3.6667 9.0999 9.0999 9.1320 9.1320 12.8015 12.8015 k = 0.0000 0.0000 0.2576 ( 6834 PWs) bands (ev): -40.5560 -40.5560 -40.5539 -40.5539 -20.0104 -20.0104 -19.9250 -19.9250 -11.0943 -11.0943 -11.0644 -11.0644 -3.8856 -3.8856 -3.8040 -3.8040 -1.5840 -1.5840 -1.4441 -1.4441 -1.2904 -1.2904 -1.1361 -1.1361 2.2961 2.2961 2.6568 2.6568 3.6503 3.6503 3.6654 3.6654 9.0878 9.0878 9.1157 9.1157 12.8778 12.8778 k = 0.0000 0.0000 0.2668 ( 6838 PWs) bands (ev): -40.5558 -40.5558 -40.5541 -40.5541 -20.0022 -20.0022 -19.9336 -19.9336 -11.0904 -11.0904 -11.0664 -11.0664 -3.8829 -3.8829 -3.8180 -3.8180 -1.5611 -1.5611 -1.4493 -1.4493 -1.2754 -1.2754 -1.1516 -1.1516 2.3279 2.3279 2.6172 2.6172 3.6519 3.6519 3.6641 3.6641 9.0785 9.0785 9.1015 9.1015 12.9532 12.9532 k = 0.0000 0.0000 0.2760 ( 6842 PWs) bands (ev): -40.5556 -40.5556 -40.5543 -40.5543 -19.9939 -19.9939 -19.9423 -19.9423 -11.0867 -11.0867 -11.0687 -11.0687 -3.8791 -3.8791 -3.8306 -3.8306 -1.5402 -1.5402 -1.4565 -1.4565 -1.2602 -1.2602 -1.1671 -1.1671 2.3607 2.3607 2.5782 2.5782 3.6536 3.6536 3.6627 3.6627 9.0720 9.0720 9.0897 9.0897 13.0276 13.0276 k = 0.0000 0.0000 0.2852 ( 6842 PWs) bands (ev): -40.5554 -40.5554 -40.5545 -40.5545 -19.9855 -19.9855 -19.9510 -19.9510 -11.0832 -11.0832 -11.0711 -11.0711 -3.8741 -3.8741 -3.8419 -3.8419 -1.5213 -1.5213 -1.4655 -1.4655 -1.2449 -1.2449 -1.1827 -1.1827 2.3946 2.3946 2.5398 2.5398 3.6552 3.6552 3.6613 3.6613 9.0683 9.0683 9.0803 9.0803 13.1011 13.1011 k = 0.0000 0.0000 0.2944 ( 6832 PWs) bands (ev): -40.5552 -40.5552 -40.5547 -40.5547 -19.9770 -19.9770 -19.9597 -19.9597 -11.0799 -11.0799 -11.0738 -11.0738 -3.8680 -3.8680 -3.8519 -3.8519 -1.5043 -1.5043 -1.4765 -1.4765 -1.2295 -1.2295 -1.1983 -1.1983 2.4295 2.4295 2.5022 2.5022 3.6567 3.6567 3.6598 3.6598 9.0673 9.0673 9.0733 9.0733 13.1734 13.1734 k = 0.0000 0.0000 0.3036 ( 6834 PWs) bands (ev): -40.5549 -40.5549 -40.5549 -40.5549 -19.9684 -19.9684 -19.9684 -19.9684 -11.0767 -11.0767 -11.0767 -11.0767 -3.8606 -3.8606 -3.8606 -3.8606 -1.4894 -1.4894 -1.4894 -1.4894 -1.2139 -1.2139 -1.2139 -1.2139 2.4654 2.4654 2.4654 2.4654 3.6583 3.6583 3.6583 3.6583 9.0690 9.0690 9.0690 9.0690 13.2445 13.2445 k = 0.0000 0.0000 0.3036 ( 6834 PWs) bands (ev): -40.5549 -40.5549 -40.5549 -40.5549 -19.9684 -19.9684 -19.9684 -19.9684 -11.0767 -11.0767 -11.0767 -11.0767 -3.8606 -3.8606 -3.8606 -3.8606 -1.4894 -1.4894 -1.4894 -1.4894 -1.2139 -1.2139 -1.2139 -1.2139 2.4654 2.4654 2.4654 2.4654 3.6583 3.6583 3.6583 3.6583 9.0690 9.0690 9.0690 9.0690 13.2445 13.2445 k = 0.0093-0.0000 0.3036 ( 6836 PWs) bands (ev): -40.5549 -40.5549 -40.5549 -40.5549 -19.9682 -19.9682 -19.9682 -19.9682 -11.0765 -11.0765 -11.0765 -11.0765 -3.8603 -3.8603 -3.8603 -3.8603 -1.4907 -1.4907 -1.4896 -1.4896 -1.2153 -1.2153 -1.2140 -1.2140 2.4654 2.4654 2.4655 2.4655 3.6567 3.6567 3.6570 3.6570 9.0699 9.0699 9.0702 9.0702 13.2451 13.2452 k = 0.0185-0.0000 0.3036 ( 6836 PWs) bands (ev): -40.5549 -40.5549 -40.5549 -40.5549 -19.9678 -19.9678 -19.9678 -19.9678 -11.0759 -11.0759 -11.0759 -11.0759 -3.8595 -3.8595 -3.8594 -3.8594 -1.4936 -1.4936 -1.4914 -1.4914 -1.2182 -1.2182 -1.2156 -1.2156 2.4654 2.4654 2.4657 2.4657 3.6524 3.6524 3.6529 3.6529 9.0731 9.0731 9.0737 9.0737 13.2469 13.2469 k = 0.0278-0.0000 0.3036 ( 6832 PWs) bands (ev): -40.5549 -40.5549 -40.5549 -40.5549 -19.9670 -19.9670 -19.9670 -19.9670 -11.0748 -11.0748 -11.0748 -11.0748 -3.8581 -3.8581 -3.8580 -3.8580 -1.4981 -1.4981 -1.4947 -1.4947 -1.2225 -1.2225 -1.2186 -1.2186 2.4655 2.4655 2.4659 2.4659 3.6453 3.6453 3.6460 3.6460 9.0784 9.0784 9.0793 9.0793 13.2500 13.2500 k = 0.0370-0.0000 0.3036 ( 6838 PWs) bands (ev): -40.5548 -40.5548 -40.5548 -40.5548 -19.9660 -19.9660 -19.9660 -19.9660 -11.0732 -11.0732 -11.0732 -11.0732 -3.8562 -3.8562 -3.8560 -3.8560 -1.5043 -1.5043 -1.4998 -1.4998 -1.2281 -1.2281 -1.2229 -1.2229 2.4656 2.4656 2.4662 2.4662 3.6354 3.6354 3.6364 3.6364 9.0858 9.0858 9.0871 9.0871 13.2545 13.2545 k = 0.0463-0.0000 0.3036 ( 6842 PWs) bands (ev): -40.5547 -40.5547 -40.5547 -40.5547 -19.9646 -19.9646 -19.9646 -19.9646 -11.0713 -11.0713 -11.0713 -11.0713 -3.8537 -3.8537 -3.8535 -3.8535 -1.5123 -1.5123 -1.5068 -1.5068 -1.2347 -1.2347 -1.2283 -1.2283 2.4658 2.4658 2.4665 2.4665 3.6229 3.6229 3.6241 3.6241 9.0954 9.0954 9.0969 9.0969 13.2601 13.2601 k = 0.0556-0.0000 0.3036 ( 6838 PWs) bands (ev): -40.5546 -40.5546 -40.5546 -40.5546 -19.9630 -19.9630 -19.9630 -19.9630 -11.0689 -11.0689 -11.0689 -11.0689 -3.8507 -3.8507 -3.8504 -3.8504 -1.5223 -1.5223 -1.5157 -1.5157 -1.2422 -1.2422 -1.2346 -1.2346 2.4660 2.4660 2.4669 2.4669 3.6077 3.6077 3.6092 3.6092 9.1070 9.1070 9.1088 9.1088 13.2669 13.2669 k = 0.0648-0.0000 0.3036 ( 6854 PWs) bands (ev): -40.5545 -40.5545 -40.5545 -40.5545 -19.9610 -19.9610 -19.9610 -19.9610 -11.0661 -11.0661 -11.0661 -11.0661 -3.8471 -3.8471 -3.8468 -3.8468 -1.5344 -1.5344 -1.5269 -1.5269 -1.2502 -1.2502 -1.2415 -1.2415 2.4662 2.4662 2.4673 2.4673 3.5900 3.5900 3.5918 3.5918 9.1205 9.1205 9.1227 9.1227 13.2746 13.2746 k = 0.0741-0.0000 0.3036 ( 6846 PWs) bands (ev): -40.5544 -40.5544 -40.5544 -40.5544 -19.9588 -19.9588 -19.9588 -19.9588 -11.0629 -11.0629 -11.0629 -11.0629 -3.8430 -3.8430 -3.8427 -3.8427 -1.5488 -1.5488 -1.5404 -1.5404 -1.2586 -1.2586 -1.2489 -1.2489 2.4665 2.4665 2.4677 2.4677 3.5698 3.5698 3.5719 3.5719 9.1360 9.1360 9.1384 9.1384 13.2832 13.2832 k = 0.0833-0.0000 0.3036 ( 6846 PWs) bands (ev): -40.5542 -40.5542 -40.5542 -40.5542 -19.9564 -19.9564 -19.9564 -19.9564 -11.0593 -11.0593 -11.0592 -11.0592 -3.8384 -3.8384 -3.8380 -3.8380 -1.5657 -1.5657 -1.5565 -1.5565 -1.2670 -1.2670 -1.2564 -1.2564 2.4668 2.4668 2.4682 2.4682 3.5473 3.5473 3.5497 3.5497 9.1533 9.1533 9.1559 9.1559 13.2926 13.2926 k = 0.0926-0.0000 0.3036 ( 6842 PWs) bands (ev): -40.5540 -40.5540 -40.5540 -40.5540 -19.9536 -19.9536 -19.9536 -19.9536 -11.0553 -11.0553 -11.0552 -11.0552 -3.8332 -3.8332 -3.8328 -3.8328 -1.5850 -1.5850 -1.5753 -1.5753 -1.2752 -1.2752 -1.2639 -1.2639 2.4670 2.4670 2.4686 2.4686 3.5226 3.5226 3.5252 3.5252 9.1722 9.1722 9.1752 9.1752 13.3025 13.3025 k = 0.1019-0.0000 0.3036 ( 6834 PWs) bands (ev): -40.5539 -40.5539 -40.5539 -40.5539 -19.9506 -19.9506 -19.9506 -19.9506 -11.0509 -11.0509 -11.0509 -11.0509 -3.8276 -3.8276 -3.8271 -3.8271 -1.6069 -1.6069 -1.5968 -1.5968 -1.2831 -1.2831 -1.2712 -1.2712 2.4673 2.4673 2.4691 2.4691 3.4958 3.4958 3.4987 3.4987 9.1928 9.1928 9.1961 9.1961 13.3128 13.3128 k = 0.1111-0.0000 0.3036 ( 6834 PWs) bands (ev): -40.5537 -40.5537 -40.5537 -40.5537 -19.9474 -19.9474 -19.9474 -19.9474 -11.0462 -11.0462 -11.0461 -11.0461 -3.8214 -3.8214 -3.8210 -3.8210 -1.6315 -1.6315 -1.6210 -1.6210 -1.2905 -1.2905 -1.2781 -1.2781 2.4674 2.4674 2.4695 2.4695 3.4670 3.4670 3.4703 3.4703 9.2150 9.2150 9.2185 9.2185 13.3233 13.3233 k = 0.1204-0.0000 0.3036 ( 6838 PWs) bands (ev): -40.5534 -40.5534 -40.5534 -40.5534 -19.9439 -19.9439 -19.9439 -19.9439 -11.0411 -11.0411 -11.0410 -11.0410 -3.8148 -3.8148 -3.8143 -3.8143 -1.6585 -1.6585 -1.6479 -1.6479 -1.2973 -1.2973 -1.2846 -1.2846 2.4676 2.4676 2.4698 2.4698 3.4364 3.4364 3.4400 3.4400 9.2385 9.2385 9.2422 9.2422 13.3338 13.3338 k = 0.1296-0.0000 0.3036 ( 6846 PWs) bands (ev): -40.5532 -40.5532 -40.5532 -40.5532 -19.9402 -19.9402 -19.9402 -19.9402 -11.0357 -11.0357 -11.0356 -11.0356 -3.8077 -3.8077 -3.8072 -3.8072 -1.6879 -1.6879 -1.6773 -1.6773 -1.3035 -1.3035 -1.2907 -1.2907 2.4676 2.4676 2.4701 2.4701 3.4042 3.4042 3.4082 3.4082 9.2633 9.2633 9.2673 9.2673 13.3440 13.3440 k = 0.1389-0.0000 0.3036 ( 6856 PWs) bands (ev): -40.5530 -40.5530 -40.5530 -40.5530 -19.9363 -19.9363 -19.9363 -19.9363 -11.0300 -11.0300 -11.0299 -11.0299 -3.8002 -3.8002 -3.7996 -3.7996 -1.7197 -1.7197 -1.7091 -1.7091 -1.3091 -1.3091 -1.2963 -1.2963 2.4674 2.4674 2.4702 2.4702 3.3706 3.3706 3.3749 3.3749 9.2893 9.2893 9.2935 9.2935 13.3539 13.3539 k = 0.1481-0.0000 0.3036 ( 6868 PWs) bands (ev): -40.5527 -40.5527 -40.5527 -40.5527 -19.9321 -19.9321 -19.9321 -19.9321 -11.0239 -11.0239 -11.0238 -11.0238 -3.7922 -3.7922 -3.7916 -3.7916 -1.7536 -1.7536 -1.7432 -1.7432 -1.3143 -1.3143 -1.3014 -1.3014 2.4671 2.4671 2.4702 2.4702 3.3356 3.3356 3.3403 3.3403 9.3164 9.3164 9.3208 9.3208 13.3632 13.3632 k = 0.1574-0.0000 0.3036 ( 6864 PWs) bands (ev): -40.5525 -40.5525 -40.5525 -40.5525 -19.9278 -19.9278 -19.9278 -19.9278 -11.0176 -11.0176 -11.0175 -11.0175 -3.7838 -3.7838 -3.7831 -3.7831 -1.7894 -1.7894 -1.7792 -1.7792 -1.3189 -1.3189 -1.3061 -1.3061 2.4666 2.4666 2.4700 2.4700 3.2995 3.2995 3.3046 3.3046 9.3444 9.3444 9.3491 9.3491 13.3716 13.3716 k = 0.1667-0.0000 0.3036 ( 6864 PWs) bands (ev): -40.5522 -40.5522 -40.5522 -40.5522 -19.9233 -19.9233 -19.9233 -19.9233 -11.0110 -11.0110 -11.0110 -11.0110 -3.7749 -3.7749 -3.7742 -3.7742 -1.8270 -1.8270 -1.8170 -1.8170 -1.3231 -1.3231 -1.3105 -1.3105 2.4659 2.4659 2.4696 2.4696 3.2625 3.2625 3.2680 3.2680 9.3732 9.3732 9.3782 9.3782 13.3789 13.3789 k = 0.1759-0.0000 0.3036 ( 6868 PWs) bands (ev): -40.5519 -40.5519 -40.5519 -40.5519 -19.9187 -19.9187 -19.9187 -19.9187 -11.0042 -11.0042 -11.0041 -11.0041 -3.7657 -3.7657 -3.7650 -3.7650 -1.8661 -1.8661 -1.8564 -1.8564 -1.3269 -1.3269 -1.3144 -1.3144 2.4648 2.4648 2.4689 2.4689 3.2248 3.2248 3.2307 3.2307 9.4028 9.4028 9.4080 9.4080 13.3850 13.3850 k = 0.1852-0.0000 0.3036 ( 6872 PWs) bands (ev): -40.5516 -40.5516 -40.5516 -40.5516 -19.9139 -19.9139 -19.9139 -19.9139 -10.9972 -10.9972 -10.9971 -10.9971 -3.7561 -3.7561 -3.7554 -3.7554 -1.9066 -1.9066 -1.8972 -1.8972 -1.3304 -1.3304 -1.3181 -1.3181 2.4634 2.4634 2.4679 2.4679 3.1865 3.1865 3.1930 3.1930 9.4331 9.4331 9.4384 9.4384 13.3897 13.3897 k = 0.1944-0.0000 0.3036 ( 6876 PWs) bands (ev): -40.5513 -40.5513 -40.5513 -40.5513 -19.9090 -19.9090 -19.9090 -19.9090 -10.9900 -10.9900 -10.9899 -10.9899 -3.7462 -3.7462 -3.7454 -3.7454 -1.9482 -1.9482 -1.9391 -1.9391 -1.3336 -1.3336 -1.3215 -1.3215 2.4615 2.4615 2.4665 2.4665 3.1480 3.1480 3.1549 3.1549 9.4638 9.4638 9.4694 9.4694 13.3928 13.3928 k = 0.2037-0.0000 0.3036 ( 6888 PWs) bands (ev): -40.5510 -40.5510 -40.5510 -40.5510 -19.9039 -19.9039 -19.9039 -19.9039 -10.9826 -10.9826 -10.9825 -10.9825 -3.7359 -3.7359 -3.7350 -3.7350 -1.9909 -1.9909 -1.9820 -1.9820 -1.3366 -1.3366 -1.3246 -1.3246 2.4591 2.4591 2.4645 2.4645 3.1094 3.1094 3.1169 3.1169 9.4950 9.4950 9.5007 9.5007 13.3941 13.3941 k = 0.2130-0.0000 0.3036 ( 6888 PWs) bands (ev): -40.5507 -40.5507 -40.5507 -40.5507 -19.8988 -19.8988 -19.8988 -19.8988 -10.9751 -10.9751 -10.9749 -10.9749 -3.7253 -3.7253 -3.7244 -3.7244 -2.0343 -2.0343 -2.0257 -2.0257 -1.3394 -1.3394 -1.3276 -1.3276 2.4560 2.4560 2.4620 2.4620 3.0710 3.0710 3.0791 3.0791 9.5265 9.5265 9.5324 9.5324 13.3936 13.3936 k = 0.2222-0.0000 0.3036 ( 6890 PWs) bands (ev): -40.5504 -40.5504 -40.5504 -40.5504 -19.8936 -19.8936 -19.8936 -19.8936 -10.9674 -10.9674 -10.9673 -10.9673 -3.7143 -3.7143 -3.7134 -3.7134 -2.0784 -2.0784 -2.0701 -2.0701 -1.3421 -1.3421 -1.3304 -1.3304 2.4522 2.4522 2.4587 2.4587 3.0330 3.0330 3.0417 3.0417 9.5582 9.5582 9.5642 9.5642 13.3911 13.3911 k = 0.2315-0.0000 0.3036 ( 6894 PWs) bands (ev): -40.5501 -40.5501 -40.5501 -40.5501 -19.8883 -19.8883 -19.8883 -19.8883 -10.9596 -10.9596 -10.9595 -10.9595 -3.7031 -3.7031 -3.7022 -3.7022 -2.1229 -2.1229 -2.1148 -2.1148 -1.3445 -1.3445 -1.3330 -1.3330 2.4475 2.4475 2.4547 2.4547 2.9957 2.9957 3.0051 3.0051 9.5900 9.5900 9.5962 9.5962 13.3867 13.3867 k = 0.2407-0.0000 0.3036 ( 6878 PWs) bands (ev): -40.5498 -40.5498 -40.5498 -40.5498 -19.8830 -19.8830 -19.8830 -19.8830 -10.9518 -10.9518 -10.9517 -10.9517 -3.6916 -3.6916 -3.6907 -3.6907 -2.1677 -2.1677 -2.1599 -2.1599 -1.3469 -1.3469 -1.3355 -1.3355 2.4418 2.4418 2.4496 2.4496 2.9595 2.9595 2.9696 2.9696 9.6219 9.6219 9.6282 9.6282 13.3802 13.3802 k = 0.2500-0.0000 0.3036 ( 6890 PWs) bands (ev): -40.5495 -40.5495 -40.5495 -40.5495 -19.8777 -19.8777 -19.8776 -19.8776 -10.9439 -10.9439 -10.9438 -10.9438 -3.6799 -3.6799 -3.6790 -3.6790 -2.2127 -2.2127 -2.2050 -2.2050 -1.3492 -1.3492 -1.3379 -1.3379 2.4348 2.4348 2.4433 2.4433 2.9246 2.9246 2.9354 2.9354 9.6536 9.6536 9.6602 9.6602 13.3718 13.3718 k = 0.2593-0.0000 0.3036 ( 6882 PWs) bands (ev): -40.5491 -40.5491 -40.5491 -40.5491 -19.8723 -19.8723 -19.8723 -19.8723 -10.9360 -10.9360 -10.9359 -10.9359 -3.6679 -3.6679 -3.6670 -3.6670 -2.2577 -2.2577 -2.2502 -2.2502 -1.3513 -1.3513 -1.3402 -1.3402 2.4265 2.4265 2.4356 2.4356 2.8913 2.8913 2.9029 2.9029 9.6853 9.6853 9.6920 9.6920 13.3615 13.3615 k = 0.2685-0.0000 0.3036 ( 6884 PWs) bands (ev): -40.5488 -40.5488 -40.5488 -40.5488 -19.8669 -19.8669 -19.8669 -19.8669 -10.9281 -10.9281 -10.9280 -10.9280 -3.6557 -3.6557 -3.6548 -3.6548 -2.3025 -2.3025 -2.2952 -2.2952 -1.3534 -1.3534 -1.3424 -1.3424 2.4167 2.4167 2.4264 2.4264 2.8600 2.8600 2.8723 2.8723 9.7167 9.7167 9.7235 9.7235 13.3493 13.3493 k = 0.2778-0.0000 0.3036 ( 6876 PWs) bands (ev): -40.5485 -40.5485 -40.5485 -40.5485 -19.8616 -19.8616 -19.8616 -19.8616 -10.9203 -10.9203 -10.9201 -10.9201 -3.6434 -3.6434 -3.6424 -3.6424 -2.3470 -2.3470 -2.3399 -2.3399 -1.3554 -1.3554 -1.3445 -1.3445 2.4052 2.4052 2.4155 2.4155 2.8310 2.8310 2.8439 2.8439 9.7478 9.7478 9.7547 9.7547 13.3354 13.3354 k = 0.2870-0.0000 0.3036 ( 6876 PWs) bands (ev): -40.5482 -40.5482 -40.5482 -40.5482 -19.8563 -19.8563 -19.8563 -19.8563 -10.9125 -10.9125 -10.9123 -10.9123 -3.6308 -3.6308 -3.6298 -3.6298 -2.3912 -2.3912 -2.3842 -2.3842 -1.3574 -1.3574 -1.3465 -1.3465 2.3919 2.3919 2.4028 2.4028 2.8044 2.8044 2.8179 2.8179 