Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 15:57: 5 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: ./H6C3O.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 45 26 7 3547 1537 239 Max 46 27 8 3558 1566 248 Sum 1639 945 279 127823 55753 8761 bravais-lattice index = 14 lattice parameter (alat) = 8.0043 a.u. unit-cell volume = 1280.3706 (a.u.)^3 number of atoms/cell = 20 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.004287 celldm(2)= 1.000000 celldm(3)= 2.539376 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.182545 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.182545 0.983197 0.000000 ) a(3) = ( 0.000000 0.000000 2.539376 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.185665 -0.000000 ) b(2) = ( 0.000000 1.017090 -0.000000 ) b(3) = ( 0.000000 0.000000 0.393798 ) 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 H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) H 1.00 1.00790 H( 1.00) C 4.00 12.01070 C( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.2696879 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -1.2696879 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 352 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 2) = ( 0.0084563 0.0101709 -0.0000000), wk = 0.0028409 k( 3) = ( 0.0169127 0.0203418 -0.0000000), wk = 0.0028409 k( 4) = ( 0.0253690 0.0305127 -0.0000000), wk = 0.0028409 k( 5) = ( 0.0338253 0.0406836 -0.0000000), wk = 0.0028409 k( 6) = ( 0.0422817 0.0508545 -0.0000000), wk = 0.0028409 k( 7) = ( 0.0507380 0.0610254 -0.0000000), wk = 0.0028409 k( 8) = ( 0.0591943 0.0711963 -0.0000000), wk = 0.0028409 k( 9) = ( 0.0676507 0.0813672 -0.0000000), wk = 0.0028409 k( 10) = ( 0.0761070 0.0915381 -0.0000000), wk = 0.0028409 k( 11) = ( 0.0845633 0.1017090 -0.0000000), wk = 0.0028409 k( 12) = ( 0.0930197 0.1118799 -0.0000000), wk = 0.0028409 k( 13) = ( 0.1014760 0.1220508 -0.0000000), wk = 0.0028409 k( 14) = ( 0.1099323 0.1322217 -0.0000000), wk = 0.0028409 k( 15) = ( 0.1183887 0.1423926 -0.0000000), wk = 0.0028409 k( 16) = ( 0.1268450 0.1525635 -0.0000000), wk = 0.0028409 k( 17) = ( 0.1353013 0.1627344 -0.0000000), wk = 0.0028409 k( 18) = ( 0.1437577 0.1729053 -0.0000000), wk = 0.0028409 k( 19) = ( 0.1522140 0.1830762 -0.0000000), wk = 0.0028409 k( 20) = ( 0.1606704 0.1932471 -0.0000000), wk = 0.0028409 k( 21) = ( 0.1691267 0.2034179 -0.0000000), wk = 0.0028409 k( 22) = ( 0.1775830 0.2135889 -0.0000000), wk = 0.0028409 k( 23) = ( 0.1860394 0.2237597 -0.0000000), wk = 0.0028409 k( 24) = ( 0.1944957 0.2339306 -0.0000000), wk = 0.0028409 k( 25) = ( 0.2029520 0.2441015 -0.0000000), wk = 0.0028409 k( 26) = ( 0.2114084 0.2542724 -0.0000000), wk = 0.0028409 k( 27) = ( 0.2198647 0.2644433 -0.0000000), wk = 0.0028409 k( 28) = ( 0.2283210 0.2746142 -0.0000000), wk = 0.0028409 k( 29) = ( 0.2367774 0.2847851 -0.0000000), wk = 0.0028409 k( 30) = ( 0.2452337 0.2949560 -0.0000000), wk = 0.0028409 k( 31) = ( 0.2536900 0.3051269 -0.0000000), wk = 0.0028409 k( 32) = ( 0.2621464 0.3152978 -0.0000000), wk = 0.0028409 k( 33) = ( 0.2706027 0.3254687 -0.0000000), wk = 0.0028409 k( 34) = ( 0.2790590 0.3356396 -0.0000000), wk = 0.0028409 k( 35) = ( 0.2875154 0.3458105 -0.0000000), wk = 0.0028409 k( 36) = ( 0.2959717 0.3559814 -0.0000000), wk = 0.0028409 k( 37) = ( 0.3044280 0.3661523 -0.0000000), wk = 0.0028409 k( 38) = ( 0.3128844 0.3763232 -0.0000000), wk = 0.0028409 k( 39) = ( 0.3213407 0.3864941 -0.0000000), wk = 0.0028409 k( 40) = ( 0.3297970 0.3966650 -0.0000000), wk = 0.0028409 k( 41) = ( 0.3382534 0.4068359 -0.0000000), wk = 0.0028409 k( 42) = ( 0.3467097 0.4170068 -0.0000000), wk = 0.0028409 k( 43) = ( 0.3551661 0.4271777 -0.0000000), wk = 0.0028409 k( 44) = ( 0.3636224 0.4373486 -0.0000000), wk = 0.0028409 k( 45) = ( 0.3720787 0.4475195 -0.0000000), wk = 0.0028409 k( 46) = ( 0.3805350 0.4576904 -0.0000000), wk = 0.0028409 k( 47) = ( 0.3889914 0.4678613 -0.0000000), wk = 0.0028409 k( 48) = ( 0.3974477 0.4780322 -0.0000000), wk = 0.0028409 k( 49) = ( 0.4059041 0.4882031 -0.0000000), wk = 0.0028409 k( 50) = ( 0.4143604 0.4983740 -0.0000000), wk = 0.0028409 k( 51) = ( 0.4228167 0.5085449 -0.0000000), wk = 0.0028409 k( 52) = ( 0.4228167 0.5085449 -0.0000000), wk = 0.0028409 k( 53) = ( 0.4096037 0.5085449 -0.0000000), wk = 0.0028409 k( 54) = ( 0.3963907 0.5085449 -0.0000000), wk = 0.0028409 k( 55) = ( 0.3831777 0.5085449 -0.0000000), wk = 0.0028409 k( 56) = ( 0.3699646 0.5085449 -0.0000000), wk = 0.0028409 k( 57) = ( 0.3567516 0.5085449 -0.0000000), wk = 0.0028409 k( 58) = ( 0.3435386 0.5085449 -0.0000000), wk = 0.0028409 k( 59) = ( 0.3303256 0.5085449 -0.0000000), wk = 0.0028409 k( 60) = ( 0.3171125 0.5085449 -0.0000000), wk = 0.0028409 k( 61) = ( 0.3038995 0.5085449 -0.0000000), wk = 0.0028409 k( 62) = ( 0.2906865 0.5085449 -0.0000000), wk = 0.0028409 k( 63) = ( 0.2774735 0.5085449 -0.0000000), wk = 0.0028409 k( 64) = ( 0.2642604 0.5085449 -0.0000000), wk = 0.0028409 k( 65) = ( 0.2510474 0.5085449 -0.0000000), wk = 0.0028409 k( 66) = ( 0.2378344 0.5085449 -0.0000000), wk = 0.0028409 k( 67) = ( 0.2246214 0.5085449 -0.0000000), wk = 0.0028409 k( 68) = ( 0.2114084 0.5085449 -0.0000000), wk = 0.0028409 k( 69) = ( 0.1981953 0.5085449 -0.0000000), wk = 0.0028409 k( 70) = ( 0.1849823 0.5085449 -0.0000000), wk = 0.0028409 k( 71) = ( 0.1717693 0.5085449 -0.0000000), wk = 0.0028409 k( 72) = ( 0.1585563 0.5085449 -0.0000000), wk = 0.0028409 k( 73) = ( 0.1453433 0.5085449 -0.0000000), wk = 0.0028409 k( 74) = ( 0.1321302 0.5085449 -0.0000000), wk = 0.0028409 k( 75) = ( 0.1189172 0.5085449 -0.0000000), wk = 0.0028409 k( 76) = ( 0.1057042 0.5085449 -0.0000000), wk = 0.0028409 k( 77) = ( 0.0924912 0.5085449 -0.0000000), wk = 0.0028409 k( 78) = ( 0.0792781 0.5085449 -0.0000000), wk = 0.0028409 k( 79) = ( 0.0660651 0.5085449 -0.0000000), wk = 0.0028409 k( 80) = ( 0.0528521 0.5085449 -0.0000000), wk = 0.0028409 k( 81) = ( 0.0396391 0.5085449 -0.0000000), wk = 0.0028409 k( 82) = ( 0.0264260 0.5085449 -0.0000000), wk = 0.0028409 k( 83) = ( 0.0132130 0.5085449 -0.0000000), wk = 0.0028409 k( 84) = ( 0.0000000 0.5085449 -0.0000000), wk = 0.0028409 k( 85) = ( 0.0000000 0.5085449 -0.0000000), wk = 0.0028409 k( 86) = ( 0.0000000 0.5085449 0.0131266), wk = 0.0028409 k( 87) = ( 0.0000000 0.5085449 0.0262532), wk = 0.0028409 k( 88) = ( 0.0000000 0.5085449 0.0393798), wk = 0.0028409 k( 89) = ( 0.0000000 0.5085449 0.0525063), wk = 0.0028409 k( 90) = ( 0.0000000 0.5085449 0.0656329), wk = 0.0028409 k( 91) = ( 0.0000000 0.5085449 0.0787595), wk = 0.0028409 k( 92) = ( 0.0000000 0.5085449 0.0918861), wk = 0.0028409 k( 93) = ( 0.0000000 0.5085449 0.1050127), wk = 0.0028409 k( 94) = ( 0.0000000 0.5085449 0.1181393), wk = 0.0028409 k( 95) = ( 0.0000000 0.5085449 0.1312659), wk = 0.0028409 k( 96) = ( 0.0000000 0.5085449 0.1443924), wk = 0.0028409 k( 97) = ( 0.0000000 0.5085449 0.1575190), wk = 0.0028409 k( 98) = ( 0.0000000 0.5085449 0.1706456), wk = 0.0028409 k( 99) = ( 0.0000000 0.5085449 0.1837722), wk = 0.0028409 k( 100) = ( 0.0000000 0.5085449 0.1968988), wk = 0.0028409 k( 101) = ( 0.0000000 0.5085449 0.1968988), wk = 0.0028409 k( 102) = ( 0.0132130 0.5085449 0.1968988), wk = 0.0028409 k( 103) = ( 0.0264260 0.5085449 0.1968988), wk = 0.0028409 k( 104) = ( 0.0396391 0.5085449 0.1968988), wk = 0.0028409 k( 105) = ( 0.0528521 0.5085449 0.1968988), wk = 0.0028409 k( 106) = ( 0.0660651 0.5085449 0.1968988), wk = 0.0028409 k( 107) = ( 0.0792781 0.5085449 0.1968988), wk = 0.0028409 k( 108) = ( 0.0924912 0.5085449 0.1968988), wk = 0.0028409 k( 109) = ( 0.1057042 0.5085449 0.1968988), wk = 0.0028409 k( 110) = ( 0.1189172 0.5085449 0.1968988), wk = 0.0028409 k( 111) = ( 0.1321302 0.5085449 0.1968988), wk = 0.0028409 k( 112) = ( 0.1453433 0.5085449 0.1968988), wk = 0.0028409 k( 113) = ( 0.1585563 0.5085449 0.1968988), wk = 0.0028409 k( 114) = ( 0.1717693 0.5085449 0.1968988), wk = 0.0028409 k( 115) = ( 0.1849823 0.5085449 0.1968988), wk = 0.0028409 k( 116) = ( 0.1981953 0.5085449 0.1968988), wk = 0.0028409 k( 117) = ( 0.2114084 0.5085449 0.1968988), wk = 0.0028409 k( 118) = ( 0.2246214 0.5085449 0.1968988), wk = 0.0028409 k( 119) = ( 0.2378344 0.5085449 0.1968988), wk = 0.0028409 k( 120) = ( 0.2510474 0.5085449 0.1968988), wk = 0.0028409 k( 121) = ( 0.2642604 0.5085449 0.1968988), wk = 0.0028409 k( 122) = ( 0.2774735 0.5085449 0.1968988), wk = 0.0028409 k( 123) = ( 0.2906865 0.5085449 0.1968988), wk = 0.0028409 k( 124) = ( 0.3038995 0.5085449 0.1968988), wk = 0.0028409 k( 125) = ( 0.3171125 0.5085449 0.1968988), wk = 0.0028409 k( 126) = ( 0.3303256 0.5085449 0.1968988), wk = 0.0028409 k( 127) = ( 0.3435386 0.5085449 0.1968988), wk = 0.0028409 k( 128) = ( 0.3567516 0.5085449 0.1968988), wk = 0.0028409 k( 129) = ( 0.3699646 0.5085449 0.1968988), wk = 0.0028409 k( 130) = ( 0.3831777 0.5085449 0.1968988), wk = 0.0028409 k( 131) = ( 0.3963907 0.5085449 0.1968988), wk = 0.0028409 k( 132) = ( 0.4096037 0.5085449 0.1968988), wk = 0.0028409 k( 133) = ( 0.4228167 0.5085449 0.1968988), wk = 0.0028409 k( 134) = ( 0.4228167 0.5085449 0.1968988), wk = 0.0028409 k( 135) = ( 0.4143604 0.4983740 0.1968988), wk = 0.0028409 k( 136) = ( 0.4059041 0.4882031 0.1968988), wk = 0.0028409 k( 137) = ( 0.3974477 0.4780322 0.1968988), wk = 0.0028409 k( 138) = ( 0.3889914 0.4678613 0.1968988), wk = 0.0028409 k( 139) = ( 0.3805350 0.4576904 0.1968988), wk = 0.0028409 k( 140) = ( 0.3720787 0.4475195 0.1968988), wk = 0.0028409 k( 141) = ( 0.3636224 0.4373486 0.1968988), wk = 0.0028409 k( 142) = ( 0.3551661 0.4271777 0.1968988), wk = 0.0028409 k( 143) = ( 0.3467097 0.4170068 0.1968988), wk = 0.0028409 k( 144) = ( 0.3382534 0.4068359 0.1968988), wk = 0.0028409 k( 145) = ( 0.3297970 0.3966650 0.1968988), wk = 0.0028409 k( 146) = ( 0.3213407 0.3864941 0.1968988), wk = 0.0028409 k( 147) = ( 0.3128844 0.3763232 0.1968988), wk = 0.0028409 k( 148) = ( 0.3044280 0.3661523 0.1968988), wk = 0.0028409 k( 149) = ( 0.2959717 0.3559814 0.1968988), wk = 0.0028409 k( 150) = ( 0.2875154 0.3458105 0.1968988), wk = 0.0028409 k( 151) = ( 0.2790590 0.3356396 0.1968988), wk = 0.0028409 k( 152) = ( 0.2706027 0.3254687 0.1968988), wk = 0.0028409 k( 153) = ( 0.2621464 0.3152978 0.1968988), wk = 0.0028409 k( 154) = ( 0.2536900 0.3051269 0.1968988), wk = 0.0028409 k( 155) = ( 0.2452337 0.2949560 0.1968988), wk = 0.0028409 k( 156) = ( 0.2367774 0.2847851 0.1968988), wk = 0.0028409 k( 157) = ( 0.2283210 0.2746142 0.1968988), wk = 0.0028409 k( 158) = ( 0.2198647 0.2644433 0.1968988), wk = 0.0028409 k( 159) = ( 0.2114084 0.2542724 0.1968988), wk = 0.0028409 k( 160) = ( 0.2029520 0.2441015 0.1968988), wk = 0.0028409 k( 161) = ( 0.1944957 0.2339306 0.1968988), wk = 0.0028409 k( 162) = ( 0.1860394 0.2237597 0.1968988), wk = 0.0028409 k( 163) = ( 0.1775830 0.2135889 0.1968988), wk = 0.0028409 k( 164) = ( 0.1691267 0.2034179 0.1968988), wk = 0.0028409 k( 165) = ( 0.1606704 0.1932471 0.1968988), wk = 0.0028409 k( 166) = ( 0.1522140 0.1830762 0.1968988), wk = 0.0028409 k( 167) = ( 0.1437577 0.1729053 0.1968988), wk = 0.0028409 k( 168) = ( 0.1353013 0.1627344 0.1968988), wk = 0.0028409 k( 169) = ( 0.1268450 0.1525635 0.1968988), wk = 0.0028409 k( 170) = ( 0.1183887 0.1423926 0.1968988), wk = 0.0028409 k( 171) = ( 0.1099323 0.1322217 0.1968988), wk = 0.0028409 k( 172) = ( 0.1014760 0.1220508 0.1968988), wk = 0.0028409 k( 173) = ( 0.0930197 0.1118799 0.1968988), wk = 0.0028409 k( 174) = ( 0.0845633 0.1017090 0.1968988), wk = 0.0028409 k( 175) = ( 0.0761070 0.0915381 0.1968988), wk = 0.0028409 k( 176) = ( 0.0676507 0.0813672 0.1968988), wk = 0.0028409 k( 177) = ( 0.0591943 0.0711963 0.1968988), wk = 0.0028409 k( 178) = ( 0.0507380 0.0610254 0.1968988), wk = 0.0028409 k( 179) = ( 0.0422817 0.0508545 0.1968988), wk = 0.0028409 k( 180) = ( 0.0338253 0.0406836 0.1968988), wk = 0.0028409 k( 181) = ( 0.0253690 0.0305127 0.1968988), wk = 0.0028409 k( 182) = ( 0.0169127 0.0203418 0.1968988), wk = 0.0028409 k( 183) = ( 0.0084563 0.0101709 0.1968988), wk = 0.0028409 k( 184) = ( 0.0000000 0.0000000 0.1968988), wk = 0.0028409 k( 185) = ( 0.0000000 0.0000000 0.1968988), wk = 0.0028409 k( 186) = ( 0.0000000 0.0000000 0.1837722), wk = 0.0028409 k( 187) = ( 0.0000000 0.0000000 0.1706456), wk = 0.0028409 k( 188) = ( 0.0000000 0.0000000 0.1575190), wk = 0.0028409 k( 189) = ( 0.0000000 0.0000000 0.1443924), wk = 0.0028409 k( 190) = ( 0.0000000 0.0000000 0.1312659), wk = 0.0028409 k( 191) = ( 0.0000000 0.0000000 0.1181393), wk = 0.0028409 k( 192) = ( 0.0000000 0.0000000 0.1050127), wk = 0.0028409 k( 193) = ( 0.0000000 0.0000000 0.0918861), wk = 0.0028409 k( 194) = ( 0.0000000 0.0000000 0.0787595), wk = 0.0028409 k( 195) = ( 0.0000000 0.0000000 0.0656329), wk = 0.0028409 k( 196) = ( 0.0000000 0.0000000 0.0525063), wk = 0.0028409 k( 197) = ( 0.0000000 0.0000000 0.0393798), wk = 0.0028409 k( 198) = ( 0.0000000 0.0000000 0.0262532), wk = 0.0028409 k( 199) = ( 0.0000000 0.0000000 0.0131266), wk = 0.0028409 k( 200) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 201) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 202) = ( -0.0102041 0.0084839 0.0000000), wk = 0.0028409 k( 203) = ( -0.0204082 0.0169678 0.0000000), wk = 0.0028409 k( 204) = ( -0.0306122 0.0254518 0.0000000), wk = 0.0028409 k( 205) = ( -0.0408163 0.0339357 0.0000000), wk = 0.0028409 k( 206) = ( -0.0510204 0.0424196 0.0000000), wk = 0.0028409 k( 207) = ( -0.0612245 0.0509035 0.0000000), wk = 0.0028409 k( 208) = ( -0.0714286 0.0593875 0.0000000), wk = 0.0028409 k( 209) = ( -0.0816327 0.0678714 0.0000000), wk = 0.0028409 k( 210) = ( -0.0918367 0.0763553 0.0000000), wk = 0.0028409 k( 211) = ( -0.1020408 0.0848393 0.0000000), wk = 0.0028409 k( 212) = ( -0.1122449 0.0933232 0.0000000), wk = 0.0028409 k( 213) = ( -0.1224490 0.1018071 0.0000000), wk = 0.0028409 k( 214) = ( -0.1326531 0.1102910 0.0000000), wk = 0.0028409 k( 215) = ( -0.1428571 0.1187749 0.0000000), wk = 0.0028409 k( 216) = ( -0.1530612 0.1272589 0.0000000), wk = 0.0028409 k( 217) = ( -0.1632653 0.1357428 0.0000000), wk = 0.0028409 k( 218) = ( -0.1734694 0.1442267 0.0000000), wk = 0.0028409 k( 219) = ( -0.1836735 0.1527106 0.0000000), wk = 0.0028409 k( 220) = ( -0.1938776 0.1611946 0.0000000), wk = 0.0028409 k( 221) = ( -0.2040816 0.1696785 0.0000000), wk = 0.0028409 k( 222) = ( -0.2142857 0.1781624 0.0000000), wk = 0.0028409 k( 223) = ( -0.2244898 0.1866463 0.0000000), wk = 0.0028409 k( 224) = ( -0.2346939 0.1951303 0.0000000), wk = 0.0028409 k( 225) = ( -0.2448980 0.2036142 0.0000000), wk = 0.0028409 k( 226) = ( -0.2551020 0.2120981 0.0000000), wk = 0.0028409 k( 227) = ( -0.2653061 0.2205820 0.0000000), wk = 0.0028409 k( 228) = ( -0.2755102 0.2290660 0.0000000), wk = 0.0028409 k( 229) = ( -0.2857143 0.2375499 0.0000000), wk = 0.0028409 k( 230) = ( -0.2959184 0.2460338 0.0000000), wk = 0.0028409 k( 231) = ( -0.3061224 0.2545177 0.0000000), wk = 0.0028409 k( 232) = ( -0.3163265 0.2630017 0.0000000), wk = 0.0028409 k( 233) = ( -0.3265306 0.2714856 0.0000000), wk = 0.0028409 k( 234) = ( -0.3367347 0.2799695 0.0000000), wk = 0.0028409 k( 235) = ( -0.3469388 0.2884534 0.0000000), wk = 0.0028409 k( 236) = ( -0.3571429 0.2969374 0.0000000), wk = 0.0028409 k( 237) = ( -0.3673469 0.3054213 0.0000000), wk = 0.0028409 k( 238) = ( -0.3775510 0.3139052 0.0000000), wk = 0.0028409 k( 239) = ( -0.3877551 0.3223891 0.0000000), wk = 0.0028409 k( 240) = ( -0.3979592 0.3308731 0.0000000), wk = 0.0028409 k( 241) = ( -0.4081633 0.3393570 0.0000000), wk = 0.0028409 k( 242) = ( -0.4183674 0.3478409 0.0000000), wk = 0.0028409 k( 243) = ( -0.4285714 0.3563248 0.0000000), wk = 0.0028409 k( 244) = ( -0.4387755 0.3648088 0.0000000), wk = 0.0028409 k( 245) = ( -0.4489796 0.3732927 0.0000000), wk = 0.0028409 k( 246) = ( -0.4591837 0.3817766 0.0000000), wk = 0.0028409 k( 247) = ( -0.4693878 0.3902605 0.0000000), wk = 0.0028409 k( 248) = ( -0.4795918 0.3987445 0.0000000), wk = 0.0028409 k( 249) = ( -0.4897959 0.4072284 0.0000000), wk = 0.0028409 k( 250) = ( -0.5000000 0.4157123 0.0000000), wk = 0.0028409 k( 251) = ( -0.5000000 0.4157123 0.0000000), wk = 0.0028409 k( 252) = ( -0.4914241 0.4260270 -0.0000000), wk = 0.0028409 k( 253) = ( -0.4828482 0.4363418 -0.0000000), wk = 0.0028409 k( 254) = ( -0.4742722 0.4466565 -0.0000000), wk = 0.0028409 k( 255) = ( -0.4656963 0.4569712 -0.0000000), wk = 0.0028409 k( 256) = ( -0.4571204 0.4672860 -0.0000000), wk = 0.0028409 k( 257) = ( -0.4485445 0.4776007 -0.0000000), wk = 0.0028409 k( 258) = ( -0.4399686 0.4879154 -0.0000000), wk = 0.0028409 k( 259) = ( -0.4313926 0.4982301 -0.0000000), wk = 0.0028409 k( 260) = ( -0.4228167 0.5085449 -0.0000000), wk = 0.0028409 k( 261) = ( -0.4228167 0.5085449 -0.0000000), wk = 0.0028409 k( 262) = ( -0.4228167 0.5085449 0.0131266), wk = 0.0028409 k( 263) = ( -0.4228167 0.5085449 0.0262532), wk = 0.0028409 k( 264) = ( -0.4228167 0.5085449 0.0393798), wk = 0.0028409 k( 265) = ( -0.4228167 0.5085449 0.0525063), wk = 0.0028409 k( 266) = ( -0.4228167 0.5085449 0.0656329), wk = 0.0028409 k( 267) = ( -0.4228167 0.5085449 0.0787595), wk = 0.0028409 k( 268) = ( -0.4228167 0.5085449 0.0918861), wk = 0.0028409 k( 269) = ( -0.4228167 0.5085449 0.1050127), wk = 0.0028409 k( 270) = ( -0.4228167 0.5085449 0.1181393), wk = 0.0028409 k( 271) = ( -0.4228167 0.5085449 0.1312659), wk = 0.0028409 k( 272) = ( -0.4228167 0.5085449 0.1443924), wk = 0.0028409 k( 273) = ( -0.4228167 0.5085449 0.1575190), wk = 0.0028409 k( 274) = ( -0.4228167 0.5085449 0.1706456), wk = 0.0028409 k( 275) = ( -0.4228167 0.5085449 0.1837722), wk = 0.0028409 k( 276) = ( -0.4228167 0.5085449 0.1968988), wk = 0.0028409 k( 277) = ( -0.4228167 0.5085449 0.1968988), wk = 0.0028409 k( 278) = ( -0.4313926 0.4982301 0.1968988), wk = 0.0028409 k( 279) = ( -0.4399686 0.4879154 0.1968988), wk = 0.0028409 k( 280) = ( -0.4485445 0.4776007 0.1968988), wk = 0.0028409 k( 281) = ( -0.4571204 0.4672860 0.1968988), wk = 0.0028409 k( 282) = ( -0.4656963 0.4569712 0.1968988), wk = 0.0028409 k( 283) = ( -0.4742722 0.4466565 0.1968988), wk = 0.0028409 k( 284) = ( -0.4828482 0.4363418 0.1968988), wk = 0.0028409 k( 285) = ( -0.4914241 0.4260270 0.1968988), wk = 0.0028409 k( 286) = ( -0.5000000 0.4157123 0.1968988), wk = 0.0028409 k( 287) = ( -0.5000000 0.4157123 0.1968988), wk = 0.0028409 k( 288) = ( -0.5000000 0.4157123 0.1837722), wk = 0.0028409 k( 289) = ( -0.5000000 0.4157123 0.1706456), wk = 0.0028409 k( 290) = ( -0.5000000 0.4157123 0.1575190), wk = 0.0028409 k( 291) = ( -0.5000000 0.4157123 0.1443924), wk = 0.0028409 k( 292) = ( -0.5000000 0.4157123 0.1312659), wk = 0.0028409 k( 293) = ( -0.5000000 0.4157123 0.1181393), wk = 0.0028409 k( 294) = ( -0.5000000 0.4157123 0.1050127), wk = 0.0028409 k( 295) = ( -0.5000000 0.4157123 0.0918861), wk = 0.0028409 k( 296) = ( -0.5000000 0.4157123 0.0787595), wk = 0.0028409 k( 297) = ( -0.5000000 0.4157123 0.0656329), wk = 0.0028409 k( 298) = ( -0.5000000 0.4157123 0.0525063), wk = 0.0028409 k( 299) = ( -0.5000000 0.4157123 0.0393798), wk = 0.0028409 k( 300) = ( -0.5000000 0.4157123 0.0262532), wk = 0.0028409 k( 301) = ( -0.5000000 0.4157123 0.0131266), wk = 0.0028409 k( 302) = ( -0.5000000 0.4157123 0.0000000), wk = 0.0028409 k( 303) = ( 0.0000000 0.0000000 0.1968988), wk = 0.0028409 k( 304) = ( -0.0102041 0.0084839 0.1968988), wk = 0.0028409 k( 305) = ( -0.0204082 0.0169678 0.1968988), wk = 0.0028409 k( 306) = ( -0.0306122 0.0254518 0.1968988), wk = 0.0028409 k( 307) = ( -0.0408163 0.0339357 0.1968988), wk = 0.0028409 k( 308) = ( -0.0510204 0.0424196 0.1968988), wk = 0.0028409 k( 309) = ( -0.0612245 0.0509035 0.1968988), wk = 0.0028409 k( 310) = ( -0.0714286 0.0593875 0.1968988), wk = 0.0028409 k( 311) = ( -0.0816327 0.0678714 0.1968988), wk = 0.0028409 k( 312) = ( -0.0918367 0.0763553 0.1968988), wk = 0.0028409 k( 313) = ( -0.1020408 0.0848393 0.1968988), wk = 0.0028409 k( 314) = ( -0.1122449 0.0933232 0.1968988), wk = 0.0028409 k( 315) = ( -0.1224490 0.1018071 0.1968988), wk = 0.0028409 k( 316) = ( -0.1326531 0.1102910 0.1968988), wk = 0.0028409 k( 317) = ( -0.1428571 0.1187749 0.1968988), wk = 0.0028409 k( 318) = ( -0.1530612 0.1272589 0.1968988), wk = 0.0028409 k( 319) = ( -0.1632653 0.1357428 0.1968988), wk = 0.0028409 k( 320) = ( -0.1734694 0.1442267 0.1968988), wk = 0.0028409 k( 321) = ( -0.1836735 0.1527106 0.1968988), wk = 0.0028409 k( 322) = ( -0.1938776 0.1611946 0.1968988), wk = 0.0028409 k( 323) = ( -0.2040816 0.1696785 0.1968988), wk = 0.0028409 k( 324) = ( -0.2142857 0.1781624 0.1968988), wk = 0.0028409 k( 325) = ( -0.2244898 0.1866463 0.1968988), wk = 0.0028409 k( 326) = ( -0.2346939 0.1951303 0.1968988), wk = 0.0028409 k( 327) = ( -0.2448980 0.2036142 0.1968988), wk = 0.0028409 k( 328) = ( -0.2551020 0.2120981 0.1968988), wk = 0.0028409 k( 329) = ( -0.2653061 0.2205820 0.1968988), wk = 0.0028409 k( 330) = ( -0.2755102 0.2290660 0.1968988), wk = 0.0028409 k( 331) = ( -0.2857143 0.2375499 0.1968988), wk = 0.0028409 k( 332) = ( -0.2959184 0.2460338 0.1968988), wk = 0.0028409 k( 333) = ( -0.3061224 0.2545177 0.1968988), wk = 0.0028409 k( 334) = ( -0.3163265 0.2630017 0.1968988), wk = 0.0028409 k( 335) = ( -0.3265306 0.2714856 0.1968988), wk = 0.0028409 k( 336) = ( -0.3367347 0.2799695 0.1968988), wk = 0.0028409 k( 337) = ( -0.3469388 0.2884534 0.1968988), wk = 0.0028409 k( 338) = ( -0.3571429 0.2969374 0.1968988), wk = 0.0028409 k( 339) = ( -0.3673469 0.3054213 0.1968988), wk = 0.0028409 k( 340) = ( -0.3775510 0.3139052 0.1968988), wk = 0.0028409 k( 341) = ( -0.3877551 0.3223891 0.1968988), wk = 0.0028409 k( 342) = ( -0.3979592 0.3308731 0.1968988), wk = 0.0028409 k( 343) = ( -0.4081633 0.3393570 0.1968988), wk = 0.0028409 k( 344) = ( -0.4183674 0.3478409 0.1968988), wk = 0.0028409 k( 345) = ( -0.4285714 0.3563248 0.1968988), wk = 0.0028409 k( 346) = ( -0.4387755 0.3648088 0.1968988), wk = 0.0028409 k( 347) = ( -0.4489796 0.3732927 0.1968988), wk = 0.0028409 k( 348) = ( -0.4591837 0.3817766 0.1968988), wk = 0.0028409 k( 349) = ( -0.4693878 0.3902605 0.1968988), wk = 0.0028409 k( 350) = ( -0.4795918 0.3987445 0.1968988), wk = 0.0028409 k( 351) = ( -0.4897959 0.4072284 0.1968988), wk = 0.0028409 k( 352) = ( -0.5000000 0.4157123 0.1968988), wk = 0.0028409 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 2) = ( 0.0084563 0.0084563 -0.0000000), wk = 0.0028409 k( 3) = ( 0.0169127 0.0169127 -0.0000000), wk = 0.0028409 k( 4) = ( 0.0253690 0.0253690 0.0000000), wk = 0.0028409 k( 5) = ( 0.0338253 0.0338253 -0.0000000), wk = 0.0028409 k( 6) = ( 0.0422817 0.0422817 -0.0000000), wk = 0.0028409 k( 7) = ( 0.0507380 0.0507380 -0.0000000), wk = 0.0028409 k( 8) = ( 0.0591943 0.0591943 0.0000000), wk = 0.0028409 k( 9) = ( 0.0676507 0.0676507 -0.0000000), wk = 0.0028409 k( 10) = ( 0.0761070 0.0761070 -0.0000000), wk = 0.0028409 k( 11) = ( 0.0845633 0.0845633 -0.0000000), wk = 0.0028409 k( 12) = ( 0.0930197 0.0930197 0.0000000), wk = 0.0028409 k( 13) = ( 0.1014760 0.1014760 -0.0000000), wk = 0.0028409 k( 14) = ( 0.1099323 0.1099323 -0.0000000), wk = 0.0028409 k( 15) = ( 0.1183887 0.1183887 0.0000000), wk = 0.0028409 k( 16) = ( 0.1268450 0.1268450 -0.0000000), wk = 0.0028409 k( 17) = ( 0.1353013 0.1353013 -0.0000000), wk = 0.0028409 k( 18) = ( 0.1437577 0.1437577 -0.0000000), wk = 0.0028409 k( 19) = ( 0.1522140 0.1522140 -0.0000000), wk = 0.0028409 k( 20) = ( 0.1606704 0.1606704 -0.0000000), wk = 0.0028409 k( 21) = ( 0.1691267 0.1691267 0.0000000), wk = 0.0028409 k( 22) = ( 0.1775830 0.1775830 0.0000000), wk = 0.0028409 k( 23) = ( 0.1860394 0.1860394 0.0000000), wk = 0.0028409 k( 24) = ( 0.1944957 0.1944957 -0.0000000), wk = 0.0028409 k( 25) = ( 0.2029520 0.2029520 -0.0000000), wk = 0.0028409 k( 26) = ( 0.2114084 0.2114084 0.0000000), wk = 0.0028409 k( 27) = ( 0.2198647 0.2198647 -0.0000000), wk = 0.0028409 k( 28) = ( 0.2283210 0.2283210 0.0000000), wk = 0.0028409 k( 29) = ( 0.2367774 0.2367774 -0.0000000), wk = 0.0028409 k( 30) = ( 0.2452337 0.2452337 0.0000000), wk = 0.0028409 k( 31) = ( 0.2536900 0.2536900 -0.0000000), wk = 0.0028409 k( 32) = ( 0.2621464 0.2621464 0.0000000), wk = 0.0028409 k( 33) = ( 0.2706027 0.2706027 -0.0000000), wk = 0.0028409 k( 34) = ( 0.2790590 0.2790590 -0.0000000), wk = 0.0028409 k( 35) = ( 0.2875154 0.2875154 0.0000000), wk = 0.0028409 k( 36) = ( 0.2959717 0.2959717 -0.0000000), wk = 0.0028409 k( 37) = ( 0.3044280 0.3044280 -0.0000000), wk = 0.0028409 k( 38) = ( 0.3128844 0.3128844 -0.0000000), wk = 0.0028409 k( 39) = ( 0.3213407 0.3213407 0.0000000), wk = 0.0028409 k( 40) = ( 0.3297970 0.3297970 -0.0000000), wk = 0.0028409 k( 41) = ( 0.3382534 0.3382534 0.0000000), wk = 0.0028409 k( 42) = ( 0.3467097 0.3467097 -0.0000000), wk = 0.0028409 k( 43) = ( 0.3551661 0.3551661 0.0000000), wk = 0.0028409 k( 44) = ( 0.3636224 0.3636224 0.0000000), wk = 0.0028409 k( 45) = ( 0.3720787 0.3720787 0.0000000), wk = 0.0028409 k( 46) = ( 0.3805350 0.3805350 0.0000000), wk = 0.0028409 k( 47) = ( 0.3889914 0.3889914 -0.0000000), wk = 0.0028409 k( 48) = ( 0.3974477 0.3974477 0.0000000), wk = 0.0028409 k( 49) = ( 0.4059041 0.4059041 -0.0000000), wk = 0.0028409 k( 50) = ( 0.4143604 0.4143604 0.0000000), wk = 0.0028409 k( 51) = ( 0.4228167 0.4228167 0.0000000), wk = 0.0028409 k( 52) = ( 0.4228167 0.4228167 0.0000000), wk = 0.0028409 k( 53) = ( 0.4096037 0.4252287 -0.0000000), wk = 0.0028409 k( 54) = ( 0.3963907 0.4276407 0.0000000), wk = 0.0028409 k( 55) = ( 0.3831777 0.4300527 0.0000000), wk = 0.0028409 k( 56) = ( 0.3699646 0.4324646 -0.0000000), wk = 0.0028409 k( 57) = ( 0.3567516 0.4348766 0.0000000), wk = 0.0028409 k( 58) = ( 0.3435386 0.4372886 -0.0000000), wk = 0.0028409 k( 59) = ( 0.3303256 0.4397006 -0.0000000), wk = 0.0028409 k( 60) = ( 0.3171125 0.4421125 -0.0000000), wk = 0.0028409 k( 61) = ( 0.3038995 0.4445245 -0.0000000), wk = 0.0028409 k( 62) = ( 0.2906865 0.4469365 -0.0000000), wk = 0.0028409 k( 63) = ( 0.2774735 0.4493485 0.0000000), wk = 0.0028409 k( 64) = ( 0.2642604 0.4517604 -0.0000000), wk = 0.0028409 k( 65) = ( 0.2510474 0.4541724 0.0000000), wk = 0.0028409 k( 66) = ( 0.2378344 0.4565844 -0.0000000), wk = 0.0028409 k( 67) = ( 0.2246214 0.4589964 0.0000000), wk = 0.0028409 k( 68) = ( 0.2114084 0.4614084 0.0000000), wk = 0.0028409 k( 69) = ( 0.1981953 0.4638203 0.0000000), wk = 0.0028409 k( 70) = ( 0.1849823 0.4662323 -0.0000000), wk = 0.0028409 k( 71) = ( 0.1717693 0.4686443 0.0000000), wk = 0.0028409 k( 72) = ( 0.1585563 0.4710563 0.0000000), wk = 0.0028409 k( 73) = ( 0.1453433 0.4734682 0.0000000), wk = 0.0028409 k( 74) = ( 0.1321302 0.4758802 0.0000000), wk = 0.0028409 k( 75) = ( 0.1189172 0.4782922 0.0000000), wk = 0.0028409 k( 76) = ( 0.1057042 0.4807042 0.0000000), wk = 0.0028409 k( 77) = ( 0.0924912 0.4831162 -0.0000000), wk = 0.0028409 k( 78) = ( 0.0792781 0.4855281 0.0000000), wk = 0.0028409 k( 79) = ( 0.0660651 0.4879401 -0.0000000), wk = 0.0028409 k( 80) = ( 0.0528521 0.4903521 0.0000000), wk = 0.0028409 k( 81) = ( 0.0396391 0.4927641 0.0000000), wk = 0.0028409 k( 82) = ( 0.0264260 0.4951760 -0.0000000), wk = 0.0028409 k( 83) = ( 0.0132130 0.4975880 0.0000000), wk = 0.0028409 k( 84) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028409 k( 85) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028409 k( 86) = ( 0.0000000 0.5000000 0.0333333), wk = 0.0028409 k( 87) = ( 0.0000000 0.5000000 0.0666667), wk = 0.0028409 k( 88) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0028409 k( 89) = ( 0.0000000 0.5000000 0.1333333), wk = 0.0028409 k( 90) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0028409 k( 91) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0028409 k( 92) = ( 0.0000000 0.5000000 0.2333333), wk = 0.0028409 k( 93) = ( 0.0000000 0.5000000 0.2666667), wk = 0.0028409 k( 94) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0028409 k( 95) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0028409 k( 96) = ( 0.0000000 0.5000000 0.3666667), wk = 0.0028409 k( 97) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0028409 k( 98) = ( 0.0000000 0.5000000 0.4333333), wk = 0.0028409 k( 99) = ( 0.0000000 0.5000000 0.4666667), wk = 0.0028409 k( 100) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028409 k( 101) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028409 k( 102) = ( 0.0132130 0.4975880 0.5000000), wk = 0.0028409 k( 103) = ( 0.0264260 0.4951760 0.5000000), wk = 0.0028409 k( 104) = ( 0.0396391 0.4927641 0.5000000), wk = 0.0028409 k( 105) = ( 0.0528521 0.4903521 0.5000000), wk = 0.0028409 k( 106) = ( 0.0660651 0.4879401 0.5000000), wk = 0.0028409 k( 107) = ( 0.0792781 0.4855281 0.5000000), wk = 0.0028409 k( 108) = ( 0.0924912 0.4831162 0.5000000), wk = 0.0028409 k( 109) = ( 0.1057042 0.4807042 0.5000000), wk = 0.0028409 k( 110) = ( 0.1189172 0.4782922 0.5000000), wk = 0.0028409 k( 111) = ( 0.1321302 0.4758802 0.5000000), wk = 0.0028409 k( 112) = ( 0.1453433 0.4734682 0.5000000), wk = 0.0028409 k( 113) = ( 0.1585563 0.4710563 0.5000000), wk = 0.0028409 k( 114) = ( 0.1717693 0.4686443 0.5000000), wk = 0.0028409 k( 115) = ( 0.1849823 0.4662323 0.5000000), wk = 0.0028409 k( 116) = ( 0.1981953 0.4638203 0.5000000), wk = 0.0028409 k( 117) = ( 0.2114084 0.4614084 0.5000000), wk = 0.0028409 k( 118) = ( 0.2246214 0.4589964 0.5000000), wk = 0.0028409 k( 119) = ( 0.2378344 0.4565844 0.5000000), wk = 0.0028409 k( 120) = ( 0.2510474 0.4541724 0.5000000), wk = 0.0028409 k( 121) = ( 0.2642604 0.4517604 0.5000000), wk = 0.0028409 k( 122) = ( 0.2774735 0.4493485 0.5000000), wk = 0.0028409 k( 123) = ( 0.2906865 0.4469365 0.5000000), wk = 0.0028409 k( 124) = ( 0.3038995 0.4445245 0.5000000), wk = 0.0028409 k( 125) = ( 0.3171125 0.4421125 0.5000000), wk = 0.0028409 k( 126) = ( 0.3303256 0.4397006 0.5000000), wk = 0.0028409 k( 127) = ( 0.3435386 0.4372886 0.5000000), wk = 0.0028409 k( 128) = ( 0.3567516 0.4348766 0.5000000), wk = 0.0028409 k( 129) = ( 0.3699646 0.4324646 0.5000000), wk = 0.0028409 k( 130) = ( 0.3831777 0.4300527 0.5000000), wk = 0.0028409 k( 131) = ( 0.3963907 0.4276407 0.5000000), wk = 0.0028409 k( 132) = ( 0.4096037 0.4252287 0.5000000), wk = 0.0028409 k( 133) = ( 0.4228167 0.4228167 0.5000000), wk = 0.0028409 k( 134) = ( 0.4228167 0.4228167 0.5000000), wk = 0.0028409 k( 135) = ( 0.4143604 0.4143604 0.5000000), wk = 0.0028409 k( 136) = ( 0.4059041 0.4059041 0.5000000), wk = 0.0028409 k( 137) = ( 0.3974477 0.3974477 0.5000000), wk = 0.0028409 k( 138) = ( 0.3889914 0.3889914 0.5000000), wk = 0.0028409 k( 139) = ( 0.3805350 0.3805350 0.5000000), wk = 0.0028409 k( 140) = ( 0.3720787 0.3720787 0.5000000), wk = 0.0028409 k( 141) = ( 0.3636224 0.3636224 0.5000000), wk = 0.0028409 k( 142) = ( 0.3551661 0.3551661 0.5000000), wk = 0.0028409 k( 143) = ( 0.3467097 0.3467097 0.5000000), wk = 0.0028409 k( 144) = ( 0.3382534 0.3382534 0.5000000), wk = 0.0028409 k( 145) = ( 0.3297970 0.3297970 0.5000000), wk = 0.0028409 k( 146) = ( 0.3213407 0.3213407 0.5000000), wk = 0.0028409 k( 147) = ( 0.3128844 0.3128844 0.5000000), wk = 0.0028409 k( 148) = ( 0.3044280 0.3044280 0.5000000), wk = 0.0028409 k( 149) = ( 0.2959717 0.2959717 0.5000000), wk = 0.0028409 k( 150) = ( 0.2875154 0.2875154 0.5000000), wk = 0.0028409 k( 151) = ( 0.2790590 0.2790590 0.5000000), wk = 0.0028409 k( 152) = ( 0.2706027 0.2706027 0.5000000), wk = 0.0028409 k( 153) = ( 0.2621464 0.2621464 0.5000000), wk = 0.0028409 k( 154) = ( 0.2536900 0.2536900 0.5000000), wk = 0.0028409 k( 155) = ( 0.2452337 0.2452337 0.5000000), wk = 0.0028409 