9.7785 9.7785 9.7856 9.7856 13.3198 13.3198 k = 0.2963-0.0000 0.3036 ( 6880 PWs) bands (ev): -40.5479 -40.5479 -40.5479 -40.5479 -19.8511 -19.8511 -19.8511 -19.8511 -10.9047 -10.9047 -10.9046 -10.9046 -3.6181 -3.6181 -3.6171 -3.6171 -2.4348 -2.4348 -2.4279 -2.4279 -1.3592 -1.3592 -1.3485 -1.3485 2.3768 2.3768 2.3881 2.3881 2.7806 2.7806 2.7945 2.7945 9.8087 9.8087 9.8159 9.8159 13.3029 13.3029 k = 0.3056-0.0000 0.3036 ( 6876 PWs) bands (ev): -40.5476 -40.5476 -40.5476 -40.5476 -19.8460 -19.8460 -19.8460 -19.8460 -10.8971 -10.8971 -10.8970 -10.8970 -3.6052 -3.6052 -3.6042 -3.6042 -2.4778 -2.4778 -2.4710 -2.4710 -1.3611 -1.3611 -1.3504 -1.3504 2.3600 2.3600 2.3715 2.3715 2.7596 2.7596 2.7738 2.7738 9.8384 9.8384 9.8456 9.8456 13.2848 13.2848 k = 0.3148-0.0000 0.3036 ( 6880 PWs) bands (ev): -40.5473 -40.5473 -40.5473 -40.5473 -19.8410 -19.8410 -19.8409 -19.8409 -10.8897 -10.8897 -10.8895 -10.8895 -3.5922 -3.5922 -3.5912 -3.5912 -2.5200 -2.5200 -2.5134 -2.5134 -1.3628 -1.3628 -1.3522 -1.3522 2.3415 2.3415 2.3532 2.3532 2.7413 2.7413 2.7556 2.7556 9.8674 9.8674 9.8748 9.8748 13.2656 13.2656 k = 0.3241-0.0000 0.3036 ( 6884 PWs) bands (ev): -40.5470 -40.5470 -40.5470 -40.5470 -19.8361 -19.8361 -19.8360 -19.8360 -10.8824 -10.8824 -10.8822 -10.8822 -3.5791 -3.5791 -3.5781 -3.5781 -2.5615 -2.5615 -2.5549 -2.5549 -1.3646 -1.3646 -1.3540 -1.3540 2.3218 2.3218 2.3333 2.3333 2.7256 2.7256 2.7399 2.7399 9.8957 9.8957 9.9031 9.9031 13.2456 13.2456 k = 0.3333-0.0000 0.3036 ( 6880 PWs) bands (ev): -40.5467 -40.5467 -40.5467 -40.5467 -19.8313 -19.8313 -19.8312 -19.8312 -10.8753 -10.8753 -10.8751 -10.8751 -3.5658 -3.5658 -3.5649 -3.5649 -2.6020 -2.6020 -2.5955 -2.5955 -1.3662 -1.3662 -1.3557 -1.3557 2.3009 2.3009 2.3123 2.3123 2.7123 2.7123 2.7265 2.7265 9.9231 9.9231 9.9307 9.9307 13.2250 13.2250 k = 0.3426-0.0000 0.3036 ( 6884 PWs) bands (ev): -40.5464 -40.5464 -40.5464 -40.5464 -19.8266 -19.8266 -19.8266 -19.8266 -10.8684 -10.8684 -10.8683 -10.8683 -3.5525 -3.5525 -3.5516 -3.5516 -2.6414 -2.6414 -2.6350 -2.6350 -1.3678 -1.3678 -1.3573 -1.3573 2.2792 2.2792 2.2904 2.2904 2.7011 2.7011 2.7152 2.7152 9.9497 9.9497 9.9574 9.9574 13.2039 13.2039 k = 0.3519-0.0000 0.3036 ( 6880 PWs) bands (ev): -40.5462 -40.5462 -40.5462 -40.5462 -19.8222 -19.8222 -19.8221 -19.8221 -10.8618 -10.8618 -10.8616 -10.8616 -3.5391 -3.5391 -3.5382 -3.5382 -2.6798 -2.6798 -2.6734 -2.6734 -1.3693 -1.3693 -1.3589 -1.3589 2.2572 2.2572 2.2681 2.2681 2.6919 2.6919 2.7056 2.7056 9.9754 9.9754 9.9831 9.9831 13.1828 13.1828 k = 0.3611-0.0000 0.3036 ( 6888 PWs) bands (ev): -40.5459 -40.5459 -40.5459 -40.5459 -19.8179 -19.8179 -19.8179 -19.8179 -10.8554 -10.8554 -10.8553 -10.8553 -3.5257 -3.5257 -3.5248 -3.5248 -2.7170 -2.7170 -2.7107 -2.7107 -1.3708 -1.3708 -1.3604 -1.3604 2.2351 2.2351 2.2456 2.2456 2.6842 2.6842 2.6977 2.6977 10.0000 10.0000 10.0078 10.0078 13.1616 13.1616 k = 0.3704-0.0000 0.3036 ( 6888 PWs) bands (ev): -40.5457 -40.5457 -40.5457 -40.5457 -19.8138 -19.8138 -19.8138 -19.8138 -10.8494 -10.8494 -10.8492 -10.8492 -3.5122 -3.5122 -3.5114 -3.5114 -2.7530 -2.7530 -2.7466 -2.7466 -1.3722 -1.3722 -1.3618 -1.3618 2.2131 2.2131 2.2233 2.2233 2.6779 2.6779 2.6910 2.6910 10.0235 10.0235 10.0314 10.0314 13.1408 13.1408 k = 0.3796-0.0000 0.3036 ( 6888 PWs) bands (ev): -40.5455 -40.5455 -40.5455 -40.5455 -19.8099 -19.8099 -19.8099 -19.8099 -10.8436 -10.8436 -10.8434 -10.8434 -3.4987 -3.4987 -3.4980 -3.4980 -2.7876 -2.7876 -2.7812 -2.7812 -1.3735 -1.3735 -1.3631 -1.3631 2.1917 2.1917 2.2016 2.2016 2.6727 2.6727 2.6855 2.6855 10.0458 10.0458 10.0537 10.0537 13.1203 13.1203 k = 0.3889-0.0000 0.3036 ( 6874 PWs) bands (ev): -40.5452 -40.5452 -40.5452 -40.5452 -19.8063 -19.8063 -19.8063 -19.8063 -10.8382 -10.8382 -10.8380 -10.8380 -3.4853 -3.4853 -3.4847 -3.4847 -2.8207 -2.8207 -2.8143 -2.8143 -1.3748 -1.3748 -1.3644 -1.3644 2.1711 2.1711 2.1806 2.1806 2.6684 2.6684 2.6809 2.6809 10.0668 10.0668 10.0748 10.0748 13.1006 13.1006 k = 0.3981-0.0000 0.3036 ( 6874 PWs) bands (ev): -40.5450 -40.5450 -40.5450 -40.5450 -19.8029 -19.8029 -19.8029 -19.8029 -10.8331 -10.8331 -10.8329 -10.8329 -3.4720 -3.4720 -3.4714 -3.4714 -2.8524 -2.8524 -2.8460 -2.8460 -1.3759 -1.3759 -1.3656 -1.3656 2.1515 2.1515 2.1606 2.1606 2.6649 2.6649 2.6771 2.6771 10.0864 10.0864 10.0946 10.0946 13.0817 13.0817 k = 0.4074-0.0000 0.3036 ( 6870 PWs) bands (ev): -40.5448 -40.5448 -40.5448 -40.5448 -19.7997 -19.7997 -19.7997 -19.7997 -10.8284 -10.8284 -10.8282 -10.8282 -3.4588 -3.4588 -3.4583 -3.4583 -2.8825 -2.8825 -2.8759 -2.8759 -1.3770 -1.3770 -1.3667 -1.3667 2.1330 2.1330 2.1418 2.1418 2.6621 2.6621 2.6740 2.6740 10.1047 10.1047 10.1129 10.1129 13.0638 13.0645 k = 0.4167-0.0000 0.3036 ( 6858 PWs) bands (ev): -40.5447 -40.5447 -40.5447 -40.5447 -19.7969 -19.7969 -19.7968 -19.7968 -10.8241 -10.8241 -10.8239 -10.8239 -3.4458 -3.4458 -3.4455 -3.4455 -2.9108 -2.9108 -2.9042 -2.9042 -1.3780 -1.3780 -1.3677 -1.3677 2.1158 2.1158 2.1244 2.1244 2.6597 2.6597 2.6714 2.6714 10.1214 10.1214 10.1297 10.1297 13.0471 13.0471 k = 0.4259-0.0000 0.3036 ( 6864 PWs) bands (ev): -40.5445 -40.5445 -40.5445 -40.5445 -19.7942 -19.7942 -19.7942 -19.7942 -10.8202 -10.8202 -10.8200 -10.8200 -3.4331 -3.4331 -3.4330 -3.4330 -2.9372 -2.9372 -2.9305 -2.9305 -1.3789 -1.3789 -1.3686 -1.3686 2.1001 2.1001 2.1085 2.1085 2.6578 2.6578 2.6693 2.6693 10.1366 10.1366 10.1449 10.1449 13.0317 13.0317 k = 0.4352-0.0000 0.3036 ( 6868 PWs) bands (ev): -40.5444 -40.5444 -40.5444 -40.5444 -19.7919 -19.7919 -19.7919 -19.7919 -10.8167 -10.8167 -10.8165 -10.8165 -3.4210 -3.4210 -3.4209 -3.4209 -2.9617 -2.9617 -2.9548 -2.9548 -1.3797 -1.3797 -1.3694 -1.3694 2.0861 2.0861 2.0942 2.0942 2.6563 2.6563 2.6676 2.6676 10.1502 10.1502 10.1586 10.1586 13.0178 13.0178 k = 0.4444-0.0000 0.3036 ( 6868 PWs) bands (ev): -40.5443 -40.5443 -40.5443 -40.5443 -19.7899 -19.7899 -19.7898 -19.7898 -10.8137 -10.8137 -10.8135 -10.8135 -3.4096 -3.4096 -3.4095 -3.4095 -2.9838 -2.9838 -2.9768 -2.9768 -1.3804 -1.3804 -1.3702 -1.3702 2.0737 2.0737 2.0816 2.0816 2.6551 2.6551 2.6662 2.6662 10.1621 10.1621 10.1705 10.1705 13.0055 13.0055 k = 0.4537-0.0000 0.3036 ( 6860 PWs) bands (ev): -40.5442 -40.5442 -40.5442 -40.5442 -19.7882 -19.7882 -19.7881 -19.7881 -10.8111 -10.8111 -10.8109 -10.8109 -3.3992 -3.3992 -3.3988 -3.3988 -3.0035 -3.0035 -2.9963 -2.9963 -1.3810 -1.3810 -1.3708 -1.3708 2.0630 2.0630 2.0709 2.0709 2.6541 2.6541 2.6651 2.6651 10.1723 10.1723 10.1807 10.1807 12.9949 12.9949 k = 0.4630-0.0000 0.3036 ( 6864 PWs) bands (ev): -40.5441 -40.5441 -40.5441 -40.5441 -19.7867 -19.7867 -19.7867 -19.7867 -10.8090 -10.8090 -10.8088 -10.8088 -3.3899 -3.3899 -3.3894 -3.3894 -3.0204 -3.0204 -3.0130 -3.0130 -1.3815 -1.3815 -1.3713 -1.3713 2.0543 2.0543 2.0620 2.0620 2.6534 2.6534 2.6643 2.6643 10.1807 10.1807 10.1891 10.1891 12.9860 12.9861 k = 0.4722-0.0000 0.3036 ( 6872 PWs) bands (ev): -40.5440 -40.5440 -40.5440 -40.5440 -19.7856 -19.7856 -19.7856 -19.7856 -10.8073 -10.8073 -10.8071 -10.8071 -3.3822 -3.3822 -3.3815 -3.3815 -3.0341 -3.0341 -3.0266 -3.0266 -1.3819 -1.3819 -1.3717 -1.3717 2.0474 2.0474 2.0550 2.0550 2.6529 2.6529 2.6636 2.6636 10.1872 10.1872 10.1957 10.1957 12.9791 12.9791 k = 0.4815-0.0000 0.3036 ( 6868 PWs) bands (ev): -40.5440 -40.5440 -40.5440 -40.5440 -19.7848 -19.7848 -19.7848 -19.7848 -10.8061 -10.8061 -10.8059 -10.8059 -3.3763 -3.3763 -3.3755 -3.3755 -3.0443 -3.0443 -3.0366 -3.0366 -1.3822 -1.3822 -1.3719 -1.3719 2.0424 2.0424 2.0500 2.0500 2.6525 2.6525 2.6632 2.6632 10.1919 10.1919 10.2004 10.2004 12.9741 12.9741 k = 0.4907-0.0000 0.3036 ( 6856 PWs) bands (ev): -40.5439 -40.5439 -40.5439 -40.5439 -19.7843 -19.7843 -19.7843 -19.7843 -10.8054 -10.8054 -10.8052 -10.8052 -3.3726 -3.3726 -3.3717 -3.3717 -3.0505 -3.0505 -3.0428 -3.0428 -1.3823 -1.3823 -1.3721 -1.3721 2.0395 2.0395 2.0470 2.0470 2.6523 2.6523 2.6629 2.6629 10.1948 10.1948 10.2032 10.2032 12.9711 12.9711 k = 0.5000-0.0000 0.3036 ( 6856 PWs) bands (ev): -40.5439 -40.5439 -40.5439 -40.5439 -19.7842 -19.7842 -19.7841 -19.7841 -10.8052 -10.8052 -10.8050 -10.8050 -3.3714 -3.3714 -3.3704 -3.3704 -3.0526 -3.0526 -3.0448 -3.0448 -1.3824 -1.3824 -1.3722 -1.3722 2.0385 2.0385 2.0460 2.0460 2.6522 2.6522 2.6629 2.6629 10.1957 10.1957 10.2042 10.2042 12.9701 12.9701 k = 0.5000-0.0000 0.3036 ( 6856 PWs) bands (ev): -40.5439 -40.5439 -40.5439 -40.5439 -19.7842 -19.7842 -19.7841 -19.7841 -10.8052 -10.8052 -10.8050 -10.8050 -3.3714 -3.3714 -3.3704 -3.3704 -3.0526 -3.0526 -3.0448 -3.0448 -1.3824 -1.3824 -1.3722 -1.3722 2.0385 2.0385 2.0460 2.0460 2.6522 2.6522 2.6629 2.6629 10.1957 10.1957 10.2042 10.2042 12.9701 12.9701 k = 0.5000 0.0093 0.3036 ( 6860 PWs) bands (ev): -40.5439 -40.5439 -40.5439 -40.5439 -19.7841 -19.7841 -19.7841 -19.7841 -10.8055 -10.8055 -10.8053 -10.8053 -3.3727 -3.3727 -3.3718 -3.3718 -3.0504 -3.0504 -3.0427 -3.0427 -1.3837 -1.3837 -1.3734 -1.3734 2.0395 2.0395 2.0470 2.0470 2.6529 2.6529 2.6635 2.6635 10.1941 10.1941 10.2025 10.2025 12.9726 12.9726 k = 0.5000 0.0185 0.3036 ( 6864 PWs) bands (ev): -40.5439 -40.5439 -40.5439 -40.5439 -19.7839 -19.7839 -19.7839 -19.7839 -10.8066 -10.8066 -10.8064 -10.8064 -3.3766 -3.3766 -3.3758 -3.3758 -3.0439 -3.0439 -3.0363 -3.0363 -1.3874 -1.3874 -1.3772 -1.3772 2.0424 2.0424 2.0499 2.0499 2.6549 2.6549 2.6655 2.6655 10.1892 10.1892 10.1976 10.1976 12.9799 12.9799 k = 0.5000 0.0278 0.3036 ( 6872 PWs) bands (ev): -40.5439 -40.5439 -40.5439 -40.5439 -19.7836 -19.7836 -19.7835 -19.7835 -10.8084 -10.8084 -10.8082 -10.8082 -3.3827 -3.3827 -3.3821 -3.3821 -3.0334 -3.0334 -3.0261 -3.0261 -1.3937 -1.3937 -1.3835 -1.3835 2.0473 2.0473 2.0548 2.0548 2.6582 2.6582 2.6688 2.6688 10.1812 10.1812 10.1895 10.1895 12.9922 12.9922 k = 0.5000 0.0371 0.3036 ( 6884 PWs) bands (ev): -40.5439 -40.5439 -40.5439 -40.5439 -19.7831 -19.7831 -19.7831 -19.7831 -10.8109 -10.8109 -10.8107 -10.8107 -3.3905 -3.3905 -3.3902 -3.3902 -3.0195 -3.0195 -3.0124 -3.0124 -1.4023 -1.4023 -1.3922 -1.3922 2.0541 2.0541 2.0615 2.0615 2.6629 2.6629 2.6734 2.6734 10.1701 10.1701 10.1783 10.1783 13.0091 13.0091 k = 0.5000 0.0464 0.3036 ( 6892 PWs) bands (ev): -40.5439 -40.5439 -40.5439 -40.5439 -19.7825 -19.7825 -19.7825 -19.7825 -10.8140 -10.8140 -10.8138 -10.8138 -3.3996 -3.3996 -3.3995 -3.3995 -3.0027 -3.0027 -2.9960 -2.9960 -1.4134 -1.4134 -1.4033 -1.4033 2.0626 2.0626 2.0701 2.0701 2.6689 2.6689 2.6794 2.6794 10.1562 10.1562 10.1642 10.1642 13.0306 13.0306 k = 0.5000 0.0556 0.3036 ( 6888 PWs) bands (ev): -40.5439 -40.5439 -40.5439 -40.5439 -19.7818 -19.7818 -19.7818 -19.7818 -10.8179 -10.8179 -10.8177 -10.8177 -3.4097 -3.4097 -3.4094 -3.4094 -2.9836 -2.9836 -2.9772 -2.9772 -1.4267 -1.4267 -1.4167 -1.4167 2.0729 2.0729 2.0803 2.0803 2.6763 2.6763 2.6866 2.6866 10.1394 10.1394 10.1473 10.1473 13.0565 13.0565 k = 0.5000 0.0649 0.3036 ( 6892 PWs) bands (ev): -40.5439 -40.5439 -40.5439 -40.5439 -19.7810 -19.7810 -19.7810 -19.7810 -10.8223 -10.8223 -10.8221 -10.8221 -3.4202 -3.4202 -3.4196 -3.4196 -2.9626 -2.9626 -2.9564 -2.9564 -1.4422 -1.4422 -1.4323 -1.4323 2.0847 2.0847 2.0920 2.0920 2.6850 2.6850 2.6952 2.6952 10.1202 10.1202 10.1278 10.1278 13.0865 13.0865 k = 0.5000 0.0742 0.3036 ( 6888 PWs) bands (ev): -40.5439 -40.5439 -40.5439 -40.5439 -19.7801 -19.7801 -19.7800 -19.7800 -10.8274 -10.8274 -10.8272 -10.8272 -3.4307 -3.4307 -3.4298 -3.4298 -2.9400 -2.9400 -2.9342 -2.9342 -1.4598 -1.4598 -1.4500 -1.4500 2.0980 2.0980 2.1052 2.1052 2.6950 2.6950 2.7051 2.7051 10.0985 10.0985 10.1060 10.1060 13.1205 13.1205 k = 0.5000 0.0834 0.3036 ( 6888 PWs) bands (ev): -40.5439 -40.5439 -40.5439 -40.5439 -19.7790 -19.7790 -19.7790 -19.7790 -10.8331 -10.8331 -10.8329 -10.8329 -3.4409 -3.4409 -3.4399 -3.4399 -2.9164 -2.9164 -2.9108 -2.9108 -1.4793 -1.4793 -1.4696 -1.4696 2.1125 2.1125 2.1197 2.1197 2.7064 2.7064 2.7164 2.7164 10.0748 10.0748 10.0820 10.0820 13.1581 13.1581 k = 0.5000 0.0927 0.3036 ( 6884 PWs) bands (ev): -40.5439 -40.5439 -40.5439 -40.5439 -19.7779 -19.7779 -19.7778 -19.7778 -10.8392 -10.8392 -10.8391 -10.8391 -3.4507 -3.4507 -3.4494 -3.4494 -2.8918 -2.8918 -2.8864 -2.8864 -1.5006 -1.5006 -1.4911 -1.4911 2.1282 2.1282 2.1353 2.1353 2.7191 2.7191 2.7289 2.7289 10.0492 10.0492 10.0561 10.0561 13.1991 13.1992 k = 0.5000 0.1020 0.3036 ( 6884 PWs) bands (ev): -40.5439 -40.5439 -40.5439 -40.5439 -19.7766 -19.7766 -19.7766 -19.7766 -10.8459 -10.8459 -10.8457 -10.8457 -3.4599 -3.4599 -3.4584 -3.4584 -2.8665 -2.8665 -2.8614 -2.8614 -1.5236 -1.5236 -1.5142 -1.5142 2.1448 2.1448 2.1518 2.1518 2.7331 2.7331 2.7427 2.7427 10.0220 10.0220 10.0286 10.0286 13.2433 13.2433 k = 0.5000 0.1113 0.3036 ( 6876 PWs) bands (ev): -40.5439 -40.5439 -40.5439 -40.5439 -19.7753 -19.7753 -19.7753 -19.7753 -10.8531 -10.8531 -10.8529 -10.8529 -3.4683 -3.4683 -3.4667 -3.4667 -2.8408 -2.8408 -2.8359 -2.8359 -1.5482 -1.5482 -1.5389 -1.5389 2.1623 2.1623 2.1691 2.1691 2.7484 2.7484 2.7577 2.7577 9.9933 9.9933 9.9997 9.9997 13.2903 13.2903 k = 0.5000 0.1205 0.3036 ( 6868 PWs) bands (ev): -40.5439 -40.5439 -40.5439 -40.5439 -19.7739 -19.7739 -19.7739 -19.7739 -10.8606 -10.8606 -10.8604 -10.8604 -3.4759 -3.4759 -3.4741 -3.4741 -2.8148 -2.8148 -2.8101 -2.8101 -1.5741 -1.5741 -1.5650 -1.5650 2.1803 2.1803 2.1869 2.1869 2.7650 2.7650 2.7740 2.7740 9.9635 9.9635 9.9696 9.9696 13.3398 13.3398 k = 0.5000 0.1298 0.3036 ( 6856 PWs) bands (ev): -40.5438 -40.5438 -40.5438 -40.5438 -19.7724 -19.7724 -19.7724 -19.7724 -10.8685 -10.8685 -10.8683 -10.8683 -3.4826 -3.4826 -3.4807 -3.4807 -2.7887 -2.7887 -2.7842 -2.7842 -1.6013 -1.6013 -1.5923 -1.5923 2.1988 2.1988 2.2052 2.2052 2.7827 2.7827 2.7915 2.7915 9.9328 9.9328 9.9386 9.9386 13.3917 13.3917 k = 0.5000 0.1391 0.3036 ( 6868 PWs) bands (ev): -40.5438 -40.5438 -40.5438 -40.5438 -19.7709 -19.7709 -19.7708 -19.7708 -10.8767 -10.8767 -10.8766 -10.8766 -3.4883 -3.4883 -3.4863 -3.4863 -2.7626 -2.7626 -2.7583 -2.7583 -1.6295 -1.6295 -1.6207 -1.6207 2.2176 2.2176 2.2238 2.2238 2.8016 2.8016 2.8101 2.8101 9.9013 9.9013 9.9068 9.9068 13.4455 13.4455 k = 0.5000 0.1483 0.3036 ( 6876 PWs) bands (ev): -40.5438 -40.5438 -40.5438 -40.5438 -19.7693 -19.7693 -19.7693 -19.7693 -10.8852 -10.8852 -10.8851 -10.8851 -3.4931 -3.4931 -3.4910 -3.4910 -2.7366 -2.7366 -2.7325 -2.7325 -1.6586 -1.6586 -1.6500 -1.6500 2.2365 2.2365 2.2425 2.2425 2.8216 2.8216 2.8298 2.8298 9.8692 9.8692 9.8745 9.8745 13.5011 13.5011 k = 0.5000 0.1576 0.3036 ( 6876 PWs) bands (ev): -40.5438 -40.5438 -40.5438 -40.5438 -19.7676 -19.7676 -19.7676 -19.7676 -10.8939 -10.8939 -10.8937 -10.8937 -3.4968 -3.4968 -3.4947 -3.4947 -2.7109 -2.7109 -2.7069 -2.7069 -1.6885 -1.6885 -1.6800 -1.6800 2.2554 2.2554 2.2611 2.2611 2.8426 2.8426 2.8504 2.8504 9.8369 9.8369 9.8419 9.8419 13.5581 13.5581 k = 0.5000 0.1669 0.3036 ( 6876 PWs) bands (ev): -40.5438 -40.5438 -40.5438 -40.5438 -19.7660 -19.7660 -19.7660 -19.7660 -10.9027 -10.9027 -10.9026 -10.9026 -3.4996 -3.4996 -3.4974 -3.4974 -2.6856 -2.6856 -2.6817 -2.6817 -1.7189 -1.7189 -1.7106 -1.7106 2.2741 2.2741 2.2795 2.2795 2.8645 2.8645 2.8719 2.8719 9.8045 9.8045 9.8092 9.8092 13.6163 13.6163 k = 0.5000 0.1762 0.3036 ( 6864 PWs) bands (ev): -40.5438 -40.5438 -40.5438 -40.5438 -19.7643 -19.7643 -19.7643 -19.7643 -10.9117 -10.9117 -10.9115 -10.9115 -3.5014 -3.5014 -3.4991 -3.4991 -2.6607 -2.6607 -2.6570 -2.6570 -1.7497 -1.7497 -1.7416 -1.7416 2.2925 2.2925 2.2977 2.2977 2.8872 2.8872 2.8942 2.8942 9.7721 9.7721 9.7766 9.7766 13.6754 13.6754 k = 0.5000 0.1854 0.3036 ( 6868 PWs) bands (ev): -40.5438 -40.5438 -40.5438 -40.5438 -19.7626 -19.7626 -19.7626 -19.7626 -10.9207 -10.9207 -10.9205 -10.9205 -3.5023 -3.5023 -3.4999 -3.4999 -2.6365 -2.6365 -2.6329 -2.6329 -1.7808 -1.7808 -1.7729 -1.7729 2.3106 2.3106 2.3154 2.3154 2.9106 2.9106 2.9172 2.9172 9.7399 9.7399 9.7441 9.7441 13.7352 13.7352 k = 0.5000 0.1947 0.3036 ( 6872 PWs) bands (ev): -40.5438 -40.5438 -40.5438 -40.5438 -19.7609 -19.7609 -19.7609 -19.7609 -10.9296 -10.9296 -10.9295 -10.9295 -3.5022 -3.5022 -3.4999 -3.4999 -2.6128 -2.6128 -2.6094 -2.6094 -1.8119 -1.8119 -1.8042 -1.8042 2.3282 2.3282 2.3327 2.3327 2.9344 2.9344 2.9406 2.9406 9.7081 9.7081 9.7121 9.7121 13.7953 13.7953 k = 0.5000 0.2040 0.3036 ( 6872 PWs) bands (ev): -40.5438 -40.5438 -40.5438 -40.5438 -19.7592 -19.7592 -19.7592 -19.7592 -10.9385 -10.9385 -10.9384 -10.9384 -3.5013 -3.5013 -3.4989 -3.4989 -2.5899 -2.5899 -2.5866 -2.5866 -1.8429 -1.8429 -1.8355 -1.8355 2.3451 2.3451 2.3494 2.3494 2.9586 2.9586 2.9644 2.9644 9.6769 9.6769 9.6807 9.6807 13.8554 13.8554 k = 0.5000 0.2132 0.3036 ( 6884 PWs) bands (ev): -40.5438 -40.5438 -40.5438 -40.5438 -19.7575 -19.7575 -19.7575 -19.7575 -10.9473 -10.9473 -10.9472 -10.9472 -3.4996 -3.4996 -3.4972 -3.4972 -2.5679 -2.5679 -2.5647 -2.5647 -1.8737 -1.8737 -1.8665 -1.8665 2.3615 2.3615 2.3654 2.3654 2.9829 2.9829 2.9883 2.9883 9.6464 9.6464 9.6499 9.6499 13.9153 13.9153 k = 0.5000 0.2225 0.3036 ( 6888 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7559 -19.7559 -19.7558 -19.7558 -10.9559 -10.9559 -10.9557 -10.9557 -3.4971 -3.4971 -3.4947 -3.4947 -2.5467 -2.5467 -2.5436 -2.5436 -1.9041 -1.9041 -1.8971 -1.8971 2.3772 2.3772 2.3808 2.3808 3.0072 3.0072 3.0122 3.0122 9.6168 9.6168 9.6201 9.6201 13.9745 13.9745 k = 0.5000 0.2318 0.3036 ( 6888 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7543 -19.7543 -19.7542 -19.7542 -10.9642 -10.9642 -10.9641 -10.9641 -3.4939 -3.4939 -3.4916 -3.4916 -2.5265 -2.5265 -2.5235 -2.5235 -1.9338 -1.9338 -1.9271 -1.9271 2.3921 2.3921 2.3954 2.3954 3.0313 3.0313 3.0359 3.0359 9.5882 9.5882 9.5912 9.5912 14.0327 14.0328 k = 0.5000 0.2411 0.3036 ( 6888 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7527 -19.7527 -19.7527 -19.7527 -10.9723 -10.9723 -10.9722 -10.9722 -3.4902 -3.4902 -3.4879 -3.4879 -2.5072 -2.5072 -2.5044 -2.5044 -1.9628 -1.9628 -1.9563 -1.9563 2.4062 2.4062 2.4092 2.4092 3.0550 3.0550 3.0592 3.0592 9.5607 9.5607 9.5635 9.5635 14.0895 14.0896 k = 0.5000 0.2503 0.3036 ( 6892 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7512 -19.7512 -19.7512 -19.7512 -10.9801 -10.9801 -10.9800 -10.9800 -3.4860 -3.4860 -3.4838 -3.4838 -2.4891 -2.4891 -2.4864 -2.4864 -1.9908 -1.9908 -1.9846 -1.9846 2.4194 2.4194 2.4221 2.4221 3.0782 3.0782 3.0820 3.0820 9.5345 9.5345 9.5371 9.5371 14.1445 14.1446 k = 0.5000 0.2596 0.3036 ( 6892 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7498 -19.7498 -19.7498 -19.7498 -10.9874 -10.9874 -10.9874 -10.9874 -3.4814 -3.4814 -3.4792 -3.4792 -2.4721 -2.4721 -2.4695 -2.4695 -2.0177 -2.0177 -2.0118 -2.0118 2.4318 2.4318 2.4343 2.4343 3.1005 3.1005 3.1040 3.1040 9.5096 9.5096 9.5120 9.5120 14.1972 14.1998 k = 0.5000 0.2689 0.3036 ( 6896 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7484 -19.7484 -19.7484 -19.7484 -10.9944 -10.9944 -10.9943 -10.9943 -3.4765 -3.4765 -3.4744 -3.4744 -2.4562 -2.4562 -2.4538 -2.4538 -2.0433 -2.0433 -2.0378 -2.0378 2.4433 2.4433 2.4455 2.4455 3.1219 3.1219 3.1250 3.1250 9.4863 9.4863 9.4885 9.4885 14.2469 14.2516 k = 0.5000 0.2782 0.3036 ( 6892 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7472 -19.7472 -19.7472 -19.7472 -11.0009 -11.0009 -11.0008 -11.0008 -3.4714 -3.4714 -3.4694 -3.4694 -2.4416 -2.4416 -2.4393 -2.4393 -2.0675 -2.0675 -2.0622 -2.0622 2.4539 2.4539 2.4558 2.4558 3.1421 3.1421 3.1449 3.1449 9.4647 9.4647 9.4666 9.4666 14.2934 14.2946 k = 0.5000 0.2874 0.3036 ( 6896 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7460 -19.7460 -19.7460 -19.7460 -11.0069 -11.0069 -11.0068 -11.0068 -3.4663 -3.4663 -3.4645 -3.4645 -2.4282 -2.4282 -2.4260 -2.4260 -2.0900 -2.0900 -2.0851 -2.0851 2.4635 2.4635 2.4652 2.4652 3.1610 3.1610 3.1635 3.1635 9.4447 9.4447 9.4464 9.4464 14.3349 14.3355 k = 0.5000 0.2967 0.3036 ( 6904 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7449 -19.7449 -19.7449 -19.7449 -11.0124 -11.0124 -11.0123 -11.0123 -3.4612 -3.4612 -3.4596 -3.4596 -2.4162 -2.4162 -2.4141 -2.4141 -2.1107 -2.1107 -2.1062 -2.1062 2.4722 2.4722 2.4737 2.4737 3.1784 3.1784 3.1805 3.1805 9.4266 9.4266 9.4281 9.4281 14.3719 14.3721 k = 0.5000 0.3060 0.3036 ( 6908 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7440 -19.7440 -19.7440 -19.7440 -11.0173 -11.0173 -11.0172 -11.0172 -3.4564 -3.4564 -3.4549 -3.4549 -2.4054 -2.4054 -2.4035 -2.4035 -2.1294 -2.1294 -2.1253 -2.1253 2.4799 2.4799 2.4812 2.4812 3.1941 3.1941 3.1960 3.1960 9.4104 9.4104 9.4117 9.4117 14.4031 14.4040 k = 0.5000 0.3152 0.3036 ( 6912 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7431 -19.7431 -19.7431 -19.7431 -11.0216 -11.0216 -11.0215 -11.0215 -3.4519 -3.4519 -3.4506 -3.4506 -2.3960 -2.3960 -2.3942 -2.3942 -2.1459 -2.1459 -2.1423 -2.1423 2.4866 2.4866 2.4877 2.4877 3.2081 3.2081 3.2097 3.2097 9.3961 9.3961 9.3973 9.3973 14.4292 14.4347 k = 0.5000 0.3245 0.3036 ( 6904 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7424 -19.7424 -19.7424 -19.7424 -11.0253 -11.0253 -11.0252 -11.0252 -3.4478 -3.4478 -3.4467 -3.4467 -2.3879 -2.3879 -2.3864 -2.3864 -2.1602 -2.1602 -2.1570 -2.1570 2.4923 2.4923 2.4932 2.4932 3.2202 3.2202 3.2215 3.2215 9.3840 9.3840 9.3850 9.3850 14.4479 14.4534 k = 0.5000 0.3338 0.3036 ( 6912 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7418 -19.7418 -19.7418 -19.7418 -11.0283 -11.0283 -11.0283 -11.0283 -3.4443 -3.4443 -3.4434 -3.4434 -2.3812 -2.3812 -2.3799 -2.3799 -2.1720 -2.1720 -2.1694 -2.1694 2.4970 2.4970 2.4977 2.4977 3.2302 3.2302 3.2312 3.2312 9.3740 9.3740 9.3748 9.3748 14.4607 14.4647 k = 0.5000 0.3431 0.3036 ( 6904 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7413 -19.7413 -19.7413 -19.7413 -11.0307 -11.0307 -11.0307 -11.0307 -3.4414 -3.4414 -3.4407 -3.4407 -2.3759 -2.3759 -2.3749 -2.3749 -2.1812 -2.1812 -2.1792 -2.1792 2.5007 2.5007 2.5012 2.5012 3.2381 3.2381 3.2389 3.2389 9.3662 9.3662 9.3668 9.3668 14.4700 14.4703 k = 0.5000 0.3523 0.3036 ( 6900 PWs) bands (ev): -40.5436 -40.5436 -40.5436 -40.5436 -19.7410 -19.7410 -19.7410 -19.7410 -11.0324 -11.0324 -11.0324 -11.0324 -3.4393 -3.4393 -3.4388 -3.4388 -2.3721 -2.3721 -2.3714 -2.3714 -2.1878 -2.1878 -2.1864 -2.1864 2.5034 2.5034 2.5037 2.5037 3.2439 3.2439 3.2444 3.2444 9.3606 9.3606 9.3610 9.3610 14.4765 14.4776 k = 0.5000 0.3616 0.3036 ( 6896 PWs) bands (ev): -40.5436 -40.5436 -40.5436 -40.5436 -19.7408 -19.7408 -19.7408 -19.7408 -11.0335 -11.0335 -11.0335 -11.0335 -3.4379 -3.4379 -3.4376 -3.4376 -2.3697 -2.3697 -2.3694 -2.3694 -2.1916 -2.1916 -2.1909 -2.1909 2.5050 2.5050 2.5052 2.5052 3.2474 3.2474 3.2477 3.2477 9.3573 9.3573 9.3575 9.3575 14.4799 14.4802 k = 0.5000 0.3709 0.3036 ( 6896 PWs) bands (ev): -40.5436 -40.5436 -40.5436 -40.5436 -19.7407 -19.7407 -19.7407 -19.7407 -11.0338 -11.0338 -11.0338 -11.0338 -3.4373 -3.4373 -3.4373 -3.4373 -2.3688 -2.3688 -2.3688 -2.3688 -2.1927 -2.1927 -2.1927 -2.1927 2.5056 2.5056 2.5056 2.5056 3.2487 3.2487 3.2487 3.2487 9.3562 9.3562 9.3562 9.3562 14.4802 14.4802 k = 0.5000 0.3709 0.3036 ( 6896 PWs) bands (ev): -40.5436 -40.5436 -40.5436 -40.5436 -19.7407 -19.7407 -19.7407 -19.7407 -11.0338 -11.0338 -11.0338 -11.0338 -3.4373 -3.4373 -3.4373 -3.4373 -2.3688 -2.3688 -2.3688 -2.3688 -2.1927 -2.1927 -2.1927 -2.1927 2.5056 2.5056 2.5056 2.5056 3.2487 3.2487 3.2487 3.2487 9.3562 9.3562 9.3562 9.3562 14.4802 14.4802 k = 0.4907 0.3709 0.3036 ( 6904 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7409 -19.7409 -19.7409 -19.7409 -11.0340 -11.0340 -11.0340 -11.0340 -3.4369 -3.4369 -3.4369 -3.4369 -2.3682 -2.3682 -2.3682 -2.3682 -2.1926 -2.1926 -2.1926 -2.1926 2.5063 2.5063 2.5063 2.5063 3.2484 3.2484 3.2484 3.2484 9.3566 9.3566 9.3566 9.3566 14.4768 14.4768 k = 0.4815 0.3709 0.3036 ( 6904 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7414 -19.7414 -19.7414 -19.7414 -11.0346 -11.0346 -11.0346 -11.0346 -3.4354 -3.4354 -3.4354 -3.4354 -2.3666 -2.3666 -2.3666 -2.3666 -2.1925 -2.1925 -2.1925 -2.1925 2.5084 2.5084 2.5084 2.5084 3.2477 3.2477 3.2477 3.2477 9.3577 9.3577 9.3577 9.3577 14.4667 14.4667 k = 0.4722 0.3709 0.3036 ( 6904 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7423 -19.7423 -19.7423 -19.7423 -11.0356 -11.0356 -11.0356 -11.0356 -3.4330 -3.4330 -3.4330 -3.4330 -2.3638 -2.3638 -2.3638 -2.3638 -2.1923 -2.1923 -2.1923 -2.1923 2.5118 2.5118 2.5118 2.5118 3.2466 3.2466 3.2466 3.2466 9.3596 9.3596 9.3596 9.3596 14.4500 14.4500 k = 0.4630 0.3709 0.3036 ( 6912 PWs) bands (ev): -40.5438 -40.5438 -40.5438 -40.5438 -19.7436 -19.7436 -19.7436 -19.7436 -11.0369 -11.0369 -11.0369 -11.0369 -3.4296 -3.4296 -3.4296 -3.4296 -2.3598 -2.3598 -2.3598 -2.3598 -2.1920 -2.1920 -2.1920 -2.1920 2.5166 2.5166 2.5166 2.5166 3.2450 3.2450 3.2450 3.2450 9.3621 9.3621 9.3621 9.3621 14.4270 14.4270 k = 0.4537 0.3709 0.3036 ( 6904 PWs) bands (ev): -40.5439 -40.5439 -40.5439 -40.5439 -19.7452 -19.7452 -19.7452 -19.7452 -11.0387 -11.0387 -11.0387 -11.0387 -3.4254 -3.4254 -3.4254 -3.4254 -2.3547 -2.3547 -2.3547 -2.3547 -2.1917 -2.1917 -2.1917 -2.1917 2.5228 2.5228 2.5228 2.5228 3.2429 3.2429 3.2429 3.2429 9.3654 9.3654 9.3654 9.3654 14.3980 14.3980 k = 0.4444 0.3709 0.3036 ( 6900 PWs) bands (ev): -40.5440 -40.5440 -40.5440 -40.5440 -19.7471 -19.7471 -19.7471 -19.7471 -11.0408 -11.0408 -11.0408 -11.0408 -3.4203 -3.4203 -3.4203 -3.4203 -2.3483 -2.3483 -2.3483 -2.3483 -2.1913 -2.1913 -2.1913 -2.1913 2.5303 2.5303 2.5303 2.5303 3.2404 3.2404 3.2404 3.2404 9.3694 9.3694 9.3694 9.3694 14.3634 14.3634 k = 0.4352 0.3709 0.3036 ( 6900 PWs) bands (ev): -40.5441 -40.5441 -40.5441 -40.5441 -19.7493 -19.7493 -19.7493 -19.7493 -11.0433 -11.0433 -11.0433 -11.0433 -3.4145 -3.4145 -3.4145 -3.4145 -2.3407 -2.3407 -2.3407 -2.3407 -2.1908 -2.1908 -2.1908 -2.1908 2.5392 2.5392 2.5392 2.5392 3.2374 3.2374 3.2374 3.2374 9.3740 9.3740 9.3740 9.3740 14.3236 14.3236 k = 0.4259 0.3709 0.3036 ( 6896 PWs) bands (ev): -40.5442 -40.5442 -40.5442 -40.5442 -19.7519 -19.7519 -19.7519 -19.7519 -11.0461 -11.0461 -11.0461 -11.0461 -3.4079 -3.4079 -3.4079 -3.4079 -2.3318 -2.3318 -2.3318 -2.3318 -2.1903 -2.1903 -2.1903 -2.1903 2.5494 2.5494 2.5494 2.5494 3.2340 3.2340 3.2340 3.2340 9.3794 9.3794 9.3794 9.3794 14.2790 14.2790 k = 0.4167 0.3709 0.3036 ( 6888 PWs) bands (ev): -40.5444 -40.5444 -40.5444 -40.5444 -19.7548 -19.7548 -19.7548 -19.7548 -11.0493 -11.0493 -11.0493 -11.0493 -3.4008 -3.4008 -3.4008 -3.4008 -2.3216 -2.3216 -2.3216 -2.3216 -2.1897 -2.1897 -2.1897 -2.1897 2.5609 2.5609 2.5609 2.5609 3.2302 3.2302 3.2302 3.2302 9.3853 9.3853 9.3853 9.3853 14.2300 14.2300 k = 0.4074 0.3709 0.3036 ( 6888 PWs) bands (ev): -40.5445 -40.5445 -40.5445 -40.5445 -19.7580 -19.7580 -19.7580 -19.7580 -11.0528 -11.0528 -11.0528 -11.0528 -3.3931 -3.3931 -3.3931 -3.3931 -2.3100 -2.3100 -2.3100 -2.3100 -2.1891 -2.1891 -2.1891 -2.1891 2.5736 2.5736 2.5736 2.5736 3.2260 3.2260 3.2260 3.2260 9.3918 9.3918 9.3918 9.3918 14.1771 14.1771 k = 0.3981 0.3709 0.3036 ( 6884 PWs) bands (ev): -40.5447 -40.5447 -40.5447 -40.5447 -19.7615 -19.7615 -19.7615 -19.7615 -11.0566 -11.0566 -11.0566 -11.0566 -3.3850 -3.3850 -3.3850 -3.3850 -2.2970 -2.2970 -2.2970 -2.2970 -2.1884 -2.1884 -2.1884 -2.1884 2.5876 2.5876 2.5876 2.5876 3.2215 