k( 156) = ( 0.2367774 0.2367774 0.5000000), wk = 0.0028409 k( 157) = ( 0.2283210 0.2283210 0.5000000), wk = 0.0028409 k( 158) = ( 0.2198647 0.2198647 0.5000000), wk = 0.0028409 k( 159) = ( 0.2114084 0.2114084 0.5000000), wk = 0.0028409 k( 160) = ( 0.2029520 0.2029520 0.5000000), wk = 0.0028409 k( 161) = ( 0.1944957 0.1944957 0.5000000), wk = 0.0028409 k( 162) = ( 0.1860394 0.1860394 0.5000000), wk = 0.0028409 k( 163) = ( 0.1775830 0.1775830 0.5000000), wk = 0.0028409 k( 164) = ( 0.1691267 0.1691267 0.5000000), wk = 0.0028409 k( 165) = ( 0.1606704 0.1606704 0.5000000), wk = 0.0028409 k( 166) = ( 0.1522140 0.1522140 0.5000000), wk = 0.0028409 k( 167) = ( 0.1437577 0.1437577 0.5000000), wk = 0.0028409 k( 168) = ( 0.1353013 0.1353013 0.5000000), wk = 0.0028409 k( 169) = ( 0.1268450 0.1268450 0.5000000), wk = 0.0028409 k( 170) = ( 0.1183887 0.1183887 0.5000000), wk = 0.0028409 k( 171) = ( 0.1099323 0.1099323 0.5000000), wk = 0.0028409 k( 172) = ( 0.1014760 0.1014760 0.5000000), wk = 0.0028409 k( 173) = ( 0.0930197 0.0930197 0.5000000), wk = 0.0028409 k( 174) = ( 0.0845633 0.0845633 0.5000000), wk = 0.0028409 k( 175) = ( 0.0761070 0.0761070 0.5000000), wk = 0.0028409 k( 176) = ( 0.0676507 0.0676507 0.5000000), wk = 0.0028409 k( 177) = ( 0.0591943 0.0591943 0.5000000), wk = 0.0028409 k( 178) = ( 0.0507380 0.0507380 0.5000000), wk = 0.0028409 k( 179) = ( 0.0422817 0.0422817 0.5000000), wk = 0.0028409 k( 180) = ( 0.0338253 0.0338253 0.5000000), wk = 0.0028409 k( 181) = ( 0.0253690 0.0253690 0.5000000), wk = 0.0028409 k( 182) = ( 0.0169127 0.0169127 0.5000000), wk = 0.0028409 k( 183) = ( 0.0084563 0.0084563 0.5000000), wk = 0.0028409 k( 184) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028409 k( 185) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028409 k( 186) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0028409 k( 187) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0028409 k( 188) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0028409 k( 189) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0028409 k( 190) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0028409 k( 191) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0028409 k( 192) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0028409 k( 193) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0028409 k( 194) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0028409 k( 195) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0028409 k( 196) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0028409 k( 197) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0028409 k( 198) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0028409 k( 199) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0028409 k( 200) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 201) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 202) = ( -0.0102041 0.0102041 0.0000000), wk = 0.0028409 k( 203) = ( -0.0204082 0.0204082 0.0000000), wk = 0.0028409 k( 204) = ( -0.0306122 0.0306122 0.0000000), wk = 0.0028409 k( 205) = ( -0.0408163 0.0408163 0.0000000), wk = 0.0028409 k( 206) = ( -0.0510204 0.0510204 0.0000000), wk = 0.0028409 k( 207) = ( -0.0612245 0.0612245 0.0000000), wk = 0.0028409 k( 208) = ( -0.0714286 0.0714286 -0.0000000), wk = 0.0028409 k( 209) = ( -0.0816327 0.0816327 0.0000000), wk = 0.0028409 k( 210) = ( -0.0918367 0.0918367 -0.0000000), wk = 0.0028409 k( 211) = ( -0.1020408 0.1020408 0.0000000), wk = 0.0028409 k( 212) = ( -0.1122449 0.1122449 -0.0000000), wk = 0.0028409 k( 213) = ( -0.1224490 0.1224490 0.0000000), wk = 0.0028409 k( 214) = ( -0.1326531 0.1326531 0.0000000), wk = 0.0028409 k( 215) = ( -0.1428571 0.1428571 -0.0000000), wk = 0.0028409 k( 216) = ( -0.1530612 0.1530612 0.0000000), wk = 0.0028409 k( 217) = ( -0.1632653 0.1632653 0.0000000), wk = 0.0028409 k( 218) = ( -0.1734694 0.1734694 0.0000000), wk = 0.0028409 k( 219) = ( -0.1836735 0.1836735 0.0000000), wk = 0.0028409 k( 220) = ( -0.1938776 0.1938775 0.0000000), wk = 0.0028409 k( 221) = ( -0.2040816 0.2040816 0.0000000), wk = 0.0028409 k( 222) = ( -0.2142857 0.2142857 0.0000000), wk = 0.0028409 k( 223) = ( -0.2244898 0.2244898 -0.0000000), wk = 0.0028409 k( 224) = ( -0.2346939 0.2346939 0.0000000), wk = 0.0028409 k( 225) = ( -0.2448980 0.2448980 0.0000000), wk = 0.0028409 k( 226) = ( -0.2551020 0.2551020 0.0000000), wk = 0.0028409 k( 227) = ( -0.2653061 0.2653061 0.0000000), wk = 0.0028409 k( 228) = ( -0.2755102 0.2755102 -0.0000000), wk = 0.0028409 k( 229) = ( -0.2857143 0.2857143 0.0000000), wk = 0.0028409 k( 230) = ( -0.2959184 0.2959184 0.0000000), wk = 0.0028409 k( 231) = ( -0.3061224 0.3061224 0.0000000), wk = 0.0028409 k( 232) = ( -0.3163265 0.3163265 0.0000000), wk = 0.0028409 k( 233) = ( -0.3265306 0.3265306 0.0000000), wk = 0.0028409 k( 234) = ( -0.3367347 0.3367347 0.0000000), wk = 0.0028409 k( 235) = ( -0.3469388 0.3469388 0.0000000), wk = 0.0028409 k( 236) = ( -0.3571429 0.3571429 0.0000000), wk = 0.0028409 k( 237) = ( -0.3673469 0.3673469 0.0000000), wk = 0.0028409 k( 238) = ( -0.3775510 0.3775510 -0.0000000), wk = 0.0028409 k( 239) = ( -0.3877551 0.3877551 0.0000000), wk = 0.0028409 k( 240) = ( -0.3979592 0.3979592 0.0000000), wk = 0.0028409 k( 241) = ( -0.4081633 0.4081633 0.0000000), wk = 0.0028409 k( 242) = ( -0.4183674 0.4183673 0.0000000), wk = 0.0028409 k( 243) = ( -0.4285714 0.4285714 0.0000000), wk = 0.0028409 k( 244) = ( -0.4387755 0.4387755 0.0000000), wk = 0.0028409 k( 245) = ( -0.4489796 0.4489796 0.0000000), wk = 0.0028409 k( 246) = ( -0.4591837 0.4591837 0.0000000), wk = 0.0028409 k( 247) = ( -0.4693878 0.4693878 0.0000000), wk = 0.0028409 k( 248) = ( -0.4795918 0.4795918 -0.0000000), wk = 0.0028409 k( 249) = ( -0.4897959 0.4897959 0.0000000), wk = 0.0028409 k( 250) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0028409 k( 251) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0028409 k( 252) = ( -0.4914241 0.5085759 0.0000000), wk = 0.0028409 k( 253) = ( -0.4828482 0.5171518 0.0000000), wk = 0.0028409 k( 254) = ( -0.4742722 0.5257278 -0.0000000), wk = 0.0028409 k( 255) = ( -0.4656963 0.5343037 0.0000000), wk = 0.0028409 k( 256) = ( -0.4571204 0.5428796 0.0000000), wk = 0.0028409 k( 257) = ( -0.4485445 0.5514555 0.0000000), wk = 0.0028409 k( 258) = ( -0.4399686 0.5600314 0.0000000), wk = 0.0028409 k( 259) = ( -0.4313926 0.5686073 -0.0000000), wk = 0.0028409 k( 260) = ( -0.4228167 0.5771833 0.0000000), wk = 0.0028409 k( 261) = ( -0.4228167 0.5771833 0.0000000), wk = 0.0028409 k( 262) = ( -0.4228167 0.5771833 0.0333333), wk = 0.0028409 k( 263) = ( -0.4228167 0.5771833 0.0666667), wk = 0.0028409 k( 264) = ( -0.4228167 0.5771833 0.1000000), wk = 0.0028409 k( 265) = ( -0.4228167 0.5771833 0.1333333), wk = 0.0028409 k( 266) = ( -0.4228167 0.5771833 0.1666667), wk = 0.0028409 k( 267) = ( -0.4228167 0.5771833 0.2000000), wk = 0.0028409 k( 268) = ( -0.4228167 0.5771833 0.2333333), wk = 0.0028409 k( 269) = ( -0.4228167 0.5771833 0.2666667), wk = 0.0028409 k( 270) = ( -0.4228167 0.5771833 0.3000000), wk = 0.0028409 k( 271) = ( -0.4228167 0.5771833 0.3333333), wk = 0.0028409 k( 272) = ( -0.4228167 0.5771833 0.3666667), wk = 0.0028409 k( 273) = ( -0.4228167 0.5771833 0.4000000), wk = 0.0028409 k( 274) = ( -0.4228167 0.5771833 0.4333333), wk = 0.0028409 k( 275) = ( -0.4228167 0.5771833 0.4666667), wk = 0.0028409 k( 276) = ( -0.4228167 0.5771833 0.5000000), wk = 0.0028409 k( 277) = ( -0.4228167 0.5771833 0.5000000), wk = 0.0028409 k( 278) = ( -0.4313926 0.5686073 0.5000000), wk = 0.0028409 k( 279) = ( -0.4399686 0.5600314 0.5000000), wk = 0.0028409 k( 280) = ( -0.4485445 0.5514555 0.5000000), wk = 0.0028409 k( 281) = ( -0.4571204 0.5428796 0.5000000), wk = 0.0028409 k( 282) = ( -0.4656963 0.5343037 0.5000000), wk = 0.0028409 k( 283) = ( -0.4742722 0.5257278 0.5000000), wk = 0.0028409 k( 284) = ( -0.4828482 0.5171518 0.5000000), wk = 0.0028409 k( 285) = ( -0.4914241 0.5085759 0.5000000), wk = 0.0028409 k( 286) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028409 k( 287) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028409 k( 288) = ( -0.5000000 0.5000000 0.4666667), wk = 0.0028409 k( 289) = ( -0.5000000 0.5000000 0.4333333), wk = 0.0028409 k( 290) = ( -0.5000000 0.5000000 0.4000000), wk = 0.0028409 k( 291) = ( -0.5000000 0.5000000 0.3666667), wk = 0.0028409 k( 292) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0028409 k( 293) = ( -0.5000000 0.5000000 0.3000000), wk = 0.0028409 k( 294) = ( -0.5000000 0.5000000 0.2666667), wk = 0.0028409 k( 295) = ( -0.5000000 0.5000000 0.2333333), wk = 0.0028409 k( 296) = ( -0.5000000 0.5000000 0.2000000), wk = 0.0028409 k( 297) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0028409 k( 298) = ( -0.5000000 0.5000000 0.1333333), wk = 0.0028409 k( 299) = ( -0.5000000 0.5000000 0.1000000), wk = 0.0028409 k( 300) = ( -0.5000000 0.5000000 0.0666667), wk = 0.0028409 k( 301) = ( -0.5000000 0.5000000 0.0333333), wk = 0.0028409 k( 302) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0028409 k( 303) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028409 k( 304) = ( -0.0102041 0.0102041 0.5000000), wk = 0.0028409 k( 305) = ( -0.0204082 0.0204082 0.5000000), wk = 0.0028409 k( 306) = ( -0.0306122 0.0306122 0.5000000), wk = 0.0028409 k( 307) = ( -0.0408163 0.0408163 0.5000000), wk = 0.0028409 k( 308) = ( -0.0510204 0.0510204 0.5000000), wk = 0.0028409 k( 309) = ( -0.0612245 0.0612245 0.5000000), wk = 0.0028409 k( 310) = ( -0.0714286 0.0714286 0.5000000), wk = 0.0028409 k( 311) = ( -0.0816327 0.0816327 0.5000000), wk = 0.0028409 k( 312) = ( -0.0918367 0.0918367 0.5000000), wk = 0.0028409 k( 313) = ( -0.1020408 0.1020408 0.5000000), wk = 0.0028409 k( 314) = ( -0.1122449 0.1122449 0.5000000), wk = 0.0028409 k( 315) = ( -0.1224490 0.1224490 0.5000000), wk = 0.0028409 k( 316) = ( -0.1326531 0.1326531 0.5000000), wk = 0.0028409 k( 317) = ( -0.1428571 0.1428571 0.5000000), wk = 0.0028409 k( 318) = ( -0.1530612 0.1530612 0.5000000), wk = 0.0028409 k( 319) = ( -0.1632653 0.1632653 0.5000000), wk = 0.0028409 k( 320) = ( -0.1734694 0.1734694 0.5000000), wk = 0.0028409 k( 321) = ( -0.1836735 0.1836735 0.5000000), wk = 0.0028409 k( 322) = ( -0.1938776 0.1938775 0.5000000), wk = 0.0028409 k( 323) = ( -0.2040816 0.2040816 0.5000000), wk = 0.0028409 k( 324) = ( -0.2142857 0.2142857 0.5000000), wk = 0.0028409 k( 325) = ( -0.2244898 0.2244898 0.5000000), wk = 0.0028409 k( 326) = ( -0.2346939 0.2346939 0.5000000), wk = 0.0028409 k( 327) = ( -0.2448980 0.2448980 0.5000000), wk = 0.0028409 k( 328) = ( -0.2551020 0.2551020 0.5000000), wk = 0.0028409 k( 329) = ( -0.2653061 0.2653061 0.5000000), wk = 0.0028409 k( 330) = ( -0.2755102 0.2755102 0.5000000), wk = 0.0028409 k( 331) = ( -0.2857143 0.2857143 0.5000000), wk = 0.0028409 k( 332) = ( -0.2959184 0.2959184 0.5000000), wk = 0.0028409 k( 333) = ( -0.3061224 0.3061224 0.5000000), wk = 0.0028409 k( 334) = ( -0.3163265 0.3163265 0.5000000), wk = 0.0028409 k( 335) = ( -0.3265306 0.3265306 0.5000000), wk = 0.0028409 k( 336) = ( -0.3367347 0.3367347 0.5000000), wk = 0.0028409 k( 337) = ( -0.3469388 0.3469388 0.5000000), wk = 0.0028409 k( 338) = ( -0.3571429 0.3571429 0.5000000), wk = 0.0028409 k( 339) = ( -0.3673469 0.3673469 0.5000000), wk = 0.0028409 k( 340) = ( -0.3775510 0.3775510 0.5000000), wk = 0.0028409 k( 341) = ( -0.3877551 0.3877551 0.5000000), wk = 0.0028409 k( 342) = ( -0.3979592 0.3979592 0.5000000), wk = 0.0028409 k( 343) = ( -0.4081633 0.4081633 0.5000000), wk = 0.0028409 k( 344) = ( -0.4183674 0.4183673 0.5000000), wk = 0.0028409 k( 345) = ( -0.4285714 0.4285714 0.5000000), wk = 0.0028409 k( 346) = ( -0.4387755 0.4387755 0.5000000), wk = 0.0028409 k( 347) = ( -0.4489796 0.4489796 0.5000000), wk = 0.0028409 k( 348) = ( -0.4591837 0.4591837 0.5000000), wk = 0.0028409 k( 349) = ( -0.4693878 0.4693878 0.5000000), wk = 0.0028409 k( 350) = ( -0.4795918 0.4795918 0.5000000), wk = 0.0028409 k( 351) = ( -0.4897959 0.4897959 0.5000000), wk = 0.0028409 k( 352) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028409 Dense grid: 127823 G-vectors FFT dimensions: ( 48, 48, 120) Smooth grid: 55753 G-vectors FFT dimensions: ( 36, 36, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.34 Mb ( 382, 58) NL pseudopotentials 0.40 Mb ( 191, 136) Each V/rho on FFT grid 0.14 Mb ( 9216) Each G-vector array 0.03 Mb ( 3552) G-vector shells 0.01 Mb ( 1799) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.35 Mb ( 382, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.24 Mb ( 136, 2, 58) Check: negative/imaginary core charge= -0.000007 0.000000 The potential is recalculated from file : ./H6C3O.save/charge-density.dat Starting wfc are 88 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 3.9 secs Computing kpt #: 3 total cpu time spent up to now is 4.5 secs Computing kpt #: 4 total cpu time spent up to now is 5.0 secs Computing kpt #: 5 total cpu time spent up to now is 5.5 secs Computing kpt #: 6 total cpu time spent up to now is 6.1 secs Computing kpt #: 7 total cpu time spent up to now is 6.7 secs Computing kpt #: 8 total cpu time spent up to now is 7.4 secs Computing kpt #: 9 total cpu time spent up to now is 8.1 secs Computing kpt #: 10 total cpu time spent up to now is 8.7 secs Computing kpt #: 11 total cpu time spent up to now is 9.2 secs Computing kpt #: 12 total cpu time spent up to now is 9.7 secs Computing kpt #: 13 total cpu time spent up to now is 10.3 secs Computing kpt #: 14 total cpu time spent up to now is 10.8 secs Computing kpt #: 15 total cpu time spent up to now is 11.4 secs Computing kpt #: 16 total cpu time spent up to now is 11.9 secs Computing kpt #: 17 total cpu time spent up to now is 12.5 secs Computing kpt #: 18 total cpu time spent up to now is 13.0 secs Computing kpt #: 19 total cpu time spent up to now is 13.6 secs Computing kpt #: 20 total cpu time spent up to now is 14.2 secs Computing kpt #: 21 total cpu time spent up to now is 14.7 secs Computing kpt #: 22 total cpu time spent up to now is 15.3 secs Computing kpt #: 23 total cpu time spent up to now is 15.9 secs Computing kpt #: 24 total cpu time spent up to now is 16.4 secs Computing kpt #: 25 total cpu time spent up to now is 17.0 secs Computing kpt #: 26 total cpu time spent up to now is 17.6 secs Computing kpt #: 27 total cpu time spent up to now is 18.2 secs Computing kpt #: 28 total cpu time spent up to now is 18.8 secs Computing kpt #: 29 total cpu time spent up to now is 19.4 secs Computing kpt #: 30 total cpu time spent up to now is 20.0 secs Computing kpt #: 31 total cpu time spent up to now is 20.6 secs Computing kpt #: 32 total cpu time spent up to now is 21.2 secs Computing kpt #: 33 total cpu time spent up to now is 21.8 secs Computing kpt #: 34 total cpu time spent up to now is 22.4 secs Computing kpt #: 35 total cpu time spent up to now is 23.0 secs Computing kpt #: 36 total cpu time spent up to now is 23.6 secs Computing kpt #: 37 total cpu time spent up to now is 24.3 secs Computing kpt #: 38 total cpu time spent up to now is 24.9 secs Computing kpt #: 39 total cpu time spent up to now is 25.5 secs Computing kpt #: 40 total cpu time spent up to now is 26.1 secs Computing kpt #: 41 total cpu time spent up to now is 26.9 secs Computing kpt #: 42 total cpu time spent up to now is 27.6 secs Computing kpt #: 43 total cpu time spent up to now is 28.3 secs Computing kpt #: 44 total cpu time spent up to now is 29.0 secs Computing kpt #: 45 total cpu time spent up to now is 29.7 secs Computing kpt #: 46 total cpu time spent up to now is 30.5 secs Computing kpt #: 47 total cpu time spent up to now is 31.3 secs Computing kpt #: 48 total cpu time spent up to now is 32.1 secs Computing kpt #: 49 total cpu time spent up to now is 33.1 secs Computing kpt #: 50 total cpu time spent up to now is 34.2 secs Computing kpt #: 51 total cpu time spent up to now is 35.2 secs Computing kpt #: 52 total cpu time spent up to now is 36.0 secs Computing kpt #: 53 total cpu time spent up to now is 37.0 secs Computing kpt #: 54 total cpu time spent up to now is 37.8 secs Computing kpt #: 55 total cpu time spent up to now is 38.7 secs Computing kpt #: 56 total cpu time spent up to now is 39.5 secs Computing kpt #: 57 total cpu time spent up to now is 40.3 secs Computing kpt #: 58 total cpu time spent up to now is 41.1 secs Computing kpt #: 59 total cpu time spent up to now is 41.9 secs Computing kpt #: 60 total cpu time spent up to now is 42.7 secs Computing kpt #: 61 total cpu time spent up to now is 43.5 secs Computing kpt #: 62 total cpu time spent up to now is 44.3 secs Computing kpt #: 63 total cpu time spent up to now is 45.0 secs Computing kpt #: 64 total cpu time spent up to now is 45.8 secs Computing kpt #: 65 total cpu time spent up to now is 46.5 secs Computing kpt #: 66 total cpu time spent up to now is 47.3 secs Computing kpt #: 67 total cpu time spent up to now is 48.1 secs Computing kpt #: 68 total cpu time spent up to now is 48.8 secs Computing kpt #: 69 total cpu time spent up to now is 49.6 secs Computing kpt #: 70 total cpu time spent up to now is 50.3 secs Computing kpt #: 71 total cpu time spent up to now is 51.1 secs Computing kpt #: 72 total cpu time spent up to now is 51.8 secs Computing kpt #: 73 total cpu time spent up to now is 52.6 secs Computing kpt #: 74 total cpu time spent up to now is 53.4 secs Computing kpt #: 75 total cpu time spent up to now is 54.2 secs Computing kpt #: 76 total cpu time spent up to now is 54.9 secs Computing kpt #: 77 total cpu time spent up to now is 55.6 secs Computing kpt #: 78 total cpu time spent up to now is 56.4 secs Computing kpt #: 79 total cpu time spent up to now is 57.1 secs Computing kpt #: 80 total cpu time spent up to now is 57.9 secs Computing kpt #: 81 total cpu time spent up to now is 58.6 secs Computing kpt #: 82 total cpu time spent up to now is 59.4 secs Computing kpt #: 83 total cpu time spent up to now is 60.1 secs Computing kpt #: 84 total cpu time spent up to now is 60.8 secs Computing kpt #: 85 total cpu time spent up to now is 61.6 secs Computing kpt #: 86 total cpu time spent up to now is 62.3 secs Computing kpt #: 87 total cpu time spent up to now is 63.1 secs Computing kpt #: 88 total cpu time spent up to now is 63.8 secs Computing kpt #: 89 total cpu time spent up to now is 64.5 secs Computing kpt #: 90 total cpu time spent up to now is 65.3 secs Computing kpt #: 91 total cpu time spent up to now is 66.0 secs Computing kpt #: 92 total cpu time spent up to now is 66.7 secs Computing kpt #: 93 total cpu time spent up to now is 67.5 secs Computing kpt #: 94 total cpu time spent up to now is 68.2 secs Computing kpt #: 95 total cpu time spent up to now is 68.9 secs Computing kpt #: 96 total cpu time spent up to now is 69.7 secs Computing kpt #: 97 total cpu time spent up to now is 70.4 secs Computing kpt #: 98 total cpu time spent up to now is 71.2 secs Computing kpt #: 99 total cpu time spent up to now is 72.0 secs Computing kpt #: 100 total cpu time spent up to now is 72.7 secs Computing kpt #: 101 total cpu time spent up to now is 73.4 secs Computing kpt #: 102 total cpu time spent up to now is 74.1 secs Computing kpt #: 103 total cpu time spent up to now is 74.9 secs Computing kpt #: 104 total cpu time spent up to now is 75.6 secs Computing kpt #: 105 total cpu time spent up to now is 76.3 secs Computing kpt #: 106 total cpu time spent up to now is 77.1 secs Computing kpt #: 107 total cpu time spent up to now is 77.8 secs Computing kpt #: 108 total cpu time spent up to now is 78.6 secs Computing kpt #: 109 total cpu time spent up to now is 79.4 secs Computing kpt #: 110 total cpu time spent up to now is 80.2 secs Computing kpt #: 111 total cpu time spent up to now is 80.9 secs Computing kpt #: 112 total cpu time spent up to now is 81.7 secs Computing kpt #: 113 total cpu time spent up to now is 82.4 secs Computing kpt #: 114 total cpu time spent up to now is 83.2 secs Computing kpt #: 115 total cpu time spent up to now is 84.0 secs Computing kpt #: 116 total cpu time spent up to now is 84.8 secs Computing kpt #: 117 total cpu time spent up to now is 85.6 secs Computing kpt #: 118 total cpu time spent up to now is 86.3 secs Computing kpt #: 119 total cpu time spent up to now is 87.1 secs Computing kpt #: 120 total cpu time spent up to now is 87.9 secs Computing kpt #: 121 total cpu time spent up to now is 88.7 secs Computing kpt #: 122 total cpu time spent up to now is 89.5 secs Computing kpt #: 123 total cpu time spent up to now is 90.3 secs Computing kpt #: 124 total cpu time spent up to now is 91.1 secs Computing kpt #: 125 total cpu time spent up to now is 91.9 secs Computing kpt #: 126 total cpu time spent up to now is 92.7 secs Computing kpt #: 127 total cpu time spent up to now is 93.5 secs Computing kpt #: 128 total cpu time spent up to now is 94.3 secs Computing kpt #: 129 total cpu time spent up to now is 95.0 secs Computing kpt #: 130 total cpu time spent up to now is 95.8 secs Computing kpt #: 131 total cpu time spent up to now is 96.5 secs Computing kpt #: 132 total cpu time spent up to now is 97.2 secs Computing kpt #: 133 total cpu time spent up to now is 98.0 secs Computing kpt #: 134 total cpu time spent up to now is 98.8 secs Computing kpt #: 135 total cpu time spent up to now is 99.5 secs Computing kpt #: 136 total cpu time spent up to now is 100.2 secs Computing kpt #: 137 total cpu time spent up to now is 100.9 secs Computing kpt #: 138 total cpu time spent up to now is 101.6 secs Computing kpt #: 139 total cpu time spent up to now is 102.4 secs Computing kpt #: 140 total cpu time spent up to now is 103.1 secs Computing kpt #: 141 total cpu time spent up to now is 103.8 secs Computing kpt #: 142 total cpu time spent up to now is 104.5 secs Computing kpt #: 143 total cpu time spent up to now is 105.1 secs Computing kpt #: 144 total cpu time spent up to now is 105.8 secs Computing kpt #: 145 total cpu time spent up to now is 106.4 secs Computing kpt #: 146 total cpu time spent up to now is 107.0 secs Computing kpt #: 147 total cpu time spent up to now is 107.7 secs Computing kpt #: 148 total cpu time spent up to now is 108.3 secs Computing kpt #: 149 total cpu time spent up to now is 108.9 secs Computing kpt #: 150 total cpu time spent up to now is 109.5 secs Computing kpt #: 151 total cpu time spent up to now is 110.1 secs Computing kpt #: 152 total cpu time spent up to now is 110.7 secs Computing kpt #: 153 total cpu time spent up to now is 111.3 secs Computing kpt #: 154 total cpu time spent up to now is 111.9 secs Computing kpt #: 155 total cpu time spent up to now is 112.5 secs Computing kpt #: 156 total cpu time spent up to now is 113.1 secs Computing kpt #: 157 total cpu time spent up to now is 113.7 secs Computing kpt #: 158 total cpu time spent up to now is 114.3 secs Computing kpt #: 159 total cpu time spent up to now is 114.9 secs Computing kpt #: 160 total cpu time spent up to now is 115.5 secs Computing kpt #: 161 total cpu time spent up to now is 116.0 secs Computing kpt #: 162 total cpu time spent up to now is 116.6 secs Computing kpt #: 163 total cpu time spent up to now is 117.2 secs Computing kpt #: 164 total cpu time spent up to now is 117.7 secs Computing kpt #: 165 total cpu time spent up to now is 118.3 secs Computing kpt #: 166 total cpu time spent up to now is 118.9 secs Computing kpt #: 167 total cpu time spent up to now is 119.4 secs Computing kpt #: 168 total cpu time spent up to now is 120.0 secs Computing kpt #: 169 total cpu time spent up to now is 120.6 secs Computing kpt #: 170 total cpu time spent up to now is 121.1 secs Computing kpt #: 171 total cpu time spent up to now is 121.7 secs Computing kpt #: 172 total cpu time spent up to now is 122.2 secs Computing kpt #: 173 total cpu time spent up to now is 122.8 secs Computing kpt #: 174 total cpu time spent up to now is 123.3 secs Computing kpt #: 175 total cpu time spent up to now is 123.8 secs Computing kpt #: 176 total cpu time spent up to now is 124.4 secs Computing kpt #: 177 total cpu time spent up to now is 124.9 secs Computing kpt #: 178 total cpu time spent up to now is 125.5 secs Computing kpt #: 179 total cpu time spent up to now is 126.0 secs Computing kpt #: 180 total cpu time spent up to now is 126.6 secs Computing kpt #: 181 total cpu time spent up to now is 127.1 secs Computing kpt #: 182 total cpu time spent up to now is 127.6 secs Computing kpt #: 183 total cpu time spent up to now is 128.2 secs Computing kpt #: 184 total cpu time spent up to now is 128.7 secs Computing kpt #: 185 total cpu time spent up to now is 129.3 secs Computing kpt #: 186 total cpu time spent up to now is 129.9 secs Computing kpt #: 187 total cpu time spent up to now is 130.5 secs Computing kpt #: 188 total cpu time spent up to now is 131.1 secs Computing kpt #: 189 total cpu time spent up to now is 131.7 secs Computing kpt #: 190 total cpu time spent up to now is 132.3 secs Computing kpt #: 191 total cpu time spent up to now is 132.8 secs Computing kpt #: 192 total cpu time spent up to now is 133.4 secs Computing kpt #: 193 total cpu time spent up to now is 133.9 secs Computing kpt #: 194 total cpu time spent up to now is 134.4 secs Computing kpt #: 195 total cpu time spent up to now is 135.0 secs Computing kpt #: 196 total cpu time spent up to now is 135.5 secs Computing kpt #: 197 total cpu time spent up to now is 136.0 secs Computing kpt #: 198 total cpu time spent up to now is 136.5 secs Computing kpt #: 199 total cpu time spent up to now is 137.1 secs Computing kpt #: 200 total cpu time spent up to now is 137.6 secs Computing kpt #: 201 total cpu time spent up to now is 138.1 secs Computing kpt #: 202 total cpu time spent up to now is 138.6 secs Computing kpt #: 203 total cpu time spent up to now is 139.2 secs Computing kpt #: 204 total cpu time spent up to now is 139.7 secs Computing kpt #: 205 total cpu time spent up to now is 140.2 secs Computing kpt #: 206 total cpu time spent up to now is 140.8 secs Computing kpt #: 207 total cpu time spent up to now is 141.3 secs Computing kpt #: 208 total cpu time spent up to now is 141.8 secs Computing kpt #: 209 total cpu time spent up to now is 142.3 secs Computing kpt #: 210 total cpu time spent up to now is 142.8 secs Computing kpt #: 211 total cpu time spent up to now is 143.4 secs Computing kpt #: 212 total cpu time spent up to now is 143.9 secs Computing kpt #: 213 total cpu time spent up to now is 144.5 secs Computing kpt #: 214 total cpu time spent up to now is 145.0 secs Computing kpt #: 215 total cpu time spent up to now is 145.6 secs Computing kpt #: 216 total cpu time spent up to now is 146.1 secs Computing kpt #: 217 total cpu time spent up to now is 146.7 secs Computing kpt #: 218 total cpu time spent up to now is 147.2 secs Computing kpt #: 219 total cpu time spent up to now is 147.8 secs Computing kpt #: 220 total cpu time spent up to now is 148.4 secs Computing kpt #: 221 total cpu time spent up to now is 149.0 secs Computing kpt #: 222 total cpu time spent up to now is 149.6 secs Computing kpt #: 223 total cpu time spent up to now is 150.2 secs Computing kpt #: 224 total cpu time spent up to now is 150.8 secs Computing kpt #: 225 total cpu time spent up to now is 151.4 secs Computing kpt #: 226 total cpu time spent up to now is 152.0 secs Computing kpt #: 227 total cpu time spent up to now is 152.7 secs Computing kpt #: 228 total cpu time spent up to now is 153.4 secs Computing kpt #: 229 total cpu time spent up to now is 154.1 secs Computing kpt #: 230 total cpu time spent up to now is 154.9 secs Computing kpt #: 231 total cpu time spent up to now is 155.6 secs Computing kpt #: 232 total cpu time spent up to now is 156.4 secs Computing kpt #: 233 total cpu time spent up to now is 157.2 secs Computing kpt #: 234 total cpu time spent up to now is 158.2 secs Computing kpt #: 235 total cpu time spent up to now is 159.0 secs Computing kpt #: 236 total cpu time spent up to now is 159.8 secs Computing kpt #: 237 total cpu time spent up to now is 160.6 secs Computing kpt #: 238 total cpu time spent up to now is 161.5 secs Computing kpt #: 239 total cpu time spent up to now is 162.3 secs Computing kpt #: 240 total cpu time spent up to now is 163.1 secs Computing kpt #: 241 total cpu time spent up to now is 163.9 secs Computing kpt #: 242 total cpu time spent up to now is 164.7 secs Computing kpt #: 243 total cpu time spent up to now is 165.5 secs Computing kpt #: 244 total cpu time spent up to now is 166.3 secs Computing kpt #: 245 total cpu time spent up to now is 167.0 secs Computing kpt #: 246 total cpu time spent up to now is 167.7 secs Computing kpt #: 247 total cpu time spent up to now is 168.5 secs Computing kpt #: 248 total cpu time spent up to now is 169.3 secs Computing kpt #: 249 total cpu time spent up to now is 170.0 secs Computing kpt #: 250 total cpu time spent up to now is 170.8 secs Computing kpt #: 251 total cpu time spent up to now is 171.6 secs Computing kpt #: 252 total cpu time spent up to now is 172.3 secs Computing kpt #: 253 total cpu time spent up to now is 173.0 secs Computing kpt #: 254 total cpu time spent up to now is 174.0 secs Computing kpt #: 255 total cpu time spent up to now is 174.7 secs Computing kpt #: 256 total cpu time spent up to now is 175.5 secs Computing kpt #: 257 total cpu time spent up to now is 176.2 secs Computing kpt #: 258 total cpu time spent up to now is 177.0 secs Computing kpt #: 259 total cpu time spent up to now is 177.9 secs Computing kpt #: 260 total cpu time spent up to now is 178.7 secs Computing kpt #: 261 total cpu time spent up to now is 179.5 secs Computing kpt #: 262 total cpu time spent up to now is 180.3 secs Computing kpt #: 263 total cpu time spent up to now is 181.0 secs Computing kpt #: 264 total cpu time spent up to now is 181.8 secs Computing kpt #: 265 total cpu time spent up to now is 182.6 secs Computing kpt #: 266 total cpu time spent up to now is 183.3 secs Computing kpt #: 267 total cpu time spent up to now is 184.1 secs Computing kpt #: 268 total cpu time spent up to now is 184.9 secs Computing kpt #: 269 total cpu time spent up to now is 185.6 secs Computing kpt #: 270 total cpu time spent up to now is 186.4 secs Computing kpt #: 271 total cpu time spent up to now is 187.1 secs Computing kpt #: 272 total cpu time spent up to now is 187.9 secs Computing kpt #: 273 total cpu time spent up to now is 188.6 secs Computing kpt #: 274 total cpu time spent up to now is 189.4 secs Computing kpt #: 275 total cpu time spent up to now is 190.4 secs Computing kpt #: 276 total cpu time spent up to now is 191.2 secs Computing kpt #: 277 total cpu time spent up to now is 191.9 secs Computing kpt #: 278 total cpu time spent up to now is 192.6 secs Computing kpt #: 279 total cpu time spent up to now is 193.4 secs Computing kpt #: 280 total cpu time spent up to now is 194.1 secs Computing kpt #: 281 total cpu time spent up to now is 194.8 secs Computing kpt #: 282 total cpu time spent up to now is 195.5 secs Computing kpt #: 283 total cpu time spent up to now is 196.3 secs Computing kpt #: 284 total cpu time spent up to now is 197.0 secs Computing kpt #: 285 total cpu time spent up to now is 197.7 secs Computing kpt #: 286 total cpu time spent up to now is 198.4 secs Computing kpt #: 287 total cpu time spent up to now is 199.2 secs Computing kpt #: 288 total cpu time spent up to now is 200.0 secs Computing kpt #: 289 total cpu time spent up to now is 200.8 secs Computing kpt #: 290 total cpu time spent up to now is 201.5 secs Computing kpt #: 291 total cpu time spent up to now is 202.2 secs Computing kpt #: 292 total cpu time spent up to now is 203.0 secs Computing kpt #: 293 total cpu time spent up to now is 203.7 secs Computing kpt #: 294 total cpu time spent up to now is 204.5 secs Computing kpt #: 295 total cpu time spent up to now is 205.2 secs Computing kpt #: 296 total cpu time spent up to now is 205.9 secs Computing kpt #: 297 total cpu time spent up to now is 206.7 secs Computing kpt #: 298 total cpu time spent up to now is 207.4 secs Computing kpt #: 299 total cpu time spent up to now is 208.1 secs Computing kpt #: 300 total cpu time spent up to now is 208.9 secs Computing kpt #: 301 total cpu time spent up to now is 209.7 secs Computing kpt #: 302 total cpu time spent up to now is 210.4 secs Computing kpt #: 303 total cpu time spent up to now is 211.0 secs Computing kpt #: 304 total cpu time spent up to now is 211.5 secs Computing kpt #: 305 total cpu time spent up to now is 212.1 secs Computing kpt #: 306 total cpu time spent up to now is 212.6 secs Computing kpt #: 307 total cpu time spent up to now is 213.2 secs Computing kpt #: 308 total cpu time spent up to now is 213.7 secs Computing kpt #: 309 total cpu time spent up to now is 214.3 secs Computing kpt #: 310 total cpu time spent up to now is 214.8 secs Computing kpt #: 311 total cpu time spent up to now is 215.4 secs Computing kpt #: 312 total cpu time spent up to now is 216.0 secs Computing kpt #: 313 total cpu time spent up to now is 216.5 secs Computing kpt #: 314 total cpu time spent up to now is 217.1 secs Computing kpt #: 315 total cpu time spent up to now is 217.7 secs Computing kpt #: 316 total cpu time spent up to now is 218.4 secs Computing kpt #: 317 total cpu time spent up to now is 219.1 secs Computing kpt #: 318 total cpu time spent up to now is 219.9 secs Computing kpt #: 319 total cpu time spent up to now is 220.6 secs Computing kpt #: 320 total cpu time spent up to now is 221.4 secs Computing kpt #: 321 total cpu time spent up to now is 222.1 secs Computing kpt #: 322 total cpu time spent up to now is 222.9 secs Computing kpt #: 323 total cpu time spent up to now is 223.7 secs Computing kpt #: 324 total cpu time spent up to now is 224.5 secs Computing kpt #: 325 total cpu time spent up to now is 225.2 secs Computing kpt #: 326 total cpu time spent up to now is 226.0 secs Computing kpt #: 327 total cpu time spent up to now is 226.7 secs Computing kpt #: 328 total cpu time spent up to now is 227.6 secs Computing kpt #: 329 total cpu time spent up to now is 228.4 secs Computing kpt #: 330 total cpu time spent up to now is 229.2 secs Computing kpt #: 331 total cpu time spent up to now is 230.1 secs Computing kpt #: 332 total cpu time spent up to now is 231.0 secs Computing kpt #: 333 total cpu time spent up to now is 231.8 secs Computing kpt #: 334 total cpu time spent up to now is 232.8 secs Computing kpt #: 335 total cpu time spent up to now is 234.3 secs Computing kpt #: 336 total cpu time spent up to now is 235.1 secs Computing kpt #: 337 total cpu time spent up to now is 236.2 secs Computing kpt #: 338 total cpu time spent up to now is 237.2 secs Computing kpt #: 339 total cpu time spent up to now is 238.1 secs Computing kpt #: 340 total cpu time spent up to now is 239.1 secs Computing kpt #: 341 total cpu time spent up to now is 240.0 secs Computing kpt #: 342 total cpu time spent up to now is 241.0 secs Computing kpt #: 343 total cpu time spent up to now is 241.8 secs Computing kpt #: 344 total cpu time spent up to now is 242.9 secs Computing kpt #: 345 total cpu time spent up to now is 243.9 secs Computing kpt #: 346 total cpu time spent up to now is 244.9 secs Computing kpt #: 347 total cpu time spent up to now is 245.8 secs Computing kpt #: 348 total cpu time spent up to now is 246.6 secs Computing kpt #: 349 total cpu time spent up to now is 247.3 secs Computing kpt #: 350 total cpu time spent up to now is 248.1 secs Computing kpt #: 351 total cpu time spent up to now is 248.8 secs Computing kpt #: 352 total cpu time spent up to now is 249.6 secs ethr = 2.08E-08, avg # of iterations = 24.1 total cpu time spent up to now is 249.