3.2215 3.2215 3.2215 9.3990 9.3990 9.3990 9.3990 14.1207 14.1207 k = 0.3889 0.3709 0.3036 ( 6888 PWs) bands (ev): -40.5449 -40.5449 -40.5449 -40.5449 -19.7653 -19.7653 -19.7653 -19.7653 -11.0608 -11.0608 -11.0608 -11.0608 -3.3766 -3.3766 -3.3766 -3.3766 -2.2825 -2.2825 -2.2825 -2.2825 -2.1876 -2.1876 -2.1876 -2.1876 2.6028 2.6028 2.6028 2.6028 3.2165 3.2165 3.2165 3.2165 9.4066 9.4066 9.4066 9.4066 14.0610 14.0610 k = 0.3796 0.3709 0.3036 ( 6888 PWs) bands (ev): -40.5451 -40.5451 -40.5451 -40.5451 -19.7694 -19.7694 -19.7694 -19.7694 -11.0652 -11.0652 -11.0652 -11.0652 -3.3679 -3.3679 -3.3679 -3.3679 -2.2666 -2.2666 -2.2666 -2.2666 -2.1868 -2.1868 -2.1868 -2.1868 2.6192 2.6192 2.6192 2.6192 3.2112 3.2112 3.2112 3.2112 9.4148 9.4148 9.4148 9.4148 13.9984 13.9984 k = 0.3704 0.3709 0.3036 ( 6884 PWs) bands (ev): -40.5453 -40.5453 -40.5453 -40.5453 -19.7737 -19.7737 -19.7737 -19.7737 -11.0699 -11.0699 -11.0699 -11.0699 -3.3591 -3.3591 -3.3591 -3.3591 -2.2491 -2.2491 -2.2491 -2.2491 -2.1859 -2.1859 -2.1859 -2.1859 2.6367 2.6367 2.6367 2.6367 3.2056 3.2056 3.2056 3.2056 9.4235 9.4235 9.4235 9.4235 13.9332 13.9332 k = 0.3611 0.3709 0.3036 ( 6880 PWs) bands (ev): -40.5456 -40.5456 -40.5456 -40.5456 -19.7782 -19.7782 -19.7782 -19.7782 -11.0749 -11.0749 -11.0749 -11.0749 -3.3503 -3.3503 -3.3503 -3.3503 -2.2303 -2.2303 -2.2303 -2.2303 -2.1847 -2.1847 -2.1847 -2.1847 2.6554 2.6554 2.6554 2.6554 3.1996 3.1996 3.1996 3.1996 9.4326 9.4326 9.4326 9.4326 13.8658 13.8658 k = 0.3519 0.3709 0.3036 ( 6872 PWs) bands (ev): -40.5458 -40.5458 -40.5458 -40.5458 -19.7829 -19.7829 -19.7829 -19.7829 -11.0801 -11.0801 -11.0801 -11.0801 -3.3415 -3.3415 -3.3415 -3.3415 -2.2107 -2.2107 -2.2107 -2.2107 -2.1827 -2.1827 -2.1827 -2.1827 2.6751 2.6751 2.6751 2.6751 3.1934 3.1934 3.1934 3.1934 9.4421 9.4421 9.4421 9.4421 13.7963 13.7963 k = 0.3426 0.3709 0.3036 ( 6868 PWs) bands (ev): -40.5461 -40.5461 -40.5461 -40.5461 -19.7879 -19.7879 -19.7879 -19.7879 -11.0855 -11.0855 -11.0855 -11.0855 -3.3329 -3.3329 -3.3329 -3.3329 -2.1939 -2.1939 -2.1939 -2.1939 -2.1762 -2.1762 -2.1762 -2.1762 2.6958 2.6958 2.6958 2.6958 3.1869 3.1869 3.1869 3.1869 9.4519 9.4519 9.4519 9.4519 13.7250 13.7250 k = 0.3333 0.3709 0.3036 ( 6880 PWs) bands (ev): -40.5463 -40.5463 -40.5463 -40.5463 -19.7930 -19.7930 -19.7930 -19.7930 -11.0911 -11.0911 -11.0911 -11.0911 -3.3245 -3.3245 -3.3245 -3.3245 -2.1876 -2.1876 -2.1876 -2.1876 -2.1576 -2.1576 -2.1576 -2.1576 2.7174 2.7174 2.7174 2.7174 3.1801 3.1801 3.1801 3.1801 9.4621 9.4621 9.4621 9.4621 13.6521 13.6521 k = 0.3241 0.3709 0.3036 ( 6892 PWs) bands (ev): -40.5466 -40.5466 -40.5466 -40.5466 -19.7983 -19.7983 -19.7983 -19.7983 -11.0969 -11.0969 -11.0969 -11.0969 -3.3164 -3.3164 -3.3164 -3.3164 -2.1857 -2.1857 -2.1857 -2.1857 -2.1330 -2.1330 -2.1330 -2.1330 2.7400 2.7400 2.7400 2.7400 3.1732 3.1732 3.1732 3.1732 9.4725 9.4725 9.4725 9.4725 13.5778 13.5778 k = 0.3148 0.3709 0.3036 ( 6888 PWs) bands (ev): -40.5469 -40.5469 -40.5469 -40.5469 -19.8038 -19.8038 -19.8038 -19.8038 -11.1029 -11.1029 -11.1029 -11.1029 -3.3087 -3.3087 -3.3087 -3.3087 -2.1847 -2.1847 -2.1847 -2.1847 -2.1059 -2.1059 -2.1059 -2.1059 2.7634 2.7634 2.7634 2.7634 3.1660 3.1660 3.1660 3.1660 9.4831 9.4831 9.4831 9.4831 13.5024 13.5024 k = 0.3056 0.3709 0.3036 ( 6892 PWs) bands (ev): -40.5472 -40.5472 -40.5472 -40.5472 -19.8094 -19.8094 -19.8094 -19.8094 -11.1089 -11.1089 -11.1089 -11.1089 -3.3013 -3.3013 -3.3013 -3.3013 -2.1839 -2.1839 -2.1839 -2.1839 -2.0770 -2.0770 -2.0770 -2.0770 2.7876 2.7876 2.7876 2.7876 3.1587 3.1587 3.1587 3.1587 9.4940 9.4940 9.4940 9.4940 13.4260 13.4260 k = 0.2963 0.3709 0.3036 ( 6892 PWs) bands (ev): -40.5475 -40.5475 -40.5475 -40.5475 -19.8151 -19.8151 -19.8151 -19.8151 -11.1151 -11.1151 -11.1151 -11.1151 -3.2945 -3.2945 -3.2945 -3.2945 -2.1834 -2.1834 -2.1834 -2.1834 -2.0464 -2.0464 -2.0464 -2.0464 2.8125 2.8125 2.8125 2.8125 3.1512 3.1512 3.1512 3.1512 9.5050 9.5050 9.5050 9.5050 13.3487 13.3487 k = 0.2870 0.3709 0.3036 ( 6888 PWs) bands (ev): -40.5478 -40.5478 -40.5478 -40.5478 -19.8209 -19.8209 -19.8209 -19.8209 -11.1214 -11.1214 -11.1214 -11.1214 -3.2881 -3.2881 -3.2881 -3.2881 -2.1829 -2.1829 -2.1829 -2.1829 -2.0143 -2.0143 -2.0143 -2.0143 2.8380 2.8380 2.8380 2.8380 3.1436 3.1436 3.1436 3.1436 9.5160 9.5160 9.5160 9.5160 13.2709 13.2709 k = 0.2778 0.3709 0.3036 ( 6876 PWs) bands (ev): -40.5481 -40.5481 -40.5481 -40.5481 -19.8267 -19.8267 -19.8267 -19.8267 -11.1278 -11.1278 -11.1278 -11.1278 -3.2822 -3.2822 -3.2822 -3.2822 -2.1825 -2.1825 -2.1825 -2.1825 -1.9808 -1.9808 -1.9808 -1.9808 2.8641 2.8641 2.8641 2.8641 3.1359 3.1359 3.1359 3.1359 9.5272 9.5272 9.5272 9.5272 13.1926 13.1926 k = 0.2685 0.3709 0.3036 ( 6864 PWs) bands (ev): -40.5484 -40.5484 -40.5484 -40.5484 -19.8326 -19.8326 -19.8326 -19.8326 -11.1342 -11.1342 -11.1342 -11.1342 -3.2769 -3.2769 -3.2769 -3.2769 -2.1822 -2.1822 -2.1822 -2.1822 -1.9461 -1.9461 -1.9461 -1.9461 2.8906 2.8906 2.8906 2.8906 3.1281 3.1281 3.1281 3.1281 9.5383 9.5383 9.5383 9.5383 13.1140 13.1140 k = 0.2593 0.3709 0.3036 ( 6868 PWs) bands (ev): -40.5487 -40.5487 -40.5487 -40.5487 -19.8385 -19.8385 -19.8385 -19.8385 -11.1407 -11.1407 -11.1407 -11.1407 -3.2720 -3.2720 -3.2720 -3.2720 -2.1820 -2.1820 -2.1820 -2.1820 -1.9101 -1.9101 -1.9101 -1.9101 2.9176 2.9176 2.9176 2.9176 3.1204 3.1204 3.1204 3.1204 9.5495 9.5495 9.5495 9.5495 13.0354 13.0354 k = 0.2500 0.3709 0.3036 ( 6868 PWs) bands (ev): -40.5490 -40.5490 -40.5490 -40.5490 -19.8445 -19.8445 -19.8445 -19.8445 -11.1471 -11.1471 -11.1471 -11.1471 -3.2677 -3.2677 -3.2677 -3.2677 -2.1819 -2.1819 -2.1819 -2.1819 -1.8732 -1.8732 -1.8732 -1.8732 2.9447 2.9447 2.9447 2.9447 3.1126 3.1126 3.1126 3.1126 9.5605 9.5605 9.5605 9.5605 12.9569 12.9569 k = 0.2407 0.3709 0.3036 ( 6872 PWs) bands (ev): -40.5493 -40.5493 -40.5493 -40.5493 -19.8504 -19.8504 -19.8504 -19.8504 -11.1536 -11.1536 -11.1536 -11.1536 -3.2639 -3.2639 -3.2639 -3.2639 -2.1818 -2.1818 -2.1818 -2.1818 -1.8354 -1.8354 -1.8354 -1.8354 2.9720 2.9720 2.9720 2.9720 3.1050 3.1050 3.1050 3.1050 9.5715 9.5715 9.5715 9.5715 12.8787 12.8787 k = 0.2315 0.3709 0.3036 ( 6872 PWs) bands (ev): -40.5496 -40.5496 -40.5496 -40.5496 -19.8563 -19.8563 -19.8563 -19.8563 -11.1599 -11.1599 -11.1599 -11.1599 -3.2605 -3.2605 -3.2605 -3.2605 -2.1818 -2.1818 -2.1818 -2.1818 -1.7968 -1.7968 -1.7968 -1.7968 2.9993 2.9993 2.9993 2.9993 3.0976 3.0976 3.0976 3.0976 9.5823 9.5823 9.5823 9.5823 12.8009 12.8009 k = 0.2222 0.3709 0.3036 ( 6868 PWs) bands (ev): -40.5500 -40.5500 -40.5500 -40.5500 -19.8622 -19.8622 -19.8622 -19.8622 -11.1663 -11.1663 -11.1663 -11.1663 -3.2576 -3.2576 -3.2576 -3.2576 -2.1819 -2.1819 -2.1819 -2.1819 -1.7577 -1.7577 -1.7577 -1.7577 3.0260 3.0260 3.0260 3.0260 3.0907 3.0907 3.0907 3.0907 9.5929 9.5929 9.5929 9.5929 12.7238 12.7238 k = 0.2130 0.3709 0.3036 ( 6864 PWs) bands (ev): -40.5503 -40.5503 -40.5503 -40.5503 -19.8679 -19.8679 -19.8679 -19.8679 -11.1725 -11.1725 -11.1725 -11.1725 -3.2551 -3.2551 -3.2551 -3.2551 -2.1820 -2.1820 -2.1820 -2.1820 -1.7182 -1.7182 -1.7182 -1.7182 3.0508 3.0508 3.0508 3.0508 3.0859 3.0859 3.0859 3.0859 9.6034 9.6034 9.6034 9.6034 12.6476 12.6476 k = 0.2037 0.3709 0.3036 ( 6864 PWs) bands (ev): -40.5506 -40.5506 -40.5506 -40.5506 -19.8736 -19.8736 -19.8736 -19.8736 -11.1787 -11.1787 -11.1787 -11.1787 -3.2530 -3.2530 -3.2530 -3.2530 -2.1822 -2.1822 -2.1822 -2.1822 -1.6784 -1.6784 -1.6784 -1.6784 3.0642 3.0642 3.0642 3.0642 3.0923 3.0923 3.0923 3.0923 9.6136 9.6136 9.6136 9.6136 12.5725 12.5725 k = 0.1944 0.3709 0.3036 ( 6856 PWs) bands (ev): -40.5508 -40.5508 -40.5508 -40.5508 -19.8792 -19.8792 -19.8792 -19.8792 -11.1847 -11.1847 -11.1847 -11.1847 -3.2513 -3.2513 -3.2513 -3.2513 -2.1824 -2.1824 -2.1824 -2.1824 -1.6387 -1.6387 -1.6387 -1.6387 3.0618 3.0618 3.0618 3.0618 3.1145 3.1145 3.1145 3.1145 9.6235 9.6235 9.6235 9.6235 12.4987 12.4987 k = 0.1852 0.3709 0.3036 ( 6860 PWs) bands (ev): -40.5511 -40.5511 -40.5511 -40.5511 -19.8847 -19.8847 -19.8847 -19.8847 -11.1906 -11.1906 -11.1906 -11.1906 -3.2499 -3.2499 -3.2499 -3.2499 -2.1827 -2.1827 -2.1827 -2.1827 -1.5991 -1.5991 -1.5991 -1.5991 3.0557 3.0557 3.0557 3.0557 3.1400 3.1400 3.1400 3.1400 9.6331 9.6331 9.6331 9.6331 12.4263 12.4263 k = 0.1759 0.3709 0.3036 ( 6872 PWs) bands (ev): -40.5514 -40.5514 -40.5514 -40.5514 -19.8900 -19.8900 -19.8900 -19.8900 -11.1964 -11.1964 -11.1964 -11.1964 -3.2488 -3.2488 -3.2488 -3.2488 -2.1830 -2.1830 -2.1830 -2.1830 -1.5598 -1.5598 -1.5598 -1.5598 3.0491 3.0491 3.0491 3.0491 3.1659 3.1659 3.1659 3.1659 9.6424 9.6424 9.6424 9.6424 12.3557 12.3557 k = 0.1667 0.3709 0.3036 ( 6872 PWs) bands (ev): -40.5517 -40.5517 -40.5517 -40.5517 -19.8951 -19.8951 -19.8951 -19.8951 -11.2019 -11.2019 -11.2019 -11.2019 -3.2480 -3.2480 -3.2480 -3.2480 -2.1833 -2.1833 -2.1833 -2.1833 -1.5210 -1.5210 -1.5210 -1.5210 3.0425 3.0425 3.0425 3.0425 3.1914 3.1914 3.1914 3.1914 9.6513 9.6513 9.6513 9.6513 12.2870 12.2870 k = 0.1574 0.3709 0.3036 ( 6864 PWs) bands (ev): -40.5520 -40.5520 -40.5520 -40.5520 -19.9001 -19.9001 -19.9001 -19.9001 -11.2073 -11.2073 -11.2073 -11.2073 -3.2474 -3.2474 -3.2474 -3.2474 -2.1837 -2.1837 -2.1837 -2.1837 -1.4830 -1.4830 -1.4830 -1.4830 3.0359 3.0359 3.0359 3.0359 3.2164 3.2164 3.2164 3.2164 9.6599 9.6599 9.6599 9.6599 12.2205 12.2205 k = 0.1481 0.3709 0.3036 ( 6860 PWs) bands (ev): -40.5522 -40.5522 -40.5522 -40.5522 -19.9049 -19.9049 -19.9049 -19.9049 -11.2124 -11.2124 -11.2124 -11.2124 -3.2470 -3.2470 -3.2470 -3.2470 -2.1841 -2.1841 -2.1841 -2.1841 -1.4459 -1.4459 -1.4459 -1.4459 3.0295 3.0295 3.0295 3.0295 3.2406 3.2406 3.2406 3.2406 9.6681 9.6681 9.6681 9.6681 12.1563 12.1563 k = 0.1389 0.3709 0.3036 ( 6872 PWs) bands (ev): -40.5525 -40.5525 -40.5525 -40.5525 -19.9094 -19.9094 -19.9094 -19.9094 -11.2173 -11.2173 -11.2173 -11.2173 -3.2468 -3.2468 -3.2468 -3.2468 -2.1845 -2.1845 -2.1845 -2.1845 -1.4099 -1.4099 -1.4099 -1.4099 3.0234 3.0234 3.0234 3.0234 3.2640 3.2640 3.2640 3.2640 9.6758 9.6758 9.6758 9.6758 12.0947 12.0947 k = 0.1296 0.3709 0.3036 ( 6872 PWs) bands (ev): -40.5527 -40.5527 -40.5527 -40.5527 -19.9138 -19.9138 -19.9138 -19.9138 -11.2220 -11.2220 -11.2220 -11.2220 -3.2468 -3.2468 -3.2468 -3.2468 -2.1850 -2.1850 -2.1850 -2.1850 -1.3752 -1.3752 -1.3752 -1.3752 3.0175 3.0175 3.0175 3.0175 3.2864 3.2864 3.2864 3.2864 9.6832 9.6832 9.6832 9.6832 12.0358 12.0358 k = 0.1204 0.3709 0.3036 ( 6872 PWs) bands (ev): -40.5529 -40.5529 -40.5529 -40.5529 -19.9179 -19.9179 -19.9179 -19.9179 -11.2264 -11.2264 -11.2264 -11.2264 -3.2468 -3.2468 -3.2468 -3.2468 -2.1854 -2.1854 -2.1854 -2.1854 -1.3419 -1.3419 -1.3419 -1.3419 3.0120 3.0120 3.0120 3.0120 3.3078 3.3078 3.3078 3.3078 9.6900 9.6900 9.6900 9.6900 11.9800 11.9800 k = 0.1111 0.3709 0.3036 ( 6888 PWs) bands (ev): -40.5531 -40.5531 -40.5531 -40.5531 -19.9217 -19.9217 -19.9217 -19.9217 -11.2306 -11.2306 -11.2306 -11.2306 -3.2470 -3.2470 -3.2470 -3.2470 -2.1859 -2.1859 -2.1859 -2.1859 -1.3103 -1.3103 -1.3103 -1.3103 3.0067 3.0067 3.0067 3.0067 3.3281 3.3281 3.3281 3.3281 9.6965 9.6965 9.6965 9.6965 11.9273 11.9273 k = 0.1019 0.3709 0.3036 ( 6888 PWs) bands (ev): -40.5533 -40.5533 -40.5533 -40.5533 -19.9253 -19.9253 -19.9253 -19.9253 -11.2344 -11.2344 -11.2344 -11.2344 -3.2473 -3.2473 -3.2473 -3.2473 -2.1863 -2.1863 -2.1863 -2.1863 -1.2805 -1.2805 -1.2805 -1.2805 3.0018 3.0018 3.0018 3.0018 3.3470 3.3470 3.3470 3.3470 9.7024 9.7024 9.7024 9.7024 11.8781 11.8781 k = 0.0926 0.3709 0.3036 ( 6888 PWs) bands (ev): -40.5535 -40.5535 -40.5535 -40.5535 -19.9286 -19.9286 -19.9286 -19.9286 -11.2380 -11.2380 -11.2380 -11.2380 -3.2475 -3.2475 -3.2475 -3.2475 -2.1867 -2.1867 -2.1867 -2.1867 -1.2527 -1.2527 -1.2527 -1.2527 2.9972 2.9972 2.9972 2.9972 3.3647 3.3647 3.3647 3.3647 9.7079 9.7079 9.7079 9.7079 11.8324 11.8324 k = 0.0833 0.3709 0.3036 ( 6880 PWs) bands (ev): -40.5537 -40.5537 -40.5537 -40.5537 -19.9317 -19.9317 -19.9317 -19.9317 -11.2413 -11.2413 -11.2413 -11.2413 -3.2479 -3.2479 -3.2479 -3.2479 -2.1871 -2.1871 -2.1871 -2.1871 -1.2270 -1.2270 -1.2270 -1.2270 2.9931 2.9931 2.9931 2.9931 3.3809 3.3809 3.3809 3.3809 9.7128 9.7128 9.7128 9.7128 11.7905 11.7905 k = 0.0741 0.3709 0.3036 ( 6864 PWs) bands (ev): -40.5538 -40.5538 -40.5538 -40.5538 -19.9344 -19.9344 -19.9344 -19.9344 -11.2442 -11.2442 -11.2442 -11.2442 -3.2482 -3.2482 -3.2482 -3.2482 -2.1874 -2.1874 -2.1874 -2.1874 -1.2036 -1.2036 -1.2036 -1.2036 2.9893 2.9893 2.9893 2.9893 3.3956 3.3956 3.3956 3.3956 9.7173 9.7173 9.7173 9.7173 11.7526 11.7526 k = 0.0648 0.3709 0.3036 ( 6860 PWs) bands (ev): -40.5539 -40.5539 -40.5539 -40.5539 -19.9369 -19.9369 -19.9369 -19.9369 -11.2468 -11.2468 -11.2468 -11.2468 -3.2485 -3.2485 -3.2485 -3.2485 -2.1878 -2.1878 -2.1878 -2.1878 -1.1827 -1.1827 -1.1827 -1.1827 2.9859 2.9859 2.9859 2.9859 3.4088 3.4088 3.4088 3.4088 9.7213 9.7213 9.7213 9.7213 11.7187 11.7187 k = 0.0556 0.3709 0.3036 ( 6872 PWs) bands (ev): -40.5541 -40.5541 -40.5541 -40.5541 -19.9390 -19.9390 -19.9390 -19.9390 -11.2491 -11.2491 -11.2491 -11.2491 -3.2489 -3.2489 -3.2489 -3.2489 -2.1881 -2.1881 -2.1881 -2.1881 -1.1642 -1.1642 -1.1642 -1.1642 2.9830 2.9830 2.9830 2.9830 3.4203 3.4203 3.4203 3.4203 9.7247 9.7247 9.7247 9.7247 11.6890 11.6890 k = 0.0463 0.3709 0.3036 ( 6864 PWs) bands (ev): -40.5542 -40.5542 -40.5542 -40.5542 -19.9408 -19.9408 -19.9408 -19.9408 -11.2511 -11.2511 -11.2511 -11.2511 -3.2492 -3.2492 -3.2492 -3.2492 -2.1883 -2.1883 -2.1883 -2.1883 -1.1484 -1.1484 -1.1484 -1.1484 2.9804 2.9804 2.9804 2.9804 3.4302 3.4302 3.4302 3.4302 9.7276 9.7276 9.7276 9.7276 11.6637 11.6637 k = 0.0370 0.3709 0.3036 ( 6856 PWs) bands (ev): -40.5542 -40.5542 -40.5542 -40.5542 -19.9423 -19.9423 -19.9423 -19.9423 -11.2527 -11.2527 -11.2527 -11.2527 -3.2494 -3.2494 -3.2494 -3.2494 -2.1886 -2.1886 -2.1886 -2.1886 -1.1354 -1.1354 -1.1354 -1.1354 2.9784 2.9784 2.9784 2.9784 3.4383 3.4383 3.4383 3.4383 9.7300 9.7300 9.7300 9.7300 11.6428 11.6428 k = 0.0278 0.3709 0.3036 ( 6860 PWs) bands (ev): -40.5543 -40.5543 -40.5543 -40.5543 -19.9435 -19.9435 -19.9435 -19.9435 -11.2539 -11.2539 -11.2539 -11.2539 -3.2496 -3.2496 -3.2496 -3.2496 -2.1887 -2.1887 -2.1887 -2.1887 -1.1252 -1.1252 -1.1252 -1.1252 2.9768 2.9768 2.9768 2.9768 3.4447 3.4447 3.4447 3.4447 9.7319 9.7319 9.7319 9.7319 11.6265 11.6265 k = 0.0185 0.3709 0.3036 ( 6860 PWs) bands (ev): -40.5544 -40.5544 -40.5544 -40.5544 -19.9443 -19.9443 -19.9443 -19.9443 -11.2548 -11.2548 -11.2548 -11.2548 -3.2498 -3.2498 -3.2498 -3.2498 -2.1889 -2.1889 -2.1889 -2.1889 -1.1178 -1.1178 -1.1178 -1.1178 2.9756 2.9756 2.9756 2.9756 3.4492 3.4492 3.4492 3.4492 9.7332 9.7332 9.7332 9.7332 11.6148 11.6148 k = 0.0093 0.3709 0.3036 ( 6864 PWs) bands (ev): -40.5544 -40.5544 -40.5544 -40.5544 -19.9448 -19.9448 -19.9448 -19.9448 -11.2554 -11.2554 -11.2554 -11.2554 -3.2499 -3.2499 -3.2499 -3.2499 -2.1889 -2.1889 -2.1889 -2.1889 -1.1134 -1.1134 -1.1134 -1.1134 2.9749 2.9749 2.9749 2.9749 3.4520 3.4520 3.4520 3.4520 9.7340 9.7340 9.7340 9.7340 11.6077 11.6077 k = 0.0000 0.3709 0.3036 ( 6864 PWs) bands (ev): -40.5544 -40.5544 -40.5544 -40.5544 -19.9450 -19.9450 -19.9450 -19.9450 -11.2555 -11.2555 -11.2555 -11.2555 -3.2499 -3.2499 -3.2499 -3.2499 -2.1890 -2.1890 -2.1890 -2.1890 -1.1119 -1.1119 -1.1119 -1.1119 2.9747 2.9747 2.9747 2.9747 3.4529 3.4529 3.4529 3.4529 9.7343 9.7343 9.7343 9.7343 11.6054 11.6054 k = 0.0000 0.3709 0.3036 ( 6864 PWs) bands (ev): -40.5544 -40.5544 -40.5544 -40.5544 -19.9450 -19.9450 -19.9450 -19.9450 -11.2555 -11.2555 -11.2555 -11.2555 -3.2499 -3.2499 -3.2499 -3.2499 -2.1890 -2.1890 -2.1890 -2.1890 -1.1119 -1.1119 -1.1119 -1.1119 2.9747 2.9747 2.9747 2.9747 3.4529 3.4529 3.4529 3.4529 9.7343 9.7343 9.7343 9.7343 11.6054 11.6054 k = 0.0000 0.3616 0.3036 ( 6864 PWs) bands (ev): -40.5544 -40.5544 -40.5544 -40.5544 -19.9450 -19.9450 -19.9450 -19.9450 -11.2553 -11.2553 -11.2553 -11.2553 -3.2514 -3.2514 -3.2514 -3.2514 -2.1872 -2.1872 -2.1872 -2.1872 -1.1121 -1.1121 -1.1121 -1.1121 2.9738 2.9738 2.9738 2.9738 3.4532 3.4532 3.4532 3.4532 9.7325 9.7325 9.7325 9.7325 11.6088 11.6088 k = 0.0000 0.3523 0.3036 ( 6868 PWs) bands (ev): -40.5544 -40.5544 -40.5544 -40.5544 -19.9451 -19.9451 -19.9451 -19.9451 -11.2545 -11.2545 -11.2545 -11.2545 -3.2561 -3.2561 -3.2561 -3.2561 -2.1821 -2.1821 -2.1821 -2.1821 -1.1126 -1.1126 -1.1126 -1.1126 2.9711 2.9711 2.9711 2.9711 3.4542 3.4542 3.4542 3.4542 9.7272 9.7272 9.7272 9.7272 11.6192 11.6192 k = 0.0000 0.3431 0.3036 ( 6854 PWs) bands (ev): -40.5544 -40.5544 -40.5544 -40.5544 -19.9453 -19.9453 -19.9453 -19.9453 -11.2531 -11.2531 -11.2531 -11.2531 -3.2637 -3.2637 -3.2637 -3.2637 -2.1737 -2.1737 -2.1737 -2.1737 -1.1134 -1.1134 -1.1134 -1.1134 2.9667 2.9667 2.9667 2.9667 3.4558 3.4558 3.4558 3.4558 9.7186 9.7186 9.7186 9.7186 11.6362 11.6362 k = 0.0000 0.3338 0.3036 ( 6846 PWs) bands (ev): -40.5544 -40.5544 -40.5544 -40.5544 -19.9455 -19.9455 -19.9455 -19.9455 -11.2513 -11.2513 -11.2513 -11.2513 -3.2740 -3.2740 -3.2740 -3.2740 -2.1622 -2.1622 -2.1622 -2.1622 -1.1145 -1.1145 -1.1145 -1.1145 2.9607 2.9607 2.9607 2.9607 3.4580 3.4580 3.4580 3.4580 9.7068 9.7068 9.7068 9.7068 11.6597 11.6597 k = 0.0000 0.3245 0.3036 ( 6854 PWs) bands (ev): -40.5544 -40.5544 -40.5544 -40.5544 -19.9459 -19.9459 -19.9459 -19.9459 -11.2489 -11.2489 -11.2489 -11.2489 -3.2869 -3.2869 -3.2869 -3.2869 -2.1479 -2.1479 -2.1479 -2.1479 -1.1159 -1.1159 -1.1159 -1.1159 2.9529 2.9529 2.9529 2.9529 3.4608 3.4608 3.4608 3.4608 9.6922 9.6922 9.6922 9.6922 11.6893 11.6893 k = 0.0000 0.3152 0.3036 ( 6866 PWs) bands (ev): -40.5544 -40.5544 -40.5544 -40.5544 -19.9462 -19.9462 -19.9462 -19.9462 -11.2460 -11.2460 -11.2460 -11.2460 -3.3021 -3.3021 -3.3021 -3.3021 -2.1309 -2.1309 -2.1309 -2.1309 -1.1177 -1.1177 -1.1177 -1.1177 2.9436 2.9436 2.9436 2.9436 3.4642 3.4642 3.4642 3.4642 9.6749 9.6749 9.6749 9.6749 11.7246 11.7246 k = 0.0000 0.3060 0.3036 ( 6854 PWs) bands (ev): -40.5544 -40.5544 -40.5544 -40.5544 -19.9467 -19.9467 -19.9467 -19.9467 -11.2427 -11.2427 -11.2427 -11.2427 -3.3193 -3.3193 -3.3193 -3.3193 -2.1117 -2.1117 -2.1117 -2.1117 -1.1197 -1.1197 -1.1197 -1.1197 2.9327 2.9327 2.9327 2.9327 3.4682 3.4682 3.4682 3.4682 9.6555 9.6555 9.6555 9.6555 11.7651 11.7651 k = 0.0000 0.2967 0.3036 ( 6858 PWs) bands (ev): -40.5544 -40.5544 -40.5544 -40.5544 -19.9472 -19.9472 -19.9472 -19.9472 -11.2388 -11.2388 -11.2388 -11.2388 -3.3382 -3.3382 -3.3382 -3.3382 -2.0905 -2.0905 -2.0905 -2.0905 -1.1220 -1.1220 -1.1220 -1.1220 2.9205 2.9205 2.9205 2.9205 3.4727 3.4727 3.4727 3.4727 9.6341 9.6341 9.6341 9.6341 11.8104 11.8104 k = 0.0000 0.2874 0.3036 ( 6862 PWs) bands (ev): -40.5545 -40.5545 -40.5545 -40.5545 -19.9478 -19.9478 -19.9478 -19.9478 -11.2346 -11.2346 -11.2346 -11.2346 -3.3586 -3.3586 -3.3586 -3.3586 -2.0676 -2.0676 -2.0676 -2.0676 -1.1246 -1.1246 -1.1246 -1.1246 2.9069 2.9069 2.9069 2.9069 3.4778 3.4778 3.4778 3.4778 9.6113 9.6113 9.6113 9.6113 11.8600 11.8600 k = 0.0000 0.2782 0.3036 ( 6856 PWs) bands (ev): -40.5545 -40.5545 -40.5545 -40.5545 -19.9484 -19.9484 -19.9484 -19.9484 -11.2299 -11.2299 -11.2299 -11.2299 -3.3801 -3.3801 -3.3801 -3.3801 -2.0434 -2.0434 -2.0434 -2.0434 -1.1273 -1.1273 -1.1273 -1.1273 2.8920 2.8920 2.8920 2.8920 3.4833 3.4833 3.4833 3.4833 9.5871 9.5871 9.5871 9.5871 11.9135 11.9135 k = 0.0000 0.2689 0.3036 ( 6848 PWs) bands (ev): -40.5545 -40.5545 -40.5545 -40.5545 -19.9491 -19.9491 -19.9491 -19.9491 -11.2248 -11.2248 -11.2248 -11.2248 -3.4026 -3.4026 -3.4026 -3.4026 -2.0180 -2.0180 -2.0180 -2.0180 -1.1304 -1.1304 -1.1304 -1.1304 2.8761 2.8761 2.8761 2.8761 3.4892 3.4892 3.4892 3.4892 9.5621 9.5621 9.5621 9.5621 11.9702 11.9702 k = 0.0000 0.2596 0.3036 ( 6842 PWs) bands (ev): -40.5545 -40.5545 -40.5545 -40.5545 -19.9498 -19.9498 -19.9498 -19.9498 -11.2194 -11.2194 -11.2194 -11.2194 -3.4258 -3.4258 -3.4258 -3.4258 -1.9917 -1.9917 -1.9917 -1.9917 -1.1336 -1.1336 -1.1336 -1.1336 2.8592 2.8592 2.8592 2.8592 3.4956 3.4956 3.4956 3.4956 9.5364 9.5364 9.5364 9.5364 12.0298 12.0298 k = 0.0000 0.2503 0.3036 ( 6830 PWs) bands (ev): -40.5545 -40.5545 -40.5545 -40.5545 -19.9506 -19.9506 -19.9506 -19.9506 -11.2136 -11.2136 -11.2136 -11.2136 -3.4494 -3.4494 -3.4494 -3.4494 -1.9648 -1.9648 -1.9648 -1.9648 -1.1370 -1.1370 -1.1370 -1.1370 2.8414 2.8414 2.8414 2.8414 3.5024 3.5024 3.5024 3.5024 9.5102 9.5102 9.5102 9.5102 12.0918 12.0918 k = 0.0000 0.2411 0.3036 ( 6834 PWs) bands (ev): -40.5545 -40.5545 -40.5545 -40.5545 -19.9514 -19.9514 -19.9514 -19.9514 -11.2076 -11.2076 -11.2076 -11.2076 -3.4733 -3.4733 -3.4733 -3.4733 -1.9375 -1.9375 -1.9375 -1.9375 -1.1406 -1.1406 -1.1406 -1.1406 2.8229 2.8229 2.8229 2.8229 3.5095 3.5095 3.5095 3.5095 9.4839 9.4839 9.4839 9.4839 12.1557 12.1557 k = 0.0000 0.2318 0.3036 ( 6836 PWs) bands (ev): -40.5546 -40.5546 -40.5546 -40.5546 -19.9522 -19.9522 -19.9522 -19.9522 -11.2013 -11.2013 -11.2013 -11.2013 -3.4973 -3.4973 -3.4973 -3.4973 -1.9099 -1.9099 -1.9099 -1.9099 -1.1443 -1.1443 -1.1443 -1.1443 2.8037 2.8037 2.8037 2.8037 3.5168 3.5168 3.5168 3.5168 9.4576 9.4576 9.4576 9.4576 12.2210 12.2210 k = 0.0000 0.2225 0.3036 ( 6840 PWs) bands (ev): -40.5546 -40.5546 -40.5546 -40.5546 -19.9531 -19.9531 -19.9531 -19.9531 -11.1947 -11.1947 -11.1947 -11.1947 -3.5213 -3.5213 -3.5213 -3.5213 -1.8824 -1.8824 -1.8824 -1.8824 -1.1481 -1.1481 -1.1481 -1.1481 2.7842 2.7842 2.7842 2.7842 3.5244 3.5244 3.5244 3.5244 9.4314 9.4314 9.4314 9.4314 12.2873 12.2873 k = 0.0000 0.2132 0.3036 ( 6844 PWs) bands (ev): -40.5546 -40.5546 -40.5546 -40.5546 -19.9540 -19.9540 -19.9540 -19.9540 -11.1880 -11.1880 -11.1880 -11.1880 -3.5452 -3.5452 -3.5452 -3.5452 -1.8550 -1.8550 -1.8550 -1.8550 -1.1520 -1.1520 -1.1520 -1.1520 2.7642 2.7642 2.7642 2.7642 3.5322 3.5322 3.5322 3.5322 9.4055 9.4055 9.4055 9.4055 12.3542 12.3542 k = 0.0000 0.2040 0.3036 ( 6848 PWs) bands (ev): -40.5546 -40.5546 -40.5546 -40.5546 -19.9549 -19.9549 -19.9549 -19.9549 -11.1812 -11.1812 -11.1812 -11.1812 -3.5687 -3.5687 -3.5687 -3.5687 -1.8278 -1.8278 -1.8278 -1.8278 -1.1559 -1.1559 -1.1559 -1.1559 2.7441 2.7441 2.7441 2.7441 3.5401 3.5401 3.5401 3.5401 9.3800 9.3800 9.3800 9.3800 12.4211 12.4211 k = 0.0000 0.1947 0.3036 ( 6838 PWs) bands (ev): -40.5546 -40.5546 -40.5546 -40.5546 -19.9558 -19.9558 -19.9558 -19.9558 -11.1742 -11.1742 -11.1742 -11.1742 -3.5918 -3.5918 -3.5918 -3.5918 -1.8011 -1.8011 -1.8011 -1.8011 -1.1599 -1.1599 -1.1599 -1.1599 2.7240 2.7240 2.7240 2.7240 3.5481 3.5481 3.5481 3.5481 9.3551 9.3551 9.3551 9.3551 12.4877 12.4877 k = 0.0000 0.1854 0.3036 ( 6838 PWs) bands (ev): -40.5547 -40.5547 -40.5547 -40.5547 -19.9567 -19.9567 -19.9567 -19.9567 -11.1672 -11.1672 -11.1672 -11.1672 -3.6144 -3.6144 -3.6144 -3.6144 -1.7750 -1.7750 -1.7750 -1.7750 -1.1639 -1.1639 -1.1639 -1.1639 2.7039 2.7039 2.7039 2.7039 3.5562 3.5562 3.5562 3.5562 9.3308 9.3308 9.3308 9.3308 12.5535 12.5535 k = 0.0000 0.1762 0.3036 ( 6836 PWs) bands (ev): -40.5547 -40.5547 -40.5547 -40.5547 -19.9576 -19.9576 -19.9576 -19.9576 -11.1602 -11.1602 -11.1602 -11.1602 -3.6363 -3.6363 -3.6363 -3.6363 -1.7495 -1.7495 -1.7495 -1.7495 -1.1679 -1.1679 -1.1679 -1.1679 2.6840 2.6840 2.6840 2.6840 3.5642 3.5642 3.5642 3.5642 9.3072 9.3072 9.3072 9.3072 12.6180 12.6180 k = 0.0000 0.1669 0.3036 ( 6832 PWs) bands (ev): -40.5547 -40.5547 -40.5547 -40.5547 -19.9585 -19.9585 -19.9585 -19.9585 -11.1532 -11.1532 -11.1532 -11.1532 -3.6576 -3.6576 -3.6576 -3.6576 -1.7248 -1.7248 -1.7248 -1.7248 -1.1719 -1.1719 -1.1719 -1.1719 2.6644 2.6644 2.6644 2.6644 3.5722 3.5722 3.5722 3.5722 9.2845 9.2845 9.2845 9.2845 12.6808 12.6808 k = 0.0000 0.1576 0.3036 ( 6832 PWs) bands (ev): -40.5547 -40.5547 -40.5547 -40.5547 -19.9594 -19.9594 -19.9594 -19.9594 -11.1463 -11.1463 -11.1463 -11.1463 -3.6781 -3.6781 -3.6781 -3.6781 -1.7010 -1.7010 -1.7010 -1.7010 -1.1758 -1.1758 -1.1758 -1.1758 2.6453 2.6453 2.6453 2.6453 3.5801 3.5801 3.5801 3.5801 9.2626 9.2626 9.2626 9.2626 12.7414 12.7414 k = 0.0000 0.1483 0.3036 ( 6832 PWs) bands (ev): -40.5547 -40.5547 -40.5547 -40.5547 -19.9603 -19.9603 -19.9603 -19.9603 -11.1395 -11.1395 -11.1395 -11.1395 -3.6978 -3.6978 -3.6978 -3.6978 -1.6781 -1.6781 -1.6781 -1.6781 -1.1796 -1.1796 -1.1796 -1.1796 2.6267 2.6267 2.6267 2.6267 3.5879 3.5879 3.5879 3.5879 9.2416 9.2416 9.2416 9.2416 12.7996 12.7996 k = 0.0000 0.1391 0.3036 ( 6836 PWs) bands (ev): -40.5548 -40.5548 -40.5548 -40.5548 -19.9612 -19.9612 -19.9612 -19.9612 -11.1329 -11.1329 -11.1329 -11.1329 -3.7165 -3.7165 -3.7165 -3.7165 -1.6563 -1.6563 -1.6563 -1.6563 -1.1833 -1.1833 -1.1833 -1.1833 2.6088 2.6088 2.6088 2.6088 3.5954 3.5954 3.5954 3.5954 9.2217 9.2217 9.2217 9.2217 12.8548 12.8548 k = 0.0000 0.1298 0.3036 ( 6834 PWs) bands (ev): -40.5548 -40.5548 -40.5548 -40.5548 -19.9620 -19.9620 -19.9620 -19.9620 -11.1264 -11.1264 -11.1264 -11.1264 -3.7343 -3.7343 -3.7343 -3.7343 -1.6357 -1.6357 -1.6357 -1.6357 -1.1869 -1.1869 -1.1869 -1.1869 2.5916 2.5916 2.5916 2.5916 3.6027 3.6027 3.6027 3.6027 9.2028 9.2028 9.2028 9.2028 12.9068 12.9068 k = 0.0000 0.1205 0.3036 ( 6838 PWs) bands (ev): -40.5548 -40.5548 -40.5548 -40.5548 -19.9628 -19.9628 -19.9628 -19.9628 -11.1202 -11.1202 -11.1202 -11.1202 -3.7511 -3.7511 -3.7511 -3.7511 -1.6162 -1.6162 -1.6162 -1.6162 -1.1903 -1.1903 -1.1903 -1.1903 2.5752 2.5752 2.5752 2.5752 3.6097 3.6097 3.6097 3.6097 9.1850 9.1850 9.1850 9.1850 12.9553 12.9553 k = 0.0000 0.1113 0.3036 ( 6840 PWs) bands (ev): -40.5548 -40.5548 -40.5548 -40.5548 -19.9636 -19.9636 -19.9636 -19.9636 -11.1143 -11.1143 -11.1143 -11.1143 -3.7668 -3.7668 -3.7668 -3.7668 -1.5979 -1.5979 -1.5979 -1.5979 -1.1936 -1.1936 -1.1936 -1.1936 2.5597 2.5597 2.5597 2.5597 3.6163 3.6163 3.6163 3.6163 9.1684 9.1684 9.1684 9.1684 13.0001 13.0001 k = 0.0000 0.1020 0.3036 ( 6844 PWs) bands (ev): -40.5548 -40.5548 -40.5548 -40.5548 -19.9643 -19.9643 -19.9643 -19.9643 -11.1087 -11.1087 -11.1087 -11.1087 -3.7814 -3.7814 -3.7814 -3.7814 -1.5810 -1.5810 -1.5810 -1.5810 -1.1966 -1.1966 -1.1966 -1.1966 2.5453 2.5453 2.5453 2.5453 3.6226 3.6226 3.6226 3.6226 9.1529 9.1529 9.1529 9.1529 13.0410 13.0410 k = 0.0000 0.0927 0.3036 ( 6850 PWs) bands (ev): -40.5549 -40.5549 -40.5549 -40.5549 -19.9650 -19.9650 -19.9650 -19.9650 -11.1035 -11.1035 -11.1035 -11.1035 -3.7949 -3.7949 -3.7949 -3.7949 -1.5654 -1.5654 -1.5654 -1.5654 -1.1995 -1.1995 -1.1995 -1.1995 2.5319 2.5319 2.5319 2.5319 3.6285 3.6285 3.6285 3.6285 9.1386 9.1386 9.1386 9.1386 13.0780 13.0780 k = 0.0000 0.0834 0.3036 ( 6836 PWs) bands (ev): -40.5549 -40.5549 -40.5549 -40.5549 -19.9656 -19.9656 -19.9656 -19.9656 -11.0986 -11.0986 -11.0986 -11.0986 -3.8071 -3.8071 -3.8071 -3.8071 -1.5511 -1.5511 -1.5511 -1.5511 -1.2021 -1.2021 -1.2021 -1.2021 2.5196 2.5196 2.5196 2.5196 3.6339 3.6339 3.6339 3.6339 9.1256 9.1256 9.1256 9.1256 13.1111 13.1111 k = 0.0000 0.0742 0.3036 ( 6836 PWs) bands (ev): -40.5549 -40.5549 -40.5549 -40.5549 -19.9661 -19.9661 -19.9661 -19.9661 -11.0942 -11.0942 -11.0942 -11.0942 -3.8182 -3.8182 -3.8182 -3.8182 -1.5383 -1.5383 -1.5383 -1.5383 -1.2045 -1.2045 -1.2045 -1.2045 2.5084 2.5084 2.5084 2.5084 3.6389 3.6389 3.6389 3.6389 