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6971 PWs) bands (ev): -21.5203 -21.5203 -21.5176 -21.5176 -15.4490 -15.4490 -15.3435 -15.3435 -14.7172 -14.7172 -14.5341 -14.5341 -9.3840 -9.3840 -9.1324 -9.1324 -7.8098 -7.8098 -7.7999 -7.7999 -6.8732 -6.8732 -6.8625 -6.8625 -6.5976 -6.5976 -6.5751 -6.5751 -6.2950 -6.2950 -6.1436 -6.1436 -4.6054 -4.6054 -4.5263 -4.5263 -4.3445 -4.3445 -4.3390 -4.3390 -3.8700 -3.8700 -3.7167 -3.7167 -1.0205 -1.0205 -0.7523 -0.7523 3.0857 3.0857 3.1747 3.1747 4.2409 4.2409 5.3059 5.3059 5.5457 5.5457 k = 0.0085 0.0102-0.0000 ( 6969 PWs) bands (ev): -21.5203 -21.5203 -21.5176 -21.5176 -15.4490 -15.4490 -15.3436 -15.3436 -14.7171 -14.7171 -14.5341 -14.5341 -9.3839 -9.3839 -9.1325 -9.1325 -7.8106 -7.8106 -7.8001 -7.8001 -6.8739 -6.8739 -6.8621 -6.8621 -6.5969 -6.5969 -6.5743 -6.5743 -6.2954 -6.2954 -6.1437 -6.1437 -4.6062 -4.6062 -4.5258 -4.5258 -4.3443 -4.3443 -4.3388 -4.3388 -3.8708 -3.8708 -3.7179 -3.7179 -1.0197 -1.0197 -0.7520 -0.7520 3.0863 3.0863 3.1752 3.1752 4.2428 4.2428 5.3065 5.3065 5.5471 5.5471 k = 0.0169 0.0203-0.0000 ( 6967 PWs) bands (ev): -21.5202 -21.5202 -21.5175 -21.5175 -15.4491 -15.4491 -15.3439 -15.3439 -14.7166 -14.7166 -14.5341 -14.5341 -9.3835 -9.3835 -9.1329 -9.1329 -7.8127 -7.8127 -7.8007 -7.8007 -6.8759 -6.8759 -6.8613 -6.8613 -6.5948 -6.5948 -6.5720 -6.5720 -6.2965 -6.2965 -6.1439 -6.1439 -4.6086 -4.6086 -4.5243 -4.5243 -4.3440 -4.3440 -4.3381 -4.3381 -3.8733 -3.8733 -3.7215 -3.7215 -1.0172 -1.0172 -0.7510 -0.7510 3.0883 3.0883 3.1769 3.1769 4.2484 4.2484 5.3083 5.3083 5.5515 5.5515 k = 0.0254 0.0305-0.0000 ( 6971 PWs) bands (ev): -21.5200 -21.5200 -21.5173 -21.5173 -15.4492 -15.4492 -15.3444 -15.3444 -14.7157 -14.7157 -14.5341 -14.5341 -9.3830 -9.3830 -9.1336 -9.1336 -7.8160 -7.8160 -7.8019 -7.8019 -6.8787 -6.8787 -6.8605 -6.8605 -6.5913 -6.5913 -6.5683 -6.5683 -6.2983 -6.2983 -6.1444 -6.1444 -4.6123 -4.6123 -4.5220 -4.5220 -4.3433 -4.3433 -4.3369 -4.3369 -3.8776 -3.8776 -3.7274 -3.7274 -1.0132 -1.0132 -0.7493 -0.7493 3.0915 3.0915 3.1798 3.1798 4.2577 4.2577 5.3114 5.3114 5.5588 5.5588 k = 0.0338 0.0407-0.0000 ( 6971 PWs) bands (ev): -21.5197 -21.5197 -21.5170 -21.5170 -15.4494 -15.4494 -15.3451 -15.3451 -14.7146 -14.7146 -14.5340 -14.5340 -9.3822 -9.3822 -9.1345 -9.1345 -7.8203 -7.8203 -7.8037 -7.8037 -6.8823 -6.8823 -6.8597 -6.8597 -6.5865 -6.5865 -6.5630 -6.5630 -6.3009 -6.3009 -6.1451 -6.1451 -4.6172 -4.6172 -4.5190 -4.5190 -4.3423 -4.3423 -4.3353 -4.3353 -3.8834 -3.8834 -3.7357 -3.7357 -1.0076 -1.0076 -0.7470 -0.7470 3.0961 3.0961 3.1837 3.1837 4.2708 4.2708 5.3157 5.3157 5.5689 5.5689 k = 0.0423 0.0509-0.0000 ( 6975 PWs) bands (ev): -21.5194 -21.5194 -21.5167 -21.5167 -15.4495 -15.4495 -15.3460 -15.3460 -14.7131 -14.7131 -14.5340 -14.5340 -9.3813 -9.3813 -9.1356 -9.1356 -7.8257 -7.8257 -7.8063 -7.8063 -6.8863 -6.8863 -6.8593 -6.8593 -6.5803 -6.5803 -6.5564 -6.5564 -6.3040 -6.3040 -6.1459 -6.1459 -4.6230 -4.6230 -4.5158 -4.5158 -4.3410 -4.3410 -4.3333 -4.3333 -3.8909 -3.8909 -3.7463 -3.7463 -1.0005 -1.0005 -0.7441 -0.7441 3.1019 3.1019 3.1888 3.1888 4.2875 4.2875 5.3213 5.3213 5.5819 5.5819 k = 0.0507 0.0610-0.0000 ( 6963 PWs) bands (ev): -21.5190 -21.5190 -21.5163 -21.5163 -15.4498 -15.4498 -15.3470 -15.3470 -14.7113 -14.7113 -14.5339 -14.5339 -9.3801 -9.3801 -9.1370 -9.1370 -7.8320 -7.8320 -7.8096 -7.8096 -6.8907 -6.8907 -6.8592 -6.8592 -6.5728 -6.5728 -6.5484 -6.5484 -6.3078 -6.3078 -6.1470 -6.1470 -4.6295 -4.6295 -4.5122 -4.5122 -4.3394 -4.3394 -4.3309 -4.3309 -3.8999 -3.8999 -3.7591 -3.7591 -0.9919 -0.9919 -0.7405 -0.7405 3.1088 3.1088 3.1949 3.1949 4.3078 4.3078 5.3281 5.3281 5.5976 5.5976 k = 0.0592 0.0712-0.0000 ( 6965 PWs) bands (ev): -21.5185 -21.5185 -21.5159 -21.5159 -15.4500 -15.4500 -15.3482 -15.3482 -14.7092 -14.7092 -14.5338 -14.5338 -9.3787 -9.3787 -9.1387 -9.1387 -7.8392 -7.8392 -7.8138 -7.8138 -6.8956 -6.8956 -6.8594 -6.8594 -6.5640 -6.5640 -6.5391 -6.5391 -6.3122 -6.3122 -6.1484 -6.1484 -4.6366 -4.6366 -4.5087 -4.5087 -4.3375 -4.3375 -4.3280 -4.3280 -3.9103 -3.9103 -3.7739 -3.7739 -0.9820 -0.9820 -0.7365 -0.7365 3.1170 3.1170 3.2021 3.2021 4.3316 4.3316 5.3362 5.3362 5.6161 5.6161 k = 0.0677 0.0814-0.0000 ( 6965 PWs) bands (ev): -21.5179 -21.5179 -21.5153 -21.5153 -15.4503 -15.4503 -15.3496 -15.3496 -14.7068 -14.7068 -14.5337 -14.5337 -9.3771 -9.3771 -9.1406 -9.1406 -7.8472 -7.8472 -7.8188 -7.8188 -6.9009 -6.9009 -6.8600 -6.8600 -6.5540 -6.5540 -6.5286 -6.5286 -6.3171 -6.3171 -6.1500 -6.1500 -4.6441 -4.6441 -4.5051 -4.5051 -4.3352 -4.3352 -4.3248 -4.3248 -3.9222 -3.9222 -3.7907 -3.7907 -0.9709 -0.9709 -0.7319 -0.7319 3.1262 3.1262 3.2102 3.2102 4.3589 4.3589 5.3457 5.3457 5.6372 5.6372 k = 0.0761 0.0915-0.0000 ( 6959 PWs) bands (ev): -21.5173 -21.5173 -21.5147 -21.5147 -15.4506 -15.4506 -15.3512 -15.3512 -14.7040 -14.7040 -14.5336 -14.5336 -9.3753 -9.3753 -9.1427 -9.1427 -7.8561 -7.8561 -7.8245 -7.8245 -6.9065 -6.9065 -6.8609 -6.8609 -6.5429 -6.5429 -6.5169 -6.5169 -6.3224 -6.3224 -6.1519 -6.1519 -4.6518 -4.6518 -4.5016 -4.5016 -4.3326 -4.3326 -4.3212 -4.3212 -3.9353 -3.9353 -3.8093 -3.8093 -0.9587 -0.9587 -0.7268 -0.7268 3.1365 3.1365 3.2193 3.2193 4.3895 4.3895 5.3565 5.3565 5.6609 5.6609 k = 0.0846 0.1017-0.0000 ( 6967 PWs) bands (ev): -21.5166 -21.5166 -21.5141 -21.5141 -15.4509 -15.4509 -15.3528 -15.3528 -14.7011 -14.7011 -14.5335 -14.5335 -9.3733 -9.3733 -9.1450 -9.1450 -7.8658 -7.8658 -7.8310 -7.8310 -6.9126 -6.9126 -6.8621 -6.8621 -6.5307 -6.5307 -6.5042 -6.5042 -6.3281 -6.3281 -6.1540 -6.1540 -4.6598 -4.6598 -4.4983 -4.4983 -4.3297 -4.3297 -4.3172 -4.3172 -3.9497 -3.9497 -3.8297 -3.8297 -0.9455 -0.9455 -0.7214 -0.7214 3.1477 3.1477 3.2293 3.2293 4.4234 4.4234 5.3687 5.3687 5.6871 5.6871 k = 0.0930 0.1119-0.0000 ( 6971 PWs) bands (ev): -21.5159 -21.5159 -21.5134 -21.5134 -15.4512 -15.4512 -15.3546 -15.3546 -14.6978 -14.6978 -14.5334 -14.5334 -9.3710 -9.3710 -9.1476 -9.1476 -7.8762 -7.8762 -7.8382 -7.8382 -6.9190 -6.9190 -6.8637 -6.8637 -6.5175 -6.5175 -6.4906 -6.4906 -6.3341 -6.3341 -6.1565 -6.1565 -4.6679 -4.6679 -4.4951 -4.4951 -4.3263 -4.3263 -4.3128 -4.3128 -3.9652 -3.9652 -3.8516 -3.8516 -0.9315 -0.9315 -0.7156 -0.7156 3.1598 3.1598 3.2402 3.2402 4.4605 4.4605 5.3823 5.3823 5.7156 5.7156 k = 0.1015 0.1221-0.0000 ( 6965 PWs) bands (ev): -21.5151 -21.5151 -21.5126 -21.5126 -15.4514 -15.4514 -15.3565 -15.3565 -14.6942 -14.6942 -14.5333 -14.5333 -9.3685 -9.3685 -9.1504 -9.1504 -7.8873 -7.8873 -7.8462 -7.8462 -6.9257 -6.9257 -6.8656 -6.8656 -6.5034 -6.5034 -6.4761 -6.4761 -6.3404 -6.3404 -6.1592 -6.1592 -4.6760 -4.6760 -4.4922 -4.4922 -4.3227 -4.3227 -4.3081 -4.3081 -3.9816 -3.9816 -3.8748 -3.8748 -0.9167 -0.9167 -0.7095 -0.7095 3.1727 3.1727 3.2518 3.2518 4.5006 4.5006 5.3973 5.3973 5.7464 5.7464 k = 0.1099 0.1322-0.0000 ( 6963 PWs) bands (ev): -21.5142 -21.5142 -21.5118 -21.5118 -15.4517 -15.4517 -15.3585 -15.3585 -14.6904 -14.6904 -14.5332 -14.5332 -9.3659 -9.3659 -9.1534 -9.1534 -7.8992 -7.8992 -7.8549 -7.8549 -6.9327 -6.9327 -6.8678 -6.8678 -6.4885 -6.4885 -6.4609 -6.4609 -6.3469 -6.3469 -6.1622 -6.1622 -4.6842 -4.6842 -4.4894 -4.4894 -4.3187 -4.3187 -4.3030 -4.3030 -3.9988 -3.9988 -3.8992 -3.8992 -0.9013 -0.9013 -0.7032 -0.7032 3.1863 3.1863 3.2643 3.2643 4.5436 4.5436 5.4139 5.4139 5.7793 5.7793 k = 0.1184 0.1424-0.0000 ( 6957 PWs) bands (ev): -21.5133 -21.5133 -21.5110 -21.5110 -15.4520 -15.4520 -15.3606 -15.3606 -14.6864 -14.6864 -14.5331 -14.5331 -9.3630 -9.3630 -9.1566 -9.1566 -7.9117 -7.9117 -7.8642 -7.8642 -6.9401 -6.9401 -6.8703 -6.8703 -6.4729 -6.4729 -6.4452 -6.4452 -6.3536 -6.3536 -6.1655 -6.1655 -4.6922 -4.6922 -4.4869 -4.4869 -4.3144 -4.3144 -4.2975 -4.2975 -4.0167 -4.0167 -3.9246 -3.9246 -0.8856 -0.8856 -0.6967 -0.6967 3.2005 3.2005 3.2774 3.2774 4.5895 4.5895 5.4320 5.4320 5.8142 5.8142 k = 0.1268 0.1526-0.0000 ( 6959 PWs) bands (ev): -21.5124 -21.5124 -21.5101 -21.5101 -15.4522 -15.4522 -15.3627 -15.3627 -14.6821 -14.6821 -14.5330 -14.5330 -9.3598 -9.3598 -9.1601 -9.1601 -7.9248 -7.9248 -7.8741 -7.8741 -6.9477 -6.9477 -6.8731 -6.8731 -6.4568 -6.4568 -6.4291 -6.4291 -6.3604 -6.3604 -6.1690 -6.1690 -4.7000 -4.7000 -4.4847 -4.4847 -4.3097 -4.3097 -4.2917 -4.2917 -4.0351 -4.0351 -3.9507 -3.9507 -0.8695 -0.8695 -0.6902 -0.6902 3.2151 3.2151 3.2913 3.2913 4.6380 4.6380 5.4516 5.4516 5.8510 5.8510 k = 0.1353 0.1627-0.0000 ( 6965 PWs) bands (ev): -21.5114 -21.5114 -21.5091 -21.5091 -15.4523 -15.4523 -15.3649 -15.3649 -14.6776 -14.6776 -14.5329 -14.5329 -9.3565 -9.3565 -9.1637 -9.1637 -7.9385 -7.9385 -7.8847 -7.8847 -6.9557 -6.9557 -6.8762 -6.8762 -6.4403 -6.4403 -6.4127 -6.4127 -6.3671 -6.3671 -6.1728 -6.1728 -4.7077 -4.7077 -4.4827 -4.4827 -4.3047 -4.3047 -4.2855 -4.2855 -4.0540 -4.0540 -3.9775 -3.9775 -0.8534 -0.8534 -0.6836 -0.6836 3.2301 3.2301 3.3057 3.3057 4.6891 4.6891 5.4729 5.4729 5.8895 5.8895 k = 0.1438 0.1729-0.0000 ( 6965 PWs) bands (ev): -21.5104 -21.5104 -21.5081 -21.5081 -15.4524 -15.4524 -15.3670 -15.3670 -14.6729 -14.6729 -14.5328 -14.5328 -9.3530 -9.3530 -9.1675 -9.1675 -7.9527 -7.9527 -7.8957 -7.8957 -6.9638 -6.9638 -6.8795 -6.8795 -6.4235 -6.4235 -6.3963 -6.3963 -6.3737 -6.3737 -6.1768 -6.1768 -4.7152 -4.7152 -4.4809 -4.4809 -4.2993 -4.2993 -4.2790 -4.2790 -4.0730 -4.0730 -4.0046 -4.0046 -0.8373 -0.8373 -0.6770 -0.6770 3.2453 3.2453 3.3207 3.3207 4.7426 4.7426 5.4958 5.4958 5.9295 5.9295 k = 0.1522 0.1831-0.0000 ( 6975 PWs) bands (ev): -21.5093 -21.5093 -21.5071 -21.5071 -15.4525 -15.4525 -15.3692 -15.3692 -14.6680 -14.6680 -14.5326 -14.5326 -9.3493 -9.3493 -9.1714 -9.1714 -7.9675 -7.9675 -7.9074 -7.9074 -6.9722 -6.9722 -6.8831 -6.8831 -6.4066 -6.4066 -6.3833 -6.3833 -6.3769 -6.3769 -6.1811 -6.1811 -4.7224 -4.7224 -4.4795 -4.4795 -4.2937 -4.2937 -4.2722 -4.2722 -4.0922 -4.0922 -4.0317 -4.0317 -0.8214 -0.8214 -0.6706 -0.6706 3.2606 3.2606 3.3363 3.3363 4.7984 4.7984 5.5205 5.5205 5.9709 5.9709 k = 0.1607 0.1932-0.0000 ( 6955 PWs) bands (ev): -21.5082 -21.5082 -21.5061 -21.5061 -15.4524 -15.4524 -15.3714 -15.3714 -14.6629 -14.6629 -14.5325 -14.5325 -9.3454 -9.3454 -9.1755 -9.1755 -7.9827 -7.9827 -7.9194 -7.9194 -6.9808 -6.9808 -6.8869 -6.8869 -6.3902 -6.3902 -6.3876 -6.3876 -6.3625 -6.3625 -6.1855 -6.1855 -4.7292 -4.7292 -4.4783 -4.4783 -4.2877 -4.2877 -4.2651 -4.2651 -4.1112 -4.1112 -4.0586 -4.0586 -0.8059 -0.8059 -0.6643 -0.6643 3.2760 3.2760 3.3524 3.3524 4.8564 4.8564 5.5470 5.5470 6.0135 6.0135 k = 0.1691 0.2034-0.0000 ( 6959 PWs) bands (ev): -21.5071 -21.5071 -21.5050 -21.5050 -15.4523 -15.4523 -15.3736 -15.3736 -14.6577 -14.6577 -14.5324 -14.5324 -9.3414 -9.3414 -9.1797 -9.1797 -7.9983 -7.9983 -7.9320 -7.9320 -6.9897 -6.9897 -6.8909 -6.8909 -6.3944 -6.3944 -6.3731 -6.3731 -6.3466 -6.3466 -6.1900 -6.1900 -4.7357 -4.7357 -4.4774 -4.4774 -4.2815 -4.2815 -4.2577 -4.2577 -4.1301 -4.1301 -4.0850 -4.0850 -0.7908 -0.7908 -0.6582 -0.6582 3.2912 3.2912 3.3689 3.3689 4.9164 4.9164 5.5752 5.5752 6.0570 6.0570 k = 0.1776 0.2136-0.0000 ( 6947 PWs) bands (ev): -21.5060 -21.5060 -21.5039 -21.5039 -15.4520 -15.4520 -15.3757 -15.3757 -14.6523 -14.6523 -14.5323 -14.5323 -9.3372 -9.3372 -9.1840 -9.1840 -8.0143 -8.0143 -7.9449 -7.9449 -6.9986 -6.9986 -6.8952 -6.8952 -6.4006 -6.4006 -6.3569 -6.3569 -6.3312 -6.3312 -6.1947 -6.1947 -4.7419 -4.7419 -4.4767 -4.4767 -4.2749 -4.2749 -4.2499 -4.2499 -4.1487 -4.1487 -4.1106 -4.1106 -0.7764 -0.7764 -0.6524 -0.6524 3.3061 3.3061 3.3858 3.3858 4.9783 4.9783 5.6054 5.6054 6.1013 6.1013 k = 0.1860 0.2238-0.0000 ( 6935 PWs) bands (ev): -21.5048 -21.5048 -21.5028 -21.5028 -15.4517 -15.4517 -15.3777 -15.3777 -14.6468 -14.6468 -14.5322 -14.5322 -9.3328 -9.3328 -9.1885 -9.1885 -8.0306 -8.0306 -7.9582 -7.9582 -7.0078 -7.0078 -6.8996 -6.8996 -6.4067 -6.4067 -6.3412 -6.3412 -6.3164 -6.3164 -6.1995 -6.1995 -4.7475 -4.7475 -4.4764 -4.4764 -4.2681 -4.2681 -4.2420 -4.2420 -4.1670 -4.1670 -4.1348 -4.1348 -0.7628 -0.7628 -0.6469 -0.6469 3.3208 3.3208 3.4031 3.4031 5.0419 5.0419 5.6374 5.6374 6.1461 6.1461 k = 0.1945 0.2339-0.0000 ( 6947 PWs) bands (ev): -21.5037 -21.5037 -21.5017 -21.5017 -15.4513 -15.4513 -15.3797 -15.3797 -14.6413 -14.6413 -14.5321 -14.5321 -9.3283 -9.3283 -9.1930 -9.1930 -8.0472 -8.0472 -7.9718 -7.9718 -7.0171 -7.0171 -6.9042 -6.9042 -6.4125 -6.4125 -6.3263 -6.3263 -6.3024 -6.3024 -6.2044 -6.2044 -4.7528 -4.7528 -4.4763 -4.4763 -4.2611 -4.2611 -4.2338 -4.2338 -4.1854 -4.1854 -4.1571 -4.1571 -0.7501 -0.7501 -0.6417 -0.6417 3.3350 3.3350 3.4206 3.4206 5.1071 5.1071 5.6714 5.6714 6.1912 6.1912 k = 0.2030 0.2441-0.0000 ( 6947 PWs) bands (ev): -21.5025 -21.5025 -21.5006 -21.5006 -15.4508 -15.4508 -15.3815 -15.3815 -14.6357 -14.6357 -14.5319 -14.5319 -9.3238 -9.3238 -9.1976 -9.1976 -8.0640 -8.0640 -7.9857 -7.9857 -7.0264 -7.0264 -6.9090 -6.9090 -6.4181 -6.4181 -6.3123 -6.3123 -6.2895 -6.2895 -6.2092 -6.2092 -4.7577 -4.7577 -4.4766 -4.4766 -4.2538 -4.2538 -4.2254 -4.2254 -4.2039 -4.2039 -4.1767 -4.1767 -0.7385 -0.7385 -0.6369 -0.6369 3.3487 3.3487 3.4384 3.4384 5.1739 5.1739 5.7074 5.7074 6.2363 6.2363 k = 0.2114 0.2543-0.0000 ( 6947 PWs) bands (ev): -21.5013 -21.5013 -21.4995 -21.4995 -15.4502 -15.4502 -15.3833 -15.3833 -14.6301 -14.6301 -14.5318 -14.5318 -9.3191 -9.3191 -9.2022 -9.2022 -8.0810 -8.0810 -7.9999 -7.9999 -7.0359 -7.0359 -6.9139 -6.9139 -6.4233 -6.4233 -6.2995 -6.2995 -6.2777 -6.2777 -6.2141 -6.2141 -4.7621 -4.7621 -4.4770 -4.4770 -4.2464 -4.2464 -4.2236 -4.2236 -4.2160 -4.2160 -4.1934 -4.1934 -0.7280 -0.7280 -0.6323 -0.6323 3.3619 3.3619 3.4562 3.4562 5.2419 5.2419 5.7455 5.7455 6.2811 6.2811 k = 0.2199 0.2644-0.0000 ( 6955 PWs) bands (ev): -21.5002 -21.5002 -21.4984 -21.4984 -15.4495 -15.4495 -15.3849 -15.3849 -14.6244 -14.6244 -14.5316 -14.5316 -9.3144 -9.3144 -9.2069 -9.2069 -8.0981 -8.0981 -8.0142 -8.0142 -7.0454 -7.0454 -6.9188 -6.9188 -6.4282 -6.4282 -6.2879 -6.2879 -6.2673 -6.2673 -6.2190 -6.2190 -4.7660 -4.7660 -4.4778 -4.4778 -4.2427 -4.2427 -4.2377 -4.2377 -4.2092 -4.2092 -4.2057 -4.2057 -0.7189 -0.7189 -0.6282 -0.6282 3.3746 3.3746 3.4742 3.4742 5.3112 5.3112 5.7856 5.7856 6.3253 6.3253 k = 0.2283 0.2746-0.0000 ( 6967 PWs) bands (ev): -21.4990 -21.4990 -21.4972 -21.4972 -15.4487 -15.4487 -15.3865 -15.3865 -14.6187 -14.6187 -14.5314 -14.5314 -9.3096 -9.3096 -9.2115 -9.2115 -8.1154 -8.1154 -8.0287 -8.0287 -7.0550 -7.0550 -6.9240 -6.9240 -6.4327 -6.4327 -6.2778 -6.2778 -6.2582 -6.2582 -6.2238 -6.2238 -4.7695 -4.7695 -4.4789 -4.4789 -4.2596 -4.2596 -4.2309 -4.2309 -4.2187 -4.2187 -4.1983 -4.1983 -0.7112 -0.7112 -0.6243 -0.6243 3.3866 3.3866 3.4920 3.4920 5.3815 5.3815 5.8278 5.8278 6.3686 6.3686 k = 0.2368 0.2848-0.0000 ( 6963 PWs) bands (ev): -21.4979 -21.4979 -21.4961 -21.4961 -15.4478 -15.4478 -15.3879 -15.3879 -14.6131 -14.6131 -14.5312 -14.5312 -9.3049 -9.3049 -9.2161 -9.2161 -8.1326 -8.1326 -8.0432 -8.0432 -7.0646 -7.0646 -6.9291 -6.9291 -6.4369 -6.4369 -6.2693 -6.2693 -6.2507 -6.2507 -6.2285 -6.2285 -4.7725 -4.7725 -4.4802 -4.4802 -4.2759 -4.2759 -4.2293 -4.2293 -4.2213 -4.2213 -4.1892 -4.1892 -0.7050 -0.7050 -0.6207 -0.6207 3.3980 3.3980 3.5098 3.5098 5.4528 5.4528 5.8722 5.8722 6.4106 6.4106 k = 0.2452 0.2950-0.0000 ( 6975 PWs) bands (ev): -21.4967 -21.4967 -21.4950 -21.4950 -15.4468 -15.4468 -15.3891 -15.3891 -14.6075 -14.6075 -14.5309 -14.5309 -9.3002 -9.3002 -9.2206 -9.2206 -8.1499 -8.1499 -8.0578 -8.0578 -7.0742 -7.0742 -6.9344 -6.9344 -6.4407 -6.4407 -6.2625 -6.2625 -6.2447 -6.2447 -6.2330 -6.2330 -4.7750 -4.7750 -4.4817 -4.4817 -4.2906 -4.2906 -4.2356 -4.2356 -4.2137 -4.2137 -4.1800 -4.1800 -0.7003 -0.7003 -0.6175 -0.6175 3.4088 3.4088 3.5274 3.5274 5.5249 5.5249 5.9187 5.9187 6.4509 6.4509 k = 0.2537 0.3051-0.0000 ( 6971 PWs) bands (ev): -21.4956 -21.4956 -21.4939 -21.4939 -15.4457 -15.4457 -15.3902 -15.3902 -14.6020 -14.6020 -14.5305 -14.5305 -9.2957 -9.2957 -9.2249 -9.2249 -8.1670 -8.1670 -8.0725 -8.0725 -7.0837 -7.0837 -6.9397 -6.9397 -6.4440 -6.4440 -6.2576 -6.2576 -6.2405 -6.2405 -6.2372 -6.2372 -4.7771 -4.7771 -4.4835 -4.4835 -4.3035 -4.3035 -4.2401 -4.2401 -4.2055 -4.2055 -4.1706 -4.1706 -0.6972 -0.6972 -0.6146 -0.6146 3.4189 3.4189 3.5448 3.5448 5.5976 5.5976 5.9673 5.9673 6.4892 6.4892 k = 0.2621 0.3153-0.0000 ( 6965 PWs) bands (ev): -21.4945 -21.4945 -21.4929 -21.4929 -15.4445 -15.4445 -15.3911 -15.3911 -14.5967 -14.5967 -14.5301 -14.5301 -9.2914 -9.2914 -9.2290 -9.2290 -8.1841 -8.1841 -8.0870 -8.0870 -7.0932 -7.0932 -6.9449 -6.9449 -6.4469 -6.4469 -6.2547 -6.2547 -6.2416 -6.2416 -6.2375 -6.2375 -4.7787 -4.7787 -4.4856 -4.4856 -4.3144 -4.3144 -4.2425 -4.2425 -4.1971 -4.1971 -4.1611 -4.1611 -0.6955 -0.6955 -0.6121 -0.6121 3.4284 3.4284 3.5618 3.5618 5.6708 5.6708 6.0182 6.0182 6.5251 6.5251 k = 0.2706 0.3255-0.0000 ( 6959 PWs) bands (ev): -21.4934 -21.4934 -21.4918 -21.4918 -15.4432 -15.4432 -15.3919 -15.3919 -14.5915 -14.5915 -14.5295 -14.5295 -9.2874 -9.2874 -9.2327 -9.2327 -8.2010 -8.2010 -8.1015 -8.1015 -7.1026 -7.1026 -6.9503 -6.9503 -6.4494 -6.4494 -6.2539 -6.2539 -6.2452 -6.2452 -6.2365 -6.2365 -4.7798 -4.7798 -4.4879 -4.4879 -4.3232 -4.3232 -4.2428 -4.2428 -4.1886 -4.1886 -4.1516 -4.1516 -0.6954 -0.6954 -0.6100 -0.6100 3.4372 3.4372 3.5785 3.5785 5.7444 5.7444 6.0713 6.0713 6.5581 6.5581 k = 0.2791 0.3356-0.0000 ( 6961 PWs) bands (ev): -21.4924 -21.4924 -21.4908 -21.4908 -15.4419 -15.4419 -15.3924 -15.3924 -14.5866 -14.5866 -14.5287 -14.5287 -9.2839 -9.2839 -9.2359 -9.2359 -8.2177 -8.2177 -8.1159 -8.1159 -7.1119 -7.1119 -6.9556 -6.9556 -6.4515 -6.4515 -6.2554 -6.2554 -6.2484 -6.2484 -6.2371 -6.2371 -4.7806 -4.7806 -4.4904 -4.4904 -4.3300 -4.3300 -4.2410 -4.2410 -4.1801 -4.1801 -4.1421 -4.1421 -0.6966 -0.6966 -0.6084 -0.6084 3.4454 3.4454 3.5948 3.5948 5.8182 5.8182 6.1265 6.1265 6.5878 6.5878 k = 0.2875 0.3458-0.0000 ( 6961 PWs) bands (ev): -21.4913 -21.4913 -21.4898 -21.4898 -15.4405 -15.4405 -15.3928 -15.3928 -14.5820 -14.5820 -14.5278 -14.5278 -9.2812 -9.2812 -9.2383 -9.2383 -8.2342 -8.2342 -8.1301 -8.1301 -7.1211 -7.1211 -6.9608 -6.9608 -6.4532 -6.4532 -6.2583 -6.2583 -6.2516 -6.2516 -6.2393 -6.2393 -4.7808 -4.7808 -4.4932 -4.4932 -4.3347 -4.3347 -4.2372 -4.2372 -4.1716 -4.1716 -4.1326 -4.1326 -0.6991 -0.6991 -0.6073 -0.6073 3.4530 3.4530 3.6106 3.6106 5.8921 5.8921 6.1839 6.1839 6.6140 6.6140 k = 0.2960 0.3560-0.0000 ( 6975 PWs) bands (ev): -21.4904 -21.4904 -21.4888 -21.4888 -15.4391 -15.4391 -15.3931 -15.3931 -14.5777 -14.5777 -14.5266 -14.5266 -9.2795 -9.2795 -9.2397 -9.2397 -8.2505 -8.2505 -8.1441 -8.1441 -7.1301 -7.1301 -6.9661 -6.9661 -6.4545 -6.4545 -6.2623 -6.2623 -6.2555 -6.2555 -6.2430 -6.2430 -4.7807 -4.7807 -4.4962 -4.4962 -4.3375 -4.3375 -4.2314 -4.2314 -4.1631 -4.1631 -4.1232 -4.1232 -0.7028 -0.7028 -0.6067 -0.6067 3.4600 3.4600 3.6258 3.6258 5.9658 5.9658 6.2435 6.2435 6.6363 6.6363 k = 0.3044 0.3662-0.0000 ( 6973 PWs) bands (ev): -21.4894 -21.4894 -21.4878 -21.4878 -15.4376 -15.4376 -15.3931 -15.3931 -14.5738 -14.5738 -14.5252 -14.5252 -9.2790 -9.2790 -9.2398 -9.2398 -8.2663 -8.2663 -8.1579 -8.1579 -7.1389 -7.1389 -6.9712 -6.9712 -6.4553 -6.4553 -6.2672 -6.2672 -6.2598 -6.2598 -6.2482 -6.2482 -4.7802 -4.7802 -4.4994 -4.4994 -4.3384 -4.3384 -4.2237 -4.2237 -4.1547 -4.1547 -4.1138 -4.1138 -0.7076 -0.7076 -0.6067 -0.6067 3.4664 3.4664 3.6405 3.6405 6.0392 6.0392 6.3052 6.3052 6.6545 6.6545 k = 0.3129 0.3763-0.0000 ( 6977 PWs) bands (ev): -21.4885 -21.4885 -21.4869 -21.4869 -15.4361 -15.4361 -15.3930 -15.3930 -14.5703 -14.5703 -14.5234 -14.5234 -9.2798 -9.2798 -9.2388 -9.2388 -8.2819 -8.2819 -8.1714 -8.1714 -7.1476 -7.1476 -6.9763 -6.9763 -6.4558 -6.4558 -6.2735 -6.2735 -6.2640 -6.2640 -6.2547 -6.2547 -4.7792 -4.7792 -4.5029 -4.5029 -4.3376 -4.3376 -4.2143 -4.2143 -4.1463 -4.1463 -4.1046 -4.1046 -0.7133 -0.7133 -0.6072 -0.6072 3.4722 3.4722 3.6547 3.6547 6.1122 6.1122 6.3691 6.3691 6.6684 6.6684 k = 0.3213 0.3865-0.0000 ( 6979 PWs) bands (ev): -21.4876 -21.4876 -21.4860 -21.4860 -15.4346 -15.4346 -15.3927 -15.3927 -14.5673 -14.5673 -14.5213 -14.5213 -9.2816 -9.2816 -9.2367 -9.2367 -8.2970 -8.2970 -8.1846 -8.1846 -7.1560 -7.1560 -6.9813 -6.9813 -6.4559 -6.4559 -6.2814 -6.2814 -6.2676 -6.2676 -6.2625 -6.2625 -4.7779 -4.7779 -4.5065 -4.5065 -4.3351 -4.3351 -4.2034 -4.2034 -4.1381 -4.1381 -4.0955 -4.0955 -0.7198 -0.7198 -0.6083 -0.6083 3.4776 3.4776 3.6682 3.6682 6.1845 6.1845 6.4351 6.4351 6.6780 6.6780 k = 0.3298 0.3967-0.0000 ( 6979 PWs) bands (ev): -21.4867 -21.4867 -21.4852 -21.4852 -15.4331 -15.4331 -15.3922 -15.3922 -14.5647 -14.5647 -14.5189 -14.5189 -9.2840 -9.2840 -9.2339 -9.2339 -8.3117 -8.3117 -8.1974 -8.1974 -7.1642 -7.1642 -6.9862 -6.9862 -6.4556 -6.4556 -6.2907 -6.2907 -6.2714 -6.2714 -6.2709 -6.2709 -4.7763 -4.7763 -4.5102 -4.5102 -4.3312 -4.3312 -4.1911 -4.1911 -4.1299 -4.1299 -4.0866 -4.0866 -0.7271 -0.7271 -0.6099 -0.6099 3.4824 3.4824 3.6811 3.6811 6.2559 6.2559 6.5032 6.5032 6.6835 6.6835 k = 0.3383 0.4068-0.0000 ( 6971 PWs) bands (ev): -21.4859 -21.4859 -21.4844 -21.4844 -15.4316 -15.4316 -15.3916 -15.3916 -14.5626 -14.5626 -14.5163 -14.5163 -9.2868 -9.2868 -9.2307 -9.2307 -8.3259 -8.3259 -8.2099 -8.2099 -7.1722 -7.1722 -6.9910 -6.9910 -6.4550 -6.4550 -6.3009 -6.3009 -6.2813 -6.2813 -6.2739 -6.2739 -4.7743 -4.7743 -4.5142 -4.5142 -4.3260 -4.3260 -4.1777 -4.1777 -4.1220 -4.1220 -4.0778 -4.0778 -0.7350 -0.7350 -0.6120 -0.6120 3.4868 3.4868 3.6934 3.6934 6.3263 6.3263 6.5733 6.5733 6.6851 6.6851 k = 0.3467 0.4170-0.0000 ( 6967 PWs) bands (ev): -21.4852 -21.4852 -21.4836 -21.4836 -15.4301 -15.4301 -15.3908 -15.3908 -14.5609 -14.5609 -14.5134 -14.5134 -9.2900 -9.2900 -9.2273 -9.2273 -8.3396 -8.3396 -8.2219 -8.2219 -7.1798 -7.1798 -6.9956 -6.9956 -6.4541 -6.4541 -6.3120 -6.3120 -6.2919 -6.2919 -6.2767 -6.2767 -4.7720 -4.7720 -4.5183 -4.5183 -4.3197 -4.3197 -4.1633 -4.1633 -4.1142 -4.1142 -4.0693 -4.0693 -0.7434 -0.7434 -0.6146 -0.6146 3.4908 3.4908 3.7051 3.7051 6.3952 6.3952 6.6455 6.6455 6.6832 6.6832 k = 0.3552 0.4272-0.0000 ( 6971 PWs) bands (ev): -21.4844 -21.4844 -21.4829 -21.4829 -15.4287 -15.4287 -15.3899 -15.3899 -14.5596 -14.5596 -14.5104 -14.5104 -9.2932 -9.2932 -9.2237 -9.2237 -8.3528 -8.3528 -8.2334 -8.2334 -7.1872 -7.1872 -7.0000 -7.0000 -6.4528 -6.4528 -6.3236 -6.3236 -6.3033 -6.3033 -6.2793 -6.2793 -4.7694 -4.7694 -4.5225 -4.5225 -4.3126 -4.3126 -4.1482 -4.1482 -4.1067 -4.1067 -4.0611 -4.0611 -0.7522 -0.7522 -0.6175 -0.6175 3.4943 3.4943 3.7160 3.7160 6.4626 6.4626 6.6781 6.6781 6.7195 6.7195 k = 0.3636 0.4373-0.0000 ( 6973 PWs) bands (ev): -21.4837 -21.4837 -21.4822 -21.4822 -15.4273 -15.4273 -15.3889 -15.3889 -14.5586 -14.5586 -14.5072 -14.5072 -9.2965 -9.2965 -9.2202 -9.2202 -8.3654 -8.3654 -8.2445 -8.2445 -7.1943 -7.1943 -7.0043 -7.0043 -6.4514 -6.4514 -6.3355 -6.3355 -6.3151 -6.3151 -6.2817 -6.2817 -4.7665 -4.7665 -4.5269 -4.5269 -4.3047 -4.3047 -4.1326 -4.1326 -4.0994 -4.0994 -4.0531 -4.0531 -0.7613 -0.7613 -0.6208 -0.6208 3.4975 3.4975 3.7263 3.7263 6.5279 6.5279 6.6704 6.6704 6.7955 6.7955 k = 0.3721 0.4475-0.0000 ( 6969 PWs) bands (ev): -21.4831 -21.4831 -21.4815 -21.4815 -15.4260 -15.4260 -15.3878 -15.3878 -14.5578 -14.5578 -14.5040 -14.5040 -9.2997 -9.2997 -9.2167 -9.2167 -8.3773 -8.3773 -8.2551 -8.2551 -7.2010 -7.2010 -7.0084 -7.0084 -6.4496 -6.4496 -6.3476 -6.3476 -6.3272 -6.3272 -6.2840 -6.2840 -4.7634 -4.7634 -4.5313 -4.5313 -4.2963 -4.2963 -4.1167 -4.1167 -4.0923 -4.0923 -4.0455 -4.0455 -0.7706 -0.7706 -0.6243 -0.6243 3.5004 3.5004 3.7360 3.7360 6.5906 6.5906 6.6610 6.6610 6.8733 6.8733 k = 0.3805 0.4577-0.0000 ( 6963 PWs) bands (ev): -21.4825 -21.4825 -21.4809 -21.4809 -15.4248 -15.4248 -15.3867 -15.3867 -14.5573 -14.5573 -14.5008 -14.5008 -9.3028 -9.3028 -9.2134 -9.2134 -8.3887 -8.3887 -8.2651 -8.2651 -7.2074 -7.2074 -7.0122 -7.0122 -6.4477 -6.4477 -6.3597 -6.3597 -6.3395 -6.3395 -6.2861 -6.2861 -4.7601 -4.7601 -4.5359 -4.5359 -4.2875 -4.2875 -4.1008 -4.1008 -4.0854 -4.0854 -4.0382 -4.0382 -0.7800 -0.7800 -0.6279 -0.6279 3.5030 3.5030 3.7450 3.7450 6.6401 6.6401 6.6607 6.6607 6.9527 6.9527 k = 0.3890 0.4679-0.0000 ( 6971 PWs) bands (ev): -21.4819 -21.4819 -21.4803 -21.4803 -15.4236 -15.4236 -15.3855 -15.3855 -14.5569 -14.5569 -14.4977 -14.4977 -9.3058 -9.3058 -9.2102 -9.2102 -8.3994 -8.3994 -8.2745 -8.2745 -7.2134 -7.2134 -7.0159 -7.0159 -6.4457 -6.4457 -6.3716 -6.3716 -6.3518 -6.3518 -6.2881 -6.2881 -4.7566 -4.7566 -4.5405 -4.5405 -4.2786 -4.2786 -4.0857 -4.0857 -4.0783 -4.0783 -4.0313 -4.0313 -0.7893 -0.7893 -0.6317 -0.6317 3.5052 3.5052 3.7533 3.7533 6.6333 6.6333 6.7125 6.7125 7.0338 7.0338 k = 0.3974 0.4780-0.0000 ( 6963 PWs) bands (ev): -21.4814 -21.4814 -21.4798 -21.4798 -15.4224 -15.4224 -15.3843 -15.3843 -14.5566 -14.5566 -14.4947 -14.4947 -9.3086 -9.3086 -9.2071 -9.2071 -8.4094 -8.4094 -8.2834 -8.2834 -7.2191 -7.2191 -7.0194 -7.0194 -6.4435 -6.4435 -6.3832 -6.3832 -6.3639 -6.3639 -6.2900 -6.2900 -4.7530 -4.7530 -4.5450 -4.5450 -4.2696 -4.2696 -4.0751 -4.0751 -4.0672 -4.0672 -4.0247 -4.0247 -0.7984 -0.7984 -0.6356 -0.6356 3.5072 3.5072 3.7610 3.7610 6.6200 6.6200 6.7670 6.7670 7.1163 7.1163 k = 0.4059 0.4882-0.0000 ( 6967 PWs) bands (ev): -21.4809 -21.4809 -21.4793 -21.4793 -15.4214 -15.4214 -15.3830 -15.3830 -14.5564 -14.5564 -14.4919 -14.4919 -9.3113 -9.3113 -9.2043 -9.2043 -8.4187 -8.4187 -8.2916 -8.2916 -7.2243 -7.2243 -7.0226 -7.0226 -6.4412 -6.4412 -6.3943 -6.3943 -6.3756 -6.3756 -6.2918 -6.2918 -4.7493 -4.7493 -4.5496 -4.5496 -4.2607 -4.2607 -4.0687 -4.0687 -4.0528 -4.0528 -4.0186 -4.0186 -0.8073 -0.8073 -0.6394 -0.6394 3.5090 3.5090 3.7680 3.7680 6.6059 6.6059 6.8185 6.8185 7.1895 7.1895 k = 0.4144 0.4984-0.0000 ( 6975 PWs) bands (ev): -21.4805 -21.4805 -21.4788 -21.4788 -15.4204 -15.4204 -15.3818 -15.3818 -14.5563 -14.5563 -14.4892 -14.4892 -9.3137 -9.3137 -9.2017 -9.2017 -8.4273 -8.4273 -8.2992 -8.2992 -7.2292 -7.2292 -7.0255 -7.0255 -6.4389 -6.4389 -6.4047 -6.4047 -6.3870 -6.3870 -6.2935 -6.2935 -4.7456 -4.7456 -4.5541 -4.5541 -4.2522 -4.2522 -4.0634 -4.0634 -4.0384 -4.0384 -4.0130 -4.0130 -0.8158 -0.8158 -0.6432 -0.6432 3.5106 3.5106 3.7744 3.7744 6.5916 6.5916 6.8664 6.8664 7.1812 7.1812 k = 0.4228 0.5085-0.0000 ( 6970 PWs) bands (ev): -21.4801 -21.4801 -21.4784 -21.4784 -15.4195 -15.4195 -15.3806 -15.3806 -14.5562 -14.5562 -14.4867 -14.4867 -9.3160 -9.3160 -9.1993 -9.1993 -8.4351 -8.4351 -8.3062 -8.3062 -7.2336 -7.2336 -7.0282 -7.0282 -6.4367 -6.4367 -6.4145 -6.4145 -6.3977 -6.3977 -6.2951 -6.2951 -4.7419 -4.7419 -4.5585 -4.5585 -4.2440 -4.2440 -4.0585 -4.0585 -4.0248 -4.0248 -4.0078 -4.0078 -0.8239 -0.8239 -0.6468 -0.6468 3.5119 3.5119 3.7801 3.7801 6.5777 6.5777 6.9103 6.9103 7.1738 7.1738 k = 0.4228 0.5085-0.0000 ( 6970 PWs) bands (ev): -21.4801 -21.4801 -21.4784 -21.4784 -15.4195 -15.4195 -15.3806 -15.3806 -14.5562 -14.5562 -14.4867 -14.4867 -9.3160 -9.3160 -9.1993 -9.1993 -8.4351 -8.4351 -8.3062 -8.3062 -7.2336 -7.2336 -7.0282 -7.0282 -6.4367 -6.4367 -6.4145 -6.4145 -6.3977 -6.3977 -6.2951 -6.2951 -4.7419 -4.7419 -4.5585 -4.5585 -4.2440 -4.2440 -4.0585 -4.0585 -4.0248 -4.0248 -4.0078 -4.0078 -0.8239 -0.8239 -0.6468 -0.6468 3.5119 3.5119 3.7801 3.7801 6.5777 6.5777 6.9103 6.9103 7.1738 7.1738 k = 0.4096 0.5085-0.0000 ( 6972 PWs) bands (ev): -21.4804 -21.4804 -21.4787 -21.4787 -15.4201 -15.4201 -15.3814 -15.3814 -14.5563 -14.5563 -14.4883 -14.4883 -9.3146 -9.3146 -9.2008 -9.2008 -8.4298 -8.4298 -8.3016 -8.3016 -7.2306 -7.2306 -7.0265 -7.0265 -6.4380 -6.4380 -6.4084 -6.4084 -6.3910 -6.3910 -6.2940 -6.2940 -4.7442 -4.7442 -4.5557 -4.5557 -4.2495 -4.2495 -4.0621 -4.0621 -4.0356 -4.0356 -4.0081 -4.0081 -0.8188 -0.8188 -0.6445 -0.6445 3.5107 3.5107 3.7761 3.7761 6.5861 6.5861 6.8835 6.8835 7.1754 7.1754 k = 0.3964 0.5085-0.0000 ( 6973 PWs) bands (ev): -21.4807 -21.4807 -21.4791 -21.4791 -15.4207 -15.4207 -15.3821 -15.3821 -14.5566 -14.5566 -14.4900 -14.4900 -9.3133 -9.3133 -9.2023 -9.2023 -8.4235 -8.4235 -8.2962 -8.2962 -7.2272 -7.2272 -7.0248 -7.0248 -6.4390 -6.4390 -6.4020 -6.4020 -6.3840 -6.3840 -6.2925 -6.2925 -4.7464 -4.7464 -4.5528 -4.5528 -4.2558 -4.2558 -4.0685 -4.0685 -4.0458 -4.0458 -4.0064 -4.0064 -0.8136 -0.8136 -0.6422 -0.6422 3.5086 3.5086 3.7709 3.7709 6.5939 6.5939 6.8565 6.8565 7.1712 7.1712 k = 0.3832 0.5085-0.0000 ( 6961 PWs) bands (ev): -21.4811 -21.4811 -21.4794 -21.4794 -15.4215 -15.4215 -15.3828 -15.3828 -14.5571 -14.5571 -14.4919 -14.4919 -9.3121 -9.3121 -9.2038 -9.2038 -8.4162 -8.4162 -8.2901 -8.2901 -7.2232 -7.2232 -7.0229 -7.0229 -6.4398 -6.4398 -6.3953 -6.3953 -6.3769 -6.3769 -6.2908 -6.2908 -4.7485 -4.7485 -4.5498 -4.5498 -4.2627 -4.2627 -4.0800 -4.0800 -4.0514 -4.0514 -4.0047 -4.0047 -0.8083 -0.8083 -0.6400 -0.6400 3.5057 3.5057 3.7646 3.7646 6.6013 6.6013 6.8291 6.8291 7.1605 7.1605 k = 0.3700 0.5085-0.0000 ( 6967 PWs) bands (ev): -21.4815 -21.4815 -21.4799 -21.4799 -15.4222 -15.4222 -15.3835 -15.3835 -14.5578 -14.5578 -14.4938 -14.4938 -9.3109 -9.3109 -9.2054 -9.2054 -8.4079 -8.4079 -8.2834 -8.2834 -7.2188 -7.2188 -7.0211 -7.0211 -6.4402 -6.4402 -6.3885 -6.3885 -6.3696 -6.3696 -6.2889 -6.2889 -4.7506 -4.7506 -4.5467 -4.5467 -4.2701 -4.2701 -4.0947 -4.0947 -4.0537 -4.0537 -4.0034 -4.0034 -0.8029 -0.8029 -0.6377 -0.6377 3.5020 3.5020 3.7573 3.7573 6.6083 6.6083 6.8013 6.8013 7.1397 7.1397 k = 0.3568 0.5085-0.0000 ( 6967 PWs) bands (ev): -21.4820 -21.4820 -21.4804 -21.4804 -15.4231 -15.4231 -15.3843 -15.3843 -14.5586 -14.5586 -14.4959 -14.4959 -9.3097 -9.3097 -9.2071 -9.2071 -8.3987 -8.3987 -8.2761 -8.2761 -7.2141 -7.2141 -7.0193 -7.0193 -6.4403 -6.4403 -6.3815 -6.3815 -6.3623 -6.3623 -6.2866 -6.2866 -4.7525 -4.7525 -4.5435 -4.5435 -4.2779 -4.2779 -4.1107 -4.1107 -4.0546 -4.0546 -4.0025 -4.0025 -0.7975 -0.7975 -0.6355 -0.6355 3.4977 3.4977 3.7491 3.7491 6.6150 6.6150 6.7732 6.7732 7.1036 7.1036 k = 0.3435 0.5085-0.0000 ( 6964 PWs) bands (ev): -21.4825 -21.4825 -21.4809 -21.4809 -15.4240 -15.4240 -15.3850 -15.3850 -14.5596 -14.5596 -14.4981 -14.4981 -9.3085 -9.3085 -9.2088 -9.2088 -8.3887 -8.3887 -8.2681 -8.2681 -7.2089 -7.2089 -7.0175 -7.0175 -6.4400 -6.4400 -6.3744 -6.3744 -6.3549 -6.3549 -6.2841 -6.2841 -4.7542 -4.7542 -4.5404 -4.5404 -4.2860 -4.2860 -4.1273 -4.1273 -4.0549 -4.0549 -4.0022 -4.0022 -0.7920 -0.7920 -0.6333 -0.6333 3.4928 3.4928 3.7400 3.7400 6.6213 6.6213 6.7445 6.7445 7.0605 7.0605 k = 0.3303 0.5085-0.0000 ( 6964 PWs) bands (ev): -21.4831 -21.4831 -21.4815 -21.4815 -15.4249 -15.4249 -15.3857 -15.3857 -14.5607 -14.5607 -14.5003 -14.5003 -9.3074 -9.3074 -9.2105 -9.2105 -8.3779 -8.3779 -8.2596 -8.2596 -7.2035 -7.2035 -7.0159 -7.0159 -6.4393 -6.4393 -6.3672 -6.3672 -6.3475 -6.3475 -6.2814 -6.2814 -4.7558 -4.7558 -4.5372 -4.5372 -4.2943 -4.2943 -4.1441 -4.1441 -4.0548 -4.0548 -4.0024 -4.0024 -0.7865 -0.7865 -0.6311 -0.6311 3.4874 3.4874 3.7301 3.7301 6.6273 6.6273 6.7155 6.7155 7.0169 7.0169 k = 0.3171 0.5085-0.0000 ( 6968 PWs) bands (ev): -21.4837 -21.4837 -21.4821 -21.4821 -15.4259 -15.4259 -15.3864 -15.3864 -14.5620 -14.5620 -14.5026 -14.5026 -9.3062 -9.3062 -9.2122 -9.2122 -8.3664 -8.3664 -8.2507 -8.2507 -7.1977 -7.1977 -7.0144 -7.0144 -6.4382 -6.4382 -6.3600 -6.3600 -6.3401 -6.3401 -6.2785 -6.2785 -4.7573 -4.7573 -4.5340 -4.5340 -4.3026 -4.3026 -4.1609 -4.1609 -4.0546 -4.0546 -4.0032 -4.0032 -0.7810 -0.7810 -0.6290 -0.6290 3.4816 3.4816 3.7195 3.7195 6.6327 6.6327 6.6862 6.6862 6.9742 6.9742 k = 0.3039 0.5085-0.0000 ( 6967 PWs) bands (ev): -21.4843 -21.4843 -21.4827 -21.4827 -15.4269 -15.4269 -15.3870 -15.3870 -14.5634 -14.5634 -14.5050 -14.5050 -9.3051 -9.3051 -9.2140 -9.2140 -8.3542 -8.3542 -8.2413 -8.2413 -7.1918 -7.1918 -7.0131 -7.0131 -6.4368 -6.4368 -6.3528 -6.3528 -6.3328 -6.3328 -6.2754 -6.2754 -4.7586 -4.7586 -4.5307 -4.5307 -4.3109 -4.3109 -4.1775 -4.1775 -4.0544 -4.0544 -4.0044 -4.0044 -0.7755 -0.7755 -0.6271 -0.6271 3.4755 3.4755 3.7084 3.7084 6.6366 6.6366 6.6574 6.6574 6.9330 6.9330 k = 0.2907 0.5085-0.0000 ( 6957 PWs) bands (ev): -21.4850 -21.4850 -21.4834 -21.4834 -15.4279 -15.4279 -15.3877 -15.3877 -14.5648 -14.5648 -14.5073 -14.5073 -9.3040 -9.3040 -9.2158 -9.2158 -8.3415 -8.3415 -8.2315 -8.2315 -7.1857 -7.1857 -7.0119 -7.0119 -6.4350 -6.4350 -6.3457 -6.3457 -6.3256 -6.3256 -6.2720 -6.2720 -4.7597 -4.7597 -4.5275 -4.5275 -4.3190 -4.3190 -4.1940 -4.1940 -4.0542 -4.0542 -4.0062 -4.0062 -0.7701 -0.7701 -0.6252 -0.6252 3.4691 3.4691 3.6967 3.6967 6.6233 6.6233 6.6448 6.6448 6.8933 6.8933 k = 0.2775 0.5085-0.0000 ( 6960 PWs) bands (ev): -21.4857 -21.4857 -21.4841 -21.4841 -15.4289 -15.4289 -15.3883 -15.3883 -14.5664 -14.5664 -14.5097 -14.5097 -9.3029 -9.3029 -9.2176 -9.2176 -8.3283 -8.3283 -8.2215 -8.2215 -7.1794 -7.1794 -7.0111 -7.0111 -6.4328 -6.4328 -6.3387 -6.3387 -6.3186 -6.3186 -6.2685 -6.2685 -4.7607 -4.7607 -4.5244 -4.5244 -4.3269 -4.3269 -4.2103 -4.2103 -4.0540 -4.0540 -4.0085 -4.0085 -0.7648 -0.7648 -0.6234 -0.6234 3.4627 3.4627 3.6846 3.6846 6.5938 6.5938 6.6470 6.6470 6.8552 6.8552 k = 0.2643 0.5085-0.0000 ( 6957 PWs) bands (ev): -21.4864 -21.4864 -21.4848 -21.4848 -15.4299 -15.4299 -15.3890 -15.3890 -14.5680 -14.5680 -14.5121 -14.5121 -9.3018 -9.3018 -9.2195 -9.2195 -8.3147 -8.3147 -8.2112 -8.2112 -7.1730 -7.1730 -7.0104 -7.0104 -6.4302 -6.4302 -6.3318 -6.3318 -6.3118 -6.3118 -6.2649 -6.2649 -4.7616 -4.7616 -4.5213 -4.5213 -4.3344 -4.3344 -4.2261 -4.2261 -4.0540 -4.0540 -4.0113 -4.0113 -0.7596 -0.7596 -0.6217 -0.6217 3.4562 3.4562 3.6722 3.6722 6.5633 6.5633 6.6487 6.6487 6.8189 6.8189 k = 0.2510 0.5085-0.0000 ( 6958 PWs) bands (ev): -21.4871 -21.4871 -21.4855 -21.4855 -15.4310 -15.4310 -15.3896 -15.3896 -14.5697 -14.5697 -14.5145 -14.5145 -9.3006 -9.3006 -9.2214 -9.2214 -8.3008 -8.3008 -8.2008 -8.2008 -7.1666 -7.1666 -7.0100 -7.0100 -6.4273 -6.4273 -6.3251 -6.3251 -6.3052 -6.3052 -6.2611 -6.2611 -4.7622 -4.7622 -4.5182 -4.5182 -4.3417 -4.3417 -4.2416 -4.2416 -4.0542 -4.0542 -4.0144 -4.0144 -0.7545 -0.7545 -0.6202 -0.6202 3.4497 3.4497 3.6595 3.6595 6.5326 6.5326 6.6487 6.6487 6.7844 6.7844 k = 0.2378 0.5085-0.0000 ( 6969 PWs) bands (ev): -21.4878 -21.4878 -21.4862 -21.4862 -15.4320 -15.4320 -15.3902 -15.3902 -14.5715 -14.5715 -14.5169 -14.5169 -9.2995 -9.2995 -9.2233 -9.2233 -8.2866 -8.2866 -8.1903 -8.1903 -7.1602 -7.1602 -7.0098 -7.0098 -6.4242 -6.4242 -6.3187 -6.3187 -6.2988 -6.2988 -6.2573 -6.2573 -4.7628 -4.7628 -4.5152 -4.5152 -4.3485 -4.3485 -4.2566 -4.2566 -4.0545 -4.0545 -4.0179 -4.0179 -0.7495 -0.7495 -0.6188 -0.6188 3.4435 3.4435 3.6467 3.6467 6.5020 6.5020 6.6463 6.6463 6.7517 6.7517 k = 0.2246 0.5085-0.0000 ( 6971 PWs) bands (ev): -21.4885 -21.4885 -21.4869 -21.4869 -15.4330 -15.4330 -15.3908 -15.3908 -14.5732 -14.5732 -14.5193 -14.5193 -9.2983 -9.2983 -9.2252 -9.2252 -8.2724 -8.2724 -8.1799 -8.1799 -7.1538 -7.1538 -7.0099 -7.0099 -6.4208 -6.4208 -6.3125 -6.3125 -6.2927 -6.2927 -6.2534 -6.2534 -4.7631 -4.7631 -4.5123 -4.5123 -4.3548 -4.3548 -4.2711 -4.2711 -4.0552 -4.0552 -4.0216 -4.0216 -0.7448 -0.7448 -0.6175 -0.6175 3.4375 3.4375 3.6339 3.6339 6.4716 6.4716 6.6409 6.6409 6.7208 6.7208 k = 0.2114 0.5085-0.0000 ( 6969 PWs) bands (ev): -21.4892 -21.4892 -21.4876 -21.4876 -15.4341 -15.4341 -15.3914 -15.3914 -14.5750 -14.5750 -14.5215 -14.5215 -9.2971 -9.2971 -9.2272 -9.2272 -8.2581 -8.2581 -8.1695 -8.1695 -7.1475 -7.1475 -7.0103 -7.0103 -6.4172 -6.4172 -6.3067 -6.3067 -6.2870 -6.2870 -6.2494 -6.2494 -4.7634 -4.7634 -4.5094 -4.5094 -4.3606 -4.3606 -4.2849 -4.2849 -4.0561 -4.0561 -4.0255 -4.0255 -0.7402 -0.7402 -0.6163 -0.6163 3.4318 3.4318 3.6211 3.6211 6.4417 6.4417 6.6317 6.6317 6.6919 6.6919 k = 0.1982 0.5085-0.0000 ( 6977 PWs) bands (ev): -21.4899 -21.4899 -21.4883 -21.4883 -15.4350 -15.4350 -15.3919 -15.3919 -14.5767 -14.5767 -14.5238 -14.5238 -9.2958 -9.2958 -9.2291 -9.2291 -8.2440 -8.2440 -8.1592 -8.1592 -7.1413 -7.1413 -7.0109 -7.0109 -6.4135 -6.4135 -6.3012 -6.3012 -6.2816 -6.2816 -6.2454 -6.2454 -4.7635 -4.7635 -4.5067 -4.5067 -4.3659 -4.3659 -4.2981 -4.2981 -4.0575 -4.0575 -4.0294 -4.0294 -0.7358 -0.7358 -0.6153 -0.6153 3.4266 3.4266 3.6083 3.6083 6.4125 6.4125 6.6183 6.6183 6.6649 6.6649 k = 0.1850 0.5085-0.0000 ( 6980 PWs) bands (ev): -21.4906 -21.4906 -21.4890 -21.4890 -15.4360 -15.4360 -15.3924 -15.3924 -14.5784 -14.5784 -14.5259 -14.5259 -9.2946 -9.2946 -9.2310 -9.2310 -8.2299 -8.2299 -8.1492 -8.1492 -7.1353 -7.1353 -7.0117 -7.0117 -6.4097 -6.4097 -6.2960 -6.2960 -6.2765 -6.2765 -6.2414 -6.2414 -4.7635 -4.7635 -4.5041 -4.5041 -4.3706 -4.3706 -4.3106 -4.3106 -4.0594 -4.0594 -4.0332 -4.0332 -0.7316 -0.7316 -0.6145 -0.6145 3.4218 3.4218 3.5957 3.5957 6.3841 6.3841 6.6007 6.6007 6.6398 6.6398 k = 0.1718 0.5085-0.0000 ( 6967 PWs) bands (ev): -21.4912 -21.4912 -21.4896 -21.4896 -15.4369 -15.4369 -15.3929 -15.3929 -14.5801 -14.5801 -14.5279 -14.5279 -9.2933 -9.2933 -9.2329 -9.2329 -8.2162 -8.2162 -8.1396 -8.1396 -7.1293 -7.1293 -7.0127 -7.0127 -6.4058 -6.4058 -6.2912 -6.2912 -6.2719 -6.2719 -6.2376 -6.2376 -4.7633 -4.7633 -4.5015 -4.5015 -4.3748 -4.3748 -4.3224 -4.3224 -4.0619 -4.0619 -4.0366 -4.0366 -0.7276 -0.7276 -0.6137 -0.6137 3.4176 3.4176 3.5834 3.5834 6.3567 6.3567 6.5790 6.5790 6.6167 6.6167 k = 0.1586 0.5085-0.0000 ( 6972 PWs) bands (ev): -21.4918 -21.4918 -21.4902 -21.4902 -15.4377 -15.4377 -15.3934 -15.3934 -14.5817 -14.5817 -14.5299 -14.5299 -9.2921 -9.2921 -9.2348 -9.2348 -8.2028 -8.2028 -8.1303 -8.1303 -7.1236 -7.1236 -7.0139 -7.0139 -6.4019 -6.4019 -6.2868 -6.2868 -6.2676 -6.2676 -6.2338 -6.2338 -4.7631 -4.7631 -4.4992 -4.4992 -4.3785 -4.3785 -4.3334 -4.3334 -4.0650 -4.0650 -4.0396 -4.0396 -0.7239 -0.7239 -0.6131 -0.6131 3.4139 3.4139 3.5714 3.5714 6.3306 6.3306 6.5542 6.5542 6.5957 6.5957 k = 0.1453 0.5085-0.0000 ( 6976 PWs) bands (ev): -21.4924 -21.4924 -21.4908 -21.4908 -15.4386 -15.4386 -15.3939 -15.3939 -14.5833 -14.5833 -14.5317 -14.5317 -9.2908 -9.2908 -9.2367 -9.2367 -8.1900 -8.1900 -8.1216 -8.1216 -7.1181 -7.1181 -7.0152 -7.0152 -6.3982 -6.3982 -6.2828 -6.2828 -6.2637 -6.2637 -6.2301 -6.2301 -4.7629 -4.7629 -4.4969 -4.4969 -4.3816 -4.3816 -4.3435 -4.3435 -4.0687 -4.0687 -4.0421 -4.0421 -0.7205 -0.7205 -0.6126 -0.6126 3.4109 3.4109 3.5597 3.5597 6.3059 6.3059 6.5272 6.5272 6.5767 6.5767 k = 0.1321 0.5085-0.0000 ( 6970 PWs) bands (ev): -21.4930 -21.4930 -21.4914 -21.4914 -15.4393 -15.4393 -15.3943 -15.3943 -14.5847 -14.5847 -14.5334 -14.5334 -9.2895 -9.2895 -9.2385 -9.2385 -8.1777 -8.1777 -8.1134 -8.1134 -7.1128 -7.1128 -7.0167 -7.0167 -6.3945 -6.3945 -6.2792 -6.2792 -6.2601 -6.2601 -6.2266 -6.2266 -4.7626 -4.7626 -4.4948 -4.4948 -4.3842 -4.3842 -4.3527 -4.3527 -4.0729 -4.0729 -4.0442 -4.0442 -0.7173 -0.7173 -0.6122 -0.6122 3.4085 3.4085 3.5485 3.5485 6.2829 6.2829 6.4992 6.4992 6.5598 6.5598 k = 0.1189 0.5085-0.0000 ( 6966 PWs) bands (ev): -21.4935 -21.4935 -21.4919 -21.4919 -15.4400 -15.4400 -15.3946 -15.3946 -14.5861 -14.5861 -14.5350 -14.5350 -9.2882 -9.2882 -9.2403 -9.2403 -8.1662 -8.1662 -8.1058 -8.1058 -7.1079 -7.1079 -7.0183 -7.0183 -6.3910 -6.3910 -6.2760 -6.2760 -6.2570 -6.2570 -6.2233 -6.2233 -4.7622 -4.7622 -4.4929 -4.4929 -4.3865 -4.3865 -4.3610 -4.3610 -4.0773 -4.0773 -4.0460 -4.0460 -0.7144 -0.7144 -0.6119 -0.6119 3.4067 3.4067 3.5378 3.5378 6.2616 6.2616 6.4710 6.4710 6.5450 6.5450 k = 0.1057 0.5085-0.0000 ( 6968 PWs) bands (ev): -21.4940 -21.4940 -21.4924 -21.4924 -15.4407 -15.4407 -15.3950 -15.3950 -14.5873 -14.5873 -14.5364 -14.5364 -9.2870 -9.2870 -9.2420 -9.2420 -8.1554 -8.1554 -8.0989 -8.0989 -7.1032 -7.1032 -7.0200 -7.0200 -6.3878 -6.3878 -6.2732 -6.2732 -6.2543 -6.2543 -6.2203 -6.2203 -4.7618 -4.7618 -4.4912 -4.4912 -4.3884 -4.3884 -4.3684 -4.3684 -4.0818 -4.0818 -4.0474 -4.0474 -0.7118 -0.7118 -0.6116 -0.6116 3.4055 3.4055 3.5277 3.5277 6.2424 6.2424 6.4437 6.4437 6.5322 6.5322 k = 0.0925 0.5085-0.0000 ( 6964 PWs) bands (ev): -21.4944 -21.4944 -21.4928 -21.4928 -15.4412 -15.4412 -15.3953 -15.3953 -14.5885 -14.5885 -14.5377 -14.5377 -9.2858 -9.2858 -9.2436 -9.2436 -8.1456 -8.1456 -8.0928 -8.0928 -7.0989 -7.0989 -7.0217 -7.0217 -6.3848 -6.3848 -6.2707 -6.2707 -6.2519 -6.2519 -6.2175 -6.2175 -4.7614 -4.7614 -4.4896 -4.4896 -4.3902 -4.3902 -4.3745 -4.3745 -4.0861 -4.0861 -4.0486 -4.0486 -0.7094 -0.7094 -0.6115 -0.6115 3.4050 3.4050 3.5183 3.5183 6.2252 6.2252 6.4179 6.4179 6.5216 6.5216 k = 0.0793 0.5085-0.0000 ( 6970 PWs) bands (ev): -21.4948 -21.4948 -21.4932 -21.4932 -15.4417 -15.4417 -15.3956 -15.3956 -14.5895 -14.5895 -14.5388 -14.5388 -9.2847 -9.2847 -9.2451 -9.2451 -8.1368 -8.1368 -8.0875 -8.0875 -7.0950 -7.0950 -7.0233 -7.0233 -6.3821 -6.3821 -6.2686 -6.2686 -6.2498 -6.2498 -6.2150 -6.2150 -4.7611 -4.7611 -4.4883 -4.4883 -4.3921 -4.3921 -4.3794 -4.3794 -4.0903 -4.0903 -4.0497 -4.0497 -0.7074 -0.7074 -0.6113 -0.6113 3.4049 3.4049 3.5096 3.5096 6.2103 6.2103 6.3943 6.3943 6.5130 6.5130 k = 0.0661 0.5085-0.0000 ( 6977 PWs) bands (ev): -21.4951 -21.4951 -21.4935 -21.4935 -15.4422 -15.4422 -15.3958 -15.3958 -14.5903 -14.5903 -14.5398 -14.5398 -9.2836 -9.2836 -9.2464 -9.2464 -8.1290 -8.1290 -8.0830 -8.0830 -7.0915 -7.0915 -7.0250 -7.0250 -6.3798 -6.3798 -6.2669 -6.2669 -6.2481 -6.2481 -6.2129 -6.2129 -4.7607 -4.7607 -4.4871 -4.4871 -4.3942 -4.3942 -4.3829 -4.3829 -4.0940 -4.0940 -4.0505 -4.0505 -0.7057 -0.7057 -0.6113 -0.6113 3.4053 3.4053 3.5018 3.5018 6.1976 6.1976 6.3734 6.3734 6.5064 6.5064 k = 0.0529 0.5085-0.0000 ( 6981 PWs) bands (ev): -21.4954 -21.4954 -21.4938 -21.4938 -15.4426 -15.4426 -15.3960 -15.3960 -14.5911 -14.5911 -14.5406 -14.5406 -9.2827 -9.2827 -9.2476 -9.2476 -8.1225 -8.1225 -8.0794 -8.0794 -7.0885 -7.0885 -7.0265 -7.0265 -6.3778 -6.3778 -6.2655 -6.2655 -6.2468 -6.2468 -6.2111 -6.2111 -4.7605 -4.7605 -4.4862 -4.4862 -4.3965 -4.3965 -4.3850 -4.3850 -4.0972 -4.0972 -4.0512 -4.0512 -0.7043 -0.7043 -0.6112 -0.6112 3.4060 3.4060 3.4950 3.4950 6.1873 6.1873 6.3556 6.3556 6.5018 6.5018 k = 0.0396 0.5085-0.0000 ( 6980 PWs) bands (ev): -21.4956 -21.4956 -21.4940 -21.4940 -15.4428 -15.4428 -15.3961 -15.3961 -14.5916 -14.5916 -14.5412 -14.5412 -9.2819 -9.2819 -9.2486 -9.2486 -8.1173 -8.1173 -8.0766 -8.0766 -7.0860 -7.0860 -7.0277 -7.0277 -6.3763 -6.3763 -6.2644 -6.2644 -6.2457 -6.2457 -6.2097 -6.2097 -4.7602 -4.7602 -4.4855 -4.4855 -4.3987 -4.3987 -4.3862 -4.3862 -4.0998 -4.0998 -4.0518 -4.0518 -0.7032 -0.7032 -0.6112 -0.6112 3.4068 3.4068 3.4894 3.4894 6.1793 6.1793 6.3414 6.3414 6.4989 6.4989 k = 0.0264 0.5085-0.0000 ( 6986 PWs) bands (ev): -21.4957 -21.4957 -21.4941 -21.4941 -15.4430 -15.4430 -15.3962 -15.3962 -14.5920 -14.5920 -14.5417 -14.5417 -9.2814 -9.2814 -9.2493 -9.2493 -8.1136 -8.1136 -8.0746 -8.0746 -7.0842 -7.0842 -7.0287 -7.0287 -6.3751 -6.3751 -6.2637 -6.2637 -6.2450 -6.2450 -6.2087 -6.2087 -4.7600 -4.7600 -4.4850 -4.4850 -4.4004 -4.4004 -4.3869 -4.3869 -4.1018 -4.1018 -4.0522 -4.0522 -0.7024 -0.7024 -0.6112 -0.6112 3.4076 3.4076 3.4852 3.4852 6.1736 6.1736 6.3310 6.3310 6.4974 6.4974 k = 0.0132 0.5085-0.0000 ( 6996 PWs) bands (ev): -21.4958 -21.4958 -21.4942 -21.4942 -15.4432 -15.4432 -15.3963 -15.3963 -14.5923 -14.5923 -14.5420 -14.5420 -9.2810 -9.2810 -9.2497 -9.2497 -8.1113 -8.1113 -8.0734 -8.0734 -7.0831 -7.0831 -7.0293 -7.0293 -6.3745 -6.3745 -6.2632 -6.2632 -6.2445 -6.2445 -6.2081 -6.2081 -4.7599 -4.7599 -4.4846 -4.4846 -4.4015 -4.4015 -4.3872 -4.3872 -4.1029 -4.1029 -4.0524 -4.0524 -0.7019 -0.7019 -0.6112 -0.6112 3.4082 3.4082 3.4825 3.4825 6.1702 6.1702 6.3247 6.3247 6.4970 6.4970 k = 0.0000 0.5085-0.0000 ( 6996 PWs) bands (ev): -21.4959 -21.4959 -21.4942 -21.4942 -15.4432 -15.4432 -15.3963 -15.3963 -14.5924 -14.5924 -14.5420 -14.5420 -9.2809 -9.2809 -9.2499 -9.2499 -8.1105 -8.1105 -8.0730 -8.0730 -7.0827 -7.0827 -7.0295 -7.0295 -6.3742 -6.3742 -6.2631 -6.2631 -6.2444 -6.2444 -6.2079 -6.2079 -4.7599 -4.7599 -4.4845 -4.4845 -4.4019 -4.4019 -4.3873 -4.3873 -4.1033 -4.1033 -4.0525 -4.0525 -0.7017 -0.7017 -0.6112 -0.6112 3.4084 3.4084 3.4816 3.4816 6.1691 6.1691 6.3226 6.3226 6.4969 6.4969 k = 0.0000 0.5085-0.0000 ( 6996 PWs) bands (ev): -21.4959 -21.4959 -21.4942 -21.4942 -15.4432 -15.4432 -15.3963 -15.3963 -14.5924 -14.5924 -14.5420 -14.5420 -9.2809 -9.2809 -9.2499 -9.2499 -8.1105 -8.1105 -8.0730 -8.0730 -7.0827 -7.0827 -7.0295 -7.0295 -6.3742 -6.3742 -6.2631 -6.2631 -6.2444 -6.2444 -6.2079 -6.2079 -4.7599 -4.7599 -4.4845 -4.4845 -4.4019 -4.4019 -4.3873 -4.3873 -4.1033 -4.1033 -4.0525 -4.0525 -0.7017 -0.7017 -0.6112 -0.6112 3.4084 3.4084 3.4816 3.4816 6.1691 6.1691 6.3226 6.3226 6.4969 6.4969 k = 0.0000 0.5085 0.0131 ( 6988 PWs) bands (ev): -21.4959 -21.4959 -21.4943 -21.4943 -15.4431 -15.4431 -15.3965 -15.3965 -14.5922 -14.5922 -14.5422 -14.5422 -9.2808 -9.2808 -9.2500 -9.2500 -8.1104 -8.1104 -8.0731 -8.0731 -7.0825 -7.0825 -7.0296 -7.0296 -6.3738 -6.3738 -6.2630 -6.2630 -6.2445 -6.2445 -6.2083 -6.2083 -4.7594 -4.7594 -4.4859 -4.4859 -4.4015 -4.4015 -4.3872 -4.3872 -4.1030 -4.1030 -4.0525 -4.0525 -0.7015 -0.7015 -0.6115 -0.6115 3.4086 3.4086 3.4815 3.4815 6.1691 6.1691 6.3215 6.3215 6.4971 6.4971 k = 0.0000 0.5085 0.0263 ( 6982 PWs) bands (ev): -21.4959 -21.4959 -21.4943 -21.4943 -15.4427 -15.4427 -15.3969 -15.3969 -14.5918 -14.5918 -14.5425 -14.5425 -9.2805 -9.2805 -9.2502 -9.2502 -8.1102 -8.1102 -8.0736 -8.0736 -7.0818 -7.0818 -7.0297 -7.0297 -6.3726 -6.3726 -6.2629 -6.2629 -6.2447 -6.2447 -6.2097 -6.2097 -4.7578 -4.7578 -4.4897 -4.4897 -4.4005 -4.4005 -4.3871 -4.3871 -4.1018 -4.1018 -4.0525 -4.0525 -0.7007 -0.7007 -0.6122 -0.6122 3.4092 3.4092 3.4809 3.4809 6.1693 6.1693 6.3184 6.3184 6.4978 6.4978 k = 0.0000 0.5085 0.0394 ( 6988 PWs) bands (ev): -21.4958 -21.4958 -21.4943 -21.4943 -15.4421 -15.4421 -15.3976 -15.3976 -14.5911 -14.5911 -14.5432 -14.5432 -9.2801 -9.2801 -9.2507 -9.2507 -8.1099 -8.1099 -8.0743 -8.0743 -7.0808 -7.0808 -7.0300 -7.0300 -6.3707 -6.3707 -6.2626 -6.2626 -6.2451 -6.2451 -6.2120 -6.2120 -4.7552 -4.7552 -4.4959 -4.4959 -4.3990 -4.3990 -4.3868 -4.3868 -4.1000 -4.1000 -4.0525 -4.0525 -0.6994 -0.6994 -0.6133 -0.6133 3.4102 3.4102 3.4799 3.4799 6.1696 6.1696 6.3134 6.3134 6.4988 6.4988 k = 0.0000 0.5085 0.0525 ( 6992 PWs) bands (ev): -21.4958 -21.4958 -21.4943 -21.4943 -15.4413 -15.4413 -15.3985 -15.3985 -14.5901 -14.5901 -14.5441 -14.5441 -9.2796 -9.2796 -9.2513 -9.2513 -8.1095 -8.1095 -8.0752 -8.0752 -7.0793 -7.0793 -7.0305 -7.0305 -6.3679 -6.3679 -6.2623 -6.2623 -6.2456 -6.2456 -6.2152 -6.2152 -4.7515 -4.7515 -4.5040 -4.5040 -4.3972 -4.3972 -4.3865 -4.3865 -4.0976 -4.0976 -4.0526 -4.0526 -0.6976 -0.6976 -0.6149 -0.6149 3.4116 3.4116 3.4786 3.4786 6.1700 6.1700 6.3068 6.3068 6.5003 6.5003 k = 0.0000 0.5085 0.0656 ( 6984 PWs) bands (ev): -21.4958 -21.4958 -21.4944 -21.4944 -15.4403 -15.4403 -15.3997 -15.3997 -14.5888 -14.5888 -14.5452 -14.5452 -9.2789 -9.2789 -9.2520 -9.2520 -8.1089 -8.1089 -8.0764 -8.0764 -7.0774 -7.0774 -7.0311 -7.0311 -6.3644 -6.3644 -6.2619 -6.2619 -6.2463 -6.2463 -6.2191 -6.2191 -4.7468 -4.7468 -4.5137 -4.5137 -4.3953 -4.3953 -4.3861 -4.3861 -4.0947 -4.0947 -4.0527 -4.0527 -0.6953 -0.6953 -0.6170 -0.6170 3.4134 3.4134 3.4769 3.4769 6.1708 6.1708 6.2988 6.2988 6.5020 6.5020 k = 0.0000 0.5085 0.0788 ( 6980 PWs) bands (ev): -21.4957 -21.4957 -21.4944 -21.4944 -15.4390 -15.4390 -15.4011 -15.4011 -14.5873 -14.5873 -14.5465 -14.5465 -9.2780 -9.2780 -9.2529 -9.2529 -8.1081 -8.1081 -8.0778 -8.0778 -7.0753 -7.0753 -7.0318 -7.0318 -6.3601 -6.3601 -6.2614 -6.2614 -6.2471 -6.2471 -6.2238 -6.2238 -4.7410 -4.7410 -4.5248 -4.5248 -4.3934 -4.3934 -4.3857 -4.3857 -4.0914 -4.0914 -4.0529 -4.0529 -0.6927 -0.6927 -0.6195 -0.6195 3.4155 3.4155 3.4748 3.4748 6.1718 6.1718 6.2898 6.2898 6.5041 6.5041 k = 0.0000 0.5085 0.0919 ( 6980 PWs) bands (ev): -21.4957 -21.4957 -21.4945 -21.4945 -15.4375 -15.4375 -15.4027 -15.4027 -14.5855 -14.5855 -14.5481 -14.5481 -9.2770 -9.2770 -9.2540 -9.2540 -8.1072 -8.1072 -8.0794 -8.0794 -7.0728 -7.0728 -7.0328 -7.0328 -6.3551 -6.3551 -6.2609 -6.2609 -6.2483 -6.2483 -6.2291 -6.2291 -4.7343 -4.7343 -4.5370 -4.5370 -4.3917 -4.3917 -4.3853 -4.3853 -4.0879 -4.0879 -4.0532 -4.0532 -0.6896 -0.6896 -0.6223 -0.6223 3.4180 3.4180 3.4725 3.4725 6.1732 6.1732 6.2801 6.2801 6.5063 6.5063 k = 0.0000 0.5085 0.1050 ( 6974 PWs) bands (ev): -21.4956 -21.4956 -21.4945 -21.4945 -15.4358 -15.4358 -15.4045 -15.4045 -14.5836 -14.5836 -14.5499 -14.5499 -9.2759 -9.2759 -9.2552 -9.2552 -8.1062 -8.1062 -8.0811 -8.0811 -7.0701 -7.0701 -7.0340 -7.0340 -6.3495 -6.3495 -6.2604 -6.2604 -6.2498 -6.2498 -6.2346 -6.2346 -4.7265 -4.7265 -4.5499 -4.5499 -4.3901 -4.3901 -4.3848 -4.3848 -4.0843 -4.0843 -4.0536 -4.0536 -0.6861 -0.6861 -0.6255 -0.6255 3.4208 3.4208 3.4698 3.4698 6.1750 6.1750 6.2701 6.2701 6.5087 6.5087 k = 0.0000 0.5085 0.1181 ( 6974 PWs) bands (ev): -21.4955 -21.4955 -21.4946 -21.4946 -15.4340 -15.4340 -15.4065 -15.4065 -14.5815 -14.5815 -14.5519 -14.5519 -9.2747 -9.2747 -9.2564 -9.2564 -8.1050 -8.1050 -8.0830 -8.0830 -7.0672 -7.0672 -7.0354 -7.0354 -6.3432 -6.3432 -6.2600 -6.2600 -6.2521 -6.2521 -6.2399 -6.2399 -4.7178 -4.7178 -4.5635 -4.5635 -4.3886 -4.3886 -4.3844 -4.3844 -4.0806 -4.0806 -4.0542 -4.0542 -0.6823 -0.6823 -0.6291 -0.6291 3.4238 3.4238 3.4669 3.4669 6.1774 6.1774 6.2598 6.2598 6.5111 6.5111 k = 0.0000 0.5085 0.1313 ( 6966 PWs) bands (ev): -21.4955 -21.4955 -21.4946 -21.4946 -15.4320 -15.4320 -15.4086 -15.4086 -14.5792 -14.5792 -14.5540 -14.5540 -9.2734 -9.2734 -9.2578 -9.2578 -8.1037 -8.1037 -8.0850 -8.0850 -7.0641 -7.0641 -7.0370 -7.0370 -6.3363 -6.3363 -6.2605 -6.2605 -6.2550 -6.2550 -6.2441 -6.2441 -4.7082 -4.7082 -4.5776 -4.5776 -4.3874 -4.3874 -4.3841 -4.3841 -4.0770 -4.0770 -4.0549 -4.0549 -0.6782 -0.6782 -0.6330 -0.6330 3.4271 3.4271 3.4637 3.4637 6.1804 6.1804 6.2497 6.2497 6.5136 6.5136 k = 0.0000 0.5085 0.1444 ( 6970 PWs) bands (ev): -21.4954 -21.4954 -21.4947 -21.4947 -15.4299 -15.4299 -15.4108 -15.4108 -14.5768 -14.5768 -14.5563 -14.5563 -9.2719 -9.2719 -9.2593 -9.2593 -8.1023 -8.1023 -8.0870 -8.0870 -7.0610 -7.0610 -7.0389 -7.0389 -6.3290 -6.3290 -6.2646 -6.2646 -6.2562 -6.2562 -6.2469 -6.2469 -4.6977 -4.6977 -4.5919 -4.5919 -4.3863 -4.3863 -4.3838 -4.3838 -4.0736 -4.0736 -4.0559 -4.0559 -0.6739 -0.6739 -0.6371 -0.6371 3.4305 3.4305 3.4604 3.4604 6.1840 6.1840 6.2399 6.2399 6.5161 6.5161 k = 0.0000 0.5085 0.1575 ( 6962 PWs) bands (ev): -21.4953 -21.4953 -21.4948 -21.4948 -15.4277 -15.4277 -15.4132 -15.4132 -14.5742 -14.5742 -14.5587 -14.5587 -9.2704 -9.2704 -9.2609 -9.2609 -8.1007 -8.1007 -8.0891 -8.0891 -7.0579 -7.0579 -7.0411 -7.0411 -6.3212 -6.3212 -6.2715 -6.2715 -6.2557 -6.2557 -6.2488 -6.2488 -4.6864 -4.6864 -4.6062 -4.6062 -4.3854 -4.3854 -4.3836 -4.3836 -4.0704 -4.0704 -4.0571 -4.0571 -0.6693 -0.6693 -0.6414 -0.6414 3.4342 3.4342 3.4568 3.4568 6.1884 6.1884 6.2305 6.2305 6.5184 6.5184 k = 0.0000 0.5085 0.1706 ( 6960 PWs) bands (ev): -21.4952 -21.4952 -21.4949 -21.4949 -15.4253 -15.4253 -15.4156 -15.4156 -14.5717 -14.5717 -14.5612 -14.5612 -9.2689 -9.2689 -9.2624 -9.2624 -8.0990 -8.0990 -8.0912 -8.0912 -7.0548 -7.0548 -7.0434 -7.0434 -6.3131 -6.3131 -6.2794 -6.2794 -6.2549 -6.2549 -6.2503 -6.2503 -4.6743 -4.6743 -4.6205 -4.6205 -4.3847 -4.3847 -4.3835 -4.3835 -4.0674 -4.0674 -4.0586 -4.0586 -0.6647 -0.6647 -0.6459 -0.6459 3.4379 3.4379 3.4531 3.4531 6.1935 6.1935 6.2217 6.2217 6.5207 6.5207 k = 0.0000 0.5085 0.1838 ( 6962 PWs) bands (ev): -21.4951 -21.4951 -21.4950 -21.4950 -15.4229 -15.4229 -15.4180 -15.4180 -14.5690 -14.5690 -14.5638 -14.5638 -9.2673 -9.2673 -9.2641 -9.2641 -8.0971 -8.0971 -8.0932 -8.0932 -7.0517 -7.0517 -7.0460 -7.0460 -6.3047 -6.3047 -6.2877 -6.2877 -6.2539 -6.2539 -6.2516 -6.2516 -4.6616 -4.6616 -4.6346 -4.6346 -4.3842 -4.3842 -4.3836 -4.3836 -4.0648 -4.0648 -4.0603 -4.0603 -0.6600 -0.6600 -0.6505 -0.6505 3.4417 3.4417 3.4494 3.4494 6.1994 6.1994 6.2135 6.2135 6.5227 6.5227 k = 0.0000 0.5085 0.1969 ( 6960 PWs) bands (ev): -21.4951 -21.4951 -21.4951 -21.4951 -15.4205 -15.4205 -15.4205 -15.4205 -14.5664 -14.5664 -14.5664 -14.5664 -9.2657 -9.2657 -9.2657 -9.2657 -8.0952 -8.0952 -8.0952 -8.0952 -7.0488 -7.0488 -7.0488 -7.0488 -6.2962 -6.2962 -6.2962 -6.2962 -6.2528 -6.2528 -6.2528 -6.2528 -4.6483 -4.6483 -4.6483 -4.6483 -4.3838 -4.3838 -4.3838 -4.3838 -4.0624 -4.0624 -4.0624 -4.0624 -0.6553 -0.6553 -0.6553 -0.6553 3.4455 3.4455 3.4455 3.4455 6.2061 6.2061 6.2061 6.2061 6.5246 6.5246 k = 0.0000 0.5085 0.1969 ( 6960 PWs) bands (ev): -21.4951 -21.4951 -21.4951 -21.4951 -15.4205 -15.4205 -15.4205 -15.4205 -14.5664 -14.5664 -14.5664 -14.5664 -9.2657 -9.2657 -9.2657 -9.2657 -8.0952 -8.0952 -8.0952 -8.0952 -7.0488 -7.0488 -7.0488 -7.0488 -6.2962 -6.2962 -6.2962 -6.2962 -6.2528 -6.2528 -6.2528 -6.2528 -4.6483 -4.6483 -4.6483 -4.6483 -4.3838 -4.3838 -4.3838 -4.3838 -4.0624 -4.0624 -4.0624 -4.0624 -0.6553 -0.6553 -0.6553 -0.6553 3.4455 3.4455 3.4455 3.4455 6.2061 6.2061 6.2061 6.2061 6.5246 6.5246 k = 0.0132 0.5085 0.1969 ( 6956 PWs) bands (ev): -21.4950 -21.4950 -21.4950 -21.4950 -15.4204 -15.4204 -15.4204 -15.4204 -14.5663 -14.5663 -14.5663 -14.5663 -9.2657 -9.2657 -9.2657 -9.2657 -8.0958 -8.0958 -8.0958 -8.0958 -7.0489 -7.0489 -7.0489 -7.0489 -6.2964 -6.2964 -6.2964 -6.2964 -6.2529 -6.2529 -6.2529 -6.2529 -4.6484 -4.6484 -4.6484 -4.6484 -4.3837 -4.3837 -4.3833 -4.3833 -4.0624 -4.0624 -4.0621 -4.0621 -0.6553 -0.6553 -0.6553 -0.6553 3.4458 3.4458 3.4459 3.4459 6.2077 6.2077 6.2077 6.2077 6.5257 6.5257 k = 0.0264 0.5085 0.1969 ( 6962 PWs) bands (ev): -21.4949 -21.4949 -21.4949 -21.4949 -15.4204 -15.4204 -15.4204 -15.4204 -14.5661 -14.5661 -14.5661 -14.5661 -9.2656 -9.2656 -9.2656 -9.2656 -8.0976 -8.0976 -8.0975 -8.0975 -7.0492 -7.0492 -7.0491 -7.0491 -6.2972 -6.2972 -6.2971 -6.2971 -6.2533 -6.2533 -6.2532 -6.2532 -4.6487 -4.6487 -4.6487 -4.6487 -4.3828 -4.3828 -4.3821 -4.3821 -4.0621 -4.0621 -4.0614 -4.0614 -0.6556 -0.6556 -0.6556 -0.6556 3.4468 3.4468 3.4469 3.4469 6.2124 6.2124 6.2125 6.2125 6.5287 6.5287 k = 0.0396 0.5085 0.1969 ( 6962 PWs) bands (ev): -21.4948 -21.4948 -21.4948 -21.4948 -15.4202 -15.4202 -15.4202 -15.4202 -14.5656 -14.5656 -14.5656 -14.5656 -9.2656 -9.2656 -9.2656 -9.2656 -8.1004 -8.1004 -8.1004 -8.1004 -7.0496 -7.0496 -7.0496 -7.0496 -6.2984 -6.2984 -6.2983 -6.2983 -6.2538 -6.2538 -6.2537 -6.2537 -4.6493 -4.6493 -4.6492 -4.6492 -4.3812 -4.3812 -4.3802 -4.3802 -4.0615 -4.0615 -4.0605 -4.0605 -0.6560 -0.6560 -0.6560 -0.6560 3.4484 3.4484 3.4485 3.4485 6.2203 6.2203 6.2204 6.2204 6.5338 6.5338 k = 0.0529 0.5085 0.1969 ( 6966 PWs) bands (ev): -21.4946 -21.4946 -21.4946 -21.4946 -15.4200 -15.4200 -15.4200 -15.4200 -14.5650 -14.5650 -14.5650 -14.5650 -9.2655 -9.2655 -9.2655 -9.2655 -8.1045 -8.1045 -8.1045 -8.1045 -7.0503 -7.0503 -7.0503 -7.0503 -6.3001 -6.3001 -6.3000 -6.3000 -6.2546 -6.2546 -6.2545 -6.2545 -4.6500 -4.6500 -4.6498 -4.6498 -4.3790 -4.3790 -4.3776 -4.3776 -4.0606 -4.0606 -4.0593 -4.0593 -0.6566 -0.6566 -0.6566 -0.6566 3.4507 3.4507 3.4508 3.4508 6.2313 6.2313 6.2313 6.2313 6.5409 6.5410 k = 0.0661 0.5085 0.1969 ( 6970 PWs) bands (ev): -21.4943 -21.4943 -21.4943 -21.4943 -15.4197 -15.4197 -15.4197 -15.4197 -14.5643 -14.5643 -14.5643 -14.5643 -9.2654 -9.2654 -9.2653 -9.2653 -8.1096 -8.1096 -8.1096 -8.1096 -7.0512 -7.0512 -7.0511 -7.0511 -6.3022 -6.3022 -6.3021 -6.3021 -6.2557 -6.2557 -6.2555 -6.2555 -4.6508 -4.6508 -4.6506 -4.6506 -4.3761 -4.3761 -4.3743 -4.3743 -4.0595 -4.0595 -4.0579 -4.0579 -0.6574 -0.6574 -0.6574 -0.6574 3.4536 3.4536 3.4538 3.4538 6.2451 6.2451 6.2452 6.2452 6.5500 6.5500 k = 0.0793 0.5085 0.1969 ( 6974 PWs) bands (ev): -21.4940 -21.4940 -21.4940 -21.4940 -15.4194 -15.4194 -15.4194 -15.4194 -14.5634 -14.5634 -14.5634 -14.5634 -9.2652 -9.2652 -9.2652 -9.2652 -8.1157 -8.1157 -8.1157 -8.1157 -7.0522 -7.0522 -7.0521 -7.0521 -6.3047 -6.3047 -6.3046 -6.3046 -6.2570 -6.2570 -6.2568 -6.2568 -4.6518 -4.6518 -4.6516 -4.6516 -4.3724 -4.3724 -4.3704 -4.3704 -4.0582 -4.0582 -4.0562 -4.0562 -0.6584 -0.6584 -0.6583 -0.6583 3.4571 3.4571 3.4574 3.4574 6.2618 6.2618 6.2619 6.2619 6.5610 6.5611 k = 0.0925 0.5085 0.1969 ( 6970 PWs) bands (ev): -21.4936 -21.4936 -21.4936 -21.4936 -15.4190 -15.4190 -15.4190 -15.4190 -14.5623 -14.5623 -14.5623 -14.5623 -9.2650 -9.2650 -9.2650 -9.2650 -8.1228 -8.1228 -8.1228 -8.1228 -7.0535 -7.0535 -7.0534 -7.0534 -6.3077 -6.3077 -6.3075 -6.3075 -6.2585 -6.2585 -6.2583 -6.2583 -4.6529 -4.6529 -4.6527 -4.6527 -4.3681 -4.3681 -4.3658 -4.3658 -4.0566 -4.0566 -4.0544 -4.0544 -0.6595 -0.6595 -0.6594 -0.6594 3.4613 3.4613 3.4616 3.4616 6.2811 6.2811 6.2812 6.2812 6.5740 6.5740 k = 0.1057 0.5085 0.1969 ( 6974 PWs) bands (ev): -21.4932 -21.4932 -21.4932 -21.4932 -15.4185 -15.4185 -15.4185 -15.4185 -14.5612 -14.5612 -14.5611 -14.5611 -9.2649 -9.2649 -9.2648 -9.2648 -8.1308 -8.1308 -8.1308 -8.1308 -7.0549 -7.0549 -7.0548 -7.0548 -6.3110 -6.3110 -6.3108 -6.3108 -6.2604 -6.2604 -6.2602 -6.2602 -4.6540 -4.6540 -4.6538 -4.6538 -4.3632 -4.3632 -4.3605 -4.3605 -4.0549 -4.0549 -4.0524 -4.0524 -0.6608 -0.6608 -0.6607 -0.6607 3.4661 3.4661 3.4664 3.4664 6.3028 6.3028 6.3029 6.3029 6.5887 6.5887 k = 0.1189 0.5085 0.1969 ( 6968 PWs) bands (ev): -21.4927 -21.4927 -21.4927 -21.4927 -15.4180 -15.4180 -15.4180 -15.4180 -14.5598 -14.5598 -14.5598 -14.5598 -9.2646 -9.2646 -9.2646 -9.2646 -8.1396 -8.1396 -8.1396 -8.1396 -7.0565 -7.0565 -7.0565 -7.0565 -6.3146 -6.3146 -6.3144 -6.3144 -6.2625 -6.2625 -6.2623 -6.2623 -4.6553 -4.6553 -4.6550 -4.6550 -4.3575 -4.3575 -4.3546 -4.3546 -4.0530 -4.0530 -4.0503 -4.0503 -0.6623 -0.6623 -0.6622 -0.6622 3.4716 3.4716 3.4719 3.4719 6.3268 6.3268 6.3269 6.3269 6.6051 6.6052 k = 0.1321 0.5085 0.1969 ( 6968 PWs) bands (ev): -21.4922 -21.4922 -21.4922 -21.4922 -15.4175 -15.4175 -15.4175 -15.4175 -14.5584 -14.5584 -14.5584 -14.5584 -9.2644 -9.2644 -9.2644 -9.2644 -8.1492 -8.1492 -8.1492 -8.1492 -7.0584 -7.0584 -7.0583 -7.0583 -6.3185 -6.3185 -6.3183 -6.3183 -6.2650 -6.2650 -6.2647 -6.2647 -4.6565 -4.6565 -4.6563 -4.6563 -4.3513 -4.3513 -4.3481 -4.3481 -4.0511 -4.0511 -4.0481 -4.0481 -0.6640 -0.6640 -0.6639 -0.6639 3.4776 3.4776 3.4779 3.4779 6.3527 6.3527 6.3529 6.3529 6.6232 6.6233 k = 0.1453 0.5085 0.1969 ( 6964 PWs) bands (ev): -21.4916 -21.4916 -21.4916 -21.4916 -15.4169 -15.4169 -15.4169 -15.4169 -14.5568 -14.5568 -14.5568 -14.5568 -9.2642 -9.2642 -9.2641 -9.2641 -8.1595 -8.1595 -8.1595 -8.1595 -7.0604 -7.0604 -7.0603 -7.0603 -6.3227 -6.3227 -6.3225 -6.3225 -6.2677 -6.2677 -6.2674 -6.2674 -4.6578 -4.6578 -4.6575 -4.6575 -4.3443 -4.3443 -4.3409 -4.3409 -4.0492 -4.0492 -4.0459 -4.0459 -0.6659 -0.6659 -0.6658 -0.6658 3.4842 3.4842 3.4845 3.4845 6.3805 6.3805 6.3806 6.3806 6.6427 6.6429 k = 0.1586 0.5085 0.1969 ( 6962 PWs) bands (ev): -21.4910 -21.4910 -21.4910 -21.4910 -15.4162 -15.4162 -15.4162 -15.4162 -14.5551 -14.5551 -14.5551 -14.5551 -9.2639 -9.2639 -9.2638 -9.2638 -8.1703 -8.1703 -8.1703 -8.1703 -7.0627 -7.0627 -7.0626 -7.0626 -6.3271 -6.3271 -6.3269 -6.3269 -6.2707 -6.2707 -6.2704 -6.2704 -4.6590 -4.6590 -4.6588 -4.6588 -4.3368 -4.3368 -4.3331 -4.3331 -4.0472 -4.0472 -4.0437 -4.0437 -0.6680 -0.6680 -0.6679 -0.6679 3.4913 3.4913 3.4917 3.4917 6.4097 6.4097 6.4099 6.4099 6.6636 6.6636 k = 0.1718 0.5085 0.1969 ( 6952 PWs) bands (ev): -21.4904 -21.4904 -21.4904 -21.4904 -15.4156 -15.4156 -15.4156 -15.4156 -14.5533 -14.5533 -14.5533 -14.5533 -9.2636 -9.2636 -9.2635 -9.2635 -8.1817 -8.1817 -8.1816 -8.1816 -7.0651 -7.0651 -7.0650 -7.0650 -6.3317 -6.3317 -6.3315 -6.3315 -6.2740 -6.2740 -6.2737 -6.2737 -4.6602 -4.6602 -4.6599 -4.6599 -4.3286 -4.3286 -4.3247 -4.3247 -4.0452 -4.0452 -4.0416 -4.0416 -0.6702 -0.6702 -0.6701 -0.6701 3.4989 3.4989 3.4993 3.4993 6.4403 6.4403 6.4405 6.4405 6.6856 6.6858 k = 0.1850 0.5085 0.1969 ( 6954 PWs) bands (ev): -21.4898 -21.4898 -21.4898 -21.4898 -15.4149 -15.4149 -15.4149 -15.4149 -14.5515 -14.5515 -14.5515 -14.5515 -9.2633 -9.2633 -9.2632 -9.2632 -8.1934 -8.1934 -8.1934 -8.1934 -7.0678 -7.0678 -7.0677 -7.0677 -6.3365 -6.3365 -6.3362 -6.3362 -6.2776 -6.2776 -6.2773 -6.2773 -4.6613 -4.6613 -4.6611 -4.6611 -4.3199 -4.3199 -4.3158 -4.3158 -4.0434 -4.0434 -4.0396 -4.0396 -0.6727 -0.6727 -0.6726 -0.6726 3.5069 3.5069 3.5073 3.5073 6.4720 6.4720 6.4721 6.4721 6.7087 6.7087 k = 0.1982 0.5085 0.1969 ( 6950 PWs) bands (ev): -21.4891 -21.4891 -21.4891 -21.4891 -15.4141 -15.4141 -15.4141 -15.4141 -14.5495 -14.5495 -14.5495 -14.5495 -9.2630 -9.2630 -9.2629 -9.2629 -8.2055 -8.2055 -8.2054 -8.2054 -7.0706 -7.0706 -7.0705 -7.0705 -6.3414 -6.3414 -6.3411 -6.3411 -6.2814 -6.2814 -6.2811 -6.2811 -4.6624 -4.6624 -4.6622 -4.6622 -4.3105 -4.3105 -4.3063 -4.3063 -4.0417 -4.0417 -4.0377 -4.0377 -0.6753 -0.6753 -0.6752 -0.6752 3.5153 3.5153 3.5158 3.5158 6.5044 6.5044 6.5045 6.5045 6.7325 6.7325 k = 0.2114 0.5085 0.1969 ( 6952 PWs) bands (ev): -21.4884 -21.4884 -21.4884 -21.4884 -15.4133 -15.4133 -15.4133 -15.4133 -14.5476 -14.5476 -14.5476 -14.5476 -9.2626 -9.2626 -9.2626 -9.2626 -8.2177 -8.2177 -8.2177 -8.2177 -7.0736 -7.0736 -7.0735 -7.0735 -6.3464 -6.3464 -6.3461 -6.3461 -6.2854 -6.2854 -6.2851 -6.2851 -4.6634 -4.6634 -4.6632 -4.6632 -4.3007 -4.3007 -4.2963 -4.2963 -4.0401 -4.0401 -4.0360 -4.0360 -0.6781 -0.6781 -0.6780 -0.6780 3.5241 3.5241 3.5245 3.5245 6.5375 6.5375 6.5376 6.5376 6.7570 6.7570 k = 0.2246 0.5085 0.1969 ( 6950 PWs) bands (ev): -21.4877 -21.4877 -21.4877 -21.4877 -15.4125 -15.4125 -15.4125 -15.4125 -14.5456 -14.5456 -14.5456 -14.5456 -9.2623 -9.2623 -9.2623 -9.2623 -8.2301 -8.2301 -8.2301 -8.2301 -7.0768 -7.0768 -7.0767 -7.0767 -6.3515 -6.3515 -6.3513 -6.3513 -6.2896 -6.2896 -6.2893 -6.2893 -4.6643 -4.6643 -4.6641 -4.6641 -4.2903 -4.2903 -4.2858 -4.2858 -4.0387 -4.0387 -4.0344 -4.0344 -0.6811 -0.6811 -0.6810 -0.6810 3.5331 3.5331 3.5336 3.5336 6.5708 6.5708 6.5710 6.5710 6.7820 6.7820 k = 0.2378 0.5085 0.1969 ( 6954 PWs) bands (ev): -21.4870 -21.4870 -21.4870 -21.4870 -15.4117 -15.4117 -15.4117 -15.4117 -14.5436 -14.5436 -14.5435 -14.5435 -9.2620 -9.2620 -9.2619 -9.2619 -8.2425 -8.2425 -8.2425 -8.2425 -7.0802 -7.0802 -7.0800 -7.0800 -6.3567 -6.3567 -6.3564 -6.3564 -6.2939 -6.2939 -6.2937 -6.2937 -4.6651 -4.6651 -4.6650 -4.6650 -4.2795 -4.2795 -4.2748 -4.2748 -4.0375 -4.0375 -4.0331 -4.0331 -0.6843 -0.6843 -0.6842 -0.6842 3.5423 3.5423 3.5428 3.5428 6.6043 6.6043 6.6044 6.6044 6.8073 6.8074 k = 0.2510 0.5085 0.1969 ( 6956 PWs) bands (ev): -21.4863 -21.4863 -21.4863 -21.4863 -15.4109 -15.4109 -15.4109 -15.4109 -14.5415 -14.5415 -14.5415 -14.5415 -9.2616 -9.2616 -9.2616 -9.2616 -8.2549 -8.2549 -8.2549 -8.2549 -7.0836 -7.0836 -7.0835 -7.0835 -6.3619 -6.3619 -6.3617 -6.3617 -6.2983 -6.2983 -6.2981 -6.2981 -4.6659 -4.6659 -4.6657 -4.6657 -4.2682 -4.2682 -4.2635 -4.2635 -4.0365 -4.0365 -4.0321 -4.0321 -0.6876 -0.6876 -0.6875 -0.6875 3.5516 3.5516 3.5520 3.5520 6.6375 6.6375 6.6375 6.6375 6.8331 6.8332 k = 0.2643 0.5085 0.1969 ( 6954 PWs) bands (ev): -21.4856 -21.4856 -21.4856 -21.4856 -15.4101 -15.4101 -15.4101 -15.4101 -14.5395 -14.5395 -14.5395 -14.5395 -9.2613 -9.2613 -9.2612 -9.2612 -8.2671 -8.2671 -8.2671 -8.2671 -7.0871 -7.0871 -7.0870 -7.0870 -6.3672 -6.3672 -6.3670 -6.3670 -6.3028 -6.3028 -6.3025 -6.3025 -4.6665 -4.6665 -4.6664 -4.6664 -4.2565 -4.2565 -4.2517 -4.2517 -4.0357 -4.0357 -4.0313 -4.0313 -0.6911 -0.6911 -0.6910 -0.6910 3.5609 3.5609 3.5614 3.5614 6.6700 6.6700 6.6701 6.6701 6.8594 6.8595 k = 0.2775 0.5085 0.1969 ( 6958 PWs) bands (ev): -21.4849 -21.4849 -21.4849 -21.4849 -15.4092 -15.4092 -15.4092 -15.4092 -14.5375 -14.5375 -14.5375 -14.5375 -9.2609 -9.2609 -9.2609 -9.2609 -8.2791 -8.2791 -8.2791 -8.2791 -7.0908 -7.0908 -7.0907 -7.0907 -6.3725 -6.3725 -6.3723 -6.3723 -6.3072 -6.3072 -6.3070 -6.3070 -4.6671 -4.6671 -4.6669 -4.6669 -4.2445 -4.2445 -4.2397 -4.2397 -4.0352 -4.0352 -4.0307 -4.0307 -0.6947 -0.6947 -0.6946 -0.6946 3.5702 3.5702 3.5706 3.5706 6.7015 6.7015 6.7015 6.7015 6.8865 6.8869 k = 0.2907 0.5085 0.1969 ( 6958 PWs) bands (ev): -21.4842 -21.4842 -21.4842 -21.4842 -15.4084 -15.4084 -15.4084 -15.4084 -14.5355 -14.5355 -14.5355 -14.5355 -9.2606 -9.2606 -9.2606 -9.2606 -8.2908 -8.2908 -8.2908 -8.2908 -7.0945 -7.0945 -7.0944 -7.0944 -6.3779 -6.3779 -6.3776 -6.3776 -6.3115 -6.3115 -6.3113 -6.3113 -4.6675 -4.6675 -4.6674 -4.6674 -4.2322 -4.2322 -4.2274 -4.2274 -4.0350 -4.0350 -4.0305 -4.0305 -0.6984 -0.6984 -0.6983 -0.6983 3.5793 3.5793 3.5796 3.5796 6.7314 6.7314 6.7314 6.7314 6.9149 6.9150 k = 0.3039 0.5085 0.1969 ( 6954 PWs) bands (ev): -21.4835 -21.4835 -21.4835 -21.4835 -15.4075 -15.4075 -15.4075 -15.4075 -14.5336 -14.5336 -14.5336 -14.5336 -9.2603 -9.2603 -9.2602 -9.2602 -8.3021 -8.3021 -8.3021 -8.3021 -7.0982 -7.0982 -7.0981 -7.0981 -6.3832 -6.3832 -6.3830 -6.3830 -6.3157 -6.3157 -6.3155 -6.3155 -4.6678 -4.6678 -4.6677 -4.6677 -4.2197 -4.2197 -4.2149 -4.2149 -4.0350 -4.0350 -4.0305 -4.0305 -0.7022 -0.7022 -0.7021 -0.7021 3.5881 3.5881 3.5884 3.5884 6.7593 6.7593 6.7593 6.7593 6.9449 6.9449 k = 0.3171 0.5085 0.1969 ( 6964 PWs) bands (ev): -21.4829 -21.4829 -21.4829 -21.4829 -15.4067 -15.4067 -15.4067 -15.4067 -14.5317 -14.5317 -14.5317 -14.5317 -9.2600 -9.2600 -9.2599 -9.2599 -8.3129 -8.3129 -8.3129 -8.3129 -7.1019 -7.1019 -7.1018 -7.1018 -6.3886 -6.3886 -6.3884 -6.3884 -6.3197 -6.3197 -6.3195 -6.3195 -4.6681 -4.6681 -4.6680 -4.6680 -4.2070 -4.2070 -4.2023 -4.2023 -4.0352 -4.0352 -4.0308 -4.0308 -0.7060 -0.7060 -0.7060 -0.7060 3.5966 3.5966 3.5969 3.5969 6.7848 6.7848 6.7848 6.7848 6.9769 6.9771 k = 0.3303 0.5085 0.1969 ( 6976 PWs) bands (ev): -21.4823 -21.4823 -21.4823 -21.4823 -15.4059 -15.4059 -15.4059 -15.4059 -14.5300 -14.5300 -14.5300 -14.5300 -9.2597 -9.2597 -9.2596 -9.2596 -8.3232 -8.3232 -8.3232 -8.3232 -7.1056 -7.1056 -7.1055 -7.1055 -6.3940 -6.3940 -6.3939 -6.3939 -6.3235 -6.3235 -6.3233 -6.3233 -4.6683 -4.6683 -4.6682 -4.6682 -4.1943 -4.1943 -4.1897 -4.1897 -4.0356 -4.0356 -4.0313 -4.0313 -0.7100 -0.7100 -0.7099 -0.7099 3.6046 3.6046 3.6049 3.6049 6.8076 6.8076 6.8076 6.8076 7.0113 7.0114 k = 0.3435 0.5085 0.1969 ( 6982 PWs) bands (ev): -21.4817 -21.4817 -21.4817 -21.4817 -15.4051 -15.4051 -15.4051 -15.4051 -14.5283 -14.5283 -14.5283 -14.5283 -9.2594 -9.2594 -9.2594 -9.2594 -8.3329 -8.3329 -8.3329 -8.3329 -7.1092 -7.1092 -7.1091 -7.1091 -6.3994 -6.3994 -6.3993 -6.3993 -6.3270 -6.3270 -6.3269 -6.3269 -4.6684 -4.6684 -4.6684 -4.6684 -4.1817 -4.1817 -4.1773 -4.1773 -4.0362 -4.0362 -4.0320 -4.0320 -0.7140 -0.7140 -0.7139 -0.7139 3.6120 3.6120 3.6123 3.6123 6.8276 6.8276 6.8278 6.8278 7.0481 7.0482 k = 0.3568 0.5085 0.1969 ( 6986 PWs) bands (ev): -21.4812 -21.4812 -21.4812 -21.4812 -15.4043 -15.4043 -15.4043 -15.4043 -14.5268 -14.5268 -14.5268 -14.5268 -9.2592 -9.2592 -9.2591 -9.2591 -8.3420 -8.3420 -8.3420 -8.3420 -7.1126 -7.1126 -7.1125 -7.1125 -6.4048 -6.4048 -6.4047 -6.4047 -6.3302 -6.3302 -6.3301 -6.3301 -4.6685 -4.6685 -4.6684 -4.6684 -4.1692 -4.1692 -4.1651 -4.1651 -4.0367 -4.0367 -4.0328 -4.0328 -0.7180 -0.7180 -0.7179 -0.7179 3.6189 3.6189 3.6191 3.6191 6.8451 6.8451 6.8452 6.8452 7.0873 7.0874 k = 0.3700 0.5085 0.1969 ( 6986 PWs) bands (ev): -21.4807 -21.4807 -21.4807 -21.4807 -15.4035 -15.4035 -15.4035 -15.4035 -14.5253 -14.5253 -14.5253 -14.5253 -9.2589 -9.2589 -9.2589 -9.2589 -8.3503 -8.3503 -8.3503 -8.3503 -7.1159 -7.1159 -7.1158 -7.1158 -6.4102 -6.4102 -6.4100 -6.4100 -6.3330 -6.3330 -6.3329 -6.3329 -4.6684 -4.6684 -4.6684 -4.6684 -4.1570 -4.1570 -4.1533 -4.1533 -4.0371 -4.0371 -4.0336 -4.0336 -0.7220 -0.7220 -0.7219 -0.7219 3.6250 3.6250 3.6252 3.6252 6.8601 6.8601 6.8603 6.8603 7.1287 7.1288 k = 0.3832 0.5085 0.1969 ( 6990 PWs) bands (ev): -21.4803 -21.4803 -21.4803 -21.4803 -15.4028 -15.4028 -15.4028 -15.4028 -14.5240 -14.5240 -14.5240 -14.5240 -9.2587 -9.2587 -9.2587 -9.2587 -8.3578 -8.3578 -8.3578 -8.3578 -7.1190 -7.1190 -7.1189 -7.1189 -6.4154 -6.4154 -6.4153 -6.4153 -6.3355 -6.3355 -6.3354 -6.3354 -4.6683 -4.6683 -4.6683 -4.6683 -4.1453 -4.1453 -4.1422 -4.1422 -4.0373 -4.0373 -4.0343 -4.0343 -0.7260 -0.7260 -0.7259 -0.7259 3.6303 3.6303 3.6305 3.6305 6.8728 6.8728 6.8729 6.8729 7.1719 7.1720 k = 0.3964 0.5085 0.1969 ( 6990 PWs) bands (ev): -21.4799 -21.4799 -21.4799 -21.4799 -15.4021 -15.4021 -15.4021 -15.4021 -14.5228 -14.5228 -14.5228 -14.5228 -9.2586 -9.2586 -9.2586 -9.2586 -8.3646 -8.3646 -8.3646 -8.3646 -7.1218 -7.1218 -7.1218 -7.1218 -6.4206 -6.4206 -6.4205 -6.4205 -6.3376 -6.3376 -6.3376 -6.3376 -4.6681 -4.6681 -4.6681 -4.6681 -4.1345 -4.1345 -4.1322 -4.1322 -4.0368 -4.0368 -4.0345 -4.0345 -0.7299 -0.7299 -0.7299 -0.7299 3.6348 3.6348 3.6349 3.6349 6.8831 6.8831 6.8832 6.8832 7.2164 7.2165 k = 0.4096 0.5085 0.1969 ( 6988 PWs) bands (ev): -21.4795 -21.4795 -21.4795 -21.4795 -15.4014 -15.4014 -15.4014 -15.4014 -14.5218 -14.5218 -14.5218 -14.5218 -9.2585 -9.2585 -9.2585 -9.2585 -8.3705 -8.3705 -8.3705 -8.3705 -7.1244 -7.1244 -7.1244 -7.1244 -6.4256 -6.4256 -6.4256 -6.4256 -6.3394 -6.3394 -6.3394 -6.3394 -4.6679 -4.6679 -4.6679 -4.6679 -4.1249 -4.1249 -4.1236 -4.1236 -4.0353 -4.0353 -4.0340 -4.0340 -0.7338 -0.7338 -0.7338 -0.7338 3.6383 3.6383 3.6384 3.6384 6.8909 6.8909 6.8910 6.8910 7.2593 7.2594 k = 0.4228 0.5085 0.1969 ( 6996 PWs) bands (ev): -21.4793 -21.4793 -21.4793 -21.4793 -15.4008 -15.4008 -15.4008 -15.4008 -14.5209 -14.5209 -14.5209 -14.5209 -9.2584 -9.2584 -9.2584 -9.2584 -8.3754 -8.3754 -8.3754 -8.3754 -7.1267 -7.1267 -7.1267 -7.1267 -6.4305 -6.4305 -6.4305 -6.4305 -6.3409 -6.3409 -6.3409 -6.3409 -4.6676 -4.6676 -4.6676 -4.6676 -4.1170 -4.1170 -4.1170 -4.1170 -4.0324 -4.0324 -4.0324 -4.0324 -0.7376 -0.7376 -0.7376 -0.7376 3.6409 3.6409 3.6409 3.6409 6.8960 6.8960 6.8960 6.8960 7.2765 7.2765 k = 0.4228 0.5085 0.1969 ( 6996 PWs) bands (ev): -21.4793 -21.4793 -21.4793 -21.4793 -15.4008 -15.4008 -15.4008 -15.4008 -14.5209 -14.5209 -14.5209 -14.5209 -9.2584 -9.2584 -9.2584 -9.2584 -8.3754 -8.3754 -8.3754 -8.3754 -7.1267 -7.1267 -7.1267 -7.1267 -6.4305 -6.4305 -6.4305 -6.4305 -6.3409 -6.3409 -6.3409 -6.3409 -4.6676 -4.6676 -4.6676 -4.6676 -4.1170 -4.1170 -4.1170 -4.1170 -4.0324 -4.0324 -4.0324 -4.0324 -0.7376 -0.7376 -0.7376 -0.7376 3.6409 3.6409 3.6409 3.6409 6.8960 6.8960 6.8960 6.8960 7.2765 7.2765 k = 0.4144 0.4984 0.1969 ( 6994 PWs) bands (ev): -21.4797 -21.4797 -21.4797 -21.4797 -15.4018 -15.4018 -15.4018 -15.4018 -14.5222 -14.5222 -14.5222 -14.5222 -9.2585 -9.2585 -9.2585 -9.2585 -8.3680 -8.3680 -8.3680 -8.3680 -7.1232 -7.1232 -7.1232 -7.1232 -6.4229 -6.4229 -6.4229 -6.4229 -6.3386 -6.3386 -6.3386 -6.3386 -4.6682 -4.6682 -4.6682 -4.6682 -4.1271 -4.1271 -4.1271 -4.1271 -4.0374 -4.0374 -4.0374 -4.0374 -0.7315 -0.7315 -0.7315 -0.7315 3.6375 3.6375 3.6375 3.6375 6.8877 6.8877 6.8877 6.8877 7.2594 7.2594 k = 0.4059 0.4882 0.1969 ( 6996 PWs) bands (ev): -21.4801 -21.4801 -21.4801 -21.4801 -15.4028 -15.4028 -15.4028 -15.4028 -14.5236 -14.5236 -14.5236 -14.5236 -9.2586 -9.2586 -9.2586 -9.2586 -8.3598 -8.3598 -8.3598 -8.3598 -7.1194 -7.1194 -7.1194 -7.1194 -6.4153 -6.4153 -6.4153 -6.4153 -6.3356 -6.3356 -6.3356 -6.3356 -4.6687 -4.6687 -4.6687 -4.6687 -4.1377 -4.1377 -4.1377 -4.1377 -4.0428 -4.0428 -4.0428 -4.0428 -0.7251 -0.7251 -0.7251 -0.7251 3.6338 3.6338 3.6338 3.6338 6.8719 6.8719 6.8719 6.8719 7.2046 7.2046 k = 0.3974 0.4780 0.1969 ( 7000 PWs) bands (ev): -21.4806 -21.4806 -21.4806 -21.4806 -15.4039 -15.4039 -15.4039 -15.4039 -14.5252 -14.5252 -14.5252 -14.5252 -9.2587 -9.2587 -9.2587 -9.2587 -8.3510 -8.3510 -8.3510 -8.3510 -7.1152 -7.1152 -7.1152 -7.1152 -6.4080 -6.4080 -6.4080 -6.4080 -6.3317 -6.3317 -6.3317 -6.3317 -4.6694 -4.6694 -4.6694 -4.6694 -4.1487 -4.1487 -4.1487 -4.1487 -4.0487 -4.0487 -4.0487 -4.0487 -0.7185 -0.7185 -0.7185 -0.7185 3.6296 3.6296 3.6296 3.6296 6.8459 6.8459 6.8459 6.8459 7.1598 7.1598 k = 0.3890 0.4679 0.1969 ( 6992 PWs) bands (ev): -21.4811 -21.4811 -21.4811 -21.4811 -15.4051 -15.4051 -15.4051 -15.4051 -14.5268 -14.5268 -14.5268 -14.5268 -9.2588 -9.2588 -9.2588 -9.2588 -8.3415 -8.3415 -8.3415 -8.3415 -7.1107 -7.1107 -7.1107 -7.1107 -6.4012 -6.4012 -6.4012 -6.4012 -6.3268 -6.3268 -6.3268 -6.3268 -4.6701 -4.6701 -4.6701 -4.6701 -4.1599 -4.1599 -4.1599 -4.1599 -4.0549 -4.0549 -4.0549 -4.0549 -0.7117 -0.7117 -0.7117 -0.7117 3.6250 3.6250 3.6250 3.6250 6.8081 6.8081 6.8081 6.8081 7.1263 7.1263 k = 0.3805 0.4577 0.1969 ( 6994 PWs) bands (ev): -21.4817 -21.4817 -21.4817 -21.4817 -15.4063 -15.4063 -15.4063 -15.4063 -14.5286 -14.5286 -14.5286 -14.5286 -9.2589 -9.2589 -9.2589 -9.2589 -8.3314 -8.3314 -8.3314 -8.3314 -7.1060 -7.1060 -7.1060 -7.1060 -6.3950 -6.3950 -6.3950 -6.3950 -6.3208 -6.3208 -6.3208 -6.3208 -4.6708 -4.6708 -4.6708 -4.6708 -4.1712 -4.1712 -4.1712 -4.1712 -4.0615 -4.0615 -4.0615 -4.0615 -0.7049 -0.7049 -0.7049 -0.7049 3.6199 3.6199 3.6199 3.6199 6.7592 6.7592 6.7592 6.7592 7.1033 7.1033 k = 0.3721 0.4475 0.1969 ( 6974 PWs) bands (ev): -21.4823 -21.4823 -21.4823 -21.4823 -15.4074 -15.4074 -15.4074 -15.4074 -14.5304 -14.5304 -14.5304 -14.5304 -9.2590 -9.2590 -9.2590 -9.2590 -8.3206 -8.3206 -8.3206 -8.3206 -7.1009 -7.1009 -7.1009 -7.1009 -6.3897 -6.3897 -6.3897 -6.3897 -6.3139 -6.3139 -6.3139 -6.3139 -4.6715 -4.6715 -4.6715 -4.6715 -4.1823 -4.1823 -4.1823 -4.1823 -4.0685 -4.0685 -4.0685 -4.0685 -0.6982 -0.6982 -0.6982 -0.6982 3.6144 3.6144 3.6144 3.6144 6.7020 6.7020 6.7020 6.7020 7.0878 7.0878 k = 0.3636 0.4373 0.1969 ( 6960 PWs) bands (ev): -21.4830 -21.4830 -21.4830 -21.4830 -15.4086 -15.4086 -15.4086 -15.4086 -14.5324 -14.5324 -14.5324 -14.5324 -9.2591 -9.2591 -9.2591 -9.2591 -8.3092 -8.3092 -8.3092 -8.3092 -7.0955 -7.0955 -7.0955 -7.0955 -6.3850 -6.3850 -6.3850 -6.3850 -6.3061 -6.3061 -6.3061 -6.3061 -4.6721 -4.6721 -4.6721 -4.6721 -4.1931 -4.1931 -4.1931 -4.1931 -4.0758 -4.0758 -4.0758 -4.0758 -0.6915 -0.6915 -0.6915 -0.6915 3.6084 3.6084 3.6084 3.6084 6.6390 6.6390 6.6390 6.6390 7.0768 7.0768 k = 0.3552 0.4272 0.1969 ( 6940 PWs) bands (ev): -21.4836 -21.4836 -21.4836 -21.4836 -15.4098 -15.4098 -15.4098 -15.4098 -14.5345 -14.5345 -14.5345 -14.5345 -9.2593 -9.2593 -9.2593 -9.2593 -8.2973 -8.2973 -8.2973 -8.2973 -7.0899 -7.0899 -7.0899 -7.0899 -6.3810 -6.3810 -6.3810 -6.3810 -6.2977 -6.2977 -6.2977 -6.2977 -4.6728 -4.6728 -4.6728 -4.6728 -4.2035 -4.2035 -4.2035 -4.2035 -4.0835 -4.0835 -4.0835 -4.0835 -0.6851 -0.6851 -0.6851 -0.6851 3.6019 3.6019 3.6019 3.6019 6.5727 6.5727 6.5727 6.5727 7.0682 7.0682 k = 0.3467 0.4170 0.1969 ( 6956 PWs) bands (ev): -21.4844 -21.4844 -21.4844 -21.4844 -15.4110 -15.4110 -15.4110 -15.4110 -14.5367 -14.5367 -14.5367 -14.5367 -9.2594 -9.2594 -9.2594 -9.2594 -8.2848 -8.2848 -8.2848 -8.2848 -7.0841 -7.0841 -7.0841 -7.0841 -6.3775 -6.3775 -6.3775 -6.3775 -6.2891 -6.2891 -6.2891 -6.2891 -4.6734 -4.6734 -4.6734 -4.6734 -4.2133 -4.2133 -4.2133 -4.2133 -4.0914 -4.0914 -4.0914 -4.0914 -0.6790 -0.6790 -0.6790 -0.6790 3.5949 3.5949 3.5949 3.5949 6.5042 6.5042 6.5042 6.5042 7.0601 7.0601 k = 0.3383 0.4068 0.1969 ( 6964 PWs) bands (ev): -21.4852 -21.4852 -21.4852 -21.4852 -15.4121 -15.4121 -15.4121 -15.4121 -14.5389 -14.5389 -14.5389 -14.5389 -9.2596 -9.2596 -9.2596 -9.2596 -8.2719 -8.2719 -8.2719 -8.2719 -7.0781 -7.0781 -7.0781 -7.0781 -6.3743 -6.3743 -6.3743 -6.3743 -6.2805 -6.2805 -6.2805 -6.2805 -4.6739 -4.6739 -4.6739 -4.6739 -4.2223 -4.2223 -4.2223 -4.2223 -4.0995 -4.0995 -4.0995 -4.0995 -0.6733 -0.6733 -0.6733 -0.6733 3.5873 3.5873 3.5873 3.5873 6.4346 6.4346 6.4346 6.4346 7.0517 7.0517 k = 0.3298 0.3967 0.1969 ( 6964 PWs) bands (ev): -21.4860 -21.4860 -21.4860 -21.4860 -15.4132 -15.4132 -15.4132 -15.4132 -14.5413 -14.5413 -14.5413 -14.5413 -9.2598 -9.2598 -9.2598 -9.2598 -8.2585 -8.2585 -8.2585 -8.2585 -7.0718 -7.0718 -7.0718 -7.0718 -6.3713 -6.3713 -6.3713 -6.3713 -6.2723 -6.2723 -6.2723 -6.2723 -4.6743 -4.6743 -4.6743 -4.6743 -4.2303 -4.2303 -4.2303 -4.2303 -4.1079 -4.1079 -4.1079 -4.1079 -0.6681 -0.6681 -0.6681 -0.6681 3.5792 3.5792 3.5792 3.5792 6.3645 6.3645 6.3645 6.3645 7.0421 7.0421 k = 0.3213 0.3865 0.1969 ( 6976 PWs) bands (ev): -21.4868 -21.4868 -21.4868 -21.4868 -15.4142 -15.4142 -15.4142 -15.4142 -14.5437 -14.5437 -14.5437 -14.5437 -9.2600 -9.2600 -9.2600 -9.2600 -8.2446 -8.2446 -8.2446 -8.2446 -7.0654 -7.0654 -7.0654 -7.0654 -6.3684 -6.3684 -6.3684 -6.3684 -6.2646 -6.2646 -6.2646 -6.2646 -4.6745 -4.6745 -4.6745 -4.6745 -4.2372 -4.2372 -4.2372 -4.2372 -4.1164 -4.1164 -4.1164 -4.1164 -0.6635 -0.6635 -0.6635 -0.6635 3.5705 3.5705 3.5705 3.5705 6.2943 6.2943 6.2943 6.2943 7.0310 7.0310 k = 0.3129 0.3763 0.1969 ( 6980 PWs) bands (ev): -21.4877 -21.4877 -21.4877 -21.4877 -15.4151 -15.4151 -15.4151 -15.4151 -14.5462 -14.5462 -14.5462 -14.5462 -9.2602 -9.2602 -9.2602 -9.2602 -8.2303 -8.2303 -8.2303 -8.2303 -7.0587 -7.0587 -7.0587 -7.0587 -6.3655 -6.3655 -6.3655 -6.3655 -6.2578 -6.2578 -6.2578 -6.2578 -4.6744 -4.6744 -4.6744 -4.6744 -4.2428 -4.2428 -4.2428 -4.2428 -4.1251 -4.1251 -4.1251 -4.1251 -0.6595 -0.6595 -0.6595 -0.6595 3.5613 3.5613 3.5613 3.5613 6.2242 6.2242 6.2242 6.2242 7.0182 7.0182 k = 0.3044 0.3662 0.1969 ( 6976 PWs) bands (ev): -21.4886 -21.4886 -21.4886 -21.4886 -15.4160 -15.4160 -15.4160 -15.4160 -14.5488 -14.5488 -14.5488 -14.5488 -9.2603 -9.2603 -9.2603 -9.2603 -8.2157 -8.2157 -8.2157 -8.2157 -7.0520 -7.0520 -7.0520 -7.0520 -6.3626 -6.3626 -6.3626 -6.3626 -6.2519 -6.2519 -6.2519 -6.2519 -4.6741 -4.6741 -4.6741 -4.6741 -4.2470 -4.2470 -4.2470 -4.2470 -4.1339 -4.1339 -4.1339 -4.1339 -0.6562 -0.6562 -0.6562 -0.6562 3.5515 3.5515 3.5515 3.5515 6.1545 6.1545 6.1545 6.1545 7.0035 7.0035 k = 0.2960 0.3560 0.1969 ( 6972 PWs) bands (ev): -21.4896 -21.4896 -21.4896 -21.4896 -15.4167 -15.4167 -15.4167 -15.4167 -14.5514 -14.5514 -14.5514 -14.5514 -9.2605 -9.2605 -9.2605 -9.2605 -8.2007 -8.2007 -8.2007 -8.2007 -7.0451 -7.0451 -7.0451 -7.0451 -6.3596 -6.3596 -6.3596 -6.3596 -6.2474 -6.2474 -6.2474 -6.2474 -4.6734 -4.6734 -4.6734 -4.6734 -4.2497 -4.2497 -4.2497 -4.2497 -4.1428 -4.1428 -4.1428 -4.1428 -0.6537 -0.6537 -0.6537 -0.6537 3.5411 3.5411 3.5411 3.5411 6.0853 6.0853 6.0853 6.0853 6.9871 6.9871 k = 0.2875 0.3458 0.1969 ( 6972 PWs) bands (ev): -21.4906 -21.4906 -21.4906 -21.4906 -15.4174 -15.4174 -15.4174 -15.4174 -14.5541 -14.5541 -14.5541 -14.5541 -9.2607 -9.2607 -9.2607 -9.2607 -8.1855 -8.1855 -8.1855 -8.1855 -7.0380 -7.0380 -7.0380 -7.0380 -6.3565 -6.3565 -6.3565 -6.3565 -6.2442 -6.2442 -6.2442 -6.2442 -4.6723 -4.6723 -4.6723 -4.6723 -4.2508 -4.2508 -4.2508 -4.2508 -4.1518 -4.1518 -4.1518 -4.1518 -0.6521 -0.6521 -0.6521 -0.6521 3.5302 3.5302 3.5302 3.5302 6.0167 6.0167 6.0167 6.0167 6.9690 6.9690 k = 0.2791 0.3356 0.1969 ( 6972 PWs) bands (ev): -21.4916 -21.4916 -21.4916 -21.4916 -15.4180 -15.4180 -15.4180 -15.4180 -14.5568 -14.5568 -14.5568 -14.5568 -9.2609 -9.2609 -9.2609 -9.2609 -8.1700 -8.1700 -8.1700 -8.1700 -7.0309 -7.0309 -7.0309 -7.0309 -6.3532 -6.3532 -6.3532 -6.3532 -6.2424 -6.2424 -6.2424 -6.2424 -4.6708 -4.6708 -4.6708 -4.6708 -4.2503 -4.2503 -4.2503 -4.2503 -4.1608 -4.1608 -4.1608 -4.1608 -0.6513 -0.6513 -0.6513 -0.6513 3.5187 3.5187 3.5187 3.5187 5.9488 5.9488 5.9488 5.9488 6.9494 6.9494 k = 0.2706 0.3255 0.1969 ( 6968 PWs) bands (ev): -21.4926 -21.4926 -21.4926 -21.4926 -15.4184 -15.4184 -15.4184 -15.4184 -14.5596 -14.5596 -14.5596 -14.5596 -9.2611 -9.2611 -9.2611 -9.2611 -8.1543 -8.1543 -8.1543 -8.1543 -7.0237 -7.0237 -7.0237 -7.0237 -6.3497 -6.3497 -6.3497 -6.3497 -6.2423 -6.2423 -6.2423 -6.2423 -4.6688 -4.6688 -4.6688 -4.6688 -4.2481 -4.2481 -4.2481 -4.2481 -4.1698 -4.1698 -4.1698 -4.1698 -0.6515 -0.6515 -0.6515 -0.6515 3.5066 3.5066 3.5066 3.5066 5.8817 5.8817 5.8817 5.8817 6.9286 6.9286 k = 0.2621 0.3153 0.1969 ( 6974 PWs) bands (ev): -21.4937 -21.4937 -21.4937 -21.4937 -15.4188 -15.4188 -15.4188 -15.4188 -14.5624 -14.5624 -14.5624 -14.5624 -9.2613 -9.2613 -9.2613 -9.2613 -8.1385 -8.1385 -8.1385 -8.1385 -7.0165 -7.0165 -7.0165 -7.0165 -6.3461 -6.3461 -6.3461 -6.3461 -6.2438 -6.2438 -6.2438 -6.2438 -4.6665 -4.6665 -4.6665 -4.6665 -4.2440 -4.2440 -4.2440 -4.2440 -4.1788 -4.1788 -4.1788 -4.1788 -0.6526 -0.6526 -0.6526 -0.6526 3.4940 3.4940 3.4940 3.4940 5.8154 5.8154 5.8154 5.8154 6.9068 6.9068 k = 0.2537 0.3051 0.1969 ( 6988 PWs) bands (ev): -21.4948 -21.4948 -21.4948 -21.4948 -15.4191 -15.4191 -15.4191 -15.4191 -14.5652 -14.5652 -14.5652 -14.5652 -9.2614 -9.2614 -9.2614 -9.2614 -8.1225 -8.1225 -8.1225 -8.1225 -7.0092 -7.0092 -7.0092 -7.0092 -6.3423 -6.3423 -6.3423 -6.3423 -6.2469 -6.2469 -6.2469 -6.2469 -4.6637 -4.6637 -4.6637 -4.6637 -4.2382 -4.2382 -4.2382 -4.2382 -4.1878 -4.1878 -4.1878 -4.1878 -0.6547 -0.6547 -0.6547 -0.6547 3.4808 3.4808 3.4808 3.4808 5.7501 5.7501 5.7501 5.7501 6.8843 6.8843 k = 0.2452 0.2950 0.1969 ( 6980 PWs) bands (ev): -21.4959 -21.4959 -21.4959 -21.4959 -15.4192 -15.4192 -15.4192 -15.4192 -14.5680 -14.5680 -14.5680 -14.5680 -9.2616 -9.2616 -9.2616 -9.2616 -8.1065 -8.1065 -8.1065 -8.1065 -7.0019 -7.0019 -7.0019 -7.0019 -6.3384 -6.3384 -6.3384 -6.3384 -6.2516 -6.2516 -6.2516 -6.2516 -4.6605 -4.6605 -4.6605 -4.6605 -4.2307 -4.2307 -4.2307 -4.2307 -4.1966 -4.1966 -4.1966 -4.1966 -0.6577 -0.6577 -0.6577 -0.6577 3.4672 3.4672 3.4672 3.4672 5.6858 5.6858 5.6858 5.6858 6.8613 6.8613 k = 0.2368 0.2848 0.1969 ( 6980 PWs) bands (ev): -21.4970 -21.4970 -21.4970 -21.4970 -15.4192 -15.4192 -15.4192 -15.4192 -14.5708 -14.5708 -14.5708 -14.5708 -9.2617 -9.2617 -9.2617 -9.2617 -8.0904 -8.0904 -8.0904 -8.0904 -6.9947 -6.9947 -6.9947 -6.9947 -6.3344 -6.3344 -6.3344 -6.3344 -6.2578 -6.2578 -6.2578 -6.2578 -4.6570 -4.6570 -4.6570 -4.6570 -4.2215 -4.2215 -4.2215 -4.2215 -4.2051 -4.2051 -4.2051 -4.2051 -0.6618 -0.6618 -0.6618 -0.6618 3.4531 3.4531 3.4531 3.4531 5.6226 5.6226 5.6226 5.6226 6.8381 6.8381 k = 0.2283 0.2746 0.1969 ( 6980 PWs) bands (ev): -21.4981 -21.4981 -21.4981 -21.4981 -15.4191 -15.4191 -15.4191 -15.4191 -14.5737 -14.5737 -14.5737 -14.5737 -9.2618 -9.2618 -9.2618 -9.2618 -8.0744 -8.0744 -8.0744 -8.0744 -6.9874 -6.9874 -6.9874 -6.9874 -6.3305 -6.3305 -6.3305 -6.3305 -6.2654 -6.2654 -6.2654 -6.2654 -4.6531 -4.6531 -4.6531 -4.6531 -4.2157 -4.2157 -4.2157 -4.2157 -4.2084 -4.2084 -4.2084 -4.2084 -0.6668 -0.6668 -0.6668 -0.6668 3.4385 3.4385 3.4385 3.4385 5.5604 5.5604 5.5604 5.5604 6.8149 6.8149 k = 0.2199 0.2644 0.1969 ( 6980 PWs) bands (ev): -21.4993 -21.4993 -21.4993 -21.4993 -15.4189 -15.4189 -15.4189 -15.4189 -14.5765 -14.5765 -14.5765 -14.5765 -9.2619 -9.2619 -9.2619 -9.2619 -8.0584 -8.0584 -8.0584 -8.0584 -6.9802 -6.9802 -6.9802 -6.9802 -6.3268 -6.3268 -6.3268 -6.3268 -6.2741 -6.2741 -6.2741 -6.2741 -4.6489 -4.6489 -4.6489 -4.6489 -4.2231 -4.2231 -4.2231 -4.2231 -4.1967 -4.1967 -4.1967 -4.1967 -0.6727 -0.6727 -0.6727 -0.6727 3.4236 3.4236 3.4236 3.4236 5.4995 5.4995 5.4995 5.4995 6.7919 6.7919 k = 0.2114 0.2543 0.1969 ( 6988 PWs) bands (ev): -21.5004 -21.5004 -21.5004 -21.5004 -15.4186 -15.4186 -15.4186 -15.4186 -14.5793 -14.5793 -14.5793 -14.5793 -9.2620 -9.2620 -9.2620 -9.2620 -8.0426 -8.0426 -8.0426 -8.0426 -6.9731 -6.9731 -6.9731 -6.9731 -6.3240 -6.3240 -6.3240 -6.3240 -6.2831 -6.2831 -6.2831 -6.2831 -4.6445 -4.6445 -4.6445 -4.6445 -4.2313 -4.2313 -4.2313 -4.2313 -4.1824 -4.1824 -4.1824 -4.1824 -0.6795 -0.6795 -0.6795 -0.6795 3.4084 3.4084 3.4084 3.4084 5.4398 5.4398 5.4398 5.4398 6.7693 6.7693 k = 0.2030 0.2441 0.1969 ( 6996 PWs) bands (ev): -21.5016 -21.5016 -21.5016 -21.5016 -15.4182 -15.4182 -15.4182 -15.4182 -14.5820 -14.5820 -14.5820 -14.5820 -9.2621 -9.2621 -9.2621 -9.2621 -8.0269 -8.0269 -8.0269 -8.0269 -6.9660 -6.9660 -6.9660 -6.9660 -6.3234 -6.3234 -6.3234 -6.3234 -6.2910 -6.2910 -6.2910 -6.2910 -4.6400 -4.6400 -4.6400 -4.6400 -4.2393 -4.2393 -4.2393 -4.2393 -4.1666 -4.1666 -4.1666 -4.1666 -0.6872 -0.6872 -0.6872 -0.6872 3.3929 3.3929 3.3929 3.3929 5.3815 5.3815 5.3815 5.3815 6.7473 6.7473 k = 0.1945 0.2339 0.1969 ( 6992 PWs) bands (ev): -21.5027 -21.5027 -21.5027 -21.5027 -15.4177 -15.4177 -15.4177 -15.4177 -14.5847 -14.5847 -14.5847 -14.5847 -9.2622 -9.2622 -9.2622 -9.2622 -8.0114 -8.0114 -8.0114 -8.0114 -6.9590 -6.9590 -6.9590 -6.9590 -6.3276 -6.3276 -6.3276 -6.3276 -6.2950 -6.2950 -6.2950 -6.2950 -4.6354 -4.6354 -4.6354 -4.6354 -4.2472 -4.2472 -4.2472 -4.2472 -4.1494 -4.1494 -4.1494 -4.1494 -0.6957 -0.6957 -0.6957 -0.6957 3.3772 3.3772 3.3772 3.3772 5.3246 5.3246 5.3246 5.3246 6.7260 6.7260 k = 0.1860 0.2238 0.1969 ( 6996 PWs) bands (ev): -21.5038 -21.5038 -21.5038 -21.5038 -15.4171 -15.4171 -15.4171 -15.4171 -14.5874 -14.5874 -14.5874 -14.5874 -9.2622 -9.2622 -9.2622 -9.2622 -7.9962 -7.9962 -7.9962 -7.9962 -6.9522 -6.9522 -6.9522 -6.9522 -6.3373 -6.3373 -6.3373 -6.3373 -6.2944 -6.2944 -6.2944 -6.2944 -4.6307 -4.6307 -4.6307 -4.6307 -4.2549 -4.2549 -4.2549 -4.2549 -4.1310 -4.1310 -4.1310 -4.1310 -0.7049 -0.7049 -0.7049 -0.7049 3.3613 3.3613 3.3613 3.3613 5.2691 5.2691 5.2691 5.2691 6.7055 6.7055 k = 0.1776 0.2136 0.1969 ( 7000 PWs) bands (ev): -21.5050 -21.5050 -21.5050 -21.5050 -15.4164 -15.4164 -15.4164 -15.4164 -14.5900 -14.5900 -14.5900 -14.5900 -9.2622 -9.2622 -9.2622 -9.2622 -7.9812 -7.9812 -7.9812 -7.9812 -6.9455 -6.9455 -6.9455 -6.9455 -6.3503 -6.3503 -6.3503 -6.3503 -6.2912 -6.2912 -6.2912 -6.2912 -4.6261 -4.6261 -4.6261 -4.6261 -4.2623 -4.2623 -4.2623 -4.2623 -4.1115 -4.1115 -4.1115 -4.1115 -0.7147 -0.7147 -0.7147 -0.7147 3.3454 3.3454 3.3454 3.3454 5.2153 5.2153 5.2153 5.2153 6.6858 6.6858 k = 0.1691 0.2034 0.1969 ( 7000 PWs) bands (ev): -21.5061 -21.5061 -21.5061 -21.5061 -15.4157 -15.4157 -15.4157 -15.4157 -14.5926 -14.5926 -14.5926 -14.5926 -9.2622 -9.2622 -9.2622 -9.2622 -7.9666 -7.9666 -7.9666 -7.9666 -6.9390 -6.9390 -6.9390 -6.9390 -6.3650 -6.3650 -6.3650 -6.3650 -6.2869 -6.2869 -6.2869 -6.2869 -4.6214 -4.6214 -4.6214 -4.6214 -4.2694 -4.2694 -4.2694 -4.2694 -4.0912 -4.0912 -4.0912 -4.0912 -0.7251 -0.7251 -0.7251 -0.7251 3.3294 3.3294 3.3294 3.3294 5.1631 5.1631 5.1631 5.1631 6.6672 6.6672 k = 0.1607 0.1932 0.1969 ( 6992 PWs) bands (ev): -21.5072 -21.5072 -21.5072 -21.5072 -15.4149 -15.4149 -15.4149 -15.4149 -14.5951 -14.5951 -14.5951 -14.5951 -9.2622 -9.2622 -9.2622 -9.2622 -7.9524 -7.9524 -7.9524 -7.9524 -6.9327 -6.9327 -6.9327 -6.9327 -6.3806 -6.3806 -6.3806 -6.3806 -6.2820 -6.2820 -6.2820 -6.2820 -4.6168 -4.6168 -4.6168 -4.6168 -4.2763 -4.2763 -4.2763 -4.2763 -4.0702 -4.0702 -4.0702 -4.0702 -0.7360 -0.7360 -0.7360 -0.7360 3.3136 3.3136 3.3136 3.3136 5.1127 5.1127 5.1127 5.1127 6.6495 6.6495 k = 0.1522 0.1831 0.1969 ( 6990 PWs) bands (ev): -21.5082 -21.5082 -21.5082 -21.5082 -15.4140 -15.4140 -15.4140 -15.4140 -14.5975 -14.5975 -14.5975 -14.5975 -9.2621 -9.2621 -9.2621 -9.2621 -7.9387 -7.9387 -7.9387 -7.9387 -6.9266 -6.9266 -6.9266 -6.9266 -6.3966 -6.3966 -6.3966 -6.3966 -6.2770 -6.2770 -6.2770 -6.2770 -4.6123 -4.6123 -4.6123 -4.6123 -4.2828 -4.2828 -4.2828 -4.2828 -4.0488 -4.0488 -4.0488 -4.0488 -0.7473 -0.7473 -0.7473 -0.7473 3.2979 3.2979 3.2979 3.2979 5.0641 5.0641 5.0641 5.0641 6.6329 6.6329 k = 0.1438 0.1729 0.1969 ( 6986 PWs) bands (ev): -21.5093 -21.5093 -21.5093 -21.5093 -15.4131 -15.4131 -15.4131 -15.4131 -14.5998 -14.5998 -14.5998 -14.5998 -9.2621 -9.2621 -9.2621 -9.2621 -7.9253 -7.9253 -7.9253 -7.9253 -6.9207 -6.9207 -6.9207 -6.9207 -6.4130 -6.4130 -6.4130 -6.4130 -6.2718 -6.2718 -6.2718 -6.2718 -4.6079 -4.6079 -4.6079 -4.6079 -4.2891 -4.2891 -4.2891 -4.2891 -4.0270 -4.0270 -4.0270 -4.0270 -0.7589 -0.7589 -0.7589 -0.7589 3.2824 3.2824 3.2824 3.2824 5.0175 5.0175 5.0175 5.0175 6.6173 6.6173 k = 0.1353 0.1627 0.1969 ( 6986 PWs) bands (ev): -21.5103 -21.5103 -21.5103 -21.5103 -15.4122 -15.4122 -15.4122 -15.4122 -14.6020 -14.6020 -14.6020 -14.6020 -9.2620 -9.2620 -9.2620 -9.2620 -7.9126 -7.9126 -7.9126 -7.9126 -6.9150 -6.9150 -6.9150 -6.9150 -6.4294 -6.4294 -6.4294 -6.4294 -6.2666 -6.2666 -6.2666 -6.2666 -4.6037 -4.6037 -4.6037 -4.6037 -4.2950 -4.2950 -4.2950 -4.2950 -4.0053 -4.0053 -4.0053 -4.0053 -0.7706 -0.7706 -0.7706 -0.7706 3.2673 3.2673 3.2673 3.2673 4.9728 4.9728 4.9728 4.9728 6.6028 6.6028 k = 0.1268 0.1526 0.1969 ( 6980 PWs) bands (ev): -21.5112 -21.5112 -21.5112 -21.5112 -15.4112 -15.4112 -15.4112 -15.4112 -14.6041 -14.6041 -14.6041 -14.6041 -9.2619 -9.2619 -9.2619 -9.2619 -7.9003 -7.9003 -7.9003 -7.9003 -6.9096 -6.9096 -6.9096 -6.9096 -6.4456 -6.4456 -6.4456 -6.4456 -6.2615 -6.2615 -6.2615 -6.2615 -4.5996 -4.5996 -4.5996 -4.5996 -4.3006 -4.3006 -4.3006 -4.3006 -3.9836 -3.9836 -3.9836 -3.9836 -0.7824 -0.7824 -0.7824 -0.7824 3.2525 3.2525 3.2525 3.2525 4.9303 4.9303 4.9303 4.9303 6.5894 6.5894 k = 0.1184 0.1424 0.1969 ( 6976 PWs) bands (ev): -21.5121 -21.5121 -21.5121 -21.5121 -15.4103 -15.4103 -15.4103 -15.4103 -14.6061 -14.6061 -14.6061 -14.6061 -9.2618 -9.2618 -9.2618 -9.2618 -7.8887 -7.8887 -7.8887 -7.8887 -6.9045 -6.9045 -6.9045 -6.9045 -6.4615 -6.4615 -6.4615 -6.4615 -6.2565 -6.2565 -6.2565 -6.2565 -4.5957 -4.5957 -4.5957 -4.5957 -4.3059 -4.3059 -4.3059 -4.3059 -3.9623 -3.9623 -3.9623 -3.9623 -0.7942 -0.7942 -0.7942 -0.7942 3.2383 3.2383 3.2383 3.2383 4.8900 4.8900 4.8900 4.8900 6.5771 6.5771 k = 0.1099 0.1322 0.1969 ( 6960 PWs) bands (ev): -21.5130 -21.5130 -21.5130 -21.5130 -15.4093 -15.4093 -15.4093 -15.4093 -14.6080 -14.6080 -14.6080 -14.6080 -9.2617 -9.2617 -9.2617 -9.2617 -7.8776 -7.8776 -7.8776 -7.8776 -6.8996 -6.8996 -6.8996 -6.8996 -6.4769 -6.4769 -6.4769 -6.4769 -6.2516 -6.2516 -6.2516 -6.2516 -4.5920 -4.5920 -4.5920 -4.5920 -4.3108 -4.3108 -4.3108 -4.3108 -3.9415 -3.9415 -3.9415 -3.9415 -0.8057 -0.8057 -0.8057 -0.8057 3.2246 3.2246 3.2246 3.2246 4.8520 4.8520 4.8520 4.8520 6.5657 6.5657 k = 0.1015 0.1221 0.1969 ( 6956 PWs) bands (ev): -21.5139 -21.5139 -21.5139 -21.5139 -15.4084 -15.4084 -15.4084 -15.4084 -14.6098 -14.6098 -14.6098 -14.6098 -9.2616 -9.2616 -9.2616 -9.2616 -7.8673 -7.8673 -7.8673 -7.8673 -6.8951 -6.8951 -6.8951 -6.8951 -6.4918 -6.4918 -6.4918 -6.4918 -6.2469 -6.2469 -6.2469 -6.2469 -4.5884 -4.5884 -4.5884 -4.5884 -4.3153 -4.3153 -4.3153 -4.3153 -3.9214 -3.9214 -3.9214 -3.9214 -0.8170 -0.8170 -0.8170 -0.8170 3.2116 3.2116 3.2116 3.2116 4.8164 4.8164 4.8164 4.8164 6.5554 6.5554 k = 0.0930 0.1119 0.1969 ( 6952 PWs) bands (ev): -21.5146 -21.5146 -21.5146 -21.5146 -15.4075 -15.4075 -15.4075 -15.4075 -14.6115 -14.6115 -14.6115 -14.6115 -9.2615 -9.2615 -9.2615 -9.2615 -7.8577 -7.8577 -7.8577 -7.8577 -6.8909 -6.8909 -6.8909 -6.8909 -6.5059 -6.5059 -6.5059 -6.5059 -6.2424 -6.2424 -6.2424 -6.2424 -4.5852 -4.5852 -4.5852 -4.5852 -4.3195 -4.3195 -4.3195 -4.3195 -3.9023 -3.9023 -3.9023 -3.9023 -0.8279 -0.8279 -0.8279 -0.8279 3.1993 3.1993 3.1993 3.1993 4.7833 4.7833 4.7833 4.7833 6.5461 6.5461 k = 0.0846 0.1017 0.1969 ( 6960 PWs) bands (ev): -21.5154 -21.5154 -21.5154 -21.5154 -15.4066 -15.4066 -15.4066 -15.4066 -14.6131 -14.6131 -14.6131 -14.6131 -9.2614 -9.2614 -9.2614 -9.2614 -7.8488 -7.8488 -7.8488 -7.8488 -6.8870 -6.8870 -6.8870 -6.8870 -6.5192 -6.5192 -6.5192 -6.5192 -6.2382 -6.2382 -6.2382 -6.2382 -4.5821 -4.5821 -4.5821 -4.5821 -4.3234 -4.3234 -4.3234 -4.3234 -3.8841 -3.8841 -3.8841 -3.8841 -0.8383 -0.8383 -0.8383 -0.8383 3.1878 3.1878 3.1878 3.1878 4.7527 4.7527 4.7527 4.7527 6.5377 6.5377 k = 0.0761 0.0915 0.1969 ( 6956 PWs) bands (ev): -21.5160 -21.5160 -21.5160 -21.5160 -15.4058 -15.4058 -15.4058 -15.4058 -14.6145 -14.6145 -14.6145 -14.6145 -9.2612 -9.2612 -9.2612 -9.2612 -7.8406 -7.8406 -7.8406 -7.8406 -6.8834 -6.8834 -6.8834 -6.8834 -6.5315 -6.5315 -6.5315 -6.5315 -6.2343 -6.2343 -6.2343 -6.2343 -4.5793 -4.5793 -4.5793 -4.5793 -4.3269 -4.3269 -4.3269 -4.3269 -3.8673 -3.8673 -3.8673 -3.8673 -0.8480 -0.8480 -0.8480 -0.8480 3.1772 3.1772 3.1772 3.1772 4.7248 4.7248 4.7248 4.7248 6.5303 6.5303 k = 0.0677 0.0814 0.1969 ( 6964 PWs) bands (ev): -21.5166 -21.5166 -21.5166 -21.5166 -15.4050 -15.4050 -15.4050 -15.4050 -14.6157 -14.6157 -14.6157 -14.6157 -9.2611 -9.2611 -9.2611 -9.2611 -7.8333 -7.8333 -7.8333 -7.8333 -6.8802 -6.8802 -6.8802 -6.8802 -6.5428 -6.5428 -6.5428 -6.5428 -6.2307 -6.2307 -6.2307 -6.2307 -4.5768 -4.5768 -4.5768 -4.5768 -4.3300 -4.3300 -4.3300 -4.3300 -3.8517 -3.8517 -3.8517 -3.8517 -0.8571 -0.8571 -0.8571 -0.8571 3.1675 3.1675 3.1675 3.1675 4.6996 4.6996 4.6996 4.6996 6.5237 6.5237 k = 0.0592 0.0712 0.1969 ( 6972 PWs) bands (ev): -21.5172 -21.5172 -21.5172 -21.5172 -15.4043 -15.4043 -15.4043 -15.4043 -14.6169 -14.6169 -14.6169 -14.6169 -9.2610 -9.2610 -9.2610 -9.2610 -7.8267 -7.8267 -7.8267 -7.8267 -6.8773 -6.8773 -6.8773 -6.8773 -6.5530 -6.5530 -6.5530 -6.5530 -6.2274 -6.2274 -6.2274 -6.2274 -4.5745 -4.5745 -4.5745 -4.5745 -4.3327 -4.3327 -4.3327 -4.3327 -3.8377 -3.8377 -3.8377 -3.8377 -0.8653 -0.8653 -0.8653 -0.8653 3.1588 3.1588 3.1588 3.1588 4.6772 4.6772 4.6772 4.6772 6.5180 6.5180 k = 0.0507 0.0610 0.1969 ( 6972 PWs) bands (ev): -21.5176 -21.5176 -21.5176 -21.5176 -15.4037 -15.4037 -15.4037 -15.4037 -14.6179 -14.6179 -14.6179 -14.6179 -9.2609 -9.2609 -9.2609 -9.2609 -7.8210 -7.8210 -7.8210 -7.8210 -6.8748 -6.8748 -6.8748 -6.8748 -6.5620 -6.5620 -6.5620 -6.5620 -6.2245 -6.2245 -6.2245 -6.2245 -4.5725 -4.5725 -4.5725 -4.5725 -4.3351 -4.3351 -4.3351 -4.3351 -3.8253 -3.8253 -3.8253 -3.8253 -0.8726 -0.8726 -0.8726 -0.8726 3.1511 3.1511 3.1511 3.1511 4.6577 4.6577 4.6577 4.6577 6.5132 6.5132 k = 0.0423 0.0509 0.1969 ( 6966 PWs) bands (ev): -21.5181 -21.5181 -21.5181 -21.5181 -15.4032 -15.4032 -15.4032 -15.4032 -14.6187 -14.6187 -14.6187 -14.6187 -9.2608 -9.2608 -9.2608 -9.2608 -7.8161 -7.8161 -7.8161 -7.8161 -6.8727 -6.8727 -6.8727 -6.8727 -6.5697 -6.5697 -6.5697 -6.5697 -6.2221 -6.2221 -6.2221 -6.2221 -4.5708 -4.5708 -4.5708 -4.5708 -4.3372 -4.3372 -4.3372 -4.3372 -3.8146 -3.8146 -3.8146 -3.8146 -0.8789 -0.8789 -0.8789 -0.8789 3.1446 3.1446 3.1446 3.1446 4.6410 4.6410 4.6410 4.6410 6.5091 6.5091 k = 0.0338 0.0407 0.1969 ( 6958 PWs) bands (ev): -21.5184 -21.5184 -21.5184 -21.5184 -15.4027 -15.4027 -15.4027 -15.4027 -14.6194 -14.6194 -14.6194 -14.6194 -9.2608 -9.2608 -9.2608 -9.2608 -7.8121 -7.8121 -7.8121 -7.8121 -6.8709 -6.8709 -6.8709 -6.8709 -6.5760 -6.5760 -6.5760 -6.5760 -6.2200 -6.2200 -6.2200 -6.2200 -4.5694 -4.5694 -4.5694 -4.5694 -4.3388 -4.3388 -4.3388 -4.3388 -3.8057 -3.8057 -3.8057 -3.8057 -0.8842 -0.8842 -0.8842 -0.8842 3.1391 3.1391 3.1391 3.1391 4.6274 4.6274 4.6274 4.6274 6.5058 6.5058 k = 0.0254 0.0305 0.1969 ( 6958 PWs) bands (ev): -21.5186 -21.5186 -21.5186 -21.5186 -15.4024 -15.4024 -15.4024 -15.4024 -14.6199 -14.6199 -14.6199 -14.6199 -9.2607 -9.2607 -9.2607 -9.2607 -7.8089 -7.8089 -7.8089 -7.8089 -6.8695 -6.8695 -6.8695 -6.8695 -6.5810 -6.5810 -6.5810 -6.5810 -6.2184 -6.2184 -6.2184 -6.2184 -4.5683 -4.5683 -4.5683 -4.5683 -4.3401 -4.3401 -4.3401 -4.3401 -3.7987 -3.7987 -3.7987 -3.7987 -0.8883 -0.8883 -0.8883 -0.8883 3.1349 3.1349 3.1349 3.1349 4.6167 4.6167 4.6167 4.6167 6.5033 6.5033 k = 0.0169 0.0203 0.1969 ( 6946 PWs) bands (ev): -21.5188 -21.5188 -21.5188 -21.5188 -15.4021 -15.4021 -15.4021 -15.4021 -14.6203 -14.6203 -14.6203 -14.6203 -9.2607 -9.2607 -9.2607 -9.2607 -7.8067 -7.8067 -7.8067 -7.8067 -6.8685 -6.8685 -6.8685 -6.8685 -6.5846 -6.5846 -6.5846 -6.5846 -6.2173 -6.2173 -6.2173 -6.2173 -4.5675 -4.5675 -4.5675 -4.5675 -4.3410 -4.3410 -4.3410 -4.3410 -3.7937 -3.7937 -3.7937 -3.7937 -0.8914 -0.8914 -0.8914 -0.8914 3.1318 3.1318 3.1318 3.1318 4.6090 4.6090 4.6090 4.6090 6.5015 6.5015 k = 0.0085 0.0102 0.1969 ( 6946 PWs) bands (ev): -21.5189 -21.5189 -21.5189 -21.5189 -15.4020 -15.4020 -15.4020 -15.4020 -14.6205 -14.6205 -14.6205 -14.6205 -9.2606 -9.2606 -9.2606 -9.2606 -7.8053 -7.8053 -7.8053 -7.8053 -6.8679 -6.8679 -6.8679 -6.8679 -6.5868 -6.5868 -6.5868 -6.5868 -6.2166 -6.2166 -6.2166 -6.2166 -4.5670 -4.5670 -4.5670 -4.5670 -4.3416 -4.3416 -4.3416 -4.3416 -3.7906 -3.7906 -3.7906 -3.7906 -0.8932 -0.8932 -0.8932 -0.8932 3.1300 3.1300 3.1300 3.1300 4.6044 4.6044 4.6044 4.6044 6.5004 6.5004 k = 0.0000 0.0000 0.1969 ( 6928 PWs) bands (ev): -21.5190 -21.5190 -21.5190 -21.5190 -15.4019 -15.4019 -15.4019 -15.4019 -14.6206 -14.6206 -14.6206 -14.6206 -9.2606 -9.2606 -9.2606 -9.2606 -7.8049 -7.8049 -7.8049 -7.8049 -6.8677 -6.8677 -6.8677 -6.8677 -6.5875 -6.5875 -6.5875 -6.5875 -6.2163 -6.2163 -6.2163 -6.2163 -4.5668 -4.5668 -4.5668 -4.5668 -4.3417 -4.3417 -4.3417 -4.3417 -3.7896 -3.7896 -3.7896 -3.7896 -0.8938 -0.8938 -0.8938 -0.8938 3.1294 3.1294 3.1294 3.1294 4.6029 4.6029 4.6029 4.6029 6.5000 6.5000 k = 0.0000 0.0000 0.1969 ( 6928 PWs) bands (ev): -21.5190 -21.5190 -21.5190 -21.5190 -15.4019 -15.4019 -15.4019 -15.4019 -14.6206 -14.6206 -14.6206 -14.6206 -9.2606 -9.2606 -9.2606 -9.2606 -7.8049 -7.8049 -7.8049 -7.8049 -6.8677 -6.8677 -6.8677 -6.8677 -6.5875 -6.5875 -6.5875 -6.5875 -6.2163 -6.2163 -6.2163 -6.2163 -4.5668 -4.5668 -4.5668 -4.5668 -4.3417 -4.3417 -4.3417 -4.3417 -3.7896 -3.7896 -3.7896 -3.7896 -0.8938 -0.8938 -0.8938 -0.8938 3.1294 3.1294 3.1294 3.1294 4.6029 4.6029 4.6029 4.6029 6.5000 6.5000 k = 0.0000 0.0000 0.1838 ( 6938 PWs) bands (ev): -21.5191 -21.5191 -21.5188 -21.5188 -15.4073 -15.4073 -15.3964 -15.3964 -14.6301 -14.6301 -14.6112 -14.6112 -9.2737 -9.2737 -9.2475 -9.2475 -7.8054 -7.8054 -7.8044 -7.8044 -6.8683 -6.8683 -6.8671 -6.8671 -6.5887 -6.5887 -6.5863 -6.5863 -6.2242 -6.2242 -6.2085 -6.2085 -4.5709 -4.5709 -4.5628 -4.5628 -4.3420 -4.3420 -4.3415 -4.3415 -3.7976 -3.7976 -3.7817 -3.7817 -0.9077 -0.9077 -0.8797 -0.8797 3.1247 3.1247 3.1340 3.1340 4.5603 4.5603 4.6473 4.6473 6.4206 6.4206 k = 0.0000 0.0000 0.1706 ( 6946 PWs) bands (ev): -21.5193 -21.5193 -21.5187 -21.5187 -15.4125 -15.4125 -15.3909 -15.3909 -14.6396 -14.6396 -14.6020 -14.6020 -9.2866 -9.2866 -9.2344 -9.2344 -7.8059 -7.8059 -7.8039 -7.8039 -6.8688 -6.8688 -6.8666 -6.8666 -6.5898 -6.5898 -6.5851 -6.5851 -6.2321 -6.2321 -6.2008 -6.2008 -4.5749 -4.5749 -4.5587 -4.5587 -4.3423 -4.3423 -4.3412 -4.3412 -3.8056 -3.8056 -3.7739 -3.7739 -0.9213 -0.9213 -0.8657 -0.8657 3.1201 3.1201 3.1386 3.1386 4.5197 4.5197 4.6934 4.6934 6.3425 6.3425 k = 0.0000 0.0000 0.1575 ( 6942 PWs) bands (ev): -21.5194 -21.5194 -21.5185 -21.5185 -15.4174 -15.4174 -15.3854 -15.3854 -14.6490 -14.6490 -14.5930 -14.5930 -9.2992 -9.2992 -9.2216 -9.2216 -7.8064 -7.8064 -7.8034 -7.8034 -6.8694 -6.8694 -6.8660 -6.8660 -6.5909 -6.5909 -6.5839 -6.5839 -6.2399 -6.2399 -6.1933 -6.1933 -4.5788 -4.5788 -4.5547 -4.5547 -4.3426 -4.3426 -4.3409 -4.3409 -3.8135 -3.8135 -3.7664 -3.7664 -0.9344 -0.9344 -0.8517 -0.8517 3.1157 3.1157 3.1432 3.1432 4.4812 4.4812 4.7410 4.7410 6.2659 6.2659 k = 0.0000 0.0000 0.1444 ( 6938 PWs) bands (ev): -21.5195 -21.5195 -21.5184 -21.5184 -15.4221 -15.4221 -15.3799 -15.3799 -14.6583 -14.6583 -14.5845 -14.5845 -9.3113 -9.3113 -9.2091 -9.2091 -7.8069 -7.8069 -7.8029 -7.8029 -6.8699 -6.8699 -6.8655 -6.8655 -6.5919 -6.5919 -6.5827 -6.5827 -6.2475 -6.2475 -6.1861 -6.1861 -4.5826 -4.5826 -4.5507 -4.5507 -4.3429 -4.3429 -4.3406 -4.3406 -3.8212 -3.8212 -3.7592 -3.7592 -0.9470 -0.9470 -0.8381 -0.8381 3.1114 3.1114 3.1476 3.1476 4.4450 4.4450 4.7899 4.7899 6.1907 6.1907 k = 0.0000 0.0000 0.1313 ( 6954 PWs) bands (ev): -21.5197 -21.5197 -21.5183 -21.5183 -15.4265 -15.4265 -15.3746 -15.3746 -14.6672 -14.6672 -14.5764 -14.5764 -9.3228 -9.3228 -9.1972 -9.1972 -7.8074 -7.8074 -7.8024 -7.8024 -6.8704 -6.8704 -6.8650 -6.8650 -6.5929 -6.5929 -6.5815 -6.5815 -6.2548 -6.2548 -6.1793 -6.1793 -4.5862 -4.5862 -4.5470 -4.5470 -4.3431 -4.3431 -4.3404 -4.3404 -3.8287 -3.8287 -3.7524 -3.7524 -0.9589 -0.9589 -0.8250 -0.8250 3.1073 3.1073 3.1518 3.1518 4.4113 4.4113 4.8401 4.8401 6.1170 6.1170 k = 0.0000 0.0000 0.1181 ( 6958 PWs) bands (ev): -21.5198 -21.5198 -21.5182 -21.5182 -15.4306 -15.4306 -15.3694 -15.3694 -14.6757 -14.6757 -14.5689 -14.5689 -9.3336 -9.3336 -9.1859 -9.1859 -7.8078 -7.8078 -7.8020 -7.8020 -6.8709 -6.8709 -6.8646 -6.8646 -6.5938 -6.5938 -6.5804 -6.5804 -6.2617 -6.2617 -6.1730 -6.1730 -4.5896 -4.5896 -4.5435 -4.5435 -4.3434 -4.3434 -4.3401 -4.3401 -3.8357 -3.8357 -3.7460 -3.7460 -0.9699 -0.9699 -0.8126 -0.8126 3.1035 3.1035 3.1558 3.1558 4.3803 4.3803 4.8914 4.8914 6.0449 6.0449 k = 0.0000 0.0000 0.1050 ( 6954 PWs) bands (ev): -21.5199 -21.5199 -21.5181 -21.5181 -15.4343 -15.4343 -15.3645 -15.3645 -14.6836 -14.6836 -14.5620 -14.5620 -9.3436 -9.3436 -9.1754 -9.1754 -7.8082 -7.8082 -7.8016 -7.8016 -6.8714 -6.8714 -6.8641 -6.8641 -6.5946 -6.5946 -6.5794 -6.5794 -6.2682 -6.2682 -6.1671 -6.1671 -4.5927 -4.5927 -4.5401 -4.5401 -4.3436 -4.3436 -4.3399 -4.3399 -3.8423 -3.8423 -3.7401 -3.7401 -0.9801 -0.9801 -0.8009 -0.8009 3.1000 3.1000 3.1595 3.1595 4.3520 4.3520 4.9436 4.9436 5.9743 5.9743 k = 0.0000 0.0000 0.0919 ( 6962 PWs) bands (ev): -21.5200 -21.5200 -21.5180 -21.5180 -15.4377 -15.4377 -15.3600 -15.3600 -14.6910 -14.6910 -14.5557 -14.5557 -9.3527 -9.3527 -9.1659 -9.1659 -7.8086 -7.8086 -7.8012 -7.8012 -6.8718 -6.8718 -6.8638 -6.8638 -6.5953 -6.5953 -6.5785 -6.5785 -6.2741 -6.2741 -6.1618 -6.1618 -4.5955 -4.5955 -4.5371 -4.5371 -4.3438 -4.3438 -4.3397 -4.3397 -3.8484 -3.8484 -3.7349 -3.7349 -0.9892 -0.9892 -0.7902 -0.7902 3.0968 3.0968 3.1628 3.1628 4.3266 4.3266 4.9966 4.9966 5.9054 5.9054 k = 0.0000 0.0000 0.0788 ( 6970 PWs) bands (ev): -21.5201 -21.5201 -21.5179 -21.5179 -15.4406 -15.4406 -15.3559 -15.3559 -14.6976 -14.6976 -14.5501 -14.5501 -9.3607 -9.3607 -9.1573 -9.1573 -7.8089 -7.8089 -7.8009 -7.8009 -6.8721 -6.8721 -6.8635 -6.8635 -6.5959 -6.5959 -6.5776 -6.5776 -6.2795 -6.2795 -6.1571 -6.1571 -4.5981 -4.5981 -4.5344 -4.5344 -4.3440 -4.3440 -4.3395 -4.3395 -3.8539 -3.8539 -3.7302 -3.7302 -0.9973 -0.9973 -0.7806 -0.7806 3.0939 3.0939 3.1659 3.1659 4.3043 4.3043 5.0500 5.0500 5.8384 5.8384 k = 0.0000 0.0000 0.0656 ( 6967 PWs) bands (ev): -21.5202 -21.5202 -21.5178 -21.5178 -15.4432 -15.4432 -15.3523 -15.3523 -14.7034 -14.7034 -14.5453 -14.5453 -9.3677 -9.3677 -9.1499 -9.1499 -7.8092 -7.8092 -7.8006 -7.8006 -6.8725 -6.8725 -6.8632 -6.8632 -6.5964 -6.5964 -6.5769 -6.5769 -6.2841 -6.2841 -6.1530 -6.1530 -4.6003 -4.6003 -4.5320 -4.5320 -4.3441 -4.3441 -4.3394 -4.3394 -3.8586 -3.8586 -3.7261 -3.7261 -1.0043 -1.0043 -0.7722 -0.7722 3.0914 3.0914 3.1685 3.1685 4.2852 4.2852 5.1035 5.1035 5.7734 5.7734 k = 0.0000 0.0000 0.0525 ( 6965 PWs) bands (ev): -21.5202 -21.5202 -21.5177 -21.5177 -15.4452 -15.4452 -15.3492 -15.3492 -14.7082 -14.7082 -14.5413 -14.5413 -9.3735 -9.3735 -9.1437 -9.1437 -7.8094 -7.8094 -7.8003 -7.8003 -6.8727 -6.8727 -6.8629 -6.8629 -6.5969 -6.5969 -6.5762 -6.5762 -6.2879 -6.2879 -6.1497 -6.1497 -4.6021 -4.6021 -4.5300 -4.5300 -4.3442 -4.3442 -4.3393 -4.3393 -3.8626 -3.8626 -3.7227 -3.7227 -1.0101 -1.0101 -0.7652 -0.7652 3.0894 3.0894 3.1707 3.1707 4.2694 4.2694 5.1565 5.1565 5.7112 5.7112 k = 0.0000 0.0000 0.0394 ( 6971 PWs) bands (ev): -21.5203 -21.5203 -21.5177 -21.5177 -15.4469 -15.4469 -15.3467 -15.3467 -14.7121 -14.7121 -14.5382 -14.5382 -9.3780 -9.3780 -9.1388 -9.1388 -7.8096 -7.8096 -7.8001 -7.8001 -6.8729 -6.8729 -6.8627 -6.8627 -6.5972 -6.5972 -6.5757 -6.5757 -6.2910 -6.2910 -6.1470 -6.1470 -4.6035 -4.6035 -4.5284 -4.5284 -4.3443 -4.3443 -4.3392 -4.3392 -3.8658 -3.8658 -3.7201 -3.7201 -1.0146 -1.0146 -0.7596 -0.7596 3.0878 3.0878 3.1724 3.1724 4.2570 4.2570 5.2077 5.2077 5.6529 5.6529 k = 0.0000 0.0000 0.0263 ( 6969 PWs) bands (ev): -21.5203 -21.5203 -21.5176 -21.5176 -15.4481 -15.4481 -15.3450 -15.3450 -14.7149 -14.7149 -14.5360 -14.5360 -9.3813 -9.3813 -9.1353 -9.1353 -7.8097 -7.8097 -7.8000 -7.8000 -6.8731 -6.8731 -6.8626 -6.8626 -6.5974 -6.5974 -6.5754 -6.5754 -6.2932 -6.2932 -6.1451 -6.1451 -4.6046 -4.6046 -4.5273 -4.5273 -4.3444 -4.3444 -4.3391 -4.3391 -3.8681 -3.8681 -3.7182 -3.7182 -1.0179 -1.0179 -0.7556 -0.7556 3.0866 3.0866 3.1737 3.1737 4.2481 4.2481 5.2546 5.2546 5.6010 5.6010 k = 0.0000 0.0000 0.0131 ( 6959 PWs) bands (ev): -21.5203 -21.5203 -21.5176 -21.5176 -15.4488 -15.4488 -15.3439 -15.3439 -14.7166 -14.7166 -14.5346 -14.5346 -9.3833 -9.3833 -9.1331 -9.1331 -7.8098 -7.8098 -7.7999 -7.7999 -6.8731 -6.8731 -6.8625 -6.8625 -6.5976 -6.5976 -6.5751 -6.5751 -6.2946 -6.2946 -6.1440 -6.1440 -4.6052 -4.6052 -4.5266 -4.5266 -4.3445 -4.3445 -4.3391 -4.3391 -3.8695 -3.8695 -3.7171 -3.7171 -1.0198 -1.0198 -0.7531 -0.7531 3.0859 3.0859 3.1744 3.1744 4.2427 4.2427 5.2911 5.2911 5.5615 5.5615 k = 0.0000 0.0000 0.0000 ( 6971 PWs) bands (ev): -21.5203 -21.5203 -21.5176 -21.5176 -15.4490 -15.4490 -15.3435 -15.3435 -14.7172 -14.7172 -14.5341 -14.5341 -9.3840 -9.3840 -9.1324 -9.1324 -7.8098 -7.8098 -7.7999 -7.7999 -6.8732 -6.8732 -6.8625 -6.8625 -6.5976 -6.5976 -6.5751 -6.5751 -6.2950 -6.2950 -6.1436 -6.1436 -4.6054 -4.6054 -4.5263 -4.5263 -4.3445 -4.3445 -4.3390 -4.3390 -3.8700 -3.8700 -3.7167 -3.7167 -1.0205 -1.0205 -0.7523 -0.7523 3.0857 3.0857 3.1747 3.1747 4.2409 4.2409 5.3059 5.3059 5.5457 5.5457 k = 0.0000 0.0000 0.0000 ( 6971 PWs) bands (ev): -21.5203 -21.5203 -21.5176 -21.5176 -15.4490 -15.4490 -15.3435 -15.3435 -14.7172 -14.7172 -14.5341 -14.5341 -9.3840 -9.3840 -9.1324 -9.1324 -7.8098 -7.8098 -7.7999 -7.7999 -6.8732 -6.8732 -6.8625 -6.8625 -6.5976 -6.5976 -6.5751 -6.5751 -6.2950 -6.2950 -6.1436 -6.1436 -4.6054 -4.6054 -4.5263 -4.5263 -4.3445 -4.3445 -4.3390 -4.3390 -3.8700 -3.8700 -3.7167 -3.7167 -1.0205 -1.0205 -0.7523 -0.7523 3.0857 3.0857 3.1747 3.1747 4.2409 4.2409 5.3059 5.3059 5.5457 5.5457 k =-0.0102 0.0085 0.0000 ( 6977 PWs) bands (ev): -21.5203 -21.5203 -21.5176 -21.5176 -15.4490 -15.4490 -15.3435 -15.3435 -14.7171 -14.7171 -14.5341 -14.5341 -9.3839 -9.3839 -9.1325 -9.1325 -7.8105 -7.8105 -7.8006 -7.8006 -6.8735 -6.8735 -6.8629 -6.8629 -6.5973 -6.5973 -6.5748 -6.5748 -6.2951 -6.2951 -6.1436 -6.1436 -4.6056 -4.6056 -4.5264 -4.5264 -4.3446 -4.3446 -4.3390 -4.3390 -3.8699 -3.8699 -3.7166 -3.7166 -1.0202 -1.0202 -0.7522 -0.7522 3.0855 3.0855 3.1751 3.1751 4.2435 4.2435 5.3070 5.3070 5.5479 5.5479 k =-0.0204 0.0170 0.0000 ( 6971 PWs) bands (ev): -21.5202 -21.5202 -21.5174 -21.5174 -15.4489 -15.4489 -15.3436 -15.3436 -14.7166 -14.7166 -14.5339 -14.5339 -9.3839 -9.3839 -9.1327 -9.1327 -7.8125 -7.8125 -7.8029 -7.8029 -6.8743 -6.8743 -6.8643 -6.8643 -6.5963 -6.5963 -6.5741 -6.5741 -6.2954 -6.2954 -6.1439 -6.1439 -4.6060 -4.6060 -4.5266 -4.5266 -4.3449 -4.3449 -4.3389 -4.3389 -3.8697 -3.8697 -3.7165 -3.7165 -1.0194 -1.0194 -0.7518 -0.7518 3.0850 3.0850 3.1763 3.1763 4.2514 4.2514 5.3105 5.3105 5.5546 5.5546 k =-0.0306 0.0255 0.0000 ( 6975 PWs) bands (ev): -21.5200 -21.5200 -21.5172 -21.5172 -15.4488 -15.4488 -15.3438 -15.3438 -14.7158 -14.7158 -14.5336 -14.5336 -9.3838 -9.3838 -9.1330 -9.1330 -7.8158 -7.8158 -7.8066 -7.8066 -6.8756 -6.8756 -6.8665 -6.8665 -6.5947 -6.5947 -6.5729 -6.5729 -6.2959 -6.2959 -6.1442 -6.1442 -4.6068 -4.6068 -4.5269 -4.5269 -4.3454 -4.3454 -4.3388 -4.3388 -3.8694 -3.8694 -3.7163 -3.7163 -1.0181 -1.0181 -0.7511 -0.7511 3.0842 3.0842 3.1784 3.1784 4.2645 4.2645 5.3163 5.3163 5.5658 5.5658 k =-0.0408 0.0339 0.0000 ( 6981 PWs) bands (ev): -21.5197 -21.5197 -21.5170 -21.5170 -15.4486 -15.4486 -15.3441 -15.3441 -14.7147 -14.7147 -14.5332 -14.5332 -9.3837 -9.3837 -9.1334 -9.1334 -7.8203 -7.8203 -7.8117 -7.8117 -6.8775 -6.8775 -6.8696 -6.8696 -6.5925 -6.5925 -6.5713 -6.5713 -6.2965 -6.2965 -6.1447 -6.1447 -4.6079 -4.6079 -4.5274 -4.5274 -4.3461 -4.3461 -4.3386 -4.3386 -3.8690 -3.8690 -3.7160 -3.7160 -1.0162 -1.0162 -0.7501 -0.7501 3.0833 3.0833 3.1813 3.1813 4.2827 4.2827 5.3243 5.3243 5.5815 5.5815 k =-0.0510 0.0424 0.0000 ( 6977 PWs) bands (ev): -21.5193 -21.5193 -21.5166 -21.5166 -15.4483 -15.4483 -15.3445 -15.3445 -14.7133 -14.7133 -14.5326 -14.5326 -9.3835 -9.3835 -9.1340 -9.1340 -7.8261 -7.8261 -7.8182 -7.8182 -6.8798 -6.8798 -6.8736 -6.8736 -6.5897 -6.5897 -6.5692 -6.5692 -6.2973 -6.2973 -6.1454 -6.1454 -4.6093 -4.6093 -4.5279 -4.5279 -4.3469 -4.3469 -4.3383 -4.3383 -3.8685 -3.8685 -3.7157 -3.7157 -1.0138 -1.0138 -0.7489 -0.7489 3.0823 3.0823 3.1851 3.1851 4.3058 4.3058 5.3347 5.3347 5.6015 5.6015 k =-0.0612 0.0509 0.0000 ( 6983 PWs) bands (ev): -21.5188 -21.5188 -21.5161 -21.5161 -15.4480 -15.4480 -15.3449 -15.3449 -14.7116 -14.7116 -14.5320 -14.5320 -9.3833 -9.3833 -9.1347 -9.1347 -7.8330 -7.8330 -7.8261 -7.8261 -6.8826 -6.8826 -6.8784 -6.8784 -6.5863 -6.5863 -6.5668 -6.5668 -6.2983 -6.2983 -6.1462 -6.1462 -4.6109 -4.6109 -4.5286 -4.5286 -4.3478 -4.3478 -4.3380 -4.3380 -3.8679 -3.8679 -3.7153 -3.7153 -1.0110 -1.0110 -0.7475 -0.7475 3.0813 3.0813 3.1897 3.1897 4.3335 4.3335 5.3474 5.3474 5.6260 5.6260 k =-0.0714 0.0594 0.0000 ( 6987 PWs) bands (ev): -21.5183 -21.5183 -21.5156 -21.5156 -15.4476 -15.4476 -15.3453 -15.3453 -14.7095 -14.7095 -14.5312 -14.5312 -9.3830 -9.3830 -9.1355 -9.1355 -7.8412 -7.8412 -7.8354 -7.8354 -6.8859 -6.8859 -6.8840 -6.8840 -6.5824 -6.5824 -6.5639 -6.5639 -6.2995 -6.2995 -6.1473 -6.1473 -4.6129 -4.6129 -4.5294 -4.5294 -4.3488 -4.3488 -4.3375 -4.3375 -3.8673 -3.8673 -3.7149 -3.7149 -1.0077 -1.0077 -0.7458 -0.7458 3.0806 3.0806 3.1953 3.1953 4.3658 4.3658 5.3623 5.3623 5.6547 5.6547 k =-0.0816 0.0679 0.0000 ( 6981 PWs) bands (ev): -21.5176 -21.5176 -21.5150 -21.5150 -15.4472 -15.4472 -15.3459 -15.3459 -14.7072 -14.7072 -14.5304 -14.5304 -9.3827 -9.3827 -9.1365 -9.1365 -7.8503 -7.8503 -7.8459 -7.8459 -6.8904 -6.8904 -6.8896 -6.8896 -6.5781 -6.5781 -6.5608 -6.5608 -6.3009 -6.3009 -6.1485 -6.1485 -4.6150 -4.6150 -4.5303 -4.5303 -4.3499 -4.3499 -4.3369 -4.3369 -3.8667 -3.8667 -3.7146 -3.7146 -1.0040 -1.0040 -0.7439 -0.7439 3.0803 3.0803 3.2017 3.2017 4.4023 4.4023 5.3796 5.3796 5.6877 5.6877 k =-0.0918 0.0764 0.0000 ( 6981 PWs) bands (ev): -21.5169 -21.5169 -21.5143 -21.5143 -15.4467 -15.4467 -15.3464 -15.3464 -14.7046 -14.7046 -14.5294 -14.5294 -9.3824 -9.3824 -9.1375 -9.1375 -7.8605 -7.8605 -7.8576 -7.8576 -6.8975 -6.8975 -6.8937 -6.8937 -6.5734 -6.5734 -6.5573 -6.5573 -6.3025 -6.3025 -6.1499 -6.1499 -4.6174 -4.6174 -4.5313 -4.5313 -4.3509 -4.3509 -4.3361 -4.3361 -3.8662 -3.8662 -3.7143 -3.7143 -0.9999 -0.9999 -0.7417 -0.7417 3.0805 3.0805 3.2090 3.2090 4.4429 4.4429 5.3991 5.3991 5.7250 5.7250 k =-0.1020 0.0848 0.0000 ( 6983 PWs) bands (ev): -21.5162 -21.5162 -21.5135 -21.5135 -15.4462 -15.4462 -15.3471 -15.3471 -14.7017 -14.7017 -14.5283 -14.5283 -9.3820 -9.3820 -9.1386 -9.1386 -7.8717 -7.8717 -7.8705 -7.8705 -6.9054 -6.9054 -6.8981 -6.8981 -6.5683 -6.5683 -6.5535 -6.5535 -6.3043 -6.3043 -6.1515 -6.1515 -4.6201 -4.6201 -4.5324 -4.5324 -4.3520 -4.3520 -4.3351 -4.3351 -3.8657 -3.8657 -3.7141 -3.7141 -0.9954 -0.9954 -0.7394 -0.7394 3.0813 3.0813 3.2172 3.2172 4.4872 4.4872 5.4209 5.4209 5.7664 5.7664 k =-0.1122 0.0933 0.0000 ( 6967 PWs) bands (ev): -21.5153 -21.5153 -21.5127 -21.5127 -15.4456 -15.4456 -15.3478 -15.3478 -14.6985 -14.6985 -14.5271 -14.5271 -9.3815 -9.3815 -9.1398 -9.1398 -7.8844 -7.8844 -7.8837 -7.8837 -6.9139 -6.9139 -6.9028 -6.9028 -6.5630 -6.5630 -6.5495 -6.5495 -6.3062 -6.3062 -6.1533 -6.1533 -4.6229 -4.6229 -4.5336 -4.5336 -4.3529 -4.3529 -4.3338 -4.3338 -3.8653 -3.8653 -3.7139 -3.7139 -0.9907 -0.9907 -0.7369 -0.7369 3.0830 3.0830 3.2264 3.2264 4.5351 4.5351 5.4450 5.4450 5.8118 5.8118 k =-0.1224 0.1018 0.0000 ( 6955 PWs) bands (ev): -21.5144 -21.5144 -21.5118 -21.5118 -15.4450 -15.4450 -15.3485 -15.3485 -14.6951 -14.6951 -14.5258 -14.5258 -9.3809 -9.3809 -9.1412 -9.1412 -7.8993 -7.8993 -7.8965 -7.8965 -6.9230 -6.9230 -6.9078 -6.9078 -6.5574 -6.5574 -6.5454 -6.5454 -6.3084 -6.3084 -6.1554 -6.1554 -4.6259 -4.6259 -4.5349 -4.5349 -4.3538 -4.3538 -4.3323 -4.3323 -3.8651 -3.8651 -3.7140 -3.7140 -0.9856 -0.9856 -0.7343 -0.7343 3.0854 3.0854 3.2365 3.2365 4.5863 4.5863 5.4712 5.4712 5.8613 5.8613 k =-0.1327 0.1103 0.0000 ( 6955 PWs) bands (ev): -21.5134 -21.5134 -21.5109 -21.5109 -15.4443 -15.4443 -15.3493 -15.3493 -14.6915 -14.6915 -14.5245 -14.5245 -9.3803 -9.3803 -9.1426 -9.1426 -7.9152 -7.9152 -7.9101 -7.9101 -6.9327 -6.9327 -6.9131 -6.9131 -6.5516 -6.5516 -6.5410 -6.5410 -6.3108 -6.3108 -6.1577 -6.1577 -4.6292 -4.6292 -4.5363 -4.5363 -4.3545 -4.3545 -4.3304 -4.3304 -3.8650 -3.8650 -3.7142 -3.7142 -0.9803 -0.9803 -0.7315 -0.7315 3.0889 3.0889 3.2476 3.2476 4.6406 4.6406 5.4997 5.4997 5.9146 5.9146 k =-0.1429 0.1188 0.0000 ( 6949 PWs) bands (ev): -21.5124 -21.5124 -21.5099 -21.5099 -15.4436 -15.4436 -15.3501 -15.3501 -14.6876 -14.6876 -14.5230 -14.5230 -9.3797 -9.3797 -9.1440 -9.1440 -7.9319 -7.9319 -7.9243 -7.9243 -6.9429 -6.9429 -6.9186 -6.9186 -6.5457 -6.5457 -6.5366 -6.5366 -6.3133 -6.3133 -6.1603 -6.1603 -4.6326 -4.6326 -4.5378 -4.5378 -4.3550 -4.3550 -4.3282 -4.3282 -3.8652 -3.8652 -3.7146 -3.7146 -0.9749 -0.9749 -0.7286 -0.7286 3.0933 3.0933 3.2595 3.2595 4.6978 4.6978 5.5303 5.5303 5.9718 5.9718 k =-0.1531 0.1273 0.0000 ( 6955 PWs) bands (ev): -21.5113 -21.5113 -21.5088 -21.5088 -15.4428 -15.4428 -15.3510 -15.3510 -14.6836 -14.6836 -14.5215 -14.5215 -9.3789 -9.3789 -9.1456 -9.1456 -7.9495 -7.9495 -7.9391 -7.9391 -6.9536 -6.9536 -6.9243 -6.9243 -6.5398 -6.5398 -6.5322 -6.5322 -6.3160 -6.3160 -6.1631 -6.1631 -4.6361 -4.6361 -4.5393 -4.5393 -4.3553 -4.3553 -4.3256 -4.3256 -3.8657 -3.8657 -3.7152 -3.7152 -0.9693 -0.9693 -0.7256 -0.7256 3.0988 3.0988 3.2724 3.2724 4.7576 4.7576 5.5631 5.5631 6.0328 6.0328 k =-0.1633 0.1357 0.0000 ( 6953 PWs) bands (ev): -21.5102 -21.5102 -21.5077 -21.5077 -15.4419 -15.4419 -15.3519 -15.3519 -14.6793 -14.6793 -14.5199 -14.5199 -9.3781 -9.3781 -9.1472 -9.1472 -7.9677 -7.9677 -7.9544 -7.9544 -6.9646 -6.9646 -6.9300 -6.9300 -6.5339 -6.5339 -6.5276 -6.5276 -6.3189 -6.3189 -6.1662 -6.1662 -4.6397 -4.6397 -4.5409 -4.5409 -4.3553 -4.3553 -4.3225 -4.3225 -3.8664 -3.8664 -3.7161 -3.7161 -0.9635 -0.9635 -0.7226 -0.7226 3.1054 3.1054 3.2861 3.2861 4.8198 4.8198 5.5980 5.5980 6.0973 6.0973 k =-0.1735 0.1442 0.0000 ( 6955 PWs) bands (ev): -21.5090 -21.5090 -21.5066 -21.5066 -15.4411 -15.4411 -15.3529 -15.3529 -14.6749 -14.6749 -14.5183 -14.5183 -9.3772 -9.3772 -9.1489 -9.1489 -7.9865 -7.9865 -7.9701 -7.9701 -6.9761 -6.9761 -6.9358 -6.9358 -6.5280 -6.5280 -6.5231 -6.5231 -6.3220 -6.3220 -6.1696 -6.1696 -4.6434 -4.6434 -4.5425 -4.5425 -4.3551 -4.3551 -4.3190 -4.3190 -3.8674 -3.8674 -3.7174 -3.7174 -0.9578 -0.9578 -0.7195 -0.7195 3.1131 3.1131 3.3008 3.3008 4.8842 4.8842 5.6349 5.6349 6.1654 6.1654 k =-0.1837 0.1527 0.0000 ( 6943 PWs) bands (ev): -21.5078 -21.5078 -21.5054 -21.5054 -15.4402 -15.4402 -15.3539 -15.3539 -14.6703 -14.6703 -14.5165 -14.5165 -9.3762 -9.3762 -9.1506 -9.1506 -8.0059 -8.0059 -7.9862 -7.9862 -6.9879 -6.9879 -6.9417 -6.9417 -6.5223 -6.5223 -6.5186 -6.5186 -6.3253 -6.3253 -6.1732 -6.1732 -4.6471 -4.6471 -4.5441 -4.5441 -4.3545 -4.3545 -4.3151 -4.3151 -3.8688 -3.8688 -3.7189 -3.7189 -0.9520 -0.9520 -0.7163 -0.7163 3.1220 3.1220 3.3163 3.3163 4.9507 4.9507 5.6739 5.6739 6.2370 6.2370 k =-0.1939 0.1612 0.0000 ( 6945 PWs) bands (ev): -21.5066 -21.5066 -21.5042 -21.5042 -15.4392 -15.4392 -15.3548 -15.3548 -14.6656 -14.6656 -14.5148 -14.5148 -9.3751 -9.3751 -9.1523 -9.1523 -8.0258 -8.0258 -8.0026 -8.0026 -6.9999 -6.9999 -6.9476 -6.9476 -6.5167 -6.5167 -6.5142 -6.5142 -6.3287 -6.3287 -6.1771 -6.1771 -4.6509 -4.6509 -4.5459 -4.5459 -4.3536 -4.3536 -4.3106 -4.3106 -3.8705 -3.8705 -3.7208 -3.7208 -0.9462 -0.9462 -0.7132 -0.7132 3.1319 3.1319 3.3326 3.3326 5.0189 5.0189 5.7148 5.7148 6.3119 6.3119 k =-0.2041 0.1697 0.0000 ( 6945 PWs) bands (ev): -21.5053 -21.5053 -21.5029 -21.5029 -15.4383 -15.4383 -15.3558 -15.3558 -14.6608 -14.6608 -14.5130 -14.5130 -9.3739 -9.3739 -9.1541 -9.1541 -8.0460 -8.0460 -8.0191 -8.0191 -7.0121 -7.0121 -6.9534 -6.9534 -6.5113 -6.5113 -6.5097 -6.5097 -6.3323 -6.3323 -6.1812 -6.1812 -4.6548 -4.6548 -4.5476 -4.5476 -4.3524 -4.3524 -4.3056 -4.3056 -3.8726 -3.8726 -3.7230 -3.7230 -0.9405 -0.9405 -0.7101 -0.7101 3.1428 3.1428 3.3497 3.3497 5.0887 5.0887 5.7576 5.7576 6.3900 6.3900 k =-0.2143 0.1782 0.0000 ( 6959 PWs) bands (ev): -21.5040 -21.5040 -21.5016 -21.5016 -15.4373 -15.4373 -15.3568 -15.3568 -14.6559 -14.6559 -14.5112 -14.5112 -9.3727 -9.3727 -9.1559 -9.1559 -8.0666 -8.0666 -8.0358 -8.0358 -7.0245 -7.0245 -6.9592 -6.9592 -6.5063 -6.5063 -6.5052 -6.5052 -6.3361 -6.3361 -6.1856 -6.1856 -4.6587 -4.6587 -4.5494 -4.5494 -4.3507 -4.3507 -4.3000 -4.3000 -3.8751 -3.8751 -3.7257 -3.7257 -0.9349 -0.9349 -0.7070 -0.7070 3.1547 3.1547 3.3676 3.3676 5.1598 5.1598 5.8022 5.8022 6.4713 6.4713 k =-0.2245 0.1866 0.0000 ( 6947 PWs) bands (ev): -21.5026 -21.5026 -21.5003 -21.5003 -15.4363 -15.4363 -15.3579 -15.3579 -14.6508 -14.6508 -14.5093 -14.5093 -9.3713 -9.3713 -9.1578 -9.1578 -8.0874 -8.0874 -8.0526 -8.0526 -7.0369 -7.0369 -6.9649 -6.9649 -6.5019 -6.5019 -6.5005 -6.5005 -6.3399 -6.3399 -6.1902 -6.1902 -4.6625 -4.6625 -4.5512 -4.5512 -4.3487 -4.3487 -4.2939 -4.2939 -3.8780 -3.8780 -3.7288 -3.7288 -0.9294 -0.9294 -0.7039 -0.7039 3.1676 3.1676 3.3861 3.3861 5.2320 5.2320 5.8486 5.8486 6.5555 6.5555 k =-0.2347 0.1951 0.0000 ( 6955 PWs) bands (ev): -21.5013 -21.5013 -21.4990 -21.4990 -15.4353 -15.4353 -15.3589 -15.3589 -14.6458 -14.6458 -14.5075 -14.5075 -9.3698 -9.3698 -9.1596 -9.1596 -8.1083 -8.1083 -8.0693 -8.0693 -7.0494 -7.0494 -6.9705 -6.9705 -6.4978 -6.4978 -6.4959 -6.4959 -6.3439 -6.3439 -6.1951 -6.1951 -4.6663 -4.6663 -4.5530 -4.5530 -4.3462 -4.3462 -4.2872 -4.2872 -3.8813 -3.8813 -3.7322 -3.7322 -0.9240 -0.9240 -0.7009 -0.7009 3.1814 3.1814 3.4052 3.4052 5.3051 5.3051 5.8967 5.8967 6.6425 6.6425 k =-0.2449 0.2036 0.0000 ( 6955 PWs) bands (ev): -21.5000 -21.5000 -21.4977 -21.4977 -15.4342 -15.4342 -15.3599 -15.3599 -14.6406 -14.6406 -14.5055 -14.5055 -9.3683 -9.3683 -9.1614 -9.1614 -8.1293 -8.1293 -8.0860 -8.0860 -7.0619 -7.0619 -6.9760 -6.9760 -6.4940 -6.4940 -6.4914 -6.4914 -6.3480 -6.3480 -6.2001 -6.2001 -4.6700 -4.6700 -4.5548 -4.5548 -4.3434 -4.3434 -4.2800 -4.2800 -3.8850 -3.8850 -3.7361 -3.7361 -0.9189 -0.9189 -0.6980 -0.6980 3.1960 3.1960 3.4249 3.4249 5.3788 5.3788 5.9463 5.9463 6.7321 6.7321 k =-0.2551 0.2121 0.0000 ( 6955 PWs) bands (ev): -21.4986 -21.4986 -21.4964 -21.4964 -15.4331 -15.4331 -15.3609 -15.3609 -14.6355 -14.6355 -14.5036 -14.5036 -9.3666 -9.3666 -9.1632 -9.1632 -8.1503 -8.1503 -8.1025 -8.1025 -7.0744 -7.0744 -6.9812 -6.9812 -6.4903 -6.4903 -6.4873 -6.4873 -6.3521 -6.3521 -6.2053 -6.2053 -4.6737 -4.6737 -4.5565 -4.5565 -4.3401 -4.3401 -4.2722 -4.2722 -3.8891 -3.8891 -3.7405 -3.7405 -0.9139 -0.9139 -0.6952 -0.6952 3.2114 3.2114 3.4450 3.4450 5.4529 5.4529 5.9975 5.9975 6.8242 6.8242 k =-0.2653 0.2206 0.0000 ( 6941 PWs) bands (ev): -21.4973 -21.4973 -21.4951 -21.4951 -15.4320 -15.4320 -15.3619 -15.3619 -14.6303 -14.6303 -14.5017 -14.5017 -9.3649 -9.3649 -9.1650 -9.1650 -8.1712 -8.1712 -8.1189 -8.1189 -7.0867 -7.0867 -6.9863 -6.9863 -6.4868 -6.4868 -6.4834 -6.4834 -6.3563 -6.3563 -6.2106 -6.2106 -4.6773 -4.6773 -4.5583 -4.5583 -4.3364 -4.3364 -4.2638 -4.2638 -3.8936 -3.8936 -3.7452 -3.7452 -0.9091 -0.9091 -0.6925 -0.6925 3.2273 3.2273 3.4655 3.4655 5.5271 5.5271 6.0499 6.0499 6.9185 6.9185 k =-0.2755 0.2291 0.0000 ( 6953 PWs) bands (ev): -21.4960 -21.4960 -21.4938 -21.4938 -15.4310 -15.4310 -15.3629 -15.3629 -14.6252 -14.6252 -14.4999 -14.4999 -9.3630 -9.3630 -9.1668 -9.1668 -8.1920 -8.1920 -8.1350 -8.1350 -7.0989 -7.0989 -6.9912 -6.9912 -6.4835 -6.4835 -6.4799 -6.4799 -6.3606 -6.3606 -6.2161 -6.2161 -4.6808 -4.6808 -4.5600 -4.5600 -4.3322 -4.3322 -4.2549 -4.2549 -3.8986 -3.8986 -3.7505 -3.7505 -0.9046 -0.9046 -0.6899 -0.6899 3.2438 3.2438 3.4863 3.4863 5.6010 5.6010 6.1037 6.1037 7.0146 7.0146 k =-0.2857 0.2375 0.0000 ( 6950 PWs) bands (ev): -21.4946 -21.4946 -21.4925 -21.4925 -15.4299 -15.4299 -15.3638 -15.3638 -14.6201 -14.6201 -14.4980 -14.4980 -9.3611 -9.3611 -9.1685 -9.1685 -8.2125 -8.2125 -8.1508 -8.1508 -7.1109 -7.1109 -6.9959 -6.9959 -6.4804 -6.4804 -6.4766 -6.4766 -6.3649 -6.3649 -6.2216 -6.2216 -4.6842 -4.6842 -4.5617 -4.5617 -4.3277 -4.3277 -4.2454 -4.2454 -3.9040 -3.9040 -3.7562 -3.7562 -0.9003 -0.9003 -0.6874 -0.6874 3.2608 3.2608 3.5074 3.5074 5.6745 5.6745 6.1585 6.1585 7.1121 7.1121 k =-0.2959 0.2460 0.0000 ( 6952 PWs) bands (ev): -21.4933 -21.4933 -21.4913 -21.4913 -15.4288 -15.4288 -15.3648 -15.3648 -14.6151 -14.6151 -14.4962 -14.4962 -9.3591 -9.3591 -9.1702 -9.1702 -8.2328 -8.2328 -8.1662 -8.1662 -7.1226 -7.1226 -7.0004 -7.0004 -6.4775 -6.4775 -6.4737 -6.4737 -6.3692 -6.3692 -6.2273 -6.2273 -4.6875 -4.6875 -4.5634 -4.5634 -4.3227 -4.3227 -4.2354 -4.2354 -3.9097 -3.9097 -3.7623 -3.7623 -0.8963 -0.8963 -0.6851 -0.6851 3.2781 3.2781 3.5285 3.5285 5.7470 5.7470 6.2143 6.2143 7.2099 7.2099 k =-0.3061 0.2545 0.0000 ( 6952 PWs) bands (ev): -21.4921 -21.4921 -21.4900 -21.4900 -15.4277 -15.4277 -15.3657 -15.3657 -14.6101 -14.6101 -14.4944 -14.4944 -9.3570 -9.3570 -9.1719 -9.1719 -8.2526 -8.2526 -8.1813 -8.1813 -7.1340 -7.1340 -7.0046 -7.0046 -6.4748 -6.4748 -6.4711 -6.4711 -6.3735 -6.3735 -6.2329 -6.2329 -4.6907 -4.6907 -4.5651 -4.5651 -4.3174 -4.3174 -4.2249 -4.2249 -3.9158 -3.9158 -3.7689 -3.7689 -0.8925 -0.8925 -0.6829 -0.6829 3.2956 3.2956 3.5496 3.5496 5.8184 5.8184 6.2710 6.2710 7.3061 7.3061 k =-0.3163 0.2630 0.0000 ( 6950 PWs) bands (ev): -21.4908 -21.4908 -21.4888 -21.4888 -15.4266 -15.4266 -15.3665 -15.3665 -14.6053 -14.6053 -14.4927 -14.4927 -9.3549 -9.3549 -9.1735 -9.1735 -8.2720 -8.2720 -8.1959 -8.1959 -7.1451 -7.1451 -7.0086 -7.0086 -6.4722 -6.4722 -6.4688 -6.4688 -6.3777 -6.3777 -6.2386 -6.2386 -4.6937 -4.6937 -4.5667 -4.5667 -4.3116 -4.3116 -4.2139 -4.2139 -3.9223 -3.9223 -3.7760 -3.7760 -0.8890 -0.8890 -0.6808 -0.6808 3.3132 3.3132 3.5707 3.5707 5.8882 5.8882 6.3283 6.3283 7.3953 7.3953 k =-0.3265 0.2715 0.0000 ( 6950 PWs) bands (ev): -21.4896 -21.4896 -21.4876 -21.4876 -15.4256 -15.4256 -15.3674 -15.3674 -14.6006 -14.6006 -14.4910 -14.4910 -9.3527 -9.3527 -9.1750 -9.1750 -8.2909 -8.2909 -8.2099 -8.2099 -7.1559 -7.1559 -7.0123 -7.0123 -6.4698 -6.4698 -6.4667 -6.4667 -6.3819 -6.3819 -6.2443 -6.2443 -4.6965 -4.6965 -4.5682 -4.5682 -4.3056 -4.3056 -4.2025 -4.2025 -3.9291 -3.9291 -3.7835 -3.7835 -0.8857 -0.8857 -0.6788 -0.6788 3.3308 3.3308 3.5915 3.5915 5.9559 5.9559 6.3862 6.3862 7.4610 7.4610 k =-0.3367 0.2800 0.0000 ( 6956 PWs) bands (ev): -21.4884 -21.4884 -21.4865 -21.4865 -15.4246 -15.4246 -15.3682 -15.3682 -14.5960 -14.5960 -14.4894 -14.4894 -9.3505 -9.3505 -9.1765 -9.1765 -8.3092 -8.3092 -8.2235 -8.2235 -7.1662 -7.1662 -7.0158 -7.0158 -6.4676 -6.4676 -6.4649 -6.4649 -6.3860 -6.3860 -6.2498 -6.2498 -4.6993 -4.6993 -4.5697 -4.5697 -4.2992 -4.2992 -4.1907 -4.1907 -3.9362 -3.9362 -3.7915 -3.7915 -0.8827 -0.8827 -0.6770 -0.6770 3.3483 3.3483 3.6120 3.6120 6.0212 6.0212 6.4443 6.4443 7.4672 7.4672 k =-0.3469 0.2885 0.0000 ( 6956 PWs) bands (ev): -21.4873 -21.4873 -21.4854 -21.4854 -15.4236 -15.4236 -15.3689 -15.3689 -14.5917 -14.5917 -14.4878 -14.4878 -9.3483 -9.3483 -9.1779 -9.1779 -8.3269 -8.3269 -8.2364 -8.2364 -7.1761 -7.1761 -7.0190 -7.0190 -6.4656 -6.4656 -6.4634 -6.4634 -6.3900 -6.3900 -6.2553 -6.2553 -4.7018 -4.7018 -4.5712 -4.5712 -4.2925 -4.2925 -4.1784 -4.1784 -3.9436 -3.9436 -3.7999 -3.7999 -0.8799 -0.8799 -0.6754 -0.6754 3.3655 3.3655 3.6320 3.6320 6.0836 6.0836 6.5026 6.5026 7.4463 7.4464 k =-0.3571 0.2969 0.0000 ( 6972 PWs) bands (ev): -21.4863 -21.4863 -21.4843 -21.4843 -15.4227 -15.4227 -15.3697 -15.3697 -14.5875 -14.5875 -14.4863 -14.4863 -9.3461 -9.3461 -9.1793 -9.1793 -8.3438 -8.3438 -8.2487 -8.2487 -7.1855 -7.1855 -7.0220 -7.0220 -6.4638 -6.4638 -6.4621 -6.4621 -6.3939 -6.3939 -6.2607 -6.2607 -4.7042 -4.7042 -4.5726 -4.5726 -4.2855 -4.2855 -4.1659 -4.1659 -3.9513 -3.9513 -3.8087 -3.8087 -0.8774 -0.8774 -0.6739 -0.6739 3.3824 3.3824 3.6515 3.6515 6.1427 6.1427 6.5608 6.5608 7.4197 7.4264 k =-0.3673 0.3054 0.0000 ( 6968 PWs) bands (ev): -21.4852 -21.4852 -21.4834 -21.4834 -15.4218 -15.4218 -15.3703 -15.3703 -14.5834 -14.5834 -14.4849 -14.4849 -9.3438 -9.3438 -9.1805 -9.1805 -8.3599 -8.3599 -8.2603 -8.2603 -7.1944 -7.1944 -7.0247 -7.0247 -6.4621 -6.4621 -6.4610 -6.4610 -6.3976 -6.3976 -6.2658 -6.2658 -4.7065 -4.7065 -4.5738 -4.5738 -4.2783 -4.2783 -4.1530 -4.1530 -3.9590 -3.9590 -3.8180 -3.8180 -0.8751 -0.8751 -0.6725 -0.6725 3.3987 3.3987 3.6704 3.6704 6.1980 6.1980 6.6187 6.6188 7.3818 7.3818 k =-0.3776 0.3139 0.0000 ( 6962 PWs) bands (ev): -21.4843 -21.4843 -21.4824 -21.4824 -15.4209 -15.4209 -15.3710 -15.3710 -14.5796 -14.5796 -14.4835 -14.4835 -9.3417 -9.3417 -9.1817 -9.1817 -8.3751 -8.3751 -8.2712 -8.2712 -7.2028 -7.2028 -7.0272 -7.0272 -6.4607 -6.4607 -6.4600 -6.4600 -6.4011 -6.4011 -6.2708 -6.2708 -4.7086 -4.7086 -4.5750 -4.5750 -4.2709 -4.2709 -4.1398 -4.1398 -3.9670 -3.9670 -3.8276 -3.8276 -0.8731 -0.8731 -0.6712 -0.6712 3.4145 3.4145 3.6884 3.6884 6.2491 6.2491 6.6761 6.6761 7.3441 7.3441 k =-0.3878 0.3224 0.0000 ( 6958 PWs) bands (ev): -21.4834 -21.4834 -21.4815 -21.4815 -15.4201 -15.4201 -15.3715 -15.3715 -14.5761 -14.5761 -14.4823 -14.4823 -9.3396 -9.3396 -9.1828 -9.1828 -8.3894 -8.3894 -8.2814 -8.2814 -7.2105 -7.2105 -7.0294 -7.0294 -6.4596 -6.4596 -6.4590 -6.4590 -6.4044 -6.4044 -6.2755 -6.2755 -4.7105 -4.7105 -4.5762 -4.5762 -4.2634 -4.2634 -4.1263 -4.1263 -3.9750 -3.9750 -3.8377 -3.8377 -0.8712 -0.8712 -0.6701 -0.6701 3.4295 3.4295 3.7055 3.7055 6.2956 6.2956 6.7326 6.7326 7.3080 7.3080 k =-0.3980 0.3309 0.0000 ( 6966 PWs) bands (ev): -21.4825 -21.4825 -21.4807 -21.4807 -15.4194 -15.4194 -15.3721 -15.3721 -14.5728 -14.5728 -14.4811 -14.4811 -9.3375 -9.3375 -9.1838 -9.1838 -8.4027 -8.4027 -8.2908 -8.2908 -7.2177 -7.2177 -7.0314 -7.0314 -6.4589 -6.4589 -6.4578 -6.4578 -6.4075 -6.4075 -6.2799 -6.2799 -4.7122 -4.7122 -4.5772 -4.5772 -4.2559 -4.2559 -4.1127 -4.1127 -3.9830 -3.9830 -3.8482 -3.8482 -0.8696 -0.8696 -0.6691 -0.6691 3.4436 3.4436 3.7216 3.7216 6.3372 6.3372 6.7879 6.7879 7.2740 7.2740 k =-0.4082 0.3394 0.0000 ( 6970 PWs) bands (ev): -21.4818 -21.4818 -21.4800 -21.4800 -15.4187 -15.4187 -15.3726 -15.3726 -14.5698 -14.5698 -14.4800 -14.4800 -9.3356 -9.3356 -9.1847 -9.1847 -8.4150 -8.4150 -8.2994 -8.2994 -7.2243 -7.2243 -7.0331 -7.0331 -6.4585 -6.4585 -6.4567 -6.4567 -6.4104 -6.4104 -6.2840 -6.2840 -4.7138 -4.7138 -4.5782 -4.5782 -4.2484 -4.2484 -4.0989 -4.0989 -3.9910 -3.9910 -3.8591 -3.8591 -0.8682 -0.8682 -0.6682 -0.6682 3.4568 3.4568 3.7365 3.7365 6.3738 6.3738 6.8418 6.8418 7.2426 7.2426 k =-0.4184 0.3478 0.0000 ( 6974 PWs) bands (ev): -21.4811 -21.4811 -21.4793 -21.4793 -15.4180 -15.4180 -15.3730 -15.3730 -14.5670 -14.5670 -14.4791 -14.4791 -9.3338 -9.3338 -9.1855 -9.1855 -8.4261 -8.4261 -8.3071 -8.3071 -7.2302 -7.2302 -7.0347 -7.0347 -6.4581 -6.4581 -6.4558 -6.4558 -6.4130 -6.4130 -6.2878 -6.2878 -4.7153 -4.7153 -4.5790 -4.5790 -4.2410 -4.2410 -4.0850 -4.0850 -3.9988 -3.9988 -3.8702 -3.8702 -0.8669 -0.8669 -0.6674 -0.6674 3.4689 3.4689 3.7502 3.7502 6.4052 6.4052 6.8936 6.8936 7.2140 7.2140 k =-0.4286 0.3563 0.0000 ( 6994 PWs) bands (ev): -21.4805 -21.4805 -21.4787 -21.4787 -15.4174 -15.4174 -15.3734 -15.3734 -14.5646 -14.5646 -14.4782 -14.4782 -9.3321 -9.3321 -9.1862 -9.1862 -8.4361 -8.4361 -8.3140 -8.3140 -7.2356 -7.2356 -7.0361 -7.0361 -6.4579 -6.4579 -6.4550 -6.4550 -6.4154 -6.4154 -6.2912 -6.2912 -4.7165 -4.7165 -4.5799 -4.5799 -4.2338 -4.2338 -4.0711 -4.0711 -4.0063 -4.0063 -3.8818 -3.8818 -0.8659 -0.8659 -0.6667 -0.6667 3.4798 3.4798 3.7625 3.7625 6.4317 6.4317 6.9429 6.9429 7.1884 7.1884 k =-0.4388 0.3648 0.0000 ( 6978 PWs) bands (ev): -21.4799 -21.4799 -21.4782 -21.4782 -15.4169 -15.4169 -15.3738 -15.3738 -14.5624 -14.5624 -14.4775 -14.4775 -9.3306 -9.3306 -9.1869 -9.1869 -8.4448 -8.4448 -8.3200 -8.3200 -7.2402 -7.2402 -7.0373 -7.0373 -6.4577 -6.4577 -6.4543 -6.4543 -6.4175 -6.4175 -6.2942 -6.2942 -4.7176 -4.7176 -4.5805 -4.5805 -4.2271 -4.2271 -4.0571 -4.0571 -4.0134 -4.0134 -3.8936 -3.8936 -0.8650 -0.8650 -0.6662 -0.6662 3.4895 3.4895 3.7734 3.7734 6.4535 6.4535 6.9890 6.9890 7.1659 7.1659 k =-0.4490 0.3733 0.0000 ( 6976 PWs) bands (ev): -21.4795 -21.4795 -21.4777 -21.4777 -15.4165 -15.4165 -15.3741 -15.3741 -14.5606 -14.5606 -14.4768 -14.4768 -9.3293 -9.3293 -9.1874 -9.1874 -8.4523 -8.4523 -8.3251 -8.3251 -7.2441 -7.2441 -7.0382 -7.0382 -6.4575 -6.4575 -6.4537 -6.4537 -6.4192 -6.4192 -6.2968 -6.2968 -4.7185 -4.7185 -4.5811 -4.5811 -4.2208 -4.2208 -4.0431 -4.0431 -4.0199 -4.0199 -3.9057 -3.9057 -0.8642 -0.8642 -0.6657 -0.6657 3.4978 3.4978 3.7828 3.7828 6.4709 6.4709 7.0311 7.0311 7.1468 7.1468 k =-0.4592 0.3818 0.0000 ( 6978 PWs) bands (ev): -21.4791 -21.4791 -21.4773 -21.4773 -15.4161 -15.4161 -15.3743 -15.3743 -14.5591 -14.5591 -14.4763 -14.4763 -9.3282 -9.3282 -9.1878 -9.1878 -8.4585 -8.4585 -8.3293 -8.3293 -7.2473 -7.2473 -7.0390 -7.0390 -6.4575 -6.4575 -6.4532 -6.4532 -6.4207 -6.4207 -6.2990 -6.2990 -4.7193 -4.7193 -4.5816 -4.5816 -4.2153 -4.2153 -4.0295 -4.0295 -4.0254 -4.0254 -3.9180 -3.9180 -0.8636 -0.8636 -0.6653 -0.6653 3.5047 3.5047 3.7906 3.7906 6.4844 6.4844 7.0682 7.0682 7.1309 7.1309 k =-0.4694 0.3903 0.0000 ( 6978 PWs) bands (ev): -21.4788 -21.4788 -21.4771 -21.4771 -15.4158 -15.4158 -15.3745 -15.3745 -14.5579 -14.5579 -14.4759 -14.4759 -9.3273 -9.3273 -9.1882 -9.1882 -8.4633 -8.4633 -8.3326 -8.3326 -7.2498 -7.2498 -7.0396 -7.0396 -6.4574 -6.4574 -6.4529 -6.4529 -6.4219 -6.4219 -6.3006 -6.3006 -4.7199 -4.7199 -4.5819 -4.5819 -4.2107 -4.2107 -4.0306 -4.0306 -4.0155 -4.0155 -3.9304 -3.9304 -0.8631 -0.8631 -0.6650 -0.6650 3.5102 3.5102 3.7967 3.7967 6.4943 6.4943 7.0991 7.0991 7.1186 7.1186 k =-0.4796 0.3987 0.0000 ( 6972 PWs) bands (ev): -21.4786 -21.4786 -21.4768 -21.4768 -15.4156 -15.4156 -15.3747 -15.3747 -14.5570 -14.5570 -14.4756 -14.4756 -9.3267 -9.3267 -9.1884 -9.1884 -8.4668 -8.4668 -8.3350 -8.3350 -7.2517 -7.2517 -7.0400 -7.0400 -6.4574 -6.4574 -6.4526 -6.4526 -6.4227 -6.4227 -6.3018 -6.3018 -4.7203 -4.7203 -4.5821 -4.5821 -4.2072 -4.2072 -4.0341 -4.0341 -4.0024 -4.0024 -3.9426 -3.9426 -0.8628 -0.8628 -0.6648 -0.6648 3.5141 3.5141 3.8011 3.8011 6.5011 6.5011 7.1097 7.1097 7.1226 7.1226 k =-0.4898 0.4072 0.0000 ( 6972 PWs) bands (ev): -21.4785 -21.4785 -21.4767 -21.4767 -15.4155 -15.4155 -15.3747 -15.3747 -14.5565 -14.5565 -14.4754 -14.4754 -9.3263 -9.3263 -9.1886 -9.1886 -8.4689 -8.4689 -8.3364 -8.3364 -7.2527 -7.2527 -7.0402 -7.0402 -6.4574 -6.4574 -6.4524 -6.4524 -6.4232 -6.4232 -6.3026 -6.3026 -4.7205 -4.7205 -4.5823 -4.5823 -4.2050 -4.2050 -4.0364 -4.0364 -3.9907 -3.9907 -3.9539 -3.9539 -0.8626 -0.8626 -0.6647 -0.6647 3.5165 3.5165 3.8037 3.8037 6.5050 6.5050 7.1043 7.1043 7.1373 7.1373 k =-0.5000 0.4157 0.0000 ( 6950 PWs) bands (ev): -21.4784 -21.4784 -21.4767 -21.4767 -15.4154 -15.4154 -15.3747 -15.3747 -14.5563 -14.5563 -14.4753 -14.4753 -9.3262 -9.3262 -9.1886 -9.1886 -8.4696 -8.4696 -8.3369 -8.3369 -7.2531 -7.2531 -7.0402 -7.0402 -6.4574 -6.4574 -6.4524 -6.4524 -6.4233 -6.4233 -6.3028 -6.3028 -4.7206 -4.7206 -4.5823 -4.5823 -4.2043 -4.2043 -4.0371 -4.0371 -3.9845 -3.9845 -3.9598 -3.9598 -0.8626 -0.8626 -0.6646 -0.6646 3.5173 3.5173 3.8047 3.8047 6.5063 6.5063 7.1025 7.1025 7.1423 7.1423 k =-0.5000 0.4157 0.0000 ( 6950 PWs) bands (ev): -21.4784 -21.4784 -21.4767 -21.4767 -15.4154 -15.4154 -15.3747 -15.3747 -14.5563 -14.5563 -14.4753 -14.4753 -9.3262 -9.3262 -9.1886 -9.1886 -8.4696 -8.4696 -8.3369 -8.3369 -7.2531 -7.2531 -7.0402 -7.0402 -6.4574 -6.4574 -6.4524 -6.4524 -6.4233 -6.4233 -6.3028 -6.3028 -4.7206 -4.7206 -4.5823 -4.5823 -4.2043 -4.2043 -4.0371 -4.0371 -3.9845 -3.9845 -3.9598 -3.9598 -0.8626 -0.8626 -0.6646 -0.6646 3.5173 3.5173 3.8047 3.8047 6.5063 6.5063 7.1025 7.1025 7.1423 7.1423 k =-0.4914 0.4260-0.0000 ( 6966 PWs) bands (ev): -21.4784 -21.4784 -21.4767 -21.4767 -15.4155 -15.4155 -15.3748 -15.3748 -14.5563 -14.5563 -14.4755 -14.4755 -9.3261 -9.3261 -9.1887 -9.1887 -8.4692 -8.4692 -8.3365 -8.3365 -7.2529 -7.2529 -7.0401 -7.0401 -6.4569 -6.4569 -6.4516 -6.4516 -6.4235 -6.4235 -6.3027 -6.3027 -4.7209 -4.7209 -4.5820 -4.5820 -4.2048 -4.2048 -4.0374 -4.0374 -3.9848 -3.9848 -3.9607 -3.9607 -0.8620 -0.8620 -0.6644 -0.6644 3.5172 3.5172 3.8044 3.8044 6.5073 6.5073 7.1002 7.1002 7.1427 7.1427 k =-0.4828 0.4363-0.0000 ( 6968 PWs) bands (ev): -21.4785 -21.4785 -21.4768 -21.4768 -15.4157 -15.4157 -15.3751 -15.3751 -14.5563 -14.5563 -14.4759 -14.4759 -9.3257 -9.3257 -9.1891 -9.1891 -8.4679 -8.4679 -8.3354 -8.3354 -7.2521 -7.2521 -7.0397 -7.0397 -6.4555 -6.4555 -6.4492 -6.4492 -6.4240 -6.4240 -6.3024 -6.3024 -4.7219 -4.7219 -4.5809 -4.5809 -4.2064 -4.2064 -4.0382 -4.0382 -3.9857 -3.9857 -3.9633 -3.9633 -0.8605 -0.8605 -0.6637 -0.6637 3.5170 3.5170 3.8035 3.8035 6.5102 6.5102 7.0931 7.0931 7.1438 7.1438 k =-0.4743 0.4467-0.0000 ( 6972 PWs) bands (ev): -21.4786 -21.4786 -21.4769 -21.4769 -15.4159 -15.4159 -15.3755 -15.3755 -14.5563 -14.5563 -14.4766 -14.4766 -9.3250 -9.3250 -9.1898 -9.1898 -8.4657 -8.4657 -8.3334 -8.3334 -7.2509 -7.2509 -7.0389 -7.0389 -6.4530 -6.4530 -6.4455 -6.4455 -6.4249 -6.4249 -6.3019 -6.3019 -4.7235 -4.7235 -4.5792 -4.5792 -4.2090 -4.2090 -4.0396 -4.0396 -3.9872 -3.9872 -3.9675 -3.9675 -0.8579 -0.8579 -0.6625 -0.6625 3.5167 3.5167 3.8020 3.8020 6.5151 6.5151 7.0814 7.0814 7.1457 7.1457 k =-0.4657 0.4570-0.0000 ( 6970 PWs) bands (ev): -21.4787 -21.4787 -21.4770 -21.4770 -15.4163 -15.4163 -15.3760 -15.3760 -14.5563 -14.5563 -14.4776 -14.4776 -9.3241 -9.3241 -9.1907 -9.1907 -8.4627 -8.4627 -8.3308 -8.3308 -7.2492 -7.2492 -7.0379 -7.0379 -6.4494 -6.4494 -6.4405 -6.4405 -6.4259 -6.4259 -6.3011 -6.3011 -4.7257 -4.7257 -4.5768 -4.5768 -4.2127 -4.2127 -4.0415 -4.0415 -3.9892 -3.9892 -3.9734 -3.9734 -0.8544 -0.8544 -0.6608 -0.6608 3.5163 3.5163 3.7999 3.7999 6.5218 6.5218 7.0648 7.0648 7.1484 7.1484 k =-0.4571 0.4673-0.0000 ( 6966 PWs) bands (ev): -21.4789 -21.4789 -21.4772 -21.4772 -15.4167 -15.4167 -15.3767 -15.3767 -14.5562 -14.5562 -14.4789 -14.4789 -9.3230 -9.3230 -9.1919 -9.1919 -8.4588 -8.4588 -8.3273 -8.3273 -7.2470 -7.2470 -7.0365 -7.0365 -6.4446 -6.4446 -6.4349 -6.4349 -6.4268 -6.4268 -6.3002 -6.3002 -4.7283 -4.7283 -4.5739 -4.5739 -4.2173 -4.2173 -4.0439 -4.0439 -3.9919 -3.9919 -3.9809 -3.9809 -0.8499 -0.8499 -0.6587 -0.6587 3.5157 3.5157 3.7972 3.7972 6.5302 6.5302 7.0435 7.0435 7.1519 7.1519 k =-0.4485 0.4776-0.0000 ( 6978 PWs) bands (ev): -21.4792 -21.4792 -21.4775 -21.4775 -15.4173 -15.4173 -15.3775 -15.3775 -14.5562 -14.5562 -14.4805 -14.4805 -9.3216 -9.3216 -9.1934 -9.1934 -8.4541 -8.4541 -8.3231 -8.3231 -7.2443 -7.2443 -7.0349 -7.0349 -6.4387 -6.4387 -6.4315 -6.4315 -6.4244 -6.4244 -6.2991 -6.2991 -4.7313 -4.7313 -4.5706 -4.5706 -4.2228 -4.2228 -4.0468 -4.0468 -3.9951 -3.9951 -3.9899 -3.9899 -0.8446 -0.8446 -0.6562 -0.6562 3.5150 3.5150 3.7938 3.7938 6.5402 6.5402 7.0173 7.0173 7.1562 7.1562 k =-0.4400 0.4879-0.0000 ( 6982 PWs) bands (ev): -21.4794 -21.4794 -21.4778 -21.4778 -15.4180 -15.4180 -15.3785 -15.3785 -14.5562 -14.5562 -14.4823 -14.4823 -9.3200 -9.3200 -9.1951 -9.1951 -8.4486 -8.4486 -8.3182 -8.3182 -7.2412 -7.2412 -7.0330 -7.0330 -6.4329 -6.4329 -6.4312 -6.4312 -6.4170 -6.4170 -6.2979 -6.2979 -4.7347 -4.7347 -4.5668 -4.5668 -4.2292 -4.2292 -4.0502 -4.0502 -4.0005 -4.0005 -3.9986 -3.9986 -0.8384 -0.8384 -0.6534 -0.6534 3.5141 3.5141 3.7899 3.7899 6.5516 6.5516 6.9863 6.9863 7.1612 7.1612 k =-0.4314 0.4982-0.0000 ( 6978 PWs) bands (ev): -21.4797 -21.4797 -21.4781 -21.4781 -15.4187 -15.4187 -15.3795 -15.3795 -14.5562 -14.5562 -14.4844 -14.4844 -9.3181 -9.3181 -9.1971 -9.1971 -8.4422 -8.4422 -8.3126 -8.3126 -7.2376 -7.2376 -7.0308 -7.0308 -6.4345 -6.4345 -6.4235 -6.4235 -6.4078 -6.4078 -6.2966 -6.2966 -4.7382 -4.7382 -4.5628 -4.5628 -4.2363 -4.2363 -4.0541 -4.0541 -4.0120 -4.0120 -4.0030 -4.0030 -0.8315 -0.8315 -0.6502 -0.6502 3.5131 3.5131 3.7853 3.7853 6.5642 6.5642 6.9506 6.9506 7.1671 7.1671 k =-0.4228 0.5085-0.0000 ( 6970 PWs) bands (ev): -21.4801 -21.4801 -21.4784 -21.4784 -15.4195 -15.4195 -15.3806 -15.3806 -14.5562 -14.5562 -14.4867 -14.4867 -9.3160 -9.3160 -9.1993 -9.1993 -8.4351 -8.4351 -8.3062 -8.3062 -7.2336 -7.2336 -7.0282 -7.0282 -6.4367 -6.4367 -6.4145 -6.4145 -6.3977 -6.3977 -6.2951 -6.2951 -4.7419 -4.7419 -4.5585 -4.5585 -4.2440 -4.2440 -4.0585 -4.0585 -4.0248 -4.0248 -4.0078 -4.0078 -0.8239 -0.8239 -0.6468 -0.6468 3.5119 3.5119 3.7801 3.7801 6.5777 6.5777 6.9103 6.9103 7.1738 7.1738 k =-0.4228 0.5085-0.0000 ( 6970 PWs) bands (ev): -21.4801 -21.4801 -21.4784 -21.4784 -15.4195 -15.4195 -15.3806 -15.3806 -14.5562 -14.5562 -14.4867 -14.4867 -9.3160 -9.3160 -9.1993 -9.1993 -8.4351 -8.4351 -8.3062 -8.3062 -7.2336 -7.2336 -7.0282 -7.0282 -6.4367 -6.4367 -6.4145 -6.4145 -6.3977 -6.3977 -6.2951 -6.2951 -4.7419 -4.7419 -4.5585 -4.5585 -4.2440 -4.2440 -4.0585 -4.0585 -4.0248 -4.0248 -4.0078 -4.0078 -0.8239 -0.8239 -0.6468 -0.6468 3.5119 3.5119 3.7801 3.7801 6.5777 6.5777 6.9103 6.9103 7.1738 7.1738 k =-0.4228 0.5085 0.0131 ( 6976 PWs) bands (ev): -21.4801 -21.4801 -21.4785 -21.4785 -15.4194 -15.4194 -15.3808 -15.3808 -14.5560 -14.5560 -14.4869 -14.4869 -9.3157 -9.3157 -9.1996 -9.1996 -8.4348 -8.4348 -8.3066 -8.3066 -7.2330 -7.2330 -7.0288 -7.0288 -6.4368 -6.4368 -6.4144 -6.4144 -6.3974 -6.3974 -6.2953 -6.2953 -4.7415 -4.7415 -4.5593 -4.5593 -4.2431 -4.2431 -4.0584 -4.0584 -4.0253 -4.0253 -4.0079 -4.0079 -0.8234 -0.8234 -0.6473 -0.6473 3.5126 3.5126 3.7794 3.7794 6.5796 6.5796 6.9109 6.9109 7.1744 7.1744 k =-0.4228 0.5085 0.0263 ( 6974 PWs) bands (ev): -21.4801 -21.4801 -21.4785 -21.4785 -15.4191 -15.4191 -15.3811 -15.3811 -14.5554 -14.5554 -14.4874 -14.4874 -9.3148 -9.3148 -9.2006 -9.2006 -8.4339 -8.4339 -8.3078 -8.3078 -7.2311 -7.2311 -7.0303 -7.0303 -6.4371 -6.4371 -6.4144 -6.4144 -6.3965 -6.3965 -6.2960 -6.2960 -4.7404 -4.7404 -4.5617 -4.5617 -4.2403 -4.2403 -4.0580 -4.0580 -4.0267 -4.0267 -4.0083 -4.0083 -0.8220 -0.8220 -0.6488 -0.6488 3.5146 3.5146 3.7770 3.7770 6.5854 6.5854 6.9126 6.9126 7.1763 7.1763 k =-0.4228 0.5085 0.0394 ( 6974 PWs) bands (ev): -21.4801 -21.4801 -21.4785 -21.4785 -15.4186 -15.4186 -15.3817 -15.3817 -14.5544 -14.5544 -14.4883 -14.4883 -9.3132 -9.3132 -9.2022 -9.2022 -8.4324 -8.4324 -8.3099 -8.3099 -7.2281 -7.2281 -7.0329 -7.0329 -6.4374 -6.4374 -6.4144 -6.4144 -6.3949 -6.3949 -6.2971 -6.2971 -4.7386 -4.7386 -4.5657 -4.5657 -4.2359 -4.2359 -4.0573 -4.0573 -4.0289 -4.0289 -4.0090 -4.0090 -0.8197 -0.8197 -0.6513 -0.6513 3.5180 3.5180 3.7731 3.7731 6.5950 6.5950 6.9153 6.9153 7.1793 7.1793 k =-0.4228 0.5085 0.0525 ( 6965 PWs) bands (ev): -21.4800 -21.4800 -21.4785 -21.4785 -15.4179 -15.4179 -15.3824 -15.3824 -14.5531 -14.5531 -14.4896 -14.4896 -9.3111 -9.3111 -9.2044 -9.2044 -8.4302 -8.4302 -8.3127 -8.3127 -7.2239 -7.2239 -7.0365 -7.0365 -6.4378 -6.4378 -6.4146 -6.4146 -6.3926 -6.3926 -6.2987 -6.2987 -4.7361 -4.7361 -4.5710 -4.5710 -4.2299 -4.2299 -4.0564 -4.0564 -4.0320 -4.0320 -4.0099 -4.0099 -0.8166 -0.8166 -0.6548 -0.6548 3.5227 3.5227 3.7676 3.7676 6.6084 6.6084 6.9189 6.9189 7.1835 7.1835 k =-0.4228 0.5085 0.0656 ( 6973 PWs) bands (ev): -21.4800 -21.4800 -21.4786 -21.4786 -15.4171 -15.4171 -15.3834 -15.3834 -14.5514 -14.5514 -14.4912 -14.4912 -9.3084 -9.3084 -9.2073 -9.2073 -8.4275 -8.4275 -8.3162 -8.3162 -7.2186 -7.2186 -7.0411 -7.0411 -6.4381 -6.4381 -6.4152 -6.4152 -6.3896 -6.3896 -6.3007 -6.3007 -4.7329 -4.7329 -4.5775 -4.5775 -4.2225 -4.2225 -4.0552 -4.0552 -4.0359 -4.0359 -4.0110 -4.0110 -0.8125 -0.8125 -0.6592 -0.6592 3.5287 3.5287 3.7608 3.7608 6.6252 6.6252 6.9233 6.9233 7.1888 7.1888 k =-0.4228 0.5085 0.0788 ( 6979 PWs) bands (ev): -21.4799 -21.4799 -21.4786 -21.4786 -15.4160 -15.4160 -15.3846 -15.3846 -14.5494 -14.5494 -14.4931 -14.4931 -9.3051 -9.3051 -9.2107 -9.2107 -8.4243 -8.4243 -8.3203 -8.3203 -7.2124 -7.2124 -7.0466 -7.0466 -6.4383 -6.4383 -6.4161 -6.4161 -6.3860 -6.3860 -6.3032 -6.3032 -4.7290 -4.7290 -4.5849 -4.5849 -4.2141 -4.2141 -4.0540 -4.0540 -4.0406 -4.0406 -4.0124 -4.0124 -0.8077 -0.8077 -0.6645 -0.6645 3.5359 3.5359 3.7526 3.7526 6.6454 6.6454 6.9281 6.9281 7.1951 7.1951 k =-0.4228 0.5085 0.0919 ( 6967 PWs) bands (ev): -21.4799 -21.4799 -21.4787 -21.4787 -15.4148 -15.4148 -15.3860 -15.3860 -14.5470 -14.5470 -14.4954 -14.4954 -9.3013 -9.3013 -9.2146 -9.2146 -8.4205 -8.4205 -8.3251 -8.3251 -7.2051 -7.2051 -7.0529 -7.0529 -6.4383 -6.4383 -6.4172 -6.4172 -6.3819 -6.3819 -6.3060 -6.3060 -4.7245 -4.7245 -4.5931 -4.5931 -4.2046 -4.2046 -4.0530 -4.0530 -4.0455 -4.0455 -4.0140 -4.0140 -0.8021 -0.8021 -0.6705 -0.6705 3.5442 3.5442 3.7433 3.7433 6.6687 6.6687 6.9331 6.9331 7.2022 7.2022 k =-0.4228 0.5085 0.1050 ( 6967 PWs) bands (ev): -21.4798 -21.4798 -21.4787 -21.4787 -15.4134 -15.4134 -15.3875 -15.3875 -14.5444 -14.5444 -14.4979 -14.4979 -9.2971 -9.2971 -9.2190 -9.2190 -8.4162 -8.4162 -8.3304 -8.3304 -7.1971 -7.1971 -7.0601 -7.0601 -6.4380 -6.4380 -6.4185 -6.4185 -6.3774 -6.3774 -6.3093 -6.3093 -4.7193 -4.7193 -4.6019 -4.6019 -4.1945 -4.1945 -4.0551 -4.0551 -4.0479 -4.0479 -4.0158 -4.0158 -0.7958 -0.7958 -0.6773 -0.6773 3.5536 3.5536 3.7328 3.7328 6.6946 6.6946 6.9377 6.9377 7.2101 7.2101 k =-0.4228 0.5085 0.1181 ( 6978 PWs) bands (ev): -21.4798 -21.4798 -21.4788 -21.4788 -15.4119 -15.4119 -15.3891 -15.3891 -14.5415 -14.5415 -14.5007 -14.5007 -9.2924 -9.2924 -9.2238 -9.2238 -8.4114 -8.4114 -8.3362 -8.3362 -7.1883 -7.1883 -7.0680 -7.0680 -6.4376 -6.4376 -6.4201 -6.4201 -6.3726 -6.3726 -6.3129 -6.3129 -4.7135 -4.7135 -4.6111 -4.6111 -4.1839 -4.1839 -4.0614 -4.0614 -4.0468 -4.0468 -4.0178 -4.0178 -0.7888 -0.7888 -0.6848 -0.6848 3.5640 3.5640 3.7213 3.7213 6.7228 6.7228 6.9414 6.9414 7.2187 7.2187 k =-0.4228 0.5085 0.1313 ( 6989 PWs) bands (ev): -21.4797 -21.4797 -21.4789 -21.4789 -15.4103 -15.4103 -15.3909 -15.3909 -14.5384 -14.5384 -14.5037 -14.5037 -9.2874 -9.2874 -9.2290 -9.2290 -8.4063 -8.4063 -8.3423 -8.3423 -7.1789 -7.1789 -7.0767 -7.0767 -6.4369 -6.4369 -6.4217 -6.4217 -6.3675 -6.3675 -6.3169 -6.3169 -4.7071 -4.7071 -4.6205 -4.6205 -4.1728 -4.1728 -4.0690 -4.0690 -4.0448 -4.0448 -4.0200 -4.0200 -0.7812 -0.7812 -0.6928 -0.6928 3.5753 3.5753 3.7091 3.7091 6.7527 6.7527 6.9434 6.9434 7.2278 7.2278 k =-0.4228 0.5085 0.1444 ( 6987 PWs) bands (ev): -21.4796 -21.4796 -21.4789 -21.4789 -15.4085 -15.4085 -15.3928 -15.3928 -14.5351 -14.5351 -14.5069 -14.5069 -9.2820 -9.2820 -9.2345 -9.2345 -8.4007 -8.4007 -8.3486 -8.3486 -7.1690 -7.1690 -7.0859 -7.0859 -6.4360 -6.4360 -6.4235 -6.4235 -6.3623 -6.3623 -6.3212 -6.3212 -4.7001 -4.7001 -4.6301 -4.6301 -4.1616 -4.1616 -4.0775 -4.0775 -4.0425 -4.0425 -4.0222 -4.0222 -0.7732 -0.7732 -0.7012 -0.7012 3.5873 3.5873 3.6961 3.6961 6.7836 6.7836 6.9427 6.9427 7.2372 7.2372 k =-0.4228 0.5085 0.1575 ( 6989 PWs) bands (ev): -21.4795 -21.4795 -21.4790 -21.4790 -15.4067 -15.4067 -15.3947 -15.3947 -14.5317 -14.5317 -14.5102 -14.5102 -9.2764 -9.2764 -9.2403 -9.2403 -8.3947 -8.3947 -8.3552 -8.3552 -7.1587 -7.1587 -7.0956 -7.0956 -6.4349 -6.4349 -6.4253 -6.4253 -6.3570 -6.3570 -6.3258 -6.3258 -4.6926 -4.6926 -4.6397 -4.6397 -4.1503 -4.1503 -4.0866 -4.0866 -4.0401 -4.0401 -4.0247 -4.0247 -0.7647 -0.7647 -0.7100 -0.7100 3.6000 3.6000 3.6827 3.6827 6.8145 6.8145 6.9384 6.9384 7.2470 7.2470 k =-0.4228 0.5085 0.1706 ( 6993 PWs) bands (ev): -21.4794 -21.4794 -21.4791 -21.4791 -15.4048 -15.4048 -15.3967 -15.3967 -14.5281 -14.5281 -14.5137 -14.5137 -9.2705 -9.2705 -9.2462 -9.2462 -8.3885 -8.3885 -8.3620 -8.3620 -7.1481 -7.1481 -7.1057 -7.1057 -6.4336 -6.4336 -6.4271 -6.4271 -6.3516 -6.3516 -6.3306 -6.3306 -4.6847 -4.6847 -4.6492 -4.6492 -4.1390 -4.1390 -4.0963 -4.0963 -4.0376 -4.0376 -4.0272 -4.0272 -0.7559 -0.7559 -0.7191 -0.7191 3.6133 3.6133 3.6689 3.6689 6.8444 6.8444 6.9295 6.9295 7.2568 7.2568 k =-0.4228 0.5085 0.1838 ( 6989 PWs) bands (ev): -21.4794 -21.4794 -21.4792 -21.4792 -15.4028 -15.4028 -15.3987 -15.3987 -14.5245 -14.5245 -14.5173 -14.5173 -9.2645 -9.2645 -9.2523 -9.2523 -8.3821 -8.3821 -8.3687 -8.3687 -7.1374 -7.1374 -7.1161 -7.1161 -6.4321 -6.4321 -6.4288 -6.4288 -6.3462 -6.3462 -6.3357 -6.3357 -4.6763 -4.6763 -4.6585 -4.6585 -4.1279 -4.1279 -4.1064 -4.1064 -4.0350 -4.0350 -4.0297 -4.0297 -0.7468 -0.7468 -0.7283 -0.7283 3.6270 3.6270 3.6549 3.6549 6.8720 6.8720 6.9154 6.9154 7.2667 7.2667 k =-0.4228 0.5085 0.1969 ( 6996 PWs) bands (ev): -21.4793 -21.4793 -21.4793 -21.4793 -15.4008 -15.4008 -15.4008 -15.4008 -14.5209 -14.5209 -14.5209 -14.5209 -9.2584 -9.2584 -9.2584 -9.2584 -8.3754 -8.3754 -8.3754 -8.3754 -7.1267 -7.1267 -7.1267 -7.1267 -6.4305 -6.4305 -6.4305 -6.4305 -6.3409 -6.3409 -6.3409 -6.3409 -4.6676 -4.6676 -4.6676 -4.6676 -4.1170 -4.1170 -4.1170 -4.1170 -4.0324 -4.0324 -4.0324 -4.0324 -0.7376 -0.7376 -0.7376 -0.7376 3.6409 3.6409 3.6409 3.6409 6.8960 6.8960 6.8960 6.8960 7.2765 7.2765 k =-0.4228 0.5085 0.1969 ( 6996 PWs) bands (ev): -21.4793 -21.4793 -21.4793 -21.4793 -15.4008 -15.4008 -15.4008 -15.4008 -14.5209 -14.5209 -14.5209 -14.5209 -9.2584 -9.2584 -9.2584 -9.2584 -8.3754 -8.3754 -8.3754 -8.3754 -7.1267 -7.1267 -7.1267 -7.1267 -6.4305 -6.4305 -6.4305 -6.4305 -6.3409 -6.3409 -6.3409 -6.3409 -4.6676 -4.6676 -4.6676 -4.6676 -4.1170 -4.1170 -4.1170 -4.1170 -4.0324 -4.0324 -4.0324 -4.0324 -0.7376 -0.7376 -0.7376 -0.7376 3.6409 3.6409 3.6409 3.6409 6.8960 6.8960 6.8960 6.8960 7.2765 7.2765 k =-0.4314 0.4982 0.1969 ( 6986 PWs) bands (ev): -21.4789 -21.4789 -21.4789 -21.4789 -15.3998 -15.3998 -15.3998 -15.3998 -14.5197 -14.5197 -14.5197 -14.5197 -9.2583 -9.2583 -9.2583 -9.2583 -8.3822 -8.3822 -8.3822 -8.3822 -7.1300 -7.1300 -7.1300 -7.1300 -6.4380 -6.4380 -6.4380 -6.4380 -6.3426 -6.3426 -6.3426 -6.3426 -4.6671 -4.6671 -4.6671 -4.6671 -4.1074 -4.1074 -4.1074 -4.1074 -4.0278 -4.0278 -4.0278 -4.0278 -0.7433 -0.7433 -0.7433 -0.7433 3.6439 3.6439 3.6439 3.6439 6.8995 6.8995 6.8995 6.8995 7.2740 7.2740 k =-0.4400 0.4879 0.1969 ( 6990 PWs) bands (ev): -21.4786 -21.4786 -21.4786 -21.4786 -15.3989 -15.3989 -15.3989 -15.3989 -14.5186 -14.5186 -14.5186 -14.5186 -9.2583 -9.2583 -9.2583 -9.2583 -8.3883 -8.3883 -8.3883 -8.3883 -7.1328 -7.1328 -7.1328 -7.1328 -6.4451 -6.4451 -6.4451 -6.4451 -6.3439 -6.3439 -6.3439 -6.3439 -4.6667 -4.6667 -4.6667 -4.6667 -4.0986 -4.0986 -4.0986 -4.0986 -4.0237 -4.0237 -4.0237 -4.0237 -0.7486 -0.7486 -0.7486 -0.7486 3.6465 3.6465 3.6465 3.6465 6.8998 6.8998 6.8998 6.8998 7.2719 7.2719 k =-0.4485 0.4776 0.1969 ( 6990 PWs) bands (ev): -21.4783 -21.4783 -21.4783 -21.4783 -15.3982 -15.3982 -15.3982 -15.3982 -14.5177 -14.5177 -14.5177 -14.5177 -9.2582 -9.2582 -9.2582 -9.2582 -8.3936 -8.3936 -8.3936 -8.3936 -7.1354 -7.1354 -7.1354 -7.1354 -6.4515 -6.4515 -6.4515 -6.4515 -6.3448 -6.3448 -6.3448 -6.3448 -4.6663 -4.6663 -4.6663 -4.6663 -4.0908 -4.0908 -4.0908 -4.0908 -4.0201 -4.0201 -4.0201 -4.0201 -0.7533 -0.7533 -0.7533 -0.7533 3.6488 3.6488 3.6488 3.6488 6.8985 6.8985 6.8985 6.8985 7.2701 7.2701 k =-0.4571 0.4673 0.1969 ( 7000 PWs) bands (ev): -21.4781 -21.4781 -21.4781 -21.4781 -15.3975 -15.3975 -15.3975 -15.3975 -14.5170 -14.5170 -14.5170 -14.5170 -9.2582 -9.2582 -9.2582 -9.2582 -8.3980 -8.3980 -8.3980 -8.3980 -7.1375 -7.1375 -7.1375 -7.1375 -6.4572 -6.4572 -6.4572 -6.4572 -6.3455 -6.3455 -6.3455 -6.3455 -4.6660 -4.6660 -4.6660 -4.6660 -4.0840 -4.0840 -4.0840 -4.0840 -4.0170 -4.0170 -4.0170 -4.0170 -0.7574 -0.7574 -0.7574 -0.7574 3.6507 3.6507 3.6507 3.6507 6.8963 6.8963 6.8963 6.8963 7.2687 7.2687 k =-0.4657 0.4570 0.1969 ( 6992 PWs) bands (ev): -21.4779 -21.4779 -21.4779 -21.4779 -15.3970 -15.3970 -15.3970 -15.3970 -14.5163 -14.5163 -14.5163 -14.5163 -9.2582 -9.2582 -9.2582 -9.2582 -8.4017 -8.4017 -8.4017 -8.4017 -7.1392 -7.1392 -7.1392 -7.1392 -6.4619 -6.4619 -6.4619 -6.4619 -6.3460 -6.3460 -6.3460 -6.3460 -4.6657 -4.6657 -4.6657 -4.6657 -4.0783 -4.0783 -4.0783 -4.0783 -4.0145 -4.0145 -4.0145 -4.0145 -0.7608 -0.7608 -0.7608 -0.7608 3.6522 3.6522 3.6522 3.6522 6.8939 6.8939 6.8939 6.8939 7.2675 7.2675 k =-0.4743 0.4467 0.1969 ( 6994 PWs) bands (ev): -21.4777 -21.4777 -21.4777 -21.4777 -15.3965 -15.3965 -15.3965 -15.3965 -14.5159 -14.5159 -14.5159 -14.5159 -9.2581 -9.2581 -9.2581 -9.2581 -8.4046 -8.4046 -8.4046 -8.4046 -7.1406 -7.1406 -7.1406 -7.1406 -6.4657 -6.4657 -6.4657 -6.4657 -6.3463 -6.3463 -6.3463 -6.3463 -4.6655 -4.6655 -4.6655 -4.6655 -4.0738 -4.0738 -4.0738 -4.0738 -4.0126 -4.0126 -4.0126 -4.0126 -0.7635 -0.7635 -0.7635 -0.7635 3.6534 3.6534 3.6534 3.6534 6.8917 6.8917 6.8917 6.8917 7.2667 7.2667 k =-0.4828 0.4363 0.1969 ( 6990 PWs) bands (ev): -21.4776 -21.4776 -21.4776 -21.4776 -15.3962 -15.3962 -15.3962 -15.3962 -14.5155 -14.5155 -14.5155 -14.5155 -9.2581 -9.2581 -9.2581 -9.2581 -8.4067 -8.4067 -8.4067 -8.4067 -7.1416 -7.1416 -7.1416 -7.1416 -6.4685 -6.4685 -6.4685 -6.4685 -6.3466 -6.3466 -6.3466 -6.3466 -4.6653 -4.6653 -4.6653 -4.6653 -4.0705 -4.0705 -4.0705 -4.0705 -4.0111 -4.0111 -4.0111 -4.0111 -0.7655 -0.7655 -0.7655 -0.7655 3.6542 3.6542 3.6542 3.6542 6.8899 6.8899 6.8899 6.8899 7.2660 7.2660 k =-0.4914 0.4260 0.1969 ( 6984 PWs) bands (ev): -21.4776 -21.4776 -21.4776 -21.4776 -15.3960 -15.3960 -15.3960 -15.3960 -14.5153 -14.5153 -14.5153 -14.5153 -9.2581 -9.2581 -9.2581 -9.2581 -8.4079 -8.4079 -8.4079 -8.4079 -7.1422 -7.1422 -7.1422 -7.1422 -6.4702 -6.4702 -6.4702 -6.4702 -6.3467 -6.3467 -6.3467 -6.3467 -4.6652 -4.6652 -4.6652 -4.6652 -4.0685 -4.0685 -4.0685 -4.0685 -4.0103 -4.0103 -4.0103 -4.0103 -0.7667 -0.7667 -0.7667 -0.7667 3.6547 3.6547 3.6547 3.6547 6.8887 6.8887 6.8887 6.8887 7.2657 7.2657 k =-0.5000 0.4157 0.1969 ( 6992 PWs) bands (ev): -21.4776 -21.4776 -21.4776 -21.4776 -15.3959 -15.3959 -15.3959 -15.3959 -14.5152 -14.5152 -14.5152 -14.5152 -9.2581 -9.2581 -9.2581 -9.2581 -8.4083 -8.4083 -8.4083 -8.4083 -7.1424 -7.1424 -7.1424 -7.1424 -6.4707 -6.4707 -6.4707 -6.4707 -6.3467 -6.3467 -6.3467 -6.3467 -4.6652 -4.6652 -4.6652 -4.6652 -4.0679 -4.0679 -4.0679 -4.0679 -4.0100 -4.0100 -4.0100 -4.0100 -0.7671 -0.7671 -0.7671 -0.7671 3.6549 3.6549 3.6549 3.6549 6.8883 6.8883 6.8883 6.8883 7.2656 7.2656 k =-0.5000 0.4157 0.1969 ( 6992 PWs) bands (ev): -21.4776 -21.4776 -21.4776 -21.4776 -15.3959 -15.3959 -15.3959 -15.3959 -14.5152 -14.5152 -14.5152 -14.5152 -9.2581 -9.2581 -9.2581 -9.2581 -8.4083 -8.4083 -8.4083 -8.4083 -7.1424 -7.1424 -7.1424 -7.1424 -6.4707 -6.4707 -6.4707 -6.4707 -6.3467 -6.3467 -6.3467 -6.3467 -4.6652 -4.6652 -4.6652 -4.6652 -4.0679 -4.0679 -4.0679 -4.0679 -4.0100 -4.0100 -4.0100 -4.0100 -0.7671 -0.7671 -0.7671 -0.7671 3.6549 3.6549 3.6549 3.6549 6.8883 6.8883 6.8883 6.8883 7.2656 7.2656 k =-0.5000 0.4157 0.1838 ( 6992 PWs) bands (ev): -21.4776 -21.4776 -21.4775 -21.4775 -15.3980 -15.3980 -15.3938 -15.3938 -14.5194 -14.5194 -14.5110 -14.5110 -9.2653 -9.2653 -9.2509 -9.2509 -8.4151 -8.4151 -8.4014 -8.4014 -7.1535 -7.1535 -7.1314 -7.1314 -6.4716 -6.4716 -6.4696 -6.4696 -6.3524 -6.3524 -6.3413 -6.3413 -4.6718 -4.6718 -4.6583 -4.6583 -4.0803 -4.0803 -4.0558 -4.0558 -4.0127 -4.0127 -4.0073 -4.0073 -0.7774 -0.7774 -0.7567 -0.7567 3.6400 3.6400 3.6699 3.6699 6.8505 6.8505 6.9247 6.9247 7.2538 7.2538 k =-0.5000 0.4157 0.1706 ( 6982 PWs) bands (ev): -21.4777 -21.4777 -21.4774 -21.4774 -15.4001 -15.4001 -15.3917 -15.3917 -14.5236 -14.5236 -14.5068 -14.5068 -9.2724 -9.2724 -9.2438 -9.2438 -8.4218 -8.4218 -8.3944 -8.3944 -7.1645 -7.1645 -7.1205 -7.1205 -6.4722 -6.4722 -6.4683 -6.4683 -6.3583 -6.3583 -6.3361 -6.3361 -4.6781 -4.6781 -4.6513 -4.6513 -4.0928 -4.0928 -4.0442 -4.0442 -4.0153 -4.0153 -4.0046 -4.0046 -0.7875 -0.7875 -0.7464 -0.7464 3.6254 3.6254 3.6850 3.6850 6.8121 6.8121 6.9589 6.9589 7.2419 7.2419 k =-0.5000 0.4157 0.1575 ( 6986 PWs) bands (ev): -21.4778 -21.4778 -21.4773 -21.4773 -15.4022 -15.4022 -15.3896 -15.3896 -14.5278 -14.5278 -14.5027 -14.5027 -9.2793 -9.2793 -9.2368 -9.2368 -8.4282 -8.4282 -8.3875 -8.3875 -7.1755 -7.1755 -7.1101 -7.1101 -6.4726 -6.4726 -6.4668 -6.4668 -6.3644 -6.3644 -6.3312 -6.3312 -4.6841 -4.6841 -4.6441 -4.6441 -4.1054 -4.1054 -4.0332 -4.0332 -4.0177 -4.0177 -4.0020 -4.0020 -0.7973 -0.7973 -0.7362 -0.7362 3.6112 3.6112 3.6998 3.6998 6.7738 6.7738 6.9900 6.9900 7.2300 7.2300 k =-0.5000 0.4157 0.1444 ( 6980 PWs) bands (ev): -21.4779 -21.4779 -21.4772 -21.4772 -15.4041 -15.4041 -15.3875 -15.3875 -14.5318 -14.5318 -14.4988 -14.4988 -9.2860 -9.2860 -9.2300 -9.2300 -8.4342 -8.4342 -8.3807 -8.3807 -7.1861 -7.1861 -7.1000 -7.1000 -6.4726 -6.4726 -6.4651 -6.4651 -6.3706 -6.3706 -6.3267 -6.3267 -4.6896 -4.6896 -4.6368 -4.6368 -4.1179 -4.1179 -4.0246 -4.0246 -4.0182 -4.0182 -3.9995 -3.9995 -0.8067 -0.8067 -0.7263 -0.7263 3.5976 3.5976 3.7142 3.7142 6.7364 6.7364 7.0174 7.0174 7.2183 7.2183 k =-0.5000 0.4157 0.1313 ( 6982 PWs) bands (ev): -21.4780 -21.4780 -21.4771 -21.4771 -15.4059 -15.4059 -15.3856 -15.3856 -14.5356 -14.5356 -14.4951 -14.4951 -9.2923 -9.2923 -9.2236 -9.2236 -8.4400 -8.4400 -8.3741 -8.3741 -7.1964 -7.1964 -7.0904 -7.0904 -6.4722 -6.4722 -6.4635 -6.4635 -6.3768 -6.3768 -6.3226 -6.3226 -4.6948 -4.6948 -4.6295 -4.6295 -4.1303 -4.1303 -4.0242 -4.0242 -4.0109 -4.0109 -3.9972 -3.9972 -0.8156 -0.8156 -0.7168 -0.7168 3.5847 3.5847 3.7281 3.7281 6.7003 6.7003 7.0406 7.0406 7.2069 7.2069 k =-0.5000 0.4157 0.1181 ( 6982 PWs) bands (ev): -21.4781 -21.4781 -21.4770 -21.4770 -15.4076 -15.4076 -15.3837 -15.3837 -14.5392 -14.5392 -14.4916 -14.4916 -9.2983 -9.2983 -9.2175 -9.2175 -8.4453 -8.4453 -8.3678 -8.3678 -7.2061 -7.2061 -7.0815 -7.0815 -6.4715 -6.4715 -6.4617 -6.4617 -6.3831 -6.3831 -6.3188 -6.3188 -4.6996 -4.6996 -4.6223 -4.6223 -4.1422 -4.1422 -4.0262 -4.0262 -4.0020 -4.0020 -3.9949 -3.9949 -0.8240 -0.8240 -0.7078 -0.7078 3.5727 3.5727 3.7412 3.7412 6.6663 6.6663 7.0594 7.0594 7.1960 7.1960 k =-0.5000 0.4157 0.1050 ( 6970 PWs) bands (ev): -21.4781 -21.4781 -21.4770 -21.4770 -15.4092 -15.4092 -15.3820 -15.3820 -14.5426 -14.5426 -14.4884 -14.4884 -9.3038 -9.3038 -9.2118 -9.2118 -8.4502 -8.4502 -8.3619 -8.3619 -7.2152 -7.2152 -7.0733 -7.0733 -6.4705 -6.4705 -6.4600 -6.4600 -6.3893 -6.3893 -6.3154 -6.3154 -4.7039 -4.7039 -4.6152 -4.6152 -4.1536 -4.1536 -4.0283 -4.0283 -3.9936 -3.9936 -3.9928 -3.9928 -0.8317 -0.8317 -0.6993 -0.6993 3.5616 3.5616 3.7536 3.7536 6.6347 6.6347 7.0740 7.0740 7.1858 7.1858 k =-0.5000 0.4157 0.0919 ( 6962 PWs) bands (ev): -21.4782 -21.4782 -21.4769 -21.4769 -15.4106 -15.4106 -15.3804 -15.3804 -14.5456 -14.5456 -14.4854 -14.4854 -9.3088 -9.3088 -9.2066 -9.2066 -8.4546 -8.4546 -8.3564 -8.3564 -7.2236 -7.2236 -7.0658 -7.0658 -6.4691 -6.4691 -6.4584 -6.4584 -6.3954 -6.3954 -6.3125 -6.3125 -4.7077 -4.7077 -4.6085 -4.6085 -4.1642 -4.1642 -4.0302 -4.0302 -3.9910 -3.9910 -3.9859 -3.9859 -0.8386 -0.8386 -0.6916 -0.6916 3.5516 3.5516 3.7648 3.7648 6.6059 6.6059 7.0847 7.0847 7.1763 7.1763 k =-0.5000 0.4157 0.0788 ( 6946 PWs) bands (ev): -21.4782 -21.4782 -21.4768 -21.4768 -15.4118 -15.4118 -15.3789 -15.3789 -14.5483 -14.5483 -14.4828 -14.4828 -9.3133 -9.3133 -9.2020 -9.2020 -8.4585 -8.4585 -8.3515 -8.3515 -7.2310 -7.2310 -7.0592 -7.0592 -6.4674 -6.4674 -6.4569 -6.4569 -6.4012 -6.4012 -6.3099 -6.3099 -4.7111 -4.7111 -4.6023 -4.6023 -4.1740 -4.1740 -4.0320 -4.0320 -3.9893 -3.9893 -3.9791 -3.9791 -0.8448 -0.8448 -0.6848 -0.6848 3.5428 3.5428 3.7750 3.7750 6.5803 6.5803 7.0921 7.0921 7.1677 7.1677 k =-0.5000 0.4157 0.0656 ( 6954 PWs) bands (ev): -21.4783 -21.4783 -21.4768 -21.4768 -15.4129 -15.4129 -15.3777 -15.3777 -14.5507 -14.5507 -14.4805 -14.4805 -9.3171 -9.3171 -9.1980 -9.1980 -8.4618 -8.4618 -8.3472 -8.3472 -7.2376 -7.2376 -7.0536 -7.0536 -6.4655 -6.4655 -6.4556 -6.4556 -6.4068 -6.4068 -6.3077 -6.3077 -4.7140 -4.7140 -4.5966 -4.5966 -4.1827 -4.1827 -4.0335 -4.0335 -3.9879 -3.9879 -3.9733 -3.9733 -0.8501 -0.8501 -0.6788 -0.6788 3.5351 3.5351 3.7838 3.7838 6.5582 6.5582 7.0969 7.0969 7.1602 7.1602 k =-0.5000 0.4157 0.0525 ( 6958 PWs) bands (ev): -21.4783 -21.4783 -21.4767 -21.4767 -15.4138 -15.4138 -15.3767 -15.3767 -14.5527 -14.5527 -14.4787 -14.4787 -9.3203 -9.3203 -9.1947 -9.1947 -8.4646 -8.4646 -8.3436 -8.3436 -7.2430 -7.2430 -7.0489 -7.0489 -6.4634 -6.4634 -6.4544 -6.4544 -6.4119 -6.4119 -6.3059 -6.3059 -4.7163 -4.7163 -4.5917 -4.5917 -4.1902 -4.1902 -4.0348 -4.0348 -3.9867 -3.9867 -3.9685 -3.9685 -0.8546 -0.8546 -0.6738 -0.6738 3.5288 3.5288 3.7911 3.7911 6.5398 6.5398 7.0998 7.0998 7.1539 7.1539 k =-0.5000 0.4157 0.0394 ( 6970 PWs) bands (ev): -21.4784 -21.4784 -21.4767 -21.4767 -15.4145 -15.4145 -15.3758 -15.3758 -14.5543 -14.5543 -14.4772 -14.4772 -9.3229 -9.3229 -9.1921 -9.1921 -8.4668 -8.4668 -8.3407 -8.3407 -7.2474 -7.2474 -7.0452 -7.0452 -6.4613 -6.4613 -6.4535 -6.4535 -6.4164 -6.4164 -6.3046 -6.3046 -4.7182 -4.7182 -4.5877 -4.5877 -4.1962 -4.1962 -4.0358 -4.0358 -3.9858 -3.9858 -3.9647 -3.9647 -0.8580 -0.8580 -0.6698 -0.6698 3.5238 3.5238 3.7970 3.7970 6.5252 6.5252 7.1014 7.1014 7.1489 7.1489 k =-0.5000 0.4157 0.0263 ( 6974 PWs) bands (ev): -21.4784 -21.4784 -21.4767 -21.4767 -15.4151 -15.4151 -15.3753 -15.3753 -14.5554 -14.5554 -14.4762 -14.4762 -9.3247 -9.3247 -9.1902 -9.1902 -8.4684 -8.4684 -8.3386 -8.3386 -7.2506 -7.2506 -7.0425 -7.0425 -6.4593 -6.4593 -6.4529 -6.4529 -6.4201 -6.4201 -6.3036 -6.3036 -4.7195 -4.7195 -4.5848 -4.5848 -4.2007 -4.2007 -4.0366 -4.0366 -3.9851 -3.9851 -3.9620 -3.9620 -0.8605 -0.8605 -0.6670 -0.6670 3.5202 3.5202 3.8012 3.8012 6.5148 6.5148 7.1021 7.1021 7.1452 7.1452 k =-0.5000 0.4157 0.0131 ( 6970 PWs) bands (ev): -21.4784 -21.4784 -21.4767 -21.4767 -15.4154 -15.4154 -15.3749 -15.3749 -14.5561 -14.5561 -14.4755 -14.4755 -9.3258 -9.3258 -9.1890 -9.1890 -8.4693 -8.4693 -8.3373 -8.3373 -7.2525 -7.2525 -7.0408 -7.0408 -6.4579 -6.4579 -6.4525 -6.4525 -6.4225 -6.4225 -6.3030 -6.3030 -4.7203 -4.7203 -4.5830 -4.5830 -4.2034 -4.2034 -4.0370 -4.0370 -3.9847 -3.9847 -3.9604 -3.9604 -0.8621 -0.8621 -0.6652 -0.6652 3.5180 3.5180 3.8038 3.8038 6.5084 6.5084 7.1025 7.1025 7.1430 7.1430 k =-0.5000 0.4157 0.0000 ( 6950 PWs) bands (ev): -21.4784 -21.4784 -21.4767 -21.4767 -15.4154 -15.4154 -15.3747 -15.3747 -14.5563 -14.5563 -14.4753 -14.4753 -9.3262 -9.3262 -9.1886 -9.1886 -8.4696 -8.4696 -8.3369 -8.3369 -7.2531 -7.2531 -7.0402 -7.0402 -6.4574 -6.4574 -6.4524 -6.4524 -6.4233 -6.4233 -6.3028 -6.3028 -4.7206 -4.7206 -4.5823 -4.5823 -4.2043 -4.2043 -4.0371 -4.0371 -3.9845 -3.9845 -3.9598 -3.9598 -0.8626 -0.8626 -0.6646 -0.6646 3.5173 3.5173 3.8047 3.8047 6.5063 6.5063 7.1025 7.1025 7.1423 7.1423 k = 0.0000 0.0000 0.1969 ( 6928 PWs) bands (ev): -21.5190 -21.5190 -21.5190 -21.5190 -15.4019 -15.4019 -15.4019 -15.4019 -14.6206 -14.6206 -14.6206 -14.6206 -9.2606 -9.2606 -9.2606 -9.2606 -7.8049 -7.8049 -7.8049 -7.8049 -6.8677 -6.8677 -6.8677 -6.8677 -6.5875 -6.5875 -6.5875 -6.5875 -6.2163 -6.2163 -6.2163 -6.2163 -4.5668 -4.5668 -4.5668 -4.5668 -4.3417 -4.3417 -4.3417 -4.3417 -3.7896 -3.7896 -3.7896 -3.7896 -0.8938 -0.8938 -0.8938 -0.8938 3.1294 3.1294 3.1294 3.1294 4.6029 4.6029 4.6029 4.6029 6.5000 6.5000 k =-0.0102 0.0085 0.1969 ( 6940 PWs) bands (ev): -21.5189 -21.5189 -21.5189 -21.5189 -15.4019 -15.4019 -15.4019 -15.4019 -14.6205 -14.6205 -14.6205 -14.6205 -9.2606 -9.2606 -9.2606 -9.2606 -7.8056 -7.8056 -7.8056 -7.8056 -6.8681 -6.8681 -6.8681 -6.8681 -6.5872 -6.5872 -6.5871 -6.5871 -6.2164 -6.2164 -6.2164 -6.2164 -4.5670 -4.5670 -4.5670 -4.5670 -4.3420 -4.3420 -4.3415 -4.3415 -3.7897 -3.7897 -3.7894 -3.7894 -0.8936 -0.8936 -0.8936 -0.8936 3.1295 3.1295 3.1295 3.1295 4.6050 4.6050 4.6051 4.6051 6.5014 6.5014 k =-0.0204 0.0170 0.1969 ( 6940 PWs) bands (ev): -21.5188 -21.5188 -21.5188 -21.5188 -15.4019 -15.4019 -15.4019 -15.4019 -14.6202 -14.6202 -14.6202 -14.6202 -9.2607 -9.2607 -9.2607 -9.2607 -7.8077 -7.8077 -7.8077 -7.8077 -6.8692 -6.8692 -6.8691 -6.8691 -6.5864 -6.5864 -6.5862 -6.5862 -6.2167 -6.2167 -6.2166 -6.2166 -4.5674 -4.5674 -4.5674 -4.5674 -4.3422 -4.3422 -4.3414 -4.3414 -3.7898 -3.7898 -3.7891 -3.7891 -0.8930 -0.8930 -0.8929 -0.8929 3.1300 3.1300 3.1300 3.1300 4.6116 4.6116 4.6116 4.6116 6.5056 6.5056 k =-0.0306 0.0255 0.1969 ( 6944 PWs) bands (ev): -21.5186 -21.5186 -21.5186 -21.5186 -15.4019 -15.4019 -15.4019 -15.4019 -14.6196 -14.6196 -14.6196 -14.6196 -9.2608 -9.2608 -9.2608 -9.2608 -7.8112 -7.8112 -7.8112 -7.8112 -6.8710 -6.8710 -6.8709 -6.8709 -6.5850 -6.5850 -6.5847 -6.5847 -6.2172 -6.2172 -6.2171 -6.2171 -4.5680 -4.5680 -4.5680 -4.5680 -4.3425 -4.3425 -4.3412 -4.3412 -3.7897 -3.7897 -3.7887 -3.7887 -0.8919 -0.8919 -0.8919 -0.8919 3.1308 3.1308 3.1309 3.1309 4.6224 4.6224 4.6224 4.6224 6.5125 6.5125 k =-0.0408 0.0339 0.1969 ( 6952 PWs) bands (ev): -21.5183 -21.5183 -21.5183 -21.5183 -15.4019 -15.4019 -15.4019 -15.4019 -14.6189 -14.6189 -14.6189 -14.6189 -9.2610 -9.2610 -9.2610 -9.2610 -7.8161 -7.8161 -7.8161 -7.8161 -6.8734 -6.8734 -6.8733 -6.8733 -6.5831 -6.5831 -6.5827 -6.5827 -6.2178 -6.2178 -6.2177 -6.2177 -4.5690 -4.5690 -4.5689 -4.5689 -4.3428 -4.3428 -4.3410 -4.3410 -3.7896 -3.7896 -3.7882 -3.7882 -0.8905 -0.8905 -0.8904 -0.8904 3.1320 3.1320 3.1321 3.1321 4.6375 4.6375 4.6375 4.6375 6.5222 6.5222 k =-0.0510 0.0424 0.1969 ( 6964 PWs) bands (ev): -21.5179 -21.5179 -21.5179 -21.5179 -15.4019 -15.4019 -15.4019 -15.4019 -14.6180 -14.6180 -14.6180 -14.6180 -9.2612 -9.2612 -9.2612 -9.2612 -7.8223 -7.8223 -7.8222 -7.8222 -6.8766 -6.8766 -6.8765 -6.8765 -6.5806 -6.5806 -6.5802 -6.5802 -6.2186 -6.2186 -6.2184 -6.2184 -4.5702 -4.5702 -4.5701 -4.5701 -4.3430 -4.3430 -4.3409 -4.3409 -3.7894 -3.7894 -3.7877 -3.7877 -0.8886 -0.8886 -0.8886 -0.8886 3.1336 3.1336 3.1337 3.1337 4.6567 4.6567 4.6568 4.6568 6.5346 6.5346 k =-0.0612 0.0509 0.1969 ( 6968 PWs) bands (ev): -21.5175 -21.5175 -21.5175 -21.5175 -15.4018 -15.4018 -15.4018 -15.4018 -14.6169 -14.6169 -14.6169 -14.6169 -9.2614 -9.2614 -9.2614 -9.2614 -7.8298 -7.8298 -7.8297 -7.8297 -6.8804 -6.8804 -6.8803 -6.8803 -6.5777 -6.5777 -6.5771 -6.5771 -6.2196 -6.2196 -6.2194 -6.2194 -4.5716 -4.5716 -4.5716 -4.5716 -4.3432 -4.3432 -4.3407 -4.3407 -3.7892 -3.7892 -3.7871 -3.7871 -0.8864 -0.8864 -0.8863 -0.8863 3.1357 3.1357 3.1358 3.1358 4.6800 4.6800 4.6801 4.6801 6.5498 6.5499 k =-0.0714 0.0594 0.1969 ( 6970 PWs) bands (ev): -21.5169 -21.5169 -21.5169 -21.5169 -15.4018 -15.4018 -15.4018 -15.4018 -14.6156 -14.6156 -14.6156 -14.6156 -9.2617 -9.2617 -9.2616 -9.2616 -7.8385 -7.8385 -7.8384 -7.8384 -6.8849 -6.8849 -6.8847 -6.8847 -6.5743 -6.5743 -6.5737 -6.5737 -6.2208 -6.2208 -6.2205 -6.2205 -4.5733 -4.5733 -4.5732 -4.5732 -4.3434 -4.3434 -4.3404 -4.3404 -3.7890 -3.7890 -3.7866 -3.7866 -0.8839 -0.8839 -0.8837 -0.8837 3.1383 3.1383 3.1385 3.1385 4.7072 4.7072 4.7073 4.7073 6.5679 6.5679 k =-0.0816 0.0679 0.1969 ( 6980 PWs) bands (ev): -21.5163 -21.5163 -21.5163 -21.5163 -15.4018 -15.4018 -15.4018 -15.4018 -14.6141 -14.6141 -14.6141 -14.6141 -9.2620 -9.2620 -9.2619 -9.2619 -7.8484 -7.8484 -7.8483 -7.8483 -6.8899 -6.8899 -6.8897 -6.8897 -6.5705 -6.5705 -6.5698 -6.5698 -6.2221 -6.2221 -6.2219 -6.2219 -4.5752 -4.5752 -4.5751 -4.5751 -4.3434 -4.3434 -4.3401 -4.3401 -3.7887 -3.7887 -3.7861 -3.7861 -0.8810 -0.8810 -0.8808 -0.8808 3.1415 3.1415 3.1417 3.1417 4.7382 4.7382 4.7384 4.7384 6.5886 6.5886 k =-0.0918 0.0764 0.1969 ( 6982 PWs) bands (ev): -21.5156 -21.5156 -21.5156 -21.5156 -15.4017 -15.4017 -15.4017 -15.4017 -14.6124 -14.6124 -14.6124 -14.6124 -9.2623 -9.2623 -9.2622 -9.2622 -7.8594 -7.8594 -7.8594 -7.8594 -6.8954 -6.8954 -6.8953 -6.8953 -6.5664 -6.5664 -6.5656 -6.5656 -6.2237 -6.2237 -6.2235 -6.2235 -4.5772 -4.5772 -4.5772 -4.5772 -4.3433 -4.3433 -4.3396 -4.3396 -3.7886 -3.7886 -3.7856 -3.7856 -0.8778 -0.8778 -0.8776 -0.8776 3.1455 3.1455 3.1457 3.1457 4.7729 4.7729 4.7731 4.7731 6.6122 6.6122 k =-0.1020 0.0848 0.1969 ( 6982 PWs) bands (ev): -21.5149 -21.5149 -21.5149 -21.5149 -15.4016 -15.4016 -15.4016 -15.4016 -14.6106 -14.6106 -14.6106 -14.6106 -9.2626 -9.2626 -9.2626 -9.2626 -7.8715 -7.8715 -7.8714 -7.8714 -6.9015 -6.9015 -6.9013 -6.9013 -6.5619 -6.5619 -6.5611 -6.5611 -6.2255 -6.2255 -6.2252 -6.2252 -4.5795 -4.5795 -4.5795 -4.5795 -4.3430 -4.3430 -4.3390 -4.3390 -3.7885 -3.7885 -3.7853 -3.7853 -0.8743 -0.8743 -0.8741 -0.8741 3.1501 3.1501 3.1504 3.1504 4.8111 4.8111 4.8112 4.8112 6.6385 6.6386 k =-0.1122 0.0933 0.1969 ( 6978 PWs) bands (ev): -21.5140 -21.5140 -21.5140 -21.5140 -15.4015 -15.4015 -15.4015 -15.4015 -14.6085 -14.6085 -14.6085 -14.6085 -9.2629 -9.2629 -9.2629 -9.2629 -7.8846 -7.8846 -7.8845 -7.8845 -6.9081 -6.9081 -6.9079 -6.9079 -6.5572 -6.5572 -6.5563 -6.5563 -6.2275 -6.2275 -6.2272 -6.2272 -4.5820 -4.5820 -4.5819 -4.5819 -4.3425 -4.3425 -4.3382 -4.3382 -3.7885 -3.7885 -3.7850 -3.7850 -0.8705 -0.8705 -0.8704 -0.8704 3.1556 3.1556 3.1558 3.1558 4.8526 4.8526 4.8528 4.8528 6.6677 6.6677 k =-0.1224 0.1018 0.1969 ( 6986 PWs) bands (ev): -21.5131 -21.5131 -21.5131 -21.5131 -15.4015 -15.4015 -15.4015 -15.4015 -14.6064 -14.6064 -14.6064 -14.6064 -9.2633 -9.2633 -9.2633 -9.2633 -7.8986 -7.8986 -7.8985 -7.8985 -6.9152 -6.9152 -6.9149 -6.9149 -6.5523 -6.5523 -6.5513 -6.5513 -6.2297 -6.2297 -6.2294 -6.2294 -4.5847 -4.5847 -4.5846 -4.5846 -4.3418 -4.3418 -4.3372 -4.3372 -3.7886 -3.7886 -3.7850 -3.7850 -0.8666 -0.8666 -0.8664 -0.8664 3.1619 3.1619 3.1622 3.1622 4.8972 4.8972 4.8974 4.8974 6.6996 6.6996 k =-0.1327 0.1103 0.1969 ( 6984 PWs) bands (ev): -21.5122 -21.5122 -21.5122 -21.5122 -15.4014 -15.4014 -15.4014 -15.4014 -14.6040 -14.6040 -14.6040 -14.6040 -9.2637 -9.2637 -9.2636 -9.2636 -7.9134 -7.9134 -7.9133 -7.9133 -6.9225 -6.9225 -6.9223 -6.9223 -6.5472 -6.5472 -6.5462 -6.5462 -6.2322 -6.2322 -6.2318 -6.2318 -4.5875 -4.5875 -4.5874 -4.5874 -4.3408 -4.3408 -4.3359 -4.3359 -3.7890 -3.7890 -3.7851 -3.7851 -0.8624 -0.8624 -0.8622 -0.8622 3.1690 3.1690 3.1694 3.1694 4.9448 4.9448 4.9451 4.9451 6.7342 6.7342 k =-0.1429 0.1188 0.1969 ( 6972 PWs) bands (ev): -21.5111 -21.5111 -21.5111 -21.5111 -15.4013 -15.4013 -15.4013 -15.4013 -14.6015 -14.6015 -14.6015 -14.6015 -9.2640 -9.2640 -9.2640 -9.2640 -7.9289 -7.9289 -7.9289 -7.9289 -6.9303 -6.9303 -6.9300 -6.9300 -6.5420 -6.5420 -6.5410 -6.5410 -6.2348 -6.2348 -6.2344 -6.2344 -4.5904 -4.5904 -4.5903 -4.5903 -4.3395 -4.3395 -4.3344 -4.3344 -3.7895 -3.7895 -3.7854 -3.7854 -0.8581 -0.8581 -0.8579 -0.8579 3.1771 3.1771 3.1775 3.1775 4.9953 4.9953 4.9955 4.9955 6.7716 6.7717 k =-0.1531 0.1273 0.1969 ( 6968 PWs) bands (ev): -21.5101 -21.5101 -21.5101 -21.5101 -15.4012 -15.4012 -15.4012 -15.4012 -14.5989 -14.5989 -14.5988 -14.5988 -9.2644 -9.2644 -9.2643 -9.2643 -7.9452 -7.9452 -7.9451 -7.9451 -6.9383 -6.9383 -6.9381 -6.9381 -6.5367 -6.5367 -6.5357 -6.5357 -6.2377 -6.2377 -6.2373 -6.2373 -4.5934 -4.5934 -4.5933 -4.5933 -4.3379 -4.3379 -4.3325 -4.3325 -3.7903 -3.7903 -3.7860 -3.7860 -0.8537 -0.8537 -0.8535 -0.8535 3.1862 3.1862 3.1866 3.1866 5.0483 5.0483 5.0486 5.0486 6.8118 6.8118 k =-0.1633 0.1357 0.1969 ( 6960 PWs) bands (ev): -21.5090 -21.5090 -21.5090 -21.5090 -15.4010 -15.4010 -15.4010 -15.4010 -14.5961 -14.5961 -14.5961 -14.5961 -9.2647 -9.2647 -9.2646 -9.2646 -7.9621 -7.9621 -7.9620 -7.9620 -6.9466 -6.9466 -6.9464 -6.9464 -6.5315 -6.5315 -6.5304 -6.5304 -6.2407 -6.2407 -6.2403 -6.2403 -4.5966 -4.5966 -4.5964 -4.5964 -4.3359 -4.3359 -4.3303 -4.3303 -3.7914 -3.7914 -3.7869 -3.7869 -0.8492 -0.8492 -0.8489 -0.8489 3.1962 3.1962 3.1966 3.1966 5.1038 5.1038 5.1041 5.1041 6.8546 6.8546 k =-0.1735 0.1442 0.1969 ( 6956 PWs) bands (ev): -21.5078 -21.5078 -21.5078 -21.5078 -15.4009 -15.4009 -15.4009 -15.4009 -14.5932 -14.5932 -14.5932 -14.5932 -9.2650 -9.2650 -9.2650 -9.2650 -7.9795 -7.9795 -7.9794 -7.9794 -6.9552 -6.9552 -6.9549 -6.9549 -6.5263 -6.5263 -6.5252 -6.5252 -6.2440 -6.2440 -6.2436 -6.2436 -4.5997 -4.5997 -4.5996 -4.5996 -4.3335 -4.3335 -4.3277 -4.3277 -3.7928 -3.7928 -3.7881 -3.7881 -0.8446 -0.8446 -0.8443 -0.8443 3.2071 3.2071 3.2076 3.2076 5.1616 5.1616 5.1619 5.1619 6.9001 6.9001 k =-0.1837 0.1527 0.1969 ( 6956 PWs) bands (ev): -21.5066 -21.5066 -21.5066 -21.5066 -15.4008 -15.4008 -15.4008 -15.4008 -14.5902 -14.5902 -14.5902 -14.5902 -9.2653 -9.2653 -9.2653 -9.2653 -7.9973 -7.9973 -7.9973 -7.9973 -6.9639 -6.9639 -6.9636 -6.9636 -6.5211 -6.5211 -6.5200 -6.5200 -6.2475 -6.2475 -6.2471 -6.2471 -4.6030 -4.6030 -4.6028 -4.6028 -4.3306 -4.3306 -4.3247 -4.3247 -3.7945 -3.7945 -3.7897 -3.7897 -0.8400 -0.8400 -0.8397 -0.8397 3.2190 3.2190 3.2195 3.2195 5.2215 5.2215 5.2217 5.2217 6.9482 6.9482 k =-0.1939 0.1612 0.1969 ( 6956 PWs) bands (ev): -21.5054 -21.5054 -21.5054 -21.5054 -15.4006 -15.4006 -15.4006 -15.4006 -14.5871 -14.5871 -14.5871 -14.5871 -9.2656 -9.2656 -9.2655 -9.2655 -8.0155 -8.0155 -8.0155 -8.0155 -6.9727 -6.9727 -6.9724 -6.9724 -6.5161 -6.5161 -6.5150 -6.5150 -6.2512 -6.2512 -6.2508 -6.2508 -4.6063 -4.6063 -4.6062 -4.6062 -4.3274 -4.3274 -4.3213 -4.3213 -3.7965 -3.7965 -3.7916 -3.7916 -0.8354 -0.8354 -0.8351 -0.8351 3.2318 3.2318 3.2324 3.2324 5.2832 5.2832 5.2835 5.2835 6.9988 6.9988 k =-0.2041 0.1697 0.1969 ( 6954 PWs) bands (ev): -21.5041 -21.5041 -21.5041 -21.5041 -15.4005 -15.4005 -15.4005 -15.4005 -14.5839 -14.5839 -14.5839 -14.5839 -9.2658 -9.2658 -9.2658 -9.2658 -8.0341 -8.0341 -8.0340 -8.0340 -6.9816 -6.9816 -6.9813 -6.9813 -6.5112 -6.5112 -6.5101 -6.5101 -6.2551 -6.2551 -6.2546 -6.2546 -4.6097 -4.6097 -4.6095 -4.6095 -4.3237 -4.3237 -4.3175 -4.3175 -3.7989 -3.7989 -3.7939 -3.7939 -0.8308 -0.8308 -0.8306 -0.8306 3.2455 3.2455 3.2461 3.2461 5.3467 5.3467 5.3470 5.3470 7.0518 7.0519 k =-0.2143 0.1782 0.1969 ( 6950 PWs) bands (ev): -21.5028 -21.5028 -21.5028 -21.5028 -15.4003 -15.4003 -15.4003 -15.4003 -14.5807 -14.5807 -14.5807 -14.5807 -9.2661 -9.2661 -9.2660 -9.2660 -8.0528 -8.0528 -8.0528 -8.0528 -6.9906 -6.9906 -6.9903 -6.9903 -6.5065 -6.5065 -6.5054 -6.5054 -6.2591 -6.2591 -6.2587 -6.2587 -4.6130 -4.6130 -4.6128 -4.6128 -4.3195 -4.3195 -4.3132 -4.3132 -3.8017 -3.8017 -3.7966 -3.7966 -0.8263 -0.8263 -0.8261 -0.8261 3.2601 3.2601 3.2607 3.2607 5.4117 5.4117 5.4120 5.4120 7.1072 7.1074 k =-0.2245 0.1866 0.1969 ( 6946 PWs) bands (ev): -21.5015 -21.5015 -21.5015 -21.5015 -15.4001 -15.4001 -15.4001 -15.4001 -14.5774 -14.5774 -14.5774 -14.5774 -9.2662 -9.2662 -9.2661 -9.2661 -8.0717 -8.0717 -8.0717 -8.0717 -6.9996 -6.9996 -6.9992 -6.9992 -6.5021 -6.5021 -6.5010 -6.5010 -6.2633 -6.2633 -6.2629 -6.2629 -4.6163 -4.6163 -4.6161 -4.6161 -4.3149 -4.3149 -4.3085 -4.3085 -3.8049 -3.8049 -3.7997 -3.7997 -0.8219 -0.8219 -0.8217 -0.8217 3.2755 3.2755 3.2761 3.2761 5.4780 5.4780 5.4784 5.4784 7.1646 7.1647 k =-0.2347 0.1951 0.1969 ( 6954 PWs) bands (ev): -21.5002 -21.5002 -21.5002 -21.5002 -15.4000 -15.4000 -15.4000 -15.4000 -14.5741 -14.5741 -14.5741 -14.5741 -9.2663 -9.2663 -9.2662 -9.2662 -8.0907 -8.0907 -8.0907 -8.0907 -7.0085 -7.0085 -7.0082 -7.0082 -6.4978 -6.4978 -6.4967 -6.4967 -6.2676 -6.2676 -6.2672 -6.2672 -4.6196 -4.6196 -4.6193 -4.6193 -4.3097 -4.3097 -4.3032 -4.3032 -3.8086 -3.8086 -3.8032 -3.8032 -0.8176 -0.8176 -0.8174 -0.8174 3.2916 3.2916 3.2922 3.2922 5.5455 5.5455 5.5458 5.5458 7.2239 7.2239 k =-0.2449 0.2036 0.1969 ( 6954 PWs) bands (ev): -21.4989 -21.4989 -21.4989 -21.4989 -15.3998 -15.3998 -15.3998 -15.3998 -14.5707 -14.5707 -14.5707 -14.5707 -9.2664 -9.2664 -9.2663 -9.2663 -8.1098 -8.1098 -8.1097 -8.1097 -7.0173 -7.0173 -7.0170 -7.0170 -6.4938 -6.4938 -6.4928 -6.4928 -6.2721 -6.2721 -6.2716 -6.2716 -4.6228 -4.6228 -4.6226 -4.6226 -4.3041 -4.3041 -4.2975 -4.2975 -3.8126 -3.8126 -3.8071 -3.8071 -0.8135 -0.8135 -0.8132 -0.8132 3.3084 3.3084 3.3091 3.3091 5.6139 5.6139 5.6143 5.6143 7.2847 7.2852 k =-0.2551 0.2121 0.1969 ( 6946 PWs) bands (ev): -21.4975 -21.4975 -21.4975 -21.4975 -15.3996 -15.3996 -15.3996 -15.3996 -14.5673 -14.5673 -14.5673 -14.5673 -9.2664 -9.2664 -9.2663 -9.2663 -8.1287 -8.1287 -8.1287 -8.1287 -7.0261 -7.0261 -7.0258 -7.0258 -6.4901 -6.4901 -6.4891 -6.4891 -6.2766 -6.2766 -6.2761 -6.2761 -4.6259 -4.6259 -4.6257 -4.6257 -4.2980 -4.2980 -4.2914 -4.2914 -3.8171 -3.8171 -3.8115 -3.8115 -0.8094 -0.8094 -0.8092 -0.8092 3.3258 3.3258 3.3265 3.3265 5.6831 5.6831 5.6834 5.6834 7.3467 7.3467 k =-0.2653 0.2206 0.1969 ( 6944 PWs) bands (ev): -21.4962 -21.4962 -21.4962 -21.4962 -15.3994 -15.3994 -15.3994 -15.3994 -14.5639 -14.5639 -14.5639 -14.5639 -9.2664 -9.2664 -9.2663 -9.2663 -8.1475 -8.1475 -8.1475 -8.1475 -7.0346 -7.0346 -7.0343 -7.0343 -6.4867 -6.4867 -6.4857 -6.4857 -6.2811 -6.2811 -6.2807 -6.2807 -4.6290 -4.6290 -4.6288 -4.6288 -4.2914 -4.2914 -4.2847 -4.2847 -3.8220 -3.8220 -3.8164 -3.8164 -0.8056 -0.8056 -0.8053 -0.8053 3.3437 3.3437 3.3444 3.3444 5.7528 5.7528 5.7532 5.7532 7.4089 7.4090 k =-0.2755 0.2291 0.1969 ( 6940 PWs) bands (ev): -21.4949 -21.4949 -21.4949 -21.4949 -15.3992 -15.3992 -15.3992 -15.3992 -14.5605 -14.5605 -14.5605 -14.5605 -9.2663 -9.2663 -9.2662 -9.2662 -8.1661 -8.1661 -8.1661 -8.1661 -7.0430 -7.0430 -7.0427 -7.0427 -6.4836 -6.4836 -6.4826 -6.4826 -6.2857 -6.2857 -6.2853 -6.2853 -4.6320 -4.6320 -4.6318 -4.6318 -4.2843 -4.2843 -4.2776 -4.2776 -3.8274 -3.8274 -3.8217 -3.8217 -0.8019 -0.8019 -0.8016 -0.8016 3.3621 3.3621 3.3628 3.3628 5.8228 5.8228 5.8232 5.8232 7.4705 7.4706 k =-0.2857 0.2375 0.1969 ( 6948 PWs) bands (ev): -21.4936 -21.4936 -21.4936 -21.4936 -15.3990 -15.3990 -15.3990 -15.3990 -14.5572 -14.5572 -14.5572 -14.5572 -9.2661 -9.2661 -9.2660 -9.2660 -8.1845 -8.1845 -8.1845 -8.1845 -7.0512 -7.0512 -7.0509 -7.0509 -6.4808 -6.4808 -6.4798 -6.4798 -6.2903 -6.2903 -6.2899 -6.2899 -4.6349 -4.6349 -4.6347 -4.6347 -4.2768 -4.2768 -4.2700 -4.2700 -3.8332 -3.8332 -3.8274 -3.8274 -0.7984 -0.7984 -0.7981 -0.7981 3.3808 3.3808 3.3815 3.3815 5.8929 5.8929 5.8934 5.8934 7.5296 7.5302 k =-0.2959 0.2460 0.1969 ( 6946 PWs) bands (ev): -21.4923 -21.4923 -21.4923 -21.4923 -15.3988 -15.3988 -15.3988 -15.3988 -14.5539 -14.5539 -14.5539 -14.5539 -9.2659 -9.2659 -9.2658 -9.2658 -8.2025 -8.2025 -8.2025 -8.2025 -7.0592 -7.0592 -7.0589 -7.0589 -6.4783 -6.4783 -6.4774 -6.4774 -6.2949 -6.2949 -6.2945 -6.2945 -4.6376 -4.6376 -4.6374 -4.6374 -4.2688 -4.2688 -4.2620 -4.2620 -3.8394 -3.8394 -3.8336 -3.8336 -0.7951 -0.7951 -0.7948 -0.7948 3.3997 3.3997 3.4004 3.4004 5.9630 5.9630 5.9635 5.9635 7.5836 7.5839 k =-0.3061 0.2545 0.1969 ( 6954 PWs) bands (ev): -21.4910 -21.4910 -21.4910 -21.4910 -15.3986 -15.3986 -15.3986 -15.3986 -14.5507 -14.5507 -14.5506 -14.5506 -9.2656 -9.2656 -9.2655 -9.2655 -8.2201 -8.2201 -8.2201 -8.2201 -7.0669 -7.0669 -7.0666 -7.0666 -6.4761 -6.4761 -6.4752 -6.4752 -6.2994 -6.2994 -6.2990 -6.2990 -4.6403 -4.6403 -4.6401 -4.6401 -4.2604 -4.2604 -4.2536 -4.2536 -3.8460 -3.8460 -3.8402 -3.8402 -0.7920 -0.7920 -0.7917 -0.7917 3.4187 3.4187 3.4195 3.4195 6.0327 6.0327 6.0332 6.0332 7.6257 7.6270 k =-0.3163 0.2630 0.1969 ( 6950 PWs) bands (ev): -21.4898 -21.4898 -21.4898 -21.4898 -15.3984 -15.3984 -15.3984 -15.3984 -14.5475 -14.5475 -14.5475 -14.5475 -9.2653 -9.2653 -9.2652 -9.2652 -8.2373 -8.2373 -8.2373 -8.2373 -7.0742 -7.0742 -7.0740 -7.0740 -6.4742 -6.4742 -6.4734 -6.4734 -6.3039 -6.3039 -6.3035 -6.3035 -4.6429 -4.6429 -4.6427 -4.6427 -4.2515 -4.2515 -4.2447 -4.2447 -3.8531 -3.8531 -3.8472 -3.8472 -0.7891 -0.7891 -0.7889 -0.7889 3.4378 3.4378 3.4385 3.4385 6.1019 6.1019 6.1024 6.1024 7.6484 7.6487 k =-0.3265 0.2715 0.1969 ( 6948 PWs) bands (ev): -21.4886 -21.4886 -21.4886 -21.4886 -15.3981 -15.3981 -15.3981 -15.3981 -14.5443 -14.5443 -14.5443 -14.5443 -9.2649 -9.2649 -9.2648 -9.2648 -8.2539 -8.2539 -8.2539 -8.2539 -7.0813 -7.0813 -7.0811 -7.0811 -6.4726 -6.4726 -6.4718 -6.4718 -6.3082 -6.3082 -6.3078 -6.3078 -4.6453 -4.6453 -4.6451 -4.6451 -4.2423 -4.2423 -4.2354 -4.2354 -3.8606 -3.8606 -3.8546 -3.8546 -0.7864 -0.7864 -0.7862 -0.7862 3.4568 3.4568 3.4575 3.4575 6.1703 6.1703 6.1708 6.1708 7.6454 7.6465 k =-0.3367 0.2800 0.1969 ( 6952 PWs) bands (ev): -21.4875 -21.4875 -21.4875 -21.4875 -15.3979 -15.3979 -15.3979 -15.3979 -14.5413 -14.5413 -14.5413 -14.5413 -9.2645 -9.2645 -9.2644 -9.2644 -8.2700 -8.2700 -8.2700 -8.2700 -7.0881 -7.0881 -7.0878 -7.0878 -6.4713 -6.4713 -6.4705 -6.4705 -6.3124 -6.3124 -6.3120 -6.3120 -4.6476 -4.6476 -4.6474 -4.6474 -4.2326 -4.2326 -4.2258 -4.2258 -3.8685 -3.8685 -3.8625 -3.8625 -0.7839 -0.7839 -0.7837 -0.7837 3.4755 3.4755 3.4763 3.4763 6.2375 6.2375 6.2381 6.2381 7.6220 7.6227 k =-0.3469 0.2885 0.1969 ( 6968 PWs) bands (ev): -21.4864 -21.4864 -21.4864 -21.4864 -15.3977 -15.3977 -15.3977 -15.3977 -14.5385 -14.5385 -14.5385 -14.5385 -9.2641 -9.2641 -9.2640 -9.2640 -8.2855 -8.2855 -8.2855 -8.2855 -7.0945 -7.0945 -7.0943 -7.0943 -6.4703 -6.4703 -6.4696 -6.4696 -6.3164 -6.3164 -6.3160 -6.3160 -4.6498 -4.6498 -4.6496 -4.6496 -4.2226 -4.2226 -4.2158 -4.2158 -3.8768 -3.8768 -3.8707 -3.8707 -0.7817 -0.7817 -0.7814 -0.7814 3.4940 3.4940 3.4947 3.4947 6.3035 6.3035 6.3041 6.3041 7.5879 7.5879 k =-0.3571 0.2969 0.1969 ( 6970 PWs) bands (ev): -21.4853 -21.4853 -21.4853 -21.4853 -15.3975 -15.3975 -15.3975 -15.3975 -14.5357 -14.5357 -14.5357 -14.5357 -9.2636 -9.2636 -9.2635 -9.2635 -8.3002 -8.3002 -8.3002 -8.3002 -7.1005 -7.1005 -7.1003 -7.1003 -6.4695 -6.4695 -6.4688 -6.4688 -6.3202 -6.3202 -6.3199 -6.3199 -4.6518 -4.6518 -4.6517 -4.6517 -4.2123 -4.2123 -4.2055 -4.2055 -3.8854 -3.8854 -3.8794 -3.8794 -0.7796 -0.7796 -0.7794 -0.7794 3.5119 3.5119 3.5126 3.5126 6.3678 6.3678 6.3685 6.3685 7.5509 7.5517 k =-0.3673 0.3054 0.1969 ( 6978 PWs) bands (ev): -21.4843 -21.4843 -21.4843 -21.4843 -15.3974 -15.3974 -15.3974 -15.3974 -14.5331 -14.5331 -14.5331 -14.5331 -9.2631 -9.2631 -9.2630 -9.2630 -8.3142 -8.3142 -8.3142 -8.3142 -7.1062 -7.1062 -7.1060 -7.1060 -6.4690 -6.4690 -6.4683 -6.4683 -6.3238 -6.3238 -6.3235 -6.3235 -4.6537 -4.6537 -4.6535 -4.6535 -4.2017 -4.2017 -4.1949 -4.1949 -3.8944 -3.8944 -3.8883 -3.8883 -0.7777 -0.7777 -0.7775 -0.7775 3.5293 3.5293 3.5300 3.5300 6.4302 6.4302 6.4309 6.4309 7.5123 7.5134 k =-0.3776 0.3139 0.1969 ( 6984 PWs) bands (ev): -21.4833 -21.4833 -21.4833 -21.4833 -15.3972 -15.3972 -15.3972 -15.3972 -14.5306 -14.5306 -14.5306 -14.5306 -9.2625 -9.2625 -9.2624 -9.2624 -8.3274 -8.3274 -8.3274 -8.3274 -7.1115 -7.1115 -7.1113 -7.1113 -6.4686 -6.4686 -6.4681 -6.4681 -6.3272 -6.3272 -6.3269 -6.3269 -4.6554 -4.6554 -4.6553 -4.6553 -4.1908 -4.1908 -4.1840 -4.1840 -3.9038 -3.9038 -3.8976 -3.8976 -0.7760 -0.7760 -0.7758 -0.7758 3.5461 3.5461 3.5467 3.5467 6.4904 6.4904 6.4911 6.4911 7.4747 7.4752 k =-0.3878 0.3224 0.1969 ( 6984 PWs) bands (ev): -21.4825 -21.4825 -21.4825 -21.4825 -15.3970 -15.3970 -15.3970 -15.3970 -14.5282 -14.5282 -14.5282 -14.5282 -9.2620 -9.2620 -9.2619 -9.2619 -8.3398 -8.3398 -8.3398 -8.3398 -7.1164 -7.1164 -7.1162 -7.1162 -6.4685 -6.4685 -6.4680 -6.4680 -6.3303 -6.3303 -6.3300 -6.3300 -4.6570 -4.6570 -4.6569 -4.6569 -4.1797 -4.1797 -4.1729 -4.1729 -3.9134 -3.9134 -3.9073 -3.9073 -0.7744 -0.7744 -0.7743 -0.7743 3.5620 3.5620 3.5626 3.5626 6.5479 6.5479 6.5486 6.5486 7.4395 7.4406 k =-0.3980 0.3309 0.1969 ( 6984 PWs) bands (ev): -21.4816 -21.4816 -21.4816 -21.4816 -15.3968 -15.3968 -15.3968 -15.3968 -14.5260 -14.5260 -14.5260 -14.5260 -9.2614 -9.2614 -9.2614 -9.2614 -8.3513 -8.3513 -8.3513 -8.3513 -7.1208 -7.1208 -7.1207 -7.1207 -6.4685 -6.4685 -6.4680 -6.4680 -6.3332 -6.3332 -6.3329 -6.3329 -4.6584 -4.6584 -4.6583 -4.6583 -4.1683 -4.1683 -4.1616 -4.1616 -3.9233 -3.9233 -3.9171 -3.9171 -0.7731 -0.7731 -0.7729 -0.7729 3.5769 3.5769 3.5775 3.5775 6.6024 6.6024 6.6031 6.6031 7.4069 7.4074 k =-0.4082 0.3394 0.1969 ( 6980 PWs) bands (ev): -21.4809 -21.4809 -21.4809 -21.4809 -15.3967 -15.3967 -15.3967 -15.3967 -14.5241 -14.5241 -14.5240 -14.5240 -9.2609 -9.2609 -9.2608 -9.2608 -8.3618 -8.3618 -8.3618 -8.3618 -7.1249 -7.1249 -7.1247 -7.1247 -6.4687 -6.4687 -6.4682 -6.4682 -6.3358 -6.3358 -6.3355 -6.3355 -4.6597 -4.6597 -4.6596 -4.6596 -4.1568 -4.1568 -4.1502 -4.1502 -3.9334 -3.9334 -3.9273 -3.9273 -0.7719 -0.7719 -0.7717 -0.7717 3.5909 3.5909 3.5914 3.5914 6.6534 6.6534 6.6542 6.6542 7.3774 7.3778 k =-0.4184 0.3478 0.1969 ( 6972 PWs) bands (ev): -21.4802 -21.4802 -21.4802 -21.4802 -15.3965 -15.3965 -15.3965 -15.3965 -14.5222 -14.5222 -14.5222 -14.5222 -9.2604 -9.2604 -9.2603 -9.2603 -8.3713 -8.3713 -8.3713 -8.3713 -7.1286 -7.1286 -7.1284 -7.1284 -6.4689 -6.4689 -6.4685 -6.4685 -6.3381 -6.3381 -6.3379 -6.3379 -4.6609 -4.6609 -4.6608 -4.6608 -4.1452 -4.1452 -4.1387 -4.1387 -3.9438 -3.9438 -3.9376 -3.9376 -0.7708 -0.7708 -0.7707 -0.7707 3.6037 3.6037 3.6042 3.6042 6.7005 6.7005 6.7013 6.7013 7.3516 7.3518 k =-0.4286 0.3563 0.1969 ( 6980 PWs) bands (ev): -21.4796 -21.4796 -21.4796 -21.4796 -15.3964 -15.3964 -15.3964 -15.3964 -14.5206 -14.5206 -14.5206 -14.5206 -9.2599 -9.2599 -9.2598 -9.2598 -8.3798 -8.3798 -8.3798 -8.3798 -7.1318 -7.1318 -7.1317 -7.1317 -6.4692 -6.4692 -6.4688 -6.4688 -6.3401 -6.3401 -6.3400 -6.3400 -4.6619 -4.6619 -4.6618 -4.6618 -4.1336 -4.1336 -4.1271 -4.1271 -3.9542 -3.9542 -3.9482 -3.9482 -0.7699 -0.7699 -0.7698 -0.7698 3.6153 3.6153 3.6157 3.6157 6.7433 6.7433 6.7440 6.7440 7.3287 7.3290 k =-0.4388 0.3648 0.1969 ( 6998 PWs) bands (ev): -21.4791 -21.4791 -21.4791 -21.4791 -15.3963 -15.3963 -15.3963 -15.3963 -14.5192 -14.5192 -14.5192 -14.5192 -9.2595 -9.2595 -9.2594 -9.2594 -8.3873 -8.3873 -8.3873 -8.3873 -7.1346 -7.1346 -7.1345 -7.1345 -6.4695 -6.4695 -6.4692 -6.4692 -6.3419 -6.3419 -6.3418 -6.3418 -4.6628 -4.6628 -4.6628 -4.6628 -4.1220 -4.1220 -4.1157 -4.1157 -3.9648 -3.9648 -3.9588 -3.9588 -0.7692 -0.7692 -0.7690 -0.7690 3.6255 3.6255 3.6258 3.6258 6.7811 6.7811 6.7818 6.7818 7.3100 7.3101 k =-0.4490 0.3733 0.1969 ( 7002 PWs) bands (ev): -21.4786 -21.4786 -21.4786 -21.4786 -15.3962 -15.3962 -15.3962 -15.3962 -14.5180 -14.5180 -14.5180 -14.5180 -9.2591 -9.2591 -9.2590 -9.2590 -8.3937 -8.3937 -8.3937 -8.3937 -7.1370 -7.1370 -7.1369 -7.1369 -6.4698 -6.4698 -6.4696 -6.4696 -6.3434 -6.3434 -6.3433 -6.3433 -4.6636 -4.6636 -4.6635 -4.6635 -4.1106 -4.1106 -4.1044 -4.1044 -3.9753 -3.9753 -3.9694 -3.9694 -0.7685 -0.7685 -0.7684 -0.7684 3.6343 3.6343 3.6346 3.6346 6.8136 6.8136 6.8143 6.8143 7.2948 7.2950 k =-0.4592 0.3818 0.1969 ( 7000 PWs) bands (ev): -21.4782 -21.4782 -21.4782 -21.4782 -15.3961 -15.3961 -15.3961 -15.3961 -14.5170 -14.5170 -14.5170 -14.5170 -9.2587 -9.2587 -9.2587 -9.2587 -8.3989 -8.3989 -8.3989 -8.3989 -7.1389 -7.1389 -7.1389 -7.1389 -6.4701 -6.4701 -6.4700 -6.4700 -6.3446 -6.3446 -6.3445 -6.3445 -4.6642 -4.6642 -4.6641 -4.6641 -4.0994 -4.0994 -4.0935 -4.0935 -3.9855 -3.9855 -3.9799 -3.9799 -0.7680 -0.7680 -0.7679 -0.7679 3.6416 3.6416 3.6418 3.6418 6.8405 6.8405 6.8411 6.8411 7.2831 7.2839 k =-0.4694 0.3903 0.1969 ( 6992 PWs) bands (ev): -21.4779 -21.4779 -21.4779 -21.4779 -15.3960 -15.3960 -15.3960 -15.3960 -14.5162 -14.5162 -14.5162 -14.5162 -9.2585 -9.2585 -9.2584 -9.2584 -8.4030 -8.4030 -8.4030 -8.4030 -7.1404 -7.1404 -7.1404 -7.1404 -6.4704 -6.4704 -6.4703 -6.4703 -6.3455 -6.3455 -6.3455 -6.3455 -4.6646 -4.6646 -4.6646 -4.6646 -4.0888 -4.0888 -4.0834 -4.0834 -3.9951 -3.9951 -3.9899 -3.9899 -0.7676 -0.7676 -0.7675 -0.7675 3.6474 3.6474 3.6476 3.6476 6.8614 6.8614 6.8619 6.8619 7.2747 7.2748 k =-0.4796 0.3987 0.1969 ( 6992 PWs) bands (ev): -21.4777 -21.4777 -21.4777 -21.4777 -15.3960 -15.3960 -15.3960 -15.3960 -14.5157 -14.5157 -14.5157 -14.5157 -9.2583 -9.2583 -9.2583 -9.2583 -8.4060 -8.4060 -8.4060 -8.4060 -7.1415 -7.1415 -7.1415 -7.1415 -6.4706 -6.4706 -6.4705 -6.4705 -6.3462 -6.3462 -6.3461 -6.3461 -4.6650 -4.6650 -4.6649 -4.6649 -4.0792 -4.0792 -4.0749 -4.0749 -4.0033 -4.0033 -3.9990 -3.9990 -0.7673 -0.7673 -0.7673 -0.7673 3.6515 3.6515 3.6516 3.6516 6.8764 6.8764 6.8767 6.8767 7.2695 7.2698 k =-0.4898 0.4072 0.1969 ( 6986 PWs) bands (ev): -21.4776 -21.4776 -21.4776 -21.4776 -15.3959 -15.3959 -15.3959 -15.3959 -14.5153 -14.5153 -14.5153 -14.5153 -9.2581 -9.2581 -9.2581 -9.2581 -8.4077 -8.4077 -8.4077 -8.4077 -7.1422 -7.1422 -7.1422 -7.1422 -6.4707 -6.4707 -6.4707 -6.4707 -6.3466 -6.3466 -6.3466 -6.3466 -4.6651 -4.6651 -4.6651 -4.6651 -4.0717 -4.0717 -4.0691 -4.0691 -4.0089 -4.0089 -4.0063 -4.0063 -0.7671 -0.7671 -0.7671 -0.7671 3.6540 3.6540 3.6541 3.6541 6.8853 6.8853 6.8855 6.8855 7.2664 7.2666 k =-0.5000 0.4157 0.1969 ( 6992 PWs) bands (ev): -21.4776 -21.4776 -21.4776 -21.4776 -15.3959 -15.3959 -15.3959 -15.3959 -14.5152 -14.5152 -14.5152 -14.5152 -9.2581 -9.2581 -9.2581 -9.2581 -8.4083 -8.4083 -8.4083 -8.4083 -7.1424 -7.1424 -7.1424 -7.1424 -6.4707 -6.4707 -6.4707 -6.4707 -6.3467 -6.3467 -6.3467 -6.3467 -4.6652 -4.6652 -4.6652 -4.6652 -4.0679 -4.0679 -4.0679 -4.0679 -4.0100 -4.0100 -4.0100 -4.0100 -0.7671 -0.7671 -0.7671 -0.7671 3.6549 3.6549 3.6549 3.6549 6.8883 6.8883 6.8883 6.8883 7.2656 7.2656 Writing output data file H6C3O.save init_run : 0.24s CPU 0.61s WALL ( 1 calls) electrons : 241.54s CPU 246.74s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.09s WALL ( 1 calls) potinit : 0.03s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 241.53s CPU 246.73s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.01s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.11s WALL ( 352 calls) cegterg : 221.56s CPU 224.21s WALL ( 588 calls) Called by sum_band: Called by *egterg: h_psi : 122.10s CPU 124.21s WALL ( 9412 calls) s_psi : 4.88s CPU 5.01s WALL ( 9412 calls) g_psi : 0.47s CPU 0.44s WALL ( 8472 calls) cdiaghg : 75.90s CPU 76.65s WALL ( 8824 calls) cegterg:over : 12.08s CPU 12.15s WALL ( 8472 calls) cegterg:upda : 11.95s CPU 12.17s WALL ( 8472 calls) cegterg:last : 5.40s CPU 5.37s WALL ( 1292 calls) cdiaghg:chol : 4.57s CPU 4.40s WALL ( 8824 calls) cdiaghg:inve : 2.88s CPU 3.04s WALL ( 8824 calls) cdiaghg:para : 4.66s CPU 4.75s WALL ( 17648 calls) Called by h_psi: h_psi:vloc : 107.38s CPU 109.10s WALL ( 9412 calls) h_psi:vnl : 14.17s CPU 14.55s WALL ( 9412 calls) add_vuspsi : 5.73s CPU 5.64s WALL ( 9412 calls) General routines calbec : 8.42s CPU 8.89s WALL ( 9412 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 99.38s CPU 100.85s WALL ( 1001996 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.27s CPU 0.37s WALL ( 704 calls) Parallel routines fft_scatter : 36.84s CPU 37.80s WALL ( 1002019 calls) PWSCF : 4m26.34s CPU 5m 7.24s WALL This run was terminated on: 16: 2:12 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=