9.1139 9.1139 9.1139 9.1139 13.1402 13.1402 k = 0.0000 0.0649 0.3036 ( 6836 PWs) bands (ev): -40.5549 -40.5549 -40.5549 -40.5549 -19.9667 -19.9667 -19.9667 -19.9667 -11.0902 -11.0902 -11.0902 -11.0902 -3.8280 -3.8280 -3.8280 -3.8280 -1.5269 -1.5269 -1.5269 -1.5269 -1.2067 -1.2067 -1.2067 -1.2067 2.4985 2.4985 2.4985 2.4985 3.6433 3.6433 3.6433 3.6433 9.1035 9.1035 9.1035 9.1035 13.1655 13.1655 k = 0.0000 0.0556 0.3036 ( 6836 PWs) bands (ev): -40.5549 -40.5549 -40.5549 -40.5549 -19.9671 -19.9671 -19.9671 -19.9671 -11.0867 -11.0867 -11.0867 -11.0867 -3.8366 -3.8366 -3.8366 -3.8366 -1.5170 -1.5170 -1.5170 -1.5170 -1.2086 -1.2086 -1.2086 -1.2086 2.4898 2.4898 2.4898 2.4898 3.6472 3.6472 3.6472 3.6472 9.0944 9.0944 9.0944 9.0944 13.1870 13.1870 k = 0.0000 0.0464 0.3036 ( 6832 PWs) bands (ev): -40.5549 -40.5549 -40.5549 -40.5549 -19.9675 -19.9675 -19.9675 -19.9675 -11.0837 -11.0837 -11.0837 -11.0837 -3.8439 -3.8439 -3.8439 -3.8439 -1.5086 -1.5086 -1.5086 -1.5086 -1.2102 -1.2102 -1.2102 -1.2102 2.4824 2.4824 2.4824 2.4824 3.6506 3.6506 3.6506 3.6506 9.0867 9.0867 9.0867 9.0867 13.2049 13.2049 k = 0.0000 0.0371 0.3036 ( 6828 PWs) bands (ev): -40.5549 -40.5549 -40.5549 -40.5549 -19.9678 -19.9678 -19.9678 -19.9678 -11.0812 -11.0812 -11.0812 -11.0812 -3.8499 -3.8499 -3.8499 -3.8499 -1.5017 -1.5017 -1.5017 -1.5017 -1.2115 -1.2115 -1.2115 -1.2115 2.4763 2.4763 2.4763 2.4763 3.6533 3.6533 3.6533 3.6533 9.0803 9.0803 9.0803 9.0803 13.2193 13.2193 k = 0.0000 0.0278 0.3036 ( 6830 PWs) bands (ev): -40.5549 -40.5549 -40.5549 -40.5549 -19.9680 -19.9680 -19.9680 -19.9680 -11.0793 -11.0793 -11.0793 -11.0793 -3.8546 -3.8546 -3.8546 -3.8546 -1.4963 -1.4963 -1.4963 -1.4963 -1.2126 -1.2126 -1.2126 -1.2126 2.4716 2.4716 2.4716 2.4716 3.6555 3.6555 3.6555 3.6555 9.0754 9.0754 9.0754 9.0754 13.2304 13.2304 k = 0.0000 0.0185 0.3036 ( 6838 PWs) bands (ev): -40.5549 -40.5549 -40.5549 -40.5549 -19.9682 -19.9682 -19.9682 -19.9682 -11.0779 -11.0779 -11.0779 -11.0779 -3.8579 -3.8579 -3.8579 -3.8579 -1.4925 -1.4925 -1.4925 -1.4925 -1.2133 -1.2133 -1.2133 -1.2133 2.4681 2.4681 2.4681 2.4681 3.6570 3.6570 3.6570 3.6570 9.0718 9.0718 9.0718 9.0718 13.2383 13.2383 k = 0.0000 0.0093 0.3036 ( 6834 PWs) bands (ev): -40.5549 -40.5549 -40.5549 -40.5549 -19.9683 -19.9683 -19.9683 -19.9683 -11.0770 -11.0770 -11.0770 -11.0770 -3.8599 -3.8599 -3.8599 -3.8599 -1.4902 -1.4902 -1.4902 -1.4902 -1.2138 -1.2138 -1.2138 -1.2138 2.4661 2.4661 2.4661 2.4661 3.6580 3.6580 3.6580 3.6580 9.0697 9.0697 9.0697 9.0697 13.2429 13.2429 k = 0.0000 0.0000 0.3036 ( 6834 PWs) bands (ev): -40.5549 -40.5549 -40.5549 -40.5549 -19.9684 -19.9684 -19.9684 -19.9684 -11.0767 -11.0767 -11.0767 -11.0767 -3.8606 -3.8606 -3.8606 -3.8606 -1.4894 -1.4894 -1.4894 -1.4894 -1.2139 -1.2139 -1.2139 -1.2139 2.4654 2.4654 2.4654 2.4654 3.6583 3.6583 3.6583 3.6583 9.0690 9.0690 9.0690 9.0690 13.2445 13.2445 k = 0.0000 0.3709-0.0000 ( 6852 PWs) bands (ev): -40.5545 -40.5545 -40.5545 -40.5545 -19.9404 -19.9404 -19.9404 -19.9404 -11.2421 -11.2421 -11.2421 -11.2421 -3.7104 -3.7104 -3.7104 -3.7104 -1.7527 -1.7527 -1.7527 -1.7527 -1.1252 -1.1252 -1.1252 -1.1252 3.1904 3.1904 3.1904 3.1904 3.4871 3.4871 3.4871 3.4871 8.7954 8.7954 8.7954 8.7954 13.1997 13.1997 k = 0.0000 0.3709 0.0092 ( 6852 PWs) bands (ev): -40.5545 -40.5545 -40.5545 -40.5545 -19.9404 -19.9404 -19.9404 -19.9404 -11.2421 -11.2421 -11.2421 -11.2421 -3.7096 -3.7096 -3.7096 -3.7096 -1.7535 -1.7535 -1.7535 -1.7535 -1.1252 -1.1252 -1.1252 -1.1252 3.1899 3.1899 3.1899 3.1899 3.4870 3.4870 3.4870 3.4870 8.7970 8.7970 8.7970 8.7970 13.1955 13.1955 k = 0.0000 0.3709 0.0184 ( 6848 PWs) bands (ev): -40.5545 -40.5545 -40.5545 -40.5545 -19.9404 -19.9404 -19.9404 -19.9404 -11.2422 -11.2422 -11.2422 -11.2422 -3.7072 -3.7072 -3.7072 -3.7072 -1.7557 -1.7557 -1.7557 -1.7557 -1.1251 -1.1251 -1.1251 -1.1251 3.1884 3.1884 3.1884 3.1884 3.4868 3.4868 3.4868 3.4868 8.8018 8.8018 8.8018 8.8018 13.1830 13.1830 k = 0.0000 0.3709 0.0276 ( 6848 PWs) bands (ev): -40.5545 -40.5545 -40.5545 -40.5545 -19.9405 -19.9405 -19.9405 -19.9405 -11.2424 -11.2424 -11.2424 -11.2424 -3.7032 -3.7032 -3.7032 -3.7032 -1.7594 -1.7594 -1.7594 -1.7594 -1.1249 -1.1249 -1.1249 -1.1249 3.1858 3.1858 3.1858 3.1858 3.4864 3.4864 3.4864 3.4864 8.8098 8.8098 8.8098 8.8098 13.1625 13.1625 k = 0.0000 0.3709 0.0368 ( 6848 PWs) bands (ev): -40.5545 -40.5545 -40.5545 -40.5545 -19.9406 -19.9406 -19.9406 -19.9406 -11.2426 -11.2426 -11.2426 -11.2426 -3.6976 -3.6976 -3.6976 -3.6976 -1.7646 -1.7646 -1.7646 -1.7646 -1.1247 -1.1247 -1.1247 -1.1247 3.1823 3.1823 3.1823 3.1823 3.4858 3.4858 3.4858 3.4858 8.8209 8.8209 8.8209 8.8209 13.1344 13.1344 k = 0.0000 0.3709 0.0460 ( 6844 PWs) bands (ev): -40.5545 -40.5545 -40.5545 -40.5545 -19.9406 -19.9406 -19.9406 -19.9406 -11.2428 -11.2428 -11.2428 -11.2428 -3.6904 -3.6904 -3.6904 -3.6904 -1.7713 -1.7713 -1.7713 -1.7713 -1.1244 -1.1244 -1.1244 -1.1244 3.1778 3.1778 3.1778 3.1778 3.4852 3.4852 3.4852 3.4852 8.8352 8.8352 8.8352 8.8352 13.0993 13.0993 k = 0.0000 0.3709 0.0552 ( 6854 PWs) bands (ev): -40.5545 -40.5545 -40.5545 -40.5545 -19.9408 -19.9408 -19.9408 -19.9408 -11.2432 -11.2432 -11.2432 -11.2432 -3.6818 -3.6818 -3.6818 -3.6818 -1.7793 -1.7793 -1.7793 -1.7793 -1.1241 -1.1241 -1.1241 -1.1241 3.1724 3.1724 3.1724 3.1724 3.4843 3.4843 3.4843 3.4843 8.8524 8.8524 8.8524 8.8524 13.0579 13.0579 k = 0.0000 0.3709 0.0644 ( 6866 PWs) bands (ev): -40.5545 -40.5545 -40.5545 -40.5545 -19.9409 -19.9409 -19.9409 -19.9409 -11.2435 -11.2435 -11.2435 -11.2435 -3.6716 -3.6716 -3.6716 -3.6716 -1.7888 -1.7888 -1.7888 -1.7888 -1.1238 -1.1238 -1.1238 -1.1238 3.1662 3.1662 3.1662 3.1662 3.4834 3.4834 3.4834 3.4834 8.8726 8.8726 8.8726 8.8726 13.0109 13.0109 k = 0.0000 0.3709 0.0736 ( 6858 PWs) bands (ev): -40.5545 -40.5545 -40.5545 -40.5545 -19.9410 -19.9410 -19.9410 -19.9410 -11.2440 -11.2440 -11.2440 -11.2440 -3.6600 -3.6600 -3.6600 -3.6600 -1.7996 -1.7996 -1.7996 -1.7996 -1.1234 -1.1234 -1.1234 -1.1234 3.1592 3.1592 3.1592 3.1592 3.4823 3.4823 3.4823 3.4823 8.8957 8.8957 8.8957 8.8957 12.9589 12.9589 k = 0.0000 0.3709 0.0828 ( 6872 PWs) bands (ev): -40.5545 -40.5545 -40.5545 -40.5545 -19.9412 -19.9412 -19.9412 -19.9412 -11.2444 -11.2444 -11.2444 -11.2444 -3.6470 -3.6470 -3.6470 -3.6470 -1.8117 -1.8117 -1.8117 -1.8117 -1.1229 -1.1229 -1.1229 -1.1229 3.1515 3.1515 3.1515 3.1515 3.4811 3.4811 3.4811 3.4811 8.9215 8.9215 8.9215 8.9215 12.9026 12.9026 k = 0.0000 0.3709 0.0920 ( 6868 PWs) bands (ev): -40.5545 -40.5545 -40.5545 -40.5545 -19.9414 -19.9414 -19.9414 -19.9414 -11.2449 -11.2449 -11.2449 -11.2449 -3.6327 -3.6327 -3.6327 -3.6327 -1.8251 -1.8251 -1.8251 -1.8251 -1.1224 -1.1224 -1.1224 -1.1224 3.1431 3.1431 3.1431 3.1431 3.4799 3.4799 3.4799 3.4799 8.9499 8.9499 8.9499 8.9499 12.8426 12.8426 k = 0.0000 0.3709 0.1012 ( 6858 PWs) bands (ev): -40.5545 -40.5545 -40.5545 -40.5545 -19.9415 -19.9415 -19.9415 -19.9415 -11.2455 -11.2455 -11.2455 -11.2455 -3.6172 -3.6172 -3.6172 -3.6172 -1.8396 -1.8396 -1.8396 -1.8396 -1.1219 -1.1219 -1.1219 -1.1219 3.1342 3.1342 3.1342 3.1342 3.4785 3.4785 3.4785 3.4785 8.9809 8.9809 8.9809 8.9809 12.7797 12.7797 k = 0.0000 0.3709 0.1104 ( 6846 PWs) bands (ev): -40.5544 -40.5544 -40.5544 -40.5544 -19.9417 -19.9417 -19.9417 -19.9417 -11.2461 -11.2461 -11.2461 -11.2461 -3.6005 -3.6005 -3.6005 -3.6005 -1.8553 -1.8553 -1.8553 -1.8553 -1.1213 -1.1213 -1.1213 -1.1213 3.1249 3.1249 3.1249 3.1249 3.4770 3.4770 3.4770 3.4770 9.0141 9.0141 9.0141 9.0141 12.7142 12.7142 k = 0.0000 0.3709 0.1196 ( 6842 PWs) bands (ev): -40.5544 -40.5544 -40.5544 -40.5544 -19.9419 -19.9419 -19.9419 -19.9419 -11.2466 -11.2466 -11.2466 -11.2466 -3.5827 -3.5827 -3.5827 -3.5827 -1.8720 -1.8720 -1.8720 -1.8720 -1.1207 -1.1207 -1.1207 -1.1207 3.1152 3.1152 3.1152 3.1152 3.4755 3.4755 3.4755 3.4755 9.0495 9.0495 9.0495 9.0495 12.6468 12.6468 k = 0.0000 0.3709 0.1288 ( 6850 PWs) bands (ev): -40.5544 -40.5544 -40.5544 -40.5544 -19.9421 -19.9421 -19.9421 -19.9421 -11.2473 -11.2473 -11.2473 -11.2473 -3.5639 -3.5639 -3.5639 -3.5639 -1.8896 -1.8896 -1.8896 -1.8896 -1.1201 -1.1201 -1.1201 -1.1201 3.1052 3.1052 3.1052 3.1052 3.4740 3.4740 3.4740 3.4740 9.0869 9.0869 9.0869 9.0869 12.5778 12.5778 k = 0.0000 0.3709 0.1380 ( 6844 PWs) bands (ev): -40.5544 -40.5544 -40.5544 -40.5544 -19.9423 -19.9423 -19.9423 -19.9423 -11.2479 -11.2479 -11.2479 -11.2479 -3.5443 -3.5443 -3.5443 -3.5443 -1.9081 -1.9081 -1.9081 -1.9081 -1.1195 -1.1195 -1.1195 -1.1195 3.0950 3.0950 3.0950 3.0950 3.4724 3.4724 3.4724 3.4724 9.1261 9.1261 9.1261 9.1261 12.5078 12.5078 k = 0.0000 0.3709 0.1472 ( 6840 PWs) bands (ev): -40.5544 -40.5544 -40.5544 -40.5544 -19.9426 -19.9426 -19.9426 -19.9426 -11.2485 -11.2485 -11.2485 -11.2485 -3.5239 -3.5239 -3.5239 -3.5239 -1.9274 -1.9274 -1.9274 -1.9274 -1.1189 -1.1189 -1.1189 -1.1189 3.0848 3.0848 3.0848 3.0848 3.4708 3.4708 3.4708 3.4708 9.1668 9.1668 9.1668 9.1668 12.4373 12.4373 k = 0.0000 0.3709 0.1564 ( 6840 PWs) bands (ev): -40.5544 -40.5544 -40.5544 -40.5544 -19.9428 -19.9428 -19.9428 -19.9428 -11.2492 -11.2492 -11.2492 -11.2492 -3.5028 -3.5028 -3.5028 -3.5028 -1.9472 -1.9472 -1.9472 -1.9472 -1.1182 -1.1182 -1.1182 -1.1182 3.0745 3.0745 3.0745 3.0745 3.4691 3.4691 3.4691 3.4691 9.2089 9.2089 9.2089 9.2089 12.3665 12.3665 k = 0.0000 0.3709 0.1656 ( 6840 PWs) bands (ev): -40.5544 -40.5544 -40.5544 -40.5544 -19.9430 -19.9430 -19.9430 -19.9430 -11.2498 -11.2498 -11.2498 -11.2498 -3.4814 -3.4814 -3.4814 -3.4814 -1.9676 -1.9676 -1.9676 -1.9676 -1.1176 -1.1176 -1.1176 -1.1176 3.0643 3.0643 3.0643 3.0643 3.4675 3.4675 3.4675 3.4675 9.2520 9.2520 9.2520 9.2520 12.2960 12.2960 k = 0.0000 0.3709 0.1748 ( 6842 PWs) bands (ev): -40.5544 -40.5544 -40.5544 -40.5544 -19.9432 -19.9432 -19.9432 -19.9432 -11.2504 -11.2504 -11.2504 -11.2504 -3.4596 -3.4596 -3.4596 -3.4596 -1.9882 -1.9882 -1.9882 -1.9882 -1.1170 -1.1170 -1.1170 -1.1170 3.0544 3.0544 3.0544 3.0544 3.4659 3.4659 3.4659 3.4659 9.2958 9.2958 9.2958 9.2958 12.2261 12.2261 k = 0.0000 0.3709 0.1840 ( 6854 PWs) bands (ev): -40.5544 -40.5544 -40.5544 -40.5544 -19.9434 -19.9434 -19.9434 -19.9434 -11.2510 -11.2510 -11.2510 -11.2510 -3.4377 -3.4377 -3.4377 -3.4377 -2.0090 -2.0090 -2.0090 -2.0090 -1.1164 -1.1164 -1.1164 -1.1164 3.0447 3.0447 3.0447 3.0447 3.4644 3.4644 3.4644 3.4644 9.3401 9.3401 9.3401 9.3401 12.1573 12.1573 k = 0.0000 0.3709 0.1932 ( 6862 PWs) bands (ev): -40.5544 -40.5544 -40.5544 -40.5544 -19.9436 -19.9436 -19.9436 -19.9436 -11.2516 -11.2516 -11.2516 -11.2516 -3.4159 -3.4159 -3.4159 -3.4159 -2.0298 -2.0298 -2.0298 -2.0298 -1.1158 -1.1158 -1.1158 -1.1158 3.0354 3.0354 3.0354 3.0354 3.4629 3.4629 3.4629 3.4629 9.3845 9.3845 9.3845 9.3845 12.0901 12.0901 k = 0.0000 0.3709 0.2024 ( 6864 PWs) bands (ev): -40.5544 -40.5544 -40.5544 -40.5544 -19.9438 -19.9438 -19.9438 -19.9438 -11.2522 -11.2522 -11.2522 -11.2522 -3.3943 -3.3943 -3.3943 -3.3943 -2.0503 -2.0503 -2.0503 -2.0503 -1.1152 -1.1152 -1.1152 -1.1152 3.0265 3.0265 3.0265 3.0265 3.4614 3.4614 3.4614 3.4614 9.4286 9.4286 9.4286 9.4286 12.0248 12.0248 k = 0.0000 0.3709 0.2116 ( 6866 PWs) bands (ev): -40.5544 -40.5544 -40.5544 -40.5544 -19.9440 -19.9440 -19.9440 -19.9440 -11.2527 -11.2527 -11.2527 -11.2527 -3.3733 -3.3733 -3.3733 -3.3733 -2.0704 -2.0704 -2.0704 -2.0704 -1.1147 -1.1147 -1.1147 -1.1147 3.0181 3.0181 3.0181 3.0181 3.4601 3.4601 3.4601 3.4601 9.4719 9.4719 9.4719 9.4719 11.9620 11.9620 k = 0.0000 0.3709 0.2208 ( 6882 PWs) bands (ev): -40.5544 -40.5544 -40.5544 -40.5544 -19.9442 -19.9442 -19.9442 -19.9442 -11.2532 -11.2532 -11.2532 -11.2532 -3.3530 -3.3530 -3.3530 -3.3530 -2.0898 -2.0898 -2.0898 -2.0898 -1.1142 -1.1142 -1.1142 -1.1142 3.0103 3.0103 3.0103 3.0103 3.4588 3.4588 3.4588 3.4588 9.5139 9.5139 9.5139 9.5139 11.9023 11.9023 k = 0.0000 0.3709 0.2300 ( 6870 PWs) bands (ev): -40.5544 -40.5544 -40.5544 -40.5544 -19.9443 -19.9443 -19.9443 -19.9443 -11.2537 -11.2537 -11.2537 -11.2537 -3.3338 -3.3338 -3.3338 -3.3338 -2.1082 -2.1082 -2.1082 -2.1082 -1.1138 -1.1138 -1.1138 -1.1138 3.0031 3.0031 3.0031 3.0031 3.4576 3.4576 3.4576 3.4576 9.5541 9.5541 9.5541 9.5541 11.8461 11.8461 k = 0.0000 0.3709 0.2392 ( 6862 PWs) bands (ev): -40.5544 -40.5544 -40.5544 -40.5544 -19.9445 -19.9445 -19.9445 -19.9445 -11.2541 -11.2541 -11.2541 -11.2541 -3.3159 -3.3159 -3.3159 -3.3159 -2.1254 -2.1254 -2.1254 -2.1254 -1.1133 -1.1133 -1.1133 -1.1133 2.9967 2.9967 2.9967 2.9967 3.4565 3.4565 3.4565 3.4565 9.5918 9.5918 9.5918 9.5918 11.7942 11.7942 k = 0.0000 0.3709 0.2484 ( 6864 PWs) bands (ev): -40.5544 -40.5544 -40.5544 -40.5544 -19.9446 -19.9446 -19.9446 -19.9446 -11.2545 -11.2545 -11.2545 -11.2545 -3.2996 -3.2996 -3.2996 -3.2996 -2.1411 -2.1411 -2.1411 -2.1411 -1.1130 -1.1130 -1.1130 -1.1130 2.9910 2.9910 2.9910 2.9910 3.4556 3.4556 3.4556 3.4556 9.6265 9.6265 9.6265 9.6265 11.7473 11.7473 k = 0.0000 0.3709 0.2576 ( 6864 PWs) bands (ev): -40.5544 -40.5544 -40.5544 -40.5544 -19.9447 -19.9447 -19.9447 -19.9447 -11.2548 -11.2548 -11.2548 -11.2548 -3.2851 -3.2851 -3.2851 -3.2851 -2.1550 -2.1550 -2.1550 -2.1550 -1.1126 -1.1126 -1.1126 -1.1126 2.9861 2.9861 2.9861 2.9861 3.4548 3.4548 3.4548 3.4548 9.6575 9.6575 9.6575 9.6575 11.7059 11.7059 k = 0.0000 0.3709 0.2668 ( 6862 PWs) bands (ev): -40.5544 -40.5544 -40.5544 -40.5544 -19.9448 -19.9448 -19.9448 -19.9448 -11.2551 -11.2551 -11.2551 -11.2551 -3.2728 -3.2728 -3.2728 -3.2728 -2.1668 -2.1668 -2.1668 -2.1668 -1.1124 -1.1124 -1.1124 -1.1124 2.9820 2.9820 2.9820 2.9820 3.4541 3.4541 3.4541 3.4541 9.6840 9.6840 9.6840 9.6840 11.6708 11.6708 k = 0.0000 0.3709 0.2760 ( 6856 PWs) bands (ev): -40.5544 -40.5544 -40.5544 -40.5544 -19.9449 -19.9449 -19.9449 -19.9449 -11.2553 -11.2553 -11.2553 -11.2553 -3.2630 -3.2630 -3.2630 -3.2630 -2.1763 -2.1763 -2.1763 -2.1763 -1.1122 -1.1122 -1.1122 -1.1122 2.9788 2.9788 2.9788 2.9788 3.4536 3.4536 3.4536 3.4536 9.7055 9.7055 9.7055 9.7055 11.6427 11.6427 k = 0.0000 0.3709 0.2852 ( 6864 PWs) bands (ev): -40.5544 -40.5544 -40.5544 -40.5544 -19.9449 -19.9449 -19.9449 -19.9449 -11.2554 -11.2554 -11.2554 -11.2554 -3.2558 -3.2558 -3.2558 -3.2558 -2.1833 -2.1833 -2.1833 -2.1833 -1.1120 -1.1120 -1.1120 -1.1120 2.9765 2.9765 2.9765 2.9765 3.4532 3.4532 3.4532 3.4532 9.7213 9.7213 9.7213 9.7213 11.6221 11.6221 k = 0.0000 0.3709 0.2944 ( 6860 PWs) bands (ev): -40.5544 -40.5544 -40.5544 -40.5544 -19.9449 -19.9449 -19.9449 -19.9449 -11.2555 -11.2555 -11.2555 -11.2555 -3.2514 -3.2514 -3.2514 -3.2514 -2.1875 -2.1875 -2.1875 -2.1875 -1.1119 -1.1119 -1.1119 -1.1119 2.9751 2.9751 2.9751 2.9751 3.4530 3.4530 3.4530 3.4530 9.7310 9.7310 9.7310 9.7310 11.6096 11.6096 k = 0.0000 0.3709 0.3036 ( 6864 PWs) bands (ev): -40.5544 -40.5544 -40.5544 -40.5544 -19.9450 -19.9450 -19.9450 -19.9450 -11.2555 -11.2555 -11.2555 -11.2555 -3.2499 -3.2499 -3.2499 -3.2499 -2.1890 -2.1890 -2.1890 -2.1890 -1.1119 -1.1119 -1.1119 -1.1119 2.9747 2.9747 2.9747 2.9747 3.4529 3.4529 3.4529 3.4529 9.7343 9.7343 9.7343 9.7343 11.6054 11.6054 k = 0.5000-0.0000 0.3036 ( 6856 PWs) bands (ev): -40.5439 -40.5439 -40.5439 -40.5439 -19.7842 -19.7842 -19.7841 -19.7841 -10.8052 -10.8052 -10.8050 -10.8050 -3.3714 -3.3714 -3.3704 -3.3704 -3.0526 -3.0526 -3.0448 -3.0448 -1.3824 -1.3824 -1.3722 -1.3722 2.0385 2.0385 2.0460 2.0460 2.6522 2.6522 2.6629 2.6629 10.1957 10.1957 10.2042 10.2042 12.9701 12.9701 k = 0.5000-0.0000 0.2944 ( 6856 PWs) bands (ev): -40.5439 -40.5439 -40.5439 -40.5439 -19.7842 -19.7842 -19.7841 -19.7841 -10.8052 -10.8052 -10.8050 -10.8050 -3.3737 -3.3737 -3.3727 -3.3727 -3.0499 -3.0499 -3.0421 -3.0421 -1.3831 -1.3831 -1.3729 -1.3729 2.0389 2.0389 2.0464 2.0464 2.6523 2.6523 2.6630 2.6630 10.1947 10.1947 10.2032 10.2032 12.9710 12.9710 k = 0.5000-0.0000 0.2852 ( 6860 PWs) bands (ev): -40.5439 -40.5439 -40.5439 -40.5439 -19.7841 -19.7841 -19.7841 -19.7841 -10.8053 -10.8053 -10.8051 -10.8051 -3.3803 -3.3803 -3.3792 -3.3792 -3.0418 -3.0418 -3.0341 -3.0341 -1.3853 -1.3853 -1.3751 -1.3751 2.0404 2.0404 2.0479 2.0479 2.6526 2.6526 2.6632 2.6632 10.1918 10.1918 10.2002 10.2002 12.9735 12.9735 k = 0.5000-0.0000 0.2760 ( 6872 PWs) bands (ev): -40.5439 -40.5439 -40.5439 -40.5439 -19.7840 -19.7840 -19.7840 -19.7840 -10.8055 -10.8055 -10.8053 -10.8053 -3.3907 -3.3907 -3.3895 -3.3895 -3.0289 -3.0289 -3.0214 -3.0214 -1.3890 -1.3890 -1.3787 -1.3787 2.0427 2.0427 2.0502 2.0502 2.6531 2.6531 2.6637 2.6637 10.1870 10.1870 10.1953 10.1953 12.9777 12.9777 k = 0.5000-0.0000 0.2668 ( 6880 PWs) bands (ev): -40.5439 -40.5439 -40.5439 -40.5439 -19.7840 -19.7840 -19.7839 -19.7839 -10.8057 -10.8057 -10.8055 -10.8055 -3.4041 -3.4041 -3.4027 -3.4027 -3.0122 -3.0122 -3.0048 -3.0048 -1.3940 -1.3940 -1.3838 -1.3838 2.0460 2.0460 2.0535 2.0535 2.6537 2.6537 2.6643 2.6643 10.1803 10.1803 10.1886 10.1886 12.9836 12.9836 k = 0.5000-0.0000 0.2576 ( 6888 PWs) bands (ev): -40.5440 -40.5440 -40.5440 -40.5440 -19.7838 -19.7838 -19.7838 -19.7838 -10.8060 -10.8060 -10.8058 -10.8058 -3.4195 -3.4195 -3.4181 -3.4181 -2.9924 -2.9924 -2.9850 -2.9850 -1.4005 -1.4005 -1.3903 -1.3903 2.0501 2.0501 2.0576 2.0576 2.6545 2.6545 2.6651 2.6651 10.1719 10.1719 10.1800 10.1800 12.9909 12.9909 k = 0.5000-0.0000 0.2484 ( 6888 PWs) bands (ev): -40.5440 -40.5440 -40.5440 -40.5440 -19.7837 -19.7837 -19.7837 -19.7837 -10.8064 -10.8064 -10.8062 -10.8062 -3.4365 -3.4365 -3.4350 -3.4350 -2.9701 -2.9701 -2.9629 -2.9629 -1.4084 -1.4084 -1.3982 -1.3982 2.0552 2.0552 2.0627 2.0627 2.6554 2.6554 2.6659 2.6659 10.1618 10.1618 10.1698 10.1698 12.9997 12.9997 k = 0.5000-0.0000 0.2392 ( 6888 PWs) bands (ev): -40.5440 -40.5440 -40.5440 -40.5440 -19.7836 -19.7836 -19.7835 -19.7835 -10.8068 -10.8068 -10.8066 -10.8066 -3.4545 -3.4545 -3.4529 -3.4529 -2.9460 -2.9460 -2.9387 -2.9387 -1.4176 -1.4176 -1.4074 -1.4074 2.0611 2.0611 2.0686 2.0686 2.6564 2.6564 2.6669 2.6669 10.1502 10.1502 10.1580 10.1580 13.0098 13.0098 k = 0.5000-0.0000 0.2300 ( 6896 PWs) bands (ev): -40.5440 -40.5440 -40.5440 -40.5440 -19.7834 -19.7834 -19.7833 -19.7833 -10.8072 -10.8072 -10.8071 -10.8071 -3.4730 -3.4730 -3.4714 -3.4714 -2.9203 -2.9203 -2.9131 -2.9131 -1.4281 -1.4281 -1.4179 -1.4179 2.0678 2.0678 2.0752 2.0752 2.6575 2.6575 2.6679 2.6679 10.1372 10.1372 10.1448 10.1448 13.0211 13.0211 k = 0.5000-0.0000 0.2208 ( 6880 PWs) bands (ev): -40.5440 -40.5440 -40.5440 -40.5440 -19.7832 -19.7832 -19.7831 -19.7831 -10.8078 -10.8078 -10.8076 -10.8076 -3.4917 -3.4917 -3.4901 -3.4901 -2.8935 -2.8935 -2.8863 -2.8863 -1.4398 -1.4398 -1.4297 -1.4297 2.0753 2.0753 2.0827 2.0827 2.6586 2.6586 2.6689 2.6689 10.1230 10.1230 10.1304 10.1304 13.0335 13.0335 k = 0.5000-0.0000 0.2116 ( 6888 PWs) bands (ev): -40.5440 -40.5440 -40.5440 -40.5440 -19.7830 -19.7830 -19.7829 -19.7829 -10.8083 -10.8083 -10.8082 -10.8082 -3.5105 -3.5105 -3.5088 -3.5088 -2.8658 -2.8658 -2.8586 -2.8586 -1.4527 -1.4527 -1.4427 -1.4427 2.0835 2.0835 2.0909 2.0909 2.6597 2.6597 2.6699 2.6699 10.1078 10.1078 10.1149 10.1149 13.0468 13.0468 k = 0.5000-0.0000 0.2024 ( 6890 PWs) bands (ev): -40.5440 -40.5440 -40.5440 -40.5440 -19.7827 -19.7827 -19.7827 -19.7827 -10.8089 -10.8089 -10.8088 -10.8088 -3.5291 -3.5291 -3.5274 -3.5274 -2.8373 -2.8373 -2.8302 -2.8302 -1.4667 -1.4667 -1.4567 -1.4567 2.0923 2.0923 2.0997 2.0997 2.6607 2.6607 2.6709 2.6709 10.0916 10.0916 10.0985 10.0985 13.0608 13.0608 k = 0.5000-0.0000 0.1932 ( 6872 PWs) bands (ev): -40.5440 -40.5440 -40.5440 -40.5440 -19.7825 -19.7825 -19.7825 -19.7825 -10.8096 -10.8096 -10.8094 -10.8094 -3.5473 -3.5473 -3.5457 -3.5457 -2.8084 -2.8084 -2.8013 -2.8013 -1.4818 -1.4818 -1.4719 -1.4719 2.1018 2.1018 2.1092 2.1092 2.6617 2.6617 2.6717 2.6717 10.0747 10.0747 10.0814 10.0814 13.0755 13.0755 k = 0.5000-0.0000 0.1840 ( 6884 PWs) bands (ev): -40.5440 -40.5440 -40.5440 -40.5440 -19.7822 -19.7822 -19.7822 -19.7822 -10.8102 -10.8102 -10.8101 -10.8101 -3.5651 -3.5651 -3.5636 -3.5636 -2.7790 -2.7790 -2.7719 -2.7719 -1.4979 -1.4979 -1.4880 -1.4880 2.1119 2.1119 2.1192 2.1192 2.6625 2.6625 2.6724 2.6724 10.0573 10.0573 10.0637 10.0637 13.0906 13.0906 k = 0.5000-0.0000 0.1748 ( 6892 PWs) bands (ev): -40.5440 -40.5440 -40.5440 -40.5440 -19.7820 -19.7820 -19.7819 -19.7819 -10.8109 -10.8109 -10.8108 -10.8108 -3.5824 -3.5824 -3.5809 -3.5809 -2.7494 -2.7494 -2.7423 -2.7423 -1.5149 -1.5149 -1.5051 -1.5051 2.1225 2.1225 2.1297 2.1297 2.6632 2.6632 2.6729 2.6729 10.0395 10.0395 10.0456 10.0456 13.1060 13.1060 k = 0.5000-0.0000 0.1656 ( 6882 PWs) bands (ev): -40.5440 -40.5440 -40.5440 -40.5440 -19.7817 -19.7817 -19.7817 -19.7817 -10.8116 -10.8116 -10.8115 -10.8115 -3.5991 -3.5991 -3.5977 -3.5977 -2.7196 -2.7196 -2.7125 -2.7125 -1.5328 -1.5328 -1.5230 -1.5230 2.1334 2.1334 2.1406 2.1406 2.6636 2.6636 2.6732 2.6732 10.0215 10.0215 10.0274 10.0274 13.1216 13.1216 k = 0.5000-0.0000 0.1564 ( 6886 PWs) bands (ev): -40.5440 -40.5440 -40.5440 -40.5440 -19.7814 -19.7814 -19.7814 -19.7814 -10.8123 -10.8123 -10.8122 -10.8122 -3.6152 -3.6152 -3.6138 -3.6138 -2.6897 -2.6897 -2.6826 -2.6826 -1.5514 -1.5514 -1.5417 -1.5417 2.1448 2.1448 2.1518 2.1518 2.6639 2.6639 2.6732 2.6732 10.0035 10.0035 10.0091 10.0091 13.1373 13.1373 k = 0.5000-0.0000 0.1472 ( 6886 PWs) bands (ev): -40.5440 -40.5440 -40.5440 -40.5440 -19.7812 -19.7812 -19.7811 -19.7811 -10.8131 -10.8131 -10.8129 -10.8129 -3.6305 -3.6305 -3.6292 -3.6292 -2.6599 -2.6599 -2.6528 -2.6528 -1.5706 -1.5706 -1.5611 -1.5611 2.1564 2.1564 2.1633 2.1633 2.6639 2.6639 2.6730 2.6730 9.9857 9.9857 9.9909 9.9909 13.1528 13.1528 k = 0.5000-0.0000 0.1380 ( 6882 PWs) bands (ev): -40.5440 -40.5440 -40.5440 -40.5440 -19.7809 -19.7809 -19.7809 -19.7809 -10.8138 -10.8138 -10.8136 -10.8136 -3.6451 -3.6451 -3.6438 -3.6438 -2.6302 -2.6302 -2.6231 -2.6231 -1.5904 -1.5904 -1.5810 -1.5810 2.1681 2.1681 2.1750 2.1750 2.6636 2.6636 2.6725 2.6725 9.9681 9.9681 9.9730 9.9730 13.1681 13.1681 k = 0.5000-0.0000 0.1288 ( 6898 PWs) bands (ev): -40.5440 -40.5440 -40.5440 -40.5440 -19.7806 -19.7806 -19.7806 -19.7806 -10.8145 -10.8145 -10.8144 -10.8144 -3.6588 -3.6588 -3.6576 -3.6576 -2.6007 -2.6007 -2.5936 -2.5936 -1.6106 -1.6106 -1.6014 -1.6014 2.1800 2.1800 2.1867 2.1867 2.6631 2.6631 2.6717 2.6717 9.9510 9.9510 9.9556 9.9556 13.1830 13.1830 k = 0.5000-0.0000 0.1196 ( 6898 PWs) bands (ev): -40.5440 -40.5440 -40.5440 -40.5440 -19.7803 -19.7803 -19.7803 -19.7803 -10.8152 -10.8152 -10.8151 -10.8151 -3.6718 -3.6718 -3.6706 -3.6706 -2.5716 -2.5716 -2.5646 -2.5646 -1.6312 -1.6312 -1.6222 -1.6222 2.1919 2.1919 2.1984 2.1984 2.6623 2.6623 2.6706 2.6706 9.9344 9.9344 9.9387 9.9387 13.1974 13.1974 k = 0.5000-0.0000 0.1104 ( 6892 PWs) bands (ev): -40.5440 -40.5440 -40.5440 -40.5440 -19.7801 -19.7801 -19.7801 -19.7801 -10.8158 -10.8158 -10.8157 -10.8157 -3.6838 -3.6838 -3.6828 -3.6828 -2.5430 -2.5430 -2.5360 -2.5360 -1.6519 -1.6519 -1.6431 -1.6431 2.2036 2.2036 2.2099 2.2099 2.6613 2.6613 2.6693 2.6693 9.9186 9.9186 9.9225 9.9225 13.2113 13.2113 k = 0.5000-0.0000 0.1012 ( 6884 PWs) bands (ev): -40.5440 -40.5440 -40.5440 -40.5440 -19.7798 -19.7798 -19.7798 -19.7798 -10.8165 -10.8165 -10.8164 -10.8164 -3.6950 -3.6950 -3.6941 -3.6941 -2.5149 -2.5149 -2.5081 -2.5081 -1.6727 -1.6727 -1.6641 -1.6641 2.2152 2.2152 2.2212 2.2212 2.6600 2.6600 2.6676 2.6676 9.9036 9.9036 9.9072 9.9072 13.2244 13.2244 k = 0.5000-0.0000 0.0920 ( 6888 PWs) bands (ev): -40.5440 -40.5440 -40.5440 -40.5440 -19.7796 -19.7796 -19.7796 -19.7796 -10.8171 -10.8171 -10.8170 -10.8170 -3.7053 -3.7053 -3.7044 -3.7044 -2.4877 -2.4877 -2.4810 -2.4810 -1.6933 -1.6933 -1.6851 -1.6851 2.2264 2.2264 2.2321 2.2321 2.6586 2.6586 2.6658 2.6658 9.8895 9.8895 9.8928 9.8928 13.2368 13.2368 k = 0.5000-0.0000 0.0828 ( 6890 PWs) bands (ev): -40.5440 -40.5440 -40.5440 -40.5440 -19.7794 -19.7794 -19.7794 -19.7794 -10.8176 -10.8176 -10.8176 -10.8176 -3.7146 -3.7146 -3.7139 -3.7139 -2.4613 -2.4613 -2.4549 -2.4549 -1.7136 -1.7136 -1.7057 -1.7057 2.2371 2.2371 2.2425 2.2425 2.6570 2.6570 2.6637 2.6637 9.8765 9.8765 9.8795 9.8795 13.2482 13.2482 k = 0.5000-0.0000 0.0736 ( 6890 PWs) bands (ev): -40.5440 -40.5440 -40.5440 -40.5440 -19.7792 -19.7792 -19.7792 -19.7792 -10.8182 -10.8182 -10.8181 -10.8181 -3.7231 -3.7231 -3.7223 -3.7223 -2.4362 -2.4362 -2.4300 -2.4300 -1.7333 -1.7333 -1.7258 -1.7258 2.2473 2.2473 2.2523 2.2523 2.6553 2.6553 2.6615 2.6615 9.8646 9.8646 9.8673 9.8673 13.2587 13.2587 k = 0.5000-0.0000 0.0644 ( 6898 PWs) bands (ev): -40.5440 -40.5440 -40.5440 -40.5440 -19.7790 -19.7790 -19.7790 -19.7790 -10.8186 -10.8186 -10.8186 -10.8186 -3.7305 -3.7305 -3.7299 -3.7299 -2.4125 -2.4125 -2.4066 -2.4066 -1.7520 -1.7520 -1.7451 -1.7451 2.2567 2.2567 2.2613 2.2613 2.6537 2.6537 2.6593 2.6593 9.8540 9.8540 9.8563 9.8563 13.2682 13.2682 k = 0.5000-0.0000 0.0552 ( 6890 PWs) bands (ev): -40.5440 -40.5440 -40.5440 -40.5440 -19.7789 -19.7789 -19.7789 -19.7789 -10.8190 -10.8190 -10.8190 -10.8190 -3.7370 -3.7370 -3.7364 -3.7364 -2.3905 -2.3905 -2.3851 -2.3851 -1.7696 -1.7696 -1.7633 -1.7633 2.2654 2.2654 2.2694 2.2694 2.6520 2.6520 2.6570 2.6570 9.8446 9.8446 9.8466 9.8466 13.2766 13.2766 k = 0.5000-0.0000 0.0460 ( 6884 PWs) bands (ev): -40.5440 -40.5440 -40.5440 -40.5440 -19.7787 -19.7787 -19.7787 -19.7787 -10.8194 -10.8194 -10.8193 -10.8193 -3.7424 -3.7424 -3.7420 -3.7420 -2.3707 -2.3707 -2.3659 -2.3659 -1.7855 -1.7855 -1.7799 -1.7799 2.2730 2.2730 2.2765 2.2765 2.6506 2.6506 2.6548 2.6548 9.8366 9.8366 9.8383 9.8383 13.2839 13.2839 k = 0.5000-0.0000 0.0368 ( 6872 PWs) bands (ev): -40.5440 -40.5440 -40.5440 -40.5440 -19.7786 -19.7786 -19.7786 -19.7786 -10.8197 -10.8197 -10.8196 -10.8196 -3.7469 -3.7469 -3.7466 -3.7466 -2.3533 -2.3533 -2.3493 -2.3493 -1.7994 -1.7994 -1.7946 -1.7946 2.2795 2.2795 2.2824 2.2824 2.6493 2.6493 2.6528 2.6528 9.8301 9.8301 9.8314 9.8314 13.2899 13.2899 k = 0.5000-0.0000 0.0276 ( 6866 PWs) bands (ev): -40.5440 -40.5440 -40.5440 -40.5440 -19.7785 -19.7785 -19.7785 -19.7785 -10.8199 -10.8199 -10.8199 -10.8199 -3.7504 -3.7504 -3.7502 -3.7502 -2.3390 -2.3390 -2.3358 -2.3358 -1.8107 -1.8107 -1.8069 -1.8069 2.2848 2.2848 2.2870 2.2870 2.6483 2.6483 2.6510 2.6510 9.8249 9.8249 9.8259 9.8259 13.2947 13.2947 k = 0.5000-0.0000 0.0184 ( 6870 PWs) bands (ev): -40.5440 -40.5440 -40.5440 -40.5440 -19.7785 -19.7785 -19.7785 -19.7785 -10.8201 -10.8201 -10.8201 -10.8201 -3.7529 -3.7529 -3.7527 -3.7527 -2.3282 -2.3282 -2.3260 -2.3260 -1.8190 -1.8190 -1.8164 -1.8164 2.2888 2.2888 2.2903 2.2903 2.6477 2.6477 2.6495 2.6495 9.8213 9.8213 9.8220 9.8220 13.2984 13.2984 k = 0.5000-0.0000 0.0092 ( 6870 PWs) bands (ev): -40.5440 -40.5440 -40.5440 -40.5440 -19.7784 -19.7784 -19.7784 -19.7784 -10.8202 -10.8202 -10.8202 -10.8202 -3.7544 -3.7544 -3.7543 -3.7543 -2.3213 -2.3213 -2.3201 -2.3201 -1.8238 -1.8238 -1.8225 -1.8225 2.2914 2.2914 2.2921 2.2921 2.6475 2.6475 2.6484 2.6484 9.8192 9.8192 9.8195 9.8195 13.3005 13.3008 k = 0.5000-0.0000-0.0000 ( 6874 PWs) bands (ev): -40.5440 -40.5440 -40.5440 -40.5440 -19.7784 -19.7784 -19.7784 -19.7784 -10.8202 -10.8202 -10.8202 -10.8202 -3.7548 -3.7548 -3.7548 -3.7548 -2.3185 -2.3185 -2.3185 -2.3185 -1.8251 -1.8251 -1.8251 -1.8251 2.2925 2.2925 2.2925 2.2925 2.6477 2.6477 2.6477 2.6477 9.8186 9.8186 9.8186 9.8186 13.3013 13.3013 k = 0.5000 0.3709-0.0000 ( 6876 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7345 -19.7345 -19.7345 -19.7345 -11.0636 -11.0636 -11.0635 -11.0635 -3.0557 -3.0557 -3.0456 -3.0456 -2.9259 -2.9259 -2.9259 -2.9259 -1.9579 -1.9579 -1.9458 -1.9458 2.1945 2.1945 2.2023 2.2023 3.4163 3.4163 3.4255 3.4255 9.6087 9.6087 9.6160 9.6160 14.7236 14.7238 k = 0.5000 0.3709 0.0092 ( 6880 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7345 -19.7345 -19.7345 -19.7345 -11.0636 -11.0636 -11.0634 -11.0634 -3.0589 -3.0589 -3.0492 -3.0492 -2.9225 -2.9225 -2.9222 -2.9222 -1.9582 -1.9582 -1.9461 -1.9461 2.1951 2.1951 2.2029 2.2029 3.4160 3.4160 3.4252 3.4252 9.6081 9.6081 9.6154 9.6154 14.7233 14.7241 k = 0.5000 0.3709 0.0184 ( 6880 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7345 -19.7345 -19.7345 -19.7345 -11.0634 -11.0634 -11.0632 -11.0632 -3.0678 -3.0678 -3.0589 -3.0589 -2.9132 -2.9132 -2.9121 -2.9121 -1.9591 -1.9591 -1.9469 -1.9469 2.1969 2.1969 2.2048 2.2048 3.4151 3.4151 3.4243 3.4243 9.6063 9.6063 9.6136 9.6136 14.7233 14.7237 k = 0.5000 0.3709 0.0276 ( 6872 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7346 -19.7346 -19.7346 -19.7346 -11.0630 -11.0630 -11.0629 -11.0629 -3.0806 -3.0806 -3.0725 -3.0725 -2.8998 -2.8998 -2.8978 -2.8978 -1.9606 -1.9606 -1.9484 -1.9484 2.2000 2.2000 2.2078 2.2078 3.4136 3.4136 3.4228 3.4228 9.6034 9.6034 9.6105 9.6105 14.7222 14.7230 k = 0.5000 0.3709 0.0368 ( 6868 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7347 -19.7347 -19.7347 -19.7347 -11.0626 -11.0626 -11.0624 -11.0624 -3.0958 -3.0958 -3.0885 -3.0885 -2.8837 -2.8837 -2.8809 -2.8809 -1.9627 -1.9627 -1.9505 -1.9505 2.2043 2.2043 2.2121 2.2121 3.4115 3.4115 3.4207 3.4207 9.5992 9.5992 9.6064 9.6064 14.7213 14.7219 k = 0.5000 0.3709 0.0460 ( 6868 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7348 -19.7348 -19.7348 -19.7348 -11.0620 -11.0620 -11.0619 -11.0619 -3.1123 -3.1123 -3.1057 -3.1057 -2.8660 -2.8660 -2.8625 -2.8625 -1.9654 -1.9654 -1.9532 -1.9532 2.2097 2.2097 2.2175 2.2175 3.4089 3.4089 3.4180 3.4180 9.5940 9.5940 9.6010 9.6010 14.7200 14.7208 k = 0.5000 0.3709 0.0552 ( 6868 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7350 -19.7350 -19.7350 -19.7350 -11.0613 -11.0613 -11.0612 -11.0612 -3.1296 -3.1296 -3.1235 -3.1235 -2.8472 -2.8472 -2.8431 -2.8431 -1.9686 -1.9686 -1.9565 -1.9565 2.2162 2.2162 2.2240 2.2240 3.4056 3.4056 3.4148 3.4148 9.5877 9.5877 9.5947 9.5947 14.7186 14.7194 k = 0.5000 0.3709 0.0644 ( 6868 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7352 -19.7352 -19.7351 -19.7351 -11.0605 -11.0605 -11.0603 -11.0603 -3.1472 -3.1472 -3.1417 -3.1417 -2.8277 -2.8277 -2.8231 -2.8231 -1.9725 -1.9725 -1.9603 -1.9603 2.2239 2.2239 2.2316 2.2316 3.4018 3.4018 3.4109 3.4109 9.5805 9.5805 9.5873 9.5873 14.7169 14.7178 k = 0.5000 0.3709 0.0736 ( 6880 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7354 -19.7354 -19.7353 -19.7353 -11.0596 -11.0596 -11.0594 -11.0594 -3.1651 -3.1651 -3.1599 -3.1599 -2.8077 -2.8077 -2.8027 -2.8027 -1.9769 -1.9769 -1.9647 -1.9647 2.2325 2.2325 2.2403 2.2403 3.3975 3.3975 3.4065 3.4065 9.5723 9.5723 9.5790 9.5790 14.7151 14.7159 k = 0.5000 0.3709 0.0828 ( 6880 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7356 -19.7356 -19.7355 -19.7355 -11.0585 -11.0585 -11.0584 -11.0584 -3.1829 -3.1829 -3.1781 -3.1781 -2.7875 -2.7875 -2.7820 -2.7820 -1.9819 -1.9819 -1.9698 -1.9698 2.2421 2.2421 2.2499 2.2499 3.3926 3.3926 3.4016 3.4016 9.5633 9.5633 9.5698 9.5698 14.7131 14.7140 k = 0.5000 0.3709 0.0920 ( 6884 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7358 -19.7358 -19.7358 -19.7358 -11.0574 -11.0574 -11.0573 -11.0573 -3.2005 -3.2005 -3.1961 -3.1961 -2.7670 -2.7670 -2.7611 -2.7611 -1.9875 -1.9875 -1.9753 -1.9753 2.2527 2.2527 2.2604 2.2604 3.3873 3.3873 3.3962 3.3962 9.5535 9.5535 9.5599 9.5599 14.7110 14.7117 k = 0.5000 0.3709 0.1012 ( 6888 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7361 -19.7361 -19.7360 -19.7360 -11.0562 -11.0562 -11.0561 -11.0561 -3.2180 -3.2180 -3.2139 -3.2139 -2.7463 -2.7463 -2.7401 -2.7401 -1.9936 -1.9936 -1.9815 -1.9815 2.2640 2.2640 2.2717 2.2717 3.3815 3.3815 3.3903 3.3903 9.5431 9.5431 9.5493 9.5493 14.7087 14.7093 k = 0.5000 0.3709 0.1104 ( 6876 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7363 -19.7363 -19.7363 -19.7363 -11.0550 -11.0550 -11.0549 -11.0549 -3.2351 -3.2351 -3.2313 -3.2313 -2.7255 -2.7255 -2.7190 -2.7190 -2.0003 -2.0003 -1.9882 -1.9882 2.2761 2.2761 2.2837 2.2837 3.3752 3.3752 3.3840 3.3840 9.5322 9.5322 9.5382 9.5382 14.7060 14.7070 k = 0.5000 0.3709 0.1196 ( 6872 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7366 -19.7366 -19.7366 -19.7366 -11.0537 -11.0537 -11.0535 -11.0535 -3.2518 -3.2518 -3.2483 -3.2483 -2.7047 -2.7047 -2.6979 -2.6979 -2.0075 -2.0075 -1.9955 -1.9955 2.2889 2.2889 2.2964 2.2964 3.3686 3.3686 3.3772 3.3772 9.5208 9.5208 9.5266 9.5266 14.7034 14.7040 k = 0.5000 0.3709 0.1288 ( 6872 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7369 -19.7369 -19.7369 -19.7369 -11.0523 -11.0523 -11.0522 -11.0522 -3.2682 -3.2682 -3.2649 -3.2649 -2.6839 -2.6839 -2.6768 -2.6768 -2.0153 -2.0153 -2.0033 -2.0033 2.3022 2.3022 2.3097 2.3097 3.3615 3.3615 3.3701 3.3701 9.5091 9.5091 9.5146 9.5146 14.6999 14.7003 k = 0.5000 0.3709 0.1380 ( 6872 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7372 -19.7372 -19.7372 -19.7372 -11.0509 -11.0509 -11.0508 -11.0508 -3.2840 -3.2840 -3.2810 -3.2810 -2.6631 -2.6631 -2.6557 -2.6557 -2.0236 -2.0236 -2.0116 -2.0116 2.3160 2.3160 2.3234 2.3234 3.3542 3.3542 3.3626 3.3626 9.4971 9.4971 9.5025 9.5025 14.6960 14.6966 k = 0.5000 0.3709 0.1472 ( 6868 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7375 -19.7375 -19.7374 -19.7374 -11.0495 -11.0495 -11.0494 -11.0494 -3.2993 -3.2993 -3.2965 -3.2965 -2.6423 -2.6423 -2.6347 -2.6347 -2.0324 -2.0324 -2.0205 -2.0205 2.3302 2.3302 2.3374 2.3374 3.3466 3.3466 3.3548 3.3548 9.4851 9.4851 9.4902 9.4902 14.6911 14.6916 k = 0.5000 0.3709 0.1564 ( 6872 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7378 -19.7378 -19.7377 -19.7377 -11.0481 -11.0481 -11.0480 -11.0480 -3.3139 -3.3139 -3.3114 -3.3114 -2.6217 -2.6217 -2.6138 -2.6138 -2.0416 -2.0416 -2.0298 -2.0298 2.3446 2.3446 2.3517 2.3517 3.3387 3.3387 3.3468 3.3468 9.4730 9.4730 9.4778 9.4778 14.6853 14.6857 k = 0.5000 0.3709 0.1656 ( 6868 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7381 -19.7381 -19.7380 -19.7380 -11.0467 -11.0467 -11.0466 -11.0466 -3.3280 -3.3280 -3.3256 -3.3256 -2.6011 -2.6011 -2.5931 -2.5931 -2.0514 -2.0514 -2.0397 -2.0397 2.3592 2.3592 2.3661 2.3661 3.3307 3.3307 3.3386 3.3386 9.4611 9.4611 9.4656 9.4656 14.6771 14.6780 k = 0.5000 0.3709 0.1748 ( 6872 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7384 -19.7384 -19.7383 -19.7383 -11.0453 -11.0453 -11.0452 -11.0452 -3.3414 -3.3414 -3.3392 -3.3392 -2.5807 -2.5807 -2.5726 -2.5726 -2.0616 -2.0616 -2.0500 -2.0500 2.3738 2.3738 2.3805 2.3805 3.3226 3.3226 3.3302 3.3302 9.4494 9.4494 9.4536 9.4536 14.6675 14.6681 k = 0.5000 0.3709 0.1840 ( 6880 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7386 -19.7386 -19.7386 -19.7386 -11.0439 -11.0439 -11.0438 -11.0438 -3.3540 -3.3540 -3.3520 -3.3520 -2.5606 -2.5606 -2.5522 -2.5522 -2.0722 -2.0722 -2.0607 -2.0607 2.3882 2.3882 2.3947 2.3947 3.3145 3.3145 3.3219 3.3219 9.4380 9.4380 9.4420 9.4420 14.6550 14.6553 k = 0.5000 0.3709 0.1932 ( 6884 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7389 -19.7389 -19.7389 -19.7389 -11.0426 -11.0426 -11.0425 -11.0425 -3.3659 -3.3659 -3.3641 -3.3641 -2.5407 -2.5407 -2.5322 -2.5322 -2.0832 -2.0832 -2.0718 -2.0718 2.4025 2.4025 2.4087 2.4087 3.3065 3.3065 3.3135 3.3135 9.4270 9.4270 9.4307 9.4307 14.6401 14.6407 k = 0.5000 0.3709 0.2024 ( 6888 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7392 -19.7392 -19.7392 -19.7392 -11.0413 -11.0413 -11.0412 -11.0412 -3.3770 -3.3770 -3.3754 -3.3754 -2.5210 -2.5210 -2.5125 -2.5125 -2.0945 -2.0945 -2.0833 -2.0833 2.4163 2.4163 2.4223 2.4223 3.2986 3.2986 3.3052 3.3052 9.4165 9.4165 9.4199 9.4199 14.6224 14.6230 k = 0.5000 0.3709 0.2116 ( 6892 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7394 -19.7394 -19.7394 -19.7394 -11.0401 -11.0401 -11.0401 -11.0401 -3.3872 -3.3872 -3.3858 -3.3858 -2.5018 -2.5018 -2.4932 -2.4932 -2.1061 -2.1061 -2.0951 -2.0951 2.4297 2.4297 2.4353 2.4353 3.2909 3.2909 3.2972 3.2972 9.4066 9.4066 9.4098 9.4098 14.6035 14.6040 k = 0.5000 0.3709 0.2208 ( 6884 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7397 -19.7397 -19.7396 -19.7396 -11.0390 -11.0390 -11.0389 -11.0389 -3.3966 -3.3966 -3.3953 -3.3953 -2.4830 -2.4830 -2.4745 -2.4745 -2.1178 -2.1178 -2.1071 -2.1071 2.4424 2.4424 2.4476 2.4476 3.2836 3.2836 3.2894 3.2894 9.3975 9.3975 9.4003 9.4003 14.5838 14.5843 k = 0.5000 0.3709 0.2300 ( 6896 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7399 -19.7399 -19.7399 -19.7399 -11.0380 -11.0380 -11.0379 -11.0379 -3.4050 -3.4050 -3.4039 -3.4039 -2.4648 -2.4648 -2.4563 -2.4563 -2.1296 -2.1296 -2.1193 -2.1193 2.4543 2.4543 2.4591 2.4591 3.2767 3.2767 3.2820 3.2820 9.3891 9.3891 9.3916 9.3916 14.5646 14.5648 k = 0.5000 0.3709 0.2392 ( 6896 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7401 -19.7401 -19.7401 -19.7401 -11.0370 -11.0370 -11.0370 -11.0370 -3.4126 -3.4126 -3.4116 -3.4116 -2.4473 -2.4473 -2.4390 -2.4390 -2.1414 -2.1414 -2.1315 -2.1315 2.4653 2.4653 2.4696 2.4696 3.2703 3.2703 3.2751 3.2751 9.3815 9.3815 9.3837 9.3837 14.5464 14.5464 k = 0.5000 0.3709 0.2484 ( 6900 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7402 -19.7402 -19.7402 -19.7402 -11.0362 -11.0362 -11.0362 -11.0362 -3.4191 -3.4191 -3.4183 -3.4183 -2.4306 -2.4306 -2.4226 -2.4226 -2.1528 -2.1528 -2.1435 -2.1435 2.4752 2.4752 2.4790 2.4790 3.2646 3.2646 3.2689 3.2689 9.3748 9.3748 9.3767 9.3767 14.5297 14.5297 k = 0.5000 0.3709 0.2576 ( 6892 PWs) bands (ev): -40.5436 -40.5436 -40.5436 -40.5436 -19.7404 -19.7404 -19.7404 -19.7404 -11.0355 -11.0355 -11.0355 -11.0355 -3.4247 -3.4247 -3.4240 -3.4240 -2.4150 -2.4150 -2.4076 -2.4076 -2.1637 -2.1637 -2.1551 -2.1551 2.4839 2.4839 2.4871 2.4871 3.2597 3.2597 3.2633 3.2633 9.3691 9.3691 9.3707 9.3707 14.5151 14.5151 k = 0.5000 0.3709 0.2668 ( 6900 PWs) bands (ev): -40.5437 -40.5437 -40.5436 -40.5436 -19.7405 -19.7405 -19.7405 -19.7405 -11.0349 -11.0349 -11.0349 -11.0349 -3.4293 -3.4293 -3.4287 -3.4287 -2.4008 -2.4008 -2.3942 -2.3942 -2.1737 -2.1737 -2.1661 -2.1661 2.4913 2.4913 2.4939 2.4939 3.2555 3.2555 3.2584 3.2584 9.3644 9.3644 9.3657 9.3657 14.5027 14.5027 k = 0.5000 0.3709 0.2760 ( 6904 PWs) bands (ev): -40.5437 -40.5437 -40.5437 -40.5437 -19.7406 -19.7406 -19.7406 -19.7406 -11.0344 -11.0344 -11.0344 -11.0344 -3.4329 -3.4329 -3.4324 -3.4324 -2.3885 -2.3885 -2.3830 -2.3830 -2.1822 -2.1822 -2.1759 -2.1759 2.4972 2.4972 2.4992 2.4992 3.2523 3.2523 3.2545 3.2545 9.3607 9.3607 9.3617 9.3617 14.4930 14.4930 k = 0.5000 0.3709 0.2852 ( 6892 PWs) bands (ev): -40.5436 -40.5436 -40.5436 -40.5436 -19.7407 -19.7407 -19.7407 -19.7407 -11.0341 -11.0341 -11.0341 -11.0341 -3.4354 -3.4354 -3.4351 -3.4351 -2.3787 -2.3787 -2.3746 -2.3746 -2.1886 -2.1886 -2.1840 -2.1840 2.5016 2.5016 2.5030 2.5030 3.2500 3.2500 3.2515 3.2515 9.3581 9.3581 9.3588 9.3588 14.4859 14.4859 k = 0.5000 0.3709 0.2944 ( 6892 PWs) bands (ev): -40.5436 -40.5436 -40.5436 -40.5436 -19.7407 -19.7407 -19.7407 -19.7407 -11.0339 -11.0339 -11.0339 -11.0339 -3.4369 -3.4369 -3.4368 -3.4368 -2.3719 -2.3719 -2.3697 -2.3697 -2.1922 -2.1922 -2.1898 -2.1898 2.5044 2.5044 2.5051 2.5051 3.2488 3.2488 3.2496 3.2496 9.3566 9.3566 9.3570 9.3570 14.4816 14.4816 k = 0.5000 0.3709 0.3036 ( 6896 PWs) bands (ev): -40.5436 -40.5436 -40.5436 -40.5436 -19.7407 -19.7407 -19.7407 -19.7407 -11.0338 -11.0338 -11.0338 -11.0338 -3.4373 -3.4373 -3.4373 -3.4373 -2.3688 -2.3688 -2.3688 -2.3688 -2.1927 -2.1927 -2.1927 -2.1927 2.5056 2.5056 2.5056 2.5056 3.2487 3.2487 3.2487 3.2487 9.3562 9.3562 9.3562 9.3562 14.4802 14.4802 Writing output data file LiO2.save init_run : 0.10s CPU 0.20s WALL ( 1 calls) electrons : 197.30s CPU 200.79s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 197.29s CPU 200.77s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.00s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.08s WALL ( 520 calls) cegterg : 180.96s CPU 183.37s WALL ( 800 calls) Called by sum_band: Called by *egterg: h_psi : 107.55s CPU 109.70s WALL ( 12406 calls) s_psi : 2.71s CPU 2.93s WALL ( 12406 calls) g_psi : 0.46s CPU 0.46s WALL ( 11086 calls) cdiaghg : 58.77s CPU 59.53s WALL ( 11606 calls) cegterg:over : 8.35s CPU 8.38s WALL ( 11086 calls) cegterg:upda : 8.94s CPU 8.94s WALL ( 11086 calls) cegterg:last : 3.70s CPU 3.65s WALL ( 1840 calls) cdiaghg:chol : 3.53s CPU 3.39s WALL ( 11606 calls) cdiaghg:inve : 1.88s CPU 1.85s WALL ( 11606 calls) cdiaghg:para : 3.31s CPU 3.32s WALL ( 23212 calls) Called by h_psi: h_psi:vloc : 98.62s CPU 100.47s WALL ( 12406 calls) h_psi:vnl : 8.49s CPU 8.78s WALL ( 12406 calls) add_vuspsi : 3.21s CPU 3.42s WALL ( 12406 calls) General routines calbec : 5.26s CPU 5.33s WALL ( 12406 calls) fft : 0.00s CPU 0.00s WALL ( 15 calls) fftw : 93.21s CPU 95.09s WALL ( 946824 calls) davcio : 0.34s CPU 0.47s WALL ( 1040 calls) Parallel routines fft_scatter : 33.51s CPU 34.13s WALL ( 946839 calls) PWSCF : 3m41.11s CPU 4m 7.98s WALL This run was terminated on: 20:41: